*HEADER   SERINE PROTEINASE INHIBITOR             31-MAR-95   1BIP    
*TITLE    BIFUNCTIONAL PROTEINASE INHIBITOR TRYPSIN/A-AMYLASE FROM    
*TITLE   2 SEEDS OF RAGI (ELEUSINE CORACANA GAERTNERI)                
*COMPND   BIFUNCTIONAL TRYPSIN/ALPHA-AMYLASE INHIBITOR (RBI)          
*COMPND  2 (NMR, 20 STRUCTURES)                                       
*SOURCE   MOLECULE: BIFUNCTIONAL TRYPSIN/ALPHA-AMYLASE INHIBITOR;     
*SOURCE  2 ORGANISM_SCIENTIFIC: ELEUSINE CORACANA GAERTNERI;          
*SOURCE  3 ORGANISM_COMMON: RAGI SEEDS;                               
*SOURCE  4 TISSUE: SEEDS;                                             
*SOURCE  5 EXPRESSION_SYSTEM: ESCHERICHIA COLI JM83;                  
*SOURCE  6 EXPRESSION_SYSTEM_PLASMID: PRBI-PDI                        
*EXPDTA   NMR, 20 STRUCTURES                                          
*AUTHOR   S.STROBL,P.MUEHLHAHN,T.HOLAK                                
*REVDAT  1   10-JUL-95 1BIP    0                                      


!NOE 




! ===========    Intraresidual NOEs          ====================

assign (resid   22 and name  HD1 ) (resid   22 and name   HN ) 3.8   0.3   0.3           
assign (resid   22 and name  HD1 ) (resid   22 and name   HA ) 3.8   0.3   0.3          
assign (resid   22 and name  HE3 ) (resid   22 and name   HA ) 2.3   0.3   0.3         
assign (resid   22 and name  HZ3 ) (resid   22 and name   HA ) 4.2   0.6   0.8           
assign (resid   22 and name  HE1 ) (resid   22 and name   HB2) 4.2   0.6   0.8         





********************Sequential NOEs*****************

! ===========     HN-HN         ====================


assign (resid    2 and name   HN ) (resid    1 and name  HT# ) 2.8   0.3   2.0               
assign (resid    3 and name   HN ) (resid    2 and name   HN ) 3.4   0.3   0.3               
assign (resid    4 and name   HN ) (resid    3 and name   HN ) 4.2   0.6   0.8               
assign (resid    5 and name   HN ) (resid    4 and name   HN ) 2.8   0.3   0.3               
assign (resid    6 and name   HN ) (resid    5 and name   HN ) 4.2   0.6   0.8               
assign (resid    7 and name   HN ) (resid    6 and name   HN ) 4.2   0.6   0.8               
assign (resid    8 and name  HD# ) (resid    7 and name   HN ) 4.2   0.6  50.0               

assign (resid   10 and name   HN ) (resid    9 and name   HN ) 2.8   0.3   0.3               
assign (resid   11 and name   HN ) (resid   10 and name   HN ) 4.2   0.6   0.8               
assign (resid   12 and name   HN ) (resid   11 and name   HN ) 3.8   0.3   0.3               

assign (resid   15 and name   HN ) (resid   14 and name   HN ) 4.2   0.6   0.8               

assign (resid   18 and name   HN ) (resid   17 and name   HN ) 2.9   0.3   0.3               
assign (resid   19 and name   HN ) (resid   18 and name   HN ) 2.8   0.3   0.3               
assign (resid   20 and name   HN ) (resid   19 and name   HN ) 2.8   0.3   0.3               
assign (resid   21 and name   HN ) (resid   20 and name   HN ) 2.8   0.3   0.3               
assign (resid   22 and name   HN ) (resid   21 and name   HN ) 2.8   0.3   0.3               
assign (resid   23 and name   HN ) (resid   22 and name   HN ) 2.8   0.3   0.3               
assign (resid   24 and name   HN ) (resid   23 and name   HN ) 2.8   0.3   0.3               
assign (resid   25 and name   HN ) (resid   24 and name   HN ) 2.8   0.3   0.3               
assign (resid   26 and name   HN ) (resid   25 and name   HN ) 2.8   0.3   0.3               
assign (resid   27 and name   HN ) (resid   26 and name   HN ) 2.8   0.3   0.3              
assign (resid   28 and name   HN ) (resid   27 and name   HN ) 2.8   0.3   0.3               
assign (resid   29 and name   HN ) (resid   28 and name   HN ) 2.8   0.3   0.3               
assign (resid   30 and name   HN ) (resid   29 and name   HN ) 2.3   0.3   0.3               

assign (resid   42 and name   HN ) (resid   41 and name   HN ) 2.8   0.3   0.3               
assign (resid   43 and name   HN ) (resid   42 and name   HN ) 2.8   0.3   0.3                
assign (resid   44 and name   HN ) (resid   43 and name   HN ) 2.8   0.3   0.3      
assign (resid   45 and name   HN ) (resid   44 and name   HN ) 2.8   0.3   0.3               
assign (resid   46 and name   HN ) (resid   45 and name   HN ) 2.8   0.3   0.3               
assign (resid   47 and name   HN ) (resid   46 and name   HN ) 2.8   0.3   0.3               
assign (resid   48 and name   HN ) (resid   47 and name   HN ) 2.8   0.3   0.3               
assign (resid   49 and name   HN ) (resid   48 and name   HN ) 2.8   0.3   0.3               
assign (resid   50 and name   HN ) (resid   49 and name   HN ) 2.8   0.3   0.3               
assign (resid   51 and name   HN ) (resid   50 and name   HN ) 2.8   0.3   0.3               
assign (resid   52 and name  HD# ) (resid   51 and name   HN ) 4.2   0.6   1.8               

assign (resid   54 and name   HN ) (resid   53 and name   HN ) 2.8   0.3   2.0             
assign (resid   55 and name   HN ) (resid   54 and name   HN ) 2.8   0.3   2.0               
assign (resid   56 and name   HN ) (resid   55 and name   HN ) 3.0   0.3   0.3                
assign (resid   57 and name   HN ) (resid   56 and name   HN ) 4.2   0.6   0.8             
assign (resid   58 and name   HN ) (resid   57 and name   HN ) 4.2   0.6   0.8          

assign (resid   59 and name   HN ) (resid   58 and name   HN ) 3.6   0.3   0.3               
assign (resid   60 and name   HN ) (resid   59 and name   HN ) 3.5   0.3   0.3            
assign (resid   61 and name   HN ) (resid   60 and name   HN ) 3.1   0.3   0.3               
assign (resid   62 and name   HN ) (resid   61 and name   HN ) 2.8   0.3   0.3               
assign (resid   63 and name   HN ) (resid   62 and name   HN ) 2.8   0.3   0.3               
assign (resid   64 and name   HN ) (resid   63 and name   HN ) 2.8   0.3   0.3           
assign (resid   65 and name   HN ) (resid   64 and name   HN ) 2.8   0.3   0.3            
assign (resid   66 and name   HN ) (resid   65 and name   HN ) 2.8   0.3   0.3               
assign (resid   67 and name   HN ) (resid   66 and name   HN ) 4.5   2.6   0.8               
assign (resid   68 and name   HN ) (resid   67 and name   HN ) 4.5   0.6   0.8               
assign (resid   69 and name   HN ) (resid   68 and name   HN ) 4.5   0.6   0.8               
assign (resid   70 and name   HN ) (resid   69 and name   HN ) 4.5   0.6   0.8               
assign (resid   71 and name   HN ) (resid   70 and name   HN ) 2.7   0.3   0.3               
assign (resid   72 and name   HN ) (resid   71 and name   HN ) 2.5   0.3   0.3               
assign (resid   73 and name   HN ) (resid   72 and name   HN ) 2.3   0.3   0.3               
assign (resid   74 and name   HN ) (resid   73 and name   HN ) 4.5   0.6   0.8               
assign (resid   75 and name   HN ) (resid   74 and name   HN ) 4.5   0.6   0.8               
assign (resid   76 and name   HN ) (resid   75 and name   HN ) 4.5   0.6   0.8               
assign (resid   77 and name   HN ) (resid   76 and name   HN ) 4.5   0.6   0.8               
assign (resid   78 and name   HN ) (resid   77 and name   HN ) 3.2   0.3   0.3               
assign (resid   79 and name   HN ) (resid   78 and name   HN ) 2.8   0.3   0.3               
assign (resid   80 and name   HN ) (resid   79 and name   HN ) 4.2   0.6   0.8               
assign (resid   81 and name   HN ) (resid   80 and name   HN ) 4.2   0.6  50.0               
assign (resid   82 and name   HN ) (resid   81 and name   HN ) 4.2   0.6   0.8               

assign (resid   85 and name   HN ) (resid   84 and name   HN ) 2.4   0.3   0.3               

assign (resid   88 and name   HN ) (resid   87 and name   HN ) 2.8   0.3   0.3               
assign (resid   89 and name   HN ) (resid   88 and name   HN ) 2.8   0.3   0.3               
assign (resid   90 and name   HN ) (resid   89 and name   HN ) 2.8   0.3   0.3               
assign (resid   91 and name   HN ) (resid   90 and name   HN ) 2.8   0.3   0.3               
assign (resid   92 and name   HN ) (resid   91 and name   HN ) 2.8   0.3   0.3               
assign (resid   93 and name   HN ) (resid   92 and name   HN ) 2.8   0.3   0.3               
assign (resid   94 and name   HN ) (resid   93 and name   HN ) 2.8   0.3   0.3               

assign (resid   97 and name   HN ) (resid   96 and name   HN ) 2.8   0.3   2.0               

assign (resid   98 and name   HN ) (resid   97 and name   HN ) 3.5   0.3   0.3               
assign (resid   99 and name   HN ) (resid   98 and name   HN ) 3.2   0.3   0.3               
assign (resid  100 and name   HN ) (resid   99 and name   HN ) 4.2   0.6   0.8               
assign (resid  101 and name   HN ) (resid  100 and name   HN ) 3.6   0.3   0.3               
assign (resid  102 and name   HN ) (resid  101 and name   HN ) 2.8   0.3   0.3               
assign (resid  103 and name   HN ) (resid  102 and name   HN ) 3.4   0.3   0.3     
assign (resid  104 and name   HN ) (resid  103 and name   HN ) 2.8   0.3   0.3         
assign (resid  105 and name   HN ) (resid  104 and name   HN ) 3.6   0.3   0.3               
assign (resid  106 and name   HN ) (resid  105 and name   HN ) 3.4   0.3   0.3               
assign (resid  107 and name   HN ) (resid  106 and name   HN ) 4.2   0.6  50.0               
assign (resid  108 and name   HN ) (resid  107 and name   HN ) 4.2   0.6  50.0               

assign (resid  109 and name   HN ) (resid  108 and name   HN ) 2.8   0.3   2.0               

assign (resid  110 and name   HN ) (resid  109 and name   HN ) 3.2   0.3   0.3               

assign (resid  111 and name   HN ) (resid  110 and name   HN ) 2.8   0.3   2.0               
assign (resid  112 and name  HD# ) (resid  111 and name   HN ) 2.8   0.3   3.0               

assign (resid  114 and name   HN ) (resid  113 and name   HN ) 4.2   0.6  50.0               
assign (resid  115 and name   HN ) (resid  114 and name   HN ) 4.2   0.6  50.0               
assign (resid  116 and name   HN ) (resid  115 and name   HN ) 2.8   0.3   2.0               
assign (resid  117 and name   HN ) (resid  116 and name   HN ) 2.8   0.3   2.0               
assign (resid  118 and name   HN ) (resid  117 and name   HN ) 2.8   0.3   2.0               
assign (resid  119 and name   HN ) (resid  118 and name   HN ) 3.4   0.3   0.3               
assign (resid  120 and name   HN ) (resid  119 and name   HN ) 2.8   0.3   2.0               
assign (resid  121 and name   HN ) (resid  120 and name   HN ) 3.4   0.3   0.3               

assign (resid  122 and name   HN ) (resid  121 and name   HN ) 2.8   0.3   2.0               


! =========== Seq HN-HA         ====================

assign (resid    2 and name   HN ) (resid    1 and name   HA ) 2.3   0.3   1.5               

assign (resid    3 and name   HN ) (resid    2 and name   HA ) 3.4   0.3   0.3               
assign (resid    4 and name   HN ) (resid    3 and name  HA# ) 2.8   0.3   1.3               
assign (resid    5 and name   HN ) (resid    4 and name   HA ) 2.8   0.3   0.3               
assign (resid    6 and name   HN ) (resid    5 and name   HA ) 2.8   0.3   0.3            
assign (resid    7 and name   HN ) (resid    6 and name   HA ) 2.5   0.3   0.3              
assign (resid    8 and name  HD# ) (resid    7 and name   HA ) 2.5   0.3   1.3               

assign (resid    9 and name   HN ) (resid    8 and name   HA ) 2.8   0.3   0.3               
assign (resid   10 and name   HN ) (resid    9 and name  HA1 ) 3.4   0.3   0.3               
assign (resid   10 and name   HN ) (resid    9 and name  HA2 ) 3.1   0.3   0.3               
assign (resid   11 and name   HN ) (resid   10 and name   HA ) 3.0   0.3   0.3         
assign (resid   12 and name   HN ) (resid   11 and name   HA ) 3.4   0.3   0.3               

assign (resid   13 and name  HD1 ) (resid   12 and name   HN ) 3.9   0.3   0.3               
assign (resid   13 and name  HD2 ) (resid   12 and name   HN ) 4.5   0.6   0.8               
assign (resid   13 and name  HD1 ) (resid   12 and name   HA ) 2.4   0.3   0.3               
assign (resid   13 and name  HD2 ) (resid   12 and name   HA ) 3.0   0.3   0.3               
assign (resid   14 and name   HN ) (resid   13 and name   HA ) 2.3   0.3   0.3               
assign (resid   15 and name   HN ) (resid   14 and name   HA ) 2.8   0.3   0.3               
assign (resid   16 and name  HD1 ) (resid   15 and name   HN ) 2.4   0.3   0.3               
assign (resid   16 and name  HD2 ) (resid   15 and name   HN ) 3.0   0.3   0.3               
assign (resid   16 and name  HD1 ) (resid   15 and name   HA ) 3.0   0.3   0.3               
assign (resid   16 and name  HD2 ) (resid   15 and name   HA ) 2.5   0.3   0.3               
assign (resid   17 and name   HN ) (resid   16 and name   HA ) 2.3   0.3   0.3               
assign (resid   18 and name   HN ) (resid   17 and name   HA ) 3.0   0.3   0.5               
assign (resid   19 and name   HN ) (resid   18 and name   HA ) 3.1   0.3   0.3               
assign (resid   20 and name   HN ) (resid   19 and name   HA ) 3.2   0.3   0.3               
assign (resid   21 and name   HN ) (resid   20 and name   HA ) 3.4   0.3   0.3               
assign (resid   22 and name   HN ) (resid   21 and name   HA ) 3.4   0.3   0.3               
assign (resid   23 and name   HN ) (resid   22 and name   HA ) 3.4   0.3   0.3               
assign (resid   24 and name   HN ) (resid   23 and name   HA ) 3.4   0.3   0.3               
assign (resid   25 and name   HN ) (resid   24 and name   HA ) 3.4   0.3   0.3               
assign (resid   26 and name   HN ) (resid   25 and name   HA ) 3.4   0.3   0.3               
assign (resid   27 and name   HN ) (resid   26 and name   HA ) 3.5   0.3   0.3       

assign (resid   28 and name   HN ) (resid   27 and name   HA ) 3.5   0.3   0.3               
assign (resid   29 and name   HN ) (resid   28 and name   HA ) 3.4   0.3   0.3               

assign (resid   42 and name   HN ) (resid   41 and name   HA ) 3.4   0.3   0.3               
assign (resid   43 and name   HN ) (resid   42 and name   HA ) 3.4   0.3   0.3               
assign (resid   44 and name   HN ) (resid   43 and name   HA ) 3.4   0.3   0.3               
assign (resid   45 and name   HN ) (resid   44 and name   HA ) 3.4   0.3   0.3               
assign (resid   46 and name   HN ) (resid   45 and name   HA ) 3.4   0.3   0.3               
assign (resid   47 and name   HN ) (resid   46 and name   HA ) 3.4   0.3   0.3               
assign (resid   48 and name   HN ) (resid   47 and name   HA ) 3.4   0.3   0.3               
assign (resid   49 and name   HN ) (resid   48 and name   HA ) 3.4   0.3   0.3               
assign (resid   50 and name   HN ) (resid   49 and name   HA ) 3.4   0.3   0.3               
assign (resid   51 and name   HN ) (resid   50 and name   HA ) 3.4   0.3   0.3               
assign (resid   52 and name  HD# ) (resid   51 and name   HA ) 2.3   0.3   1.3               
assign (resid   53 and name   HN ) (resid   52 and name   HA ) 2.3   0.3   0.3               

assign (resid   54 and name   HN ) (resid   53 and name   HA ) 2.3   0.3   1.5               
assign (resid   55 and name   HN ) (resid   54 and name   HA ) 2.3   0.3   1.5               

assign (resid   56 and name   HN ) (resid   55 and name   HA ) 3.7   0.3   0.3               
assign (resid   57 and name   HN ) (resid   56 and name   HA ) 4.2   0.6   0.8               
assign (resid   58 and name   HN ) (resid   57 and name   HA ) 3.9   0.3   0.3               
assign (resid   59 and name   HN ) (resid   58 and name   HA ) 3.5   0.3   0.3               
assign (resid   60 and name   HN ) (resid   59 and name   HA ) 3.1   0.3   0.3               
assign (resid   61 and name   HN ) (resid   60 and name   HA ) 3.4   0.3   0.3               
assign (resid   62 and name   HN ) (resid   61 and name   HA ) 3.4   0.3   0.3               
assign (resid   63 and name   HN ) (resid   62 and name   HA ) 3.4   0.3   0.3               
assign (resid   64 and name   HN ) (resid   63 and name   HA ) 3.4   0.3   0.3               
assign (resid   65 and name   HN ) (resid   64 and name   HA ) 3.4   0.3   0.3               
assign (resid   66 and name   HN ) (resid   65 and name   HA ) 3.4   0.3   0.3               

assign (resid   66 and name  HN  ) (resid   66 and name   HA1) 3.0   0.3   0.3               
assign (resid   66 and name  HN  ) (resid   66 and name   HA2) 2.5   0.3   0.3               
assign (resid   67 and name  HN  ) (resid   66 and name   HA1) 2.7   0.3   0.3               
assign (resid   67 and name  HN  ) (resid   66 and name   HA2) 2.5   0.3   0.3               

assign (resid   68 and name   HN ) (resid   67 and name   HA ) 2.3   0.3   0.3               
assign (resid   69 and name   HN ) (resid   68 and name   HA ) 2.3   0.3   0.3               
assign (resid   70 and name   HN ) (resid   69 and name   HA ) 2.6   0.3   0.3               
assign (resid   71 and name   HN ) (resid   70 and name   HA ) 3.0   0.3   0.3               
assign (resid   72 and name   HN ) (resid   71 and name   HA ) 3.3   0.3   0.3               
assign (resid   73 and name   HN ) (resid   72 and name  HA1 ) 3.7   0.3   0.3               
assign (resid   73 and name   HN ) (resid   72 and name  HA2 ) 3.7   0.3   0.3               
assign (resid   74 and name   HN ) (resid   73 and name   HA ) 2.3   0.3   0.3               
assign (resid   75 and name   HN ) (resid   74 and name   HA ) 2.3   0.3   0.3               
assign (resid   76 and name   HN ) (resid   75 and name   HA ) 2.3   0.3   0.3               

assign (resid   77 and name   HN ) (resid   76 and name  HA1 ) 2.3   0.3   0.3             
assign (resid   77 and name   HN ) (resid   76 and name  HA2 ) 3.0   0.3   0.3              

assign (resid   78 and name   HN ) (resid   77 and name   HA ) 2.8   0.3   0.3               
assign (resid   79 and name   HN ) (resid   78 and name   HA ) 3.4   0.3   0.3               
assign (resid   80 and name   HN ) (resid   79 and name   HA ) 2.2   0.3   0.3               
assign (resid   81 and name   HN ) (resid   80 and name   HA ) 2.2   0.3   0.3               
assign (resid   82 and name   HN ) (resid   81 and name   HA ) 2.2   0.3   0.3     

assign (resid   83 and name  HD1 ) (resid   82 and name   HN ) 4.2   0.6  50.0               
assign (resid   83 and name  HD2 ) (resid   82 and name   HN ) 4.2   0.6  50.0               
assign (resid   83 and name  HD1 ) (resid   82 and name   HA ) 2.2   0.3   0.3               
assign (resid   83 and name  HD2 ) (resid   82 and name   HA ) 3.0   0.3   0.3               

assign (resid   84 and name   HN ) (resid   83 and name   HA ) 2.2   0.3   0.3               

assign (resid   84 and name  HN  ) (resid   84 and name   HA1) 3.0   0.3   0.3               
assign (resid   84 and name  HN  ) (resid   84 and name   HA2) 2.3   0.3   0.3               
assign (resid   85 and name  HN  ) (resid   84 and name   HA1) 3.8   0.3   0.3               
assign (resid   85 and name  HN  ) (resid   84 and name   HA2) 3.4   0.3   0.3               

assign (resid   86 and name  HD1 ) (resid   85 and name   HN ) 3.7   0.3   0.3               
assign (resid   86 and name  HD2 ) (resid   85 and name   HN ) 4.2   0.6   0.8               
assign (resid   86 and name  HD1 ) (resid   85 and name   HA ) 2.8   0.3   0.3               
assign (resid   86 and name  HD2 ) (resid   85 and name   HA ) 2.6   0.3   0.3               

assign (resid   87 and name   HN ) (resid   86 and name   HA ) 2.8   0.3   0.3               
assign (resid   88 and name   HN ) (resid   87 and name   HA ) 3.4   0.3   0.3              
assign (resid   89 and name   HN ) (resid   88 and name   HA ) 3.4   0.3   0.3               
assign (resid   90 and name   HN ) (resid   89 and name   HA ) 3.4   0.3   0.3              
assign (resid   91 and name   HN ) (resid   90 and name   HA ) 3.4   0.3   0.3                    
assign (resid   92 and name   HN ) (resid   91 and name   HA ) 3.4   0.3   0.3               
assign (resid   93 and name   HN ) (resid   92 and name   HA ) 3.4   0.3   0.3               
assign (resid   94 and name   HN ) (resid   93 and name   HA ) 3.4   0.3   0.3               

assign (resid   96 and name   HN ) (resid   95 and name   HA ) 2.3   0.3   1.5               
assign (resid   97 and name   HN ) (resid   96 and name   HA ) 2.3   0.3   1.5               


assign (resid   98 and name   HN ) (resid   97 and name   HA ) 3.4   0.3   0.3               
assign (resid   99 and name   HN ) (resid   98 and name   HA ) 3.4   0.3   0.3               
assign (resid  100 and name   HN ) (resid   99 and name   HA ) 3.0   0.3   0.3               
assign (resid  101 and name   HN ) (resid  100 and name   HA ) 3.2   0.3   0.3               
assign (resid  102 and name   HN ) (resid  101 and name   HA ) 3.4   0.3   0.3               
assign (resid  103 and name   HN ) (resid  102 and name   HA ) 3.4   0.3   0.3              
assign (resid  104 and name   HN ) (resid  103 and name   HA ) 3.4   0.3   0.3               
assign (resid  105 and name   HN ) (resid  104 and name   HA ) 3.5   0.3   0.3               
assign (resid  106 and name   HN ) (resid  105 and name   HA ) 3.0   0.3   0.3             
assign (resid  107 and name   HN ) (resid  106 and name   HA ) 2.5   0.3   0.3             
assign (resid  108 and name   HN ) (resid  107 and name   HA ) 2.8   0.3   0.3               
assign (resid  109 and name   HN ) (resid  108 and name   HA ) 3.4   0.3   0.3               
assign (resid  110 and name   HN ) (resid  109 and name   HA ) 3.5   0.3   0.3               


assign (resid  111 and name   HN ) (resid  110 and name   HA1) 3.5   0.3   0.3               
assign (resid  111 and name   HN ) (resid  110 and name   HA2) 3.0   0.3   0.3               
assign (resid  112 and name  HD# ) (resid  111 and name   HA1) 2.6   0.3   0.3               
assign (resid  112 and name  HD# ) (resid  111 and name   HA2) 2.3   0.3   0.3               

assign (resid  113 and name   HN ) (resid  112 and name   HA ) 2.3   0.3   0.3               
assign (resid  114 and name   HN ) (resid  113 and name   HA ) 2.8   0.3   0.3               
assign (resid  115 and name   HN ) (resid  114 and name   HA ) 2.8   0.3   0.3               


assign (resid  116 and name   HN ) (resid  115 and name   HA ) 2.3   0.3   1.5               

assign (resid  117 and name   HN ) (resid  116 and name   HA ) 3.5   0.3   0.3               
assign (resid  118 and name   HN ) (resid  117 and name   HA ) 3.4   0.3   0.3               
assign (resid  119 and name   HN ) (resid  118 and name   HA ) 3.4   0.3   0.3               
assign (resid  120 and name   HN ) (resid  119 and name  HA# ) 2.8   0.3   1.3               
assign (resid  121 and name   HN ) (resid  120 and name   HA ) 2.8   0.3   0.3               
assign (resid  122 and name   HN ) (resid  121 and name  HA# ) 2.8   0.3   1.3      

! ============================================================================
! =========== Seqential of side chains and other intraresidual ================

!14 
assign (resid   14 and name   HN ) (resid   14 and name   HB1)  3.0   0.3   0.3               
assign (resid   14 and name   HN ) (resid   14 and name   HB2)  2.4   0.3   0.3              
assign (resid   14 and name   HA ) (resid   14 and name   HB1)  2.4   0.3   0.3               
assign (resid   14 and name   HA ) (resid   14 and name   HB2)  3.4   0.3   0.3              
assign (resid   14 and name   HD2) (resid   14 and name   HB1)  3.6   0.3   0.3               
assign (resid   14 and name   HD2) (resid   14 and name   HB2)  2.8   0.3   0.3              
assign (resid   15 and name   HN ) (resid   14 and name   HB1)  3.4   0.3   0.3            
assign (resid   15 and name   HN ) (resid   14 and name   HB2)  4.2   0.6   0.8               

!22
assign (resid   22 and name  HN  ) (resid   22 and name   HB1) 3.6   0.3   0.3               
assign (resid   22 and name  HN  ) (resid   22 and name   HB2) 2.8   0.3   0.3               
assign (resid   22 and name  HA  ) (resid   22 and name   HB1) 2.4   0.3   0.3               
assign (resid   22 and name  HA  ) (resid   22 and name   HB2) 3.4   0.3   0.3               
assign (resid   22 and name  HD1 ) (resid   22 and name   HB1) 3.2   0.3   0.3               
assign (resid   22 and name  HD1 ) (resid   22 and name   HB2) 2.8   0.3   0.3               
assign (resid   22 and name  HE3 ) (resid   22 and name   HB1) 2.4   0.3   0.3               
assign (resid   22 and name  HE3 ) (resid   22 and name   HB2) 3.5   0.3   0.3               

!29
assign (resid   29 and name   HN ) (resid   29 and name   HB1)  3.6   0.3   0.3                
assign (resid   29 and name   HN ) (resid   29 and name   HB2)  2.7   0.3   0.3               
assign (resid   29 and name   HA ) (resid   29 and name   HB1)  2.5   0.3   0.3                
assign (resid   29 and name   HA ) (resid   29 and name   HB2)  3.2   0.3   0.3               
assign (resid   30 and name   HN ) (resid   29 and name   HB1)  4.2   0.6  50.0               
assign (resid   30 and name   HN ) (resid   29 and name   HB2)  3.6   0.3   0.3               

!64 
assign (resid   64 and name   HN ) (resid   64 and name  HB1)  2.5   0.3   0.3               
assign (resid   64 and name   HN ) (resid   64 and name  HB2)  2.3   0.3   0.3               
assign (resid   64 and name   HA ) (resid   64 and name  HB1)  3.4   0.3   0.3               
assign (resid   64 and name   HA ) (resid   64 and name  HB2)  2.4   0.3   0.3               
assign (resid   65 and name   HN ) (resid   64 and name  HB1)  2.6   0.3   0.3               
assign (resid   65 and name   HN ) (resid   64 and name  HB2)  4.2   0.6  50.0               
assign (resid   65 and name   HN ) (resid   64 and name  HG#)  4.2   0.6   1.8               

!65 
assign (resid   65 and name   HN ) (resid   65 and name  HB1)  3.8   0.3   0.3               
assign (resid   65 and name   HN ) (resid   65 and name  HB2)  2.8   0.3   0.3               
assign (resid   65 and name   HA ) (resid   65 and name  HB1)  2.4   0.3   0.3               
assign (resid   65 and name   HA ) (resid   65 and name  HB2)  3.4   0.3   0.3               
assign (resid   66 and name   HN ) (resid   65 and name  HB1)  4.2   0.6  50.0              
assign (resid   66 and name   HN ) (resid   65 and name  HB2)  4.2   0.6   0.8              

!74 
assign (resid   74 and name   HN ) (resid   74 and name  HB1)  3.2   0.3   0.3              
assign (resid   74 and name   HN ) (resid   74 and name  HB2)  2.6   0.3   0.3              
assign (resid   74 and name   HA ) (resid   74 and name  HB1)  2.4   0.3   0.3              
assign (resid   74 and name   HA ) (resid   74 and name  HB2)  3.0   0.3   0.3              
assign (resid   74 and name   HD2) (resid   74 and name  HB1)  4.2   0.6   0.8           
assign (resid   74 and name   HD2) (resid   74 and name  HB2)  3.4   1.0   0.3            
assign (resid   75 and name   HN ) (resid   74 and name  HB1)  2.4   0.3   0.3              
assign (resid   75 and name   HN ) (resid   74 and name  HB2)  3.5   0.3   0.3              

assign (resid   81 and name   HN ) (resid   80 and name  HB1)  2.3   0.3   0.3             
assign (resid   81 and name   HN ) (resid   80 and name  HB2)  3.2   0.3   0.3           

!81
assign (resid   81 and name   HN ) (resid   81 and name  HB1)  3.3   0.3   0.3                
assign (resid   81 and name   HN ) (resid   81 and name  HB2)  2.5   0.3   0.3               
assign (resid   81 and name   HA ) (resid   81 and name  HB1)  2.4   0.3   0.3                
assign (resid   81 and name   HA ) (resid   81 and name  HB2)  3.4   0.3   0.3               
assign (resid   82 and name   HN ) (resid   81 and name  HB1)  3.4   0.3   0.3               
assign (resid   82 and name   HN ) (resid   81 and name  HB2)  4.2   0.6   0.8               

!87
assign (resid   87 and name  HN  ) (resid   87 and name   HB1) 3.3   0.3   0.3               
assign (resid   87 and name  HN  ) (resid   87 and name   HB2) 2.4   0.3   0.3               
assign (resid   87 and name  HA  ) (resid   87 and name   HB1) 2.6   0.3   0.3               
assign (resid   87 and name  HA  ) (resid   87 and name   HB2) 3.2   0.3   0.3               
assign (resid   88 and name  HN  ) (resid   87 and name   HB1) 3.4   0.3   0.3               
assign (resid   88 and name  HN  ) (resid   87 and name   HB2) 2.8   0.3   0.3               
       

assign (resid    5 and name   HN ) (resid    4 and name HG2# )  4.2   0.6   1.8               

assign (resid   11 and name   HN ) (resid   10 and name   HB#)  4.2   0.6   1.8               
assign (resid   11 and name   HN ) (resid   10 and name   HG#)  4.2   0.6   1.8               


!13  
assign (resid   13 and name  HA  ) (resid   13 and name   HB1) 2.2   0.3   0.3               
assign (resid   13 and name  HA  ) (resid   13 and name   HB2) 2.7   0.3   0.3               
assign (resid   14 and name  HN  ) (resid   13 and name   HB1) 3.0   0.3   0.3               
assign (resid   14 and name  HN  ) (resid   13 and name   HB2) 2.4   0.3   0.3               
assign (resid   14 and name  HD2 ) (resid   13 and name   HB1) 4.2   0.6   0.8               
assign (resid   14 and name  HD2 ) (resid   13 and name   HB2) 3.8   0.3   0.3               
assign (resid   14 and name  HD2 ) (resid   13 and name   HA ) 3.5   0.3   0.3               

!18
assign (resid   18 and name   HN ) (resid   18 and name   HB1)  2.5   0.3   0.3               
assign (resid   18 and name   HN ) (resid   18 and name   HB2)  4.0   0.3   0.4               
assign (resid   19 and name   HN ) (resid   18 and name   HB1)  4.2   0.6   0.8               
assign (resid   19 and name   HN ) (resid   18 and name   HB2)  4.2   0.6   0.8                

assign (resid   20 and name   HN ) (resid   19 and name   HB1)  2.8   0.3   0.3               
assign (resid   20 and name   HN ) (resid   19 and name   HB2)  3.5   0.3   0.3               

assign (resid   22 and name   HN ) (resid   21 and name   HB1)  3.4   0.3   2.3               
assign (resid   21 and name  HE  ) (resid   22 and name  HH2 )  4.2   0.6   0.8               
assign (resid   21 and name  HE  ) (resid   22 and name  HZ2 )  4.2   0.6   0.8              

assign (resid   23 and name   HN ) (resid   22 and name   HB1)  4.2   0.6   0.8               

assign (resid   23 and name   HD1) (resid   23 and name   HB#)  2.6   0.3   1.3               
assign (resid   23 and name   HD2) (resid   23 and name   HB#)  2.6   0.3   1.3               

assign (resid   24 and name   HN ) (resid   23 and name   HB1)  3.2   0.3   0.3               
assign (resid   24 and name   HN ) (resid   23 and name  HD# )  2.8   0.3   2.3               
assign (resid   24 and name   HN ) (resid   23 and name  HE# )  4.2   0.6   2.8               
assign (resid   24 and name   HA ) (resid   23 and name  HE# )  4.2   0.6   2.8               

!24
assign (resid   24 and name   HN ) (resid   24 and name   HB )  2.3   0.3   0.3               
assign (resid   24 and name   HN ) (resid   24 and name  HG1#)  4.0   0.6   1.8               
assign (resid   24 and name   HN ) (resid   24 and name  HG2#)  2.0   0.3   1.3               
assign (resid   25 and name   HN ) (resid   24 and name   HB )  2.8   0.3   0.3               
assign (resid   25 and name   HN ) (resid   24 and name  HG1#)  4.0   0.6   1.8               
assign (resid   25 and name   HN ) (resid   24 and name  HG2#)  4.0   0.6   1.8               

assign (resid   27 and name   HN ) (resid   26 and name    HB)  2.8   0.3   0.3               
assign (resid   27 and name   HN ) (resid   26 and name  HG2#)  3.0   0.3   1.3               
assign (resid   27 and name   HA ) (resid   26 and name   HA ) 4.2   0.6   0.8               
assign (resid   27 and name   HA ) (resid   26 and name HG2# ) 4.2   0.6   1.8               
!assign (resid   27 and name  HD# ) (resid   26 and name HG2# ) 4.2   0.6   2.8          

assign (resid   28 and name   HN ) (resid   27 and name   HB#)  3.0   0.3   1.3               

assign (resid   29 and name   HN ) (resid   28 and name    HB)  3.5   0.3   0.3               
assign (resid   29 and name   HN ) (resid   28 and name  HG2#)  4.2   0.3   1.3               



!assign (resid   34 and name   HA ) (resid   33 and name   HA ) 4.2   0.6   0.8         

assign (resid   36 and name   HN ) (resid   35 and name  HB# ) 3.0   0.3   1.3               
assign (resid   36 and name   HN ) (resid   35 and name  HD* ) 3.0   0.3   2.7               

assign (resid   37 and name   HN ) (resid   36 and name  HB#)  2.6   0.3   1.3               

assign (resid   38 and name   HN ) (resid   37 and name   HB)  2.6   0.3   0.3               
assign (resid   38 and name   HN ) (resid   37 and name HG2#)  3.5   0.3   1.3               

assign (resid   39 and name   HN ) (resid   38 and name  HG1)  3.4   0.3   2.3           
!assign (resid   39 and name   HN ) (resid   38 and name  HG2)  3.4   0.3   2.3               

assign (resid   40 and name   HN ) (resid   39 and name  HB1)  2.8   0.3   2.3               
!assign (resid   40 and name   HN ) (resid   39 and name  HB2)  2.8   0.3   2.3               
assign (resid   40 and name   HN ) (resid   39 and name  HG1)  4.2   0.3   2.3               
!assign (resid   40 and name   HN ) (resid   39 and name  HG2)  4.2   0.3   2.3               

assign (resid   41 and name   HN ) (resid   40 and name  HB2)  2.9   0.3   0.3               
assign (resid   41 and name   HN ) (resid   40 and name  HG#)  4.2   0.6   1.8               

assign (resid   42 and name   HN ) (resid   41 and name  HB1)  3.0   0.3   2.3               
!assign (resid   42 and name   HN ) (resid   41 and name  HB2)  3.4   0.3   2.3               

assign (resid   43 and name   HN ) (resid   42 and name  HB#)  2.8   0.3   1.3               

assign (resid   44 and name   HN ) (resid   43 and name  HB1)  3.0   0.3   2.3               
!assign (resid   44 and name   HN ) (resid   43 and name  HB2)  3.0   0.3   2.3               
assign (resid   44 and name   HN ) (resid   43 and name  HD1 ) 4.2   0.6   0.8               
assign (resid   44 and name   HN ) (resid   43 and name  HD2 ) 4.2   0.6   0.8               

assign (resid   45 and name   HN ) (resid   44 and name  HB1)  4.2   0.6   0.8        
assign (resid   45 and name   HN ) (resid   44 and name  HB2)  3.0   0.3   0.3       

assign (resid   46 and name   HN ) (resid   45 and name  HB1)  3.5   0.3   0.3               
assign (resid   46 and name   HN ) (resid   45 and name  HB2)  3.3   0.3   0.3               

assign (resid   47 and name   HN ) (resid   46 and name  HB1)  3.2   0.3   0.3               
assign (resid   47 and name   HN ) (resid   46 and name  HB2)  3.2   0.3   0.3               

assign (resid   48 and name   HN ) (resid   47 and name  HB1)  4.2   0.6   0.8      
assign (resid   48 and name   HN ) (resid   47 and name  HB2)  3.0   0.3   0.3               
assign (resid   48 and name   HN ) (resid   47 and name  HG1)  4.2   0.6   0.8               
assign (resid   48 and name   HN ) (resid   47 and name  HG2)  4.2   0.6   0.8               

assign (resid   49 and name   HN ) (resid   48 and name  HB1)  3.0   0.3   0.3               
assign (resid   49 and name   HN ) (resid   48 and name  HB2)  3.8   0.3   0.3               
!assign (resid   49 and name   HN ) (resid   48 and name  HG )  4.2   0.6   0.8               
!assign (resid   49 and name   HN ) (resid   48 and name  HD*)  2.8   0.3   2.7               
!assign (resid   49 and name   HA ) (resid   48 and name  HD* ) 3.4   0.3   2.7               

assign (resid   50 and name   HN ) (resid   49 and name  HB#)  2.8   0.3   1.3               
assign (resid   50 and name   HN ) (resid   49 and name  HG#)  3.8   0.3   1.3               

assign (resid   51 and name   HN ) (resid   50 and name  HB#)  3.0   0.3   1.3               

!52  
assign (resid   53 and name  HN  ) (resid   52 and name   HB1) 4.2   0.6  50.0               
assign (resid   53 and name  HN  ) (resid   52 and name   HB2) 3.4   0.3   0.3               

!assign (resid   54 and name  HD# ) (resid   53 and name   HN ) 3.8   0.3   1.3               
!assign (resid   54 and name  HD# ) (resid   53 and name   HB#) 4.2   0.6   3.8               

!assign (resid   60 and name   HN ) (resid   59 and name  HB# ) 2.8   0.3   1.3               

!assign (resid   61 and name   HN ) (resid   60 and name  HB )  3.4   0.3   0.3               
!assign (resid   61 and name   HN ) (resid   60 and name  HG*)  4.2   0.6   3.2               

assign (resid   63 and name   HN ) (resid   62 and name HB   ) 3.0   0.3   0.3               
assign (resid   63 and name   HN ) (resid   62 and name HG1# ) 4.2   0.6   1.8               

assign (resid   68 and name   HN ) (resid   67 and name HG1# ) 3.4   0.3   1.3               
assign (resid   68 and name   HN ) (resid   67 and name HG2# ) 2.2   0.3   1.3               

!68
assign (resid   68 and name   HN ) (resid   68 and name  HB  ) 2.3   0.3   0.3               
assign (resid   68 and name   HN ) (resid   68 and name HG2# ) 2.5   0.3   1.3               
assign (resid   68 and name   HN ) (resid   68 and name HG1# ) 3.5   0.3   1.3                
assign (resid   69 and name   HN ) (resid   68 and name  HB  ) 4.0   0.6   0.8               
assign (resid   69 and name   HN ) (resid   68 and name HG2# ) 4.0   0.6   1.8               
assign (resid   69 and name   HN ) (resid   68 and name HG1# ) 2.8   0.3   1.3                

assign (resid   70 and name   HN ) (resid   69 and name  HB  ) 2.3   0.3   0.3               
assign (resid   70 and name   HN ) (resid   69 and name HG2# ) 3.2   0.3   1.3               

assign (resid   71 and name   HN ) (resid   70 and name  HB#)  2.6   0.3   1.3               

assign (resid   72 and name   HN ) (resid   71 and name  HB1)  4.2   0.6   0.8               
assign (resid   72 and name   HN ) (resid   71 and name  HB2)  3.6   0.3   0.3               


!73
assign (resid   73 and name   HN ) (resid   73 and name  HB1)  3.6   0.3   0.3               
assign (resid   73 and name   HN ) (resid   73 and name  HB2)  2.5   0.3   0.3              
assign (resid   74 and name   HN ) (resid   73 and name  HB1)  3.2   1.0   0.3             
assign (resid   74 and name   HN ) (resid   73 and name  HB2)  4.0   0.6   0.8              
assign (resid   74 and name   HD2) (resid   73 and name  HA )  3.2   0.3   0.3           

assign (resid   79 and name   HN ) (resid   78 and name  HB#)  4.2   0.6   1.8               

assign (resid   82 and name   HA ) (resid   81 and name  HA )  4.2   0.6   0.8               

!83
assign (resid   83 and name  HA  ) (resid   83 and name   HB1) 2.2   0.3   0.3               
assign (resid   83 and name  HA  ) (resid   83 and name   HB2) 3.0   0.3   0.3               
assign (resid   84 and name  HN  ) (resid   83 and name   HB1) 4.2   0.6   0.8              
assign (resid   84 and name  HN  ) (resid   83 and name   HB2) 3.8   0.3   0.3             

assign (resid   86 and name   HG#) (resid   85 and name  HA  ) 3.4   0.3   1.3           

!86 
assign (resid   87 and name  HN  ) (resid   86 and name   HB1) 4.2   0.6   0.8               
assign (resid   88 and name  HN  ) (resid   86 and name   HB1) 3.4   0.3   0.3               

assign (resid   88 and name   HN ) (resid   87 and name  HG#)  3.0   0.3   1.3               

assign (resid   89 and name   HN ) (resid   88 and name  HB#)  3.2   0.3   1.3               

!89
assign (resid   89 and name   HN ) (resid   89 and name  HB )  2.0   0.3   0.3               
assign (resid   89 and name   HN ) (resid   89 and name HG1#)  3.0   0.3   1.3               
assign (resid   89 and name   HN ) (resid   89 and name HG2#)  2.1   0.3   1.3               
assign (resid   90 and name   HN ) (resid   89 and name  HB )  3.0   0.3   0.3               
assign (resid   90 and name   HN ) (resid   89 and name HG1#)  3.0   0.3   1.3               
assign (resid   90 and name   HN ) (resid   89 and name HG2#)  3.0   0.3   1.3               
assign (resid   90 and name HE2# ) (resid   89 and name HG1# ) 4.2   0.6   2.8               
assign (resid   90 and name HE2# ) (resid   89 and name HG2# ) 4.2   0.6   2.8               

assign (resid   92 and name   HN ) (resid   91 and name  HB1)  3.2   0.3   0.3               
assign (resid   92 and name   HN ) (resid   91 and name  HB2)  3.8   0.3   0.3               

assign (resid   93 and name   HN ) (resid   92 and name  HB# )  2.8   0.3   1.3               
assign (resid   93 and name  HD# ) (resid   94 and name   HA )  2.3   0.3   2.3           
assign (resid   93 and name  HE# ) (resid   94 and name  HA  )  3.4   0.3   2.3           
assign (resid   93 and name  HD# ) (resid   94 and name  HB# )  4.2   0.6   3.8           

assign (resid   94 and name   HN ) (resid   93 and name  HB1 )  3.2   0.3   0.3               
!assign (resid   95 and name  HD# ) (resid   94 and name   HB#)  3.6   0.3   2.3               

assign (resid   98 and name  HG2#) (resid   99 and name  HN )  4.2   0.6   1.8                

assign (resid   99 and name   HN ) (resid   98 and name  HB )  4.2   0.6   0.8               
assign (resid   99 and name   HN ) (resid   98 and name HG1#)  3.6   0.3   1.3               
assign (resid   99 and name   HN ) (resid   98 and name HG2#)  3.0   0.3   1.3               
assign (resid   99 and name   HA ) (resid   98 and name HG2# ) 3.6   0.6   1.3               

assign (resid  100 and name   HN ) (resid   99 and name  HB )  2.8   0.3   0.3               
assign (resid  100 and name   HN ) (resid   99 and name HG2#)  4.2   0.6   1.8               
!assign (resid  100 and name  HB# ) (resid   99 and name   HA ) 4.2   0.6   1.8               
!assign (resid  100 and name  HG# ) (resid   99 and name   HA ) 4.2   0.6   1.8               
!assign (resid  100 and name  HB# ) (resid   99 and name   HB ) 4.2   0.6   1.8               
!assign (resid  100 and name  HG# ) (resid   99 and name   HB ) 4.2   0.6   1.8               

assign (resid  101 and name   HN ) (resid  100 and name  HB#)  2.8   0.3   1.3               
assign (resid  101 and name   HN ) (resid  100 and name  HG#)  4.2   0.6   1.8               

assign (resid  102 and name   HN ) (resid  101 and name  HG*)  2.8   0.3   2.7       
assign (resid  102 and name   HN ) (resid  101 and name  HB )  4.2   0.6   0.8       
        
assign (resid  103 and name   HN ) (resid  102 and name  HB#)  2.4   0.3   1.3               
!assign (resid  103 and name   HN ) (resid  102 and name  HB2)  2.6   0.3   0.3               

assign (resid  104 and name   HN ) (resid  103 and name  HB1)  4.2   0.6   0.8               
assign (resid  104 and name   HN ) (resid  103 and name  HB2)  4.2   0.6   0.8               

assign (resid  107 and name   HN ) (resid  106 and name  HB# ) 3.6   0.3   1.3               
assign (resid  107 and name   HA ) (resid  108 and name HG2# ) 4.2   0.6   1.8               
assign (resid  107 and name   HB ) (resid  108 and name HG2# ) 3.4   0.3   1.3               

assign (resid  108 and name   HN ) (resid  107 and name  HB )  2.6   0.3   0.3               
assign (resid  108 and name   HN ) (resid  107 and name HG2#)  3.8   0.3   1.3         
!assign (resid  108 and name HG2#) (resid  107 and name HG2#)  3.4   0.3   2.3      

assign (resid  109 and name   HN ) (resid  108 and name HG2#)  2.8   0.3   1.3           
assign (resid  109 and name  HD2 ) (resid  108 and name HG2# ) 2.8   0.3   1.3      
assign (resid  109 and name  HE1 ) (resid  108 and name HG2# ) 3.6   0.3   1.3      

assign (resid  110 and name   HN ) (resid  109 and name  HB1)  4.2   0.6   0.8           
assign (resid  110 and name   HN ) (resid  109 and name  HB2)  4.2   0.6   0.8           


assign (resid  119 and name   HN ) (resid  118 and name  HB1)  3.4   0.3   0.3          
assign (resid  119 and name   HN ) (resid  118 and name  HB2)  4.2   0.6   0.8       

assign (resid  121 and name   HN ) (resid  120 and name  HB#)  3.0   0.3   1.3               


!! NOEs from Loop resid 22 to 41


! ***************************************************************************************
! ************************************* 32 ******************************************

assign (resid   22 and name  HE3 ) (resid   32 and name  HA1)  3.0   0.3   0.3     
assign (resid   22 and name  HE3 ) (resid   32 and name  HA2)  2.0   0.3  50.0       

assign (resid   32 and name  HN  ) (resid   32 and name  HA1 ) 2.6   0.3   0.3    
assign (resid   32 and name  HN  ) (resid   32 and name  HA2 ) 2.3   0.3   0.3    

assign (resid   22 and name  HE3 ) (resid   33 and name  HD1 ) 3.8   0.3   0.4     
assign (resid   22 and name  HE3 ) (resid   33 and name  HD2 ) 3.5   0.3   0.3 

assign (resid   22 and name  HD1 ) (resid   33 and name  HD2 ) 4.2   0.6   0.8    
assign (resid   22 and name  HD1 ) (resid   33 and name  HD1 ) 2.0   0.3  50.0             


assign (resid   30 and name   HN ) (resid   29 and name   HA ) 2.8   0.3   0.3             


assign (resid   30 and name  HN  ) (resid   30 and name HA1  ) 2.9   0.3   0.3          
assign (resid   30 and name  HN  ) (resid   30 and name HA2  ) 2.7   0.3   0.3            
assign (resid   31 and name  HN  ) (resid   30 and name HA1  ) 3.6   0.3   0.3          
assign (resid   31 and name  HN  ) (resid   30 and name HA2  ) 2.9   0.3   0.3           

assign (resid   32 and name   HN ) (resid   31 and name   HA ) 2.5   0.3   0.3        


assign (resid   33 and name  HD2 ) (resid   32 and name   HN ) 4.2   0.6  50.0      
assign (resid   33 and name  HD1 ) (resid   32 and name   HN ) 4.2   0.6  50.0       

assign (resid   33 and name  HD1 ) (resid   32 and name  HA1 ) 3.7   0.3   0.5    
assign (resid   33 and name  HD2 ) (resid   32 and name  HA1 ) 3.1   0.3   0.3     
assign (resid   33 and name  HD1 ) (resid   32 and name  HA2 ) 3.1   0.3   0.3     
assign (resid   33 and name  HD2 ) (resid   32 and name  HA2 ) 2.8   0.3   0.3   

assign (resid   34 and name   HN ) (resid   33 and name   HA ) 2.5   0.3   0.3             

assign (resid   33 and name   HA ) (resid   33 and name   HB1) 2.5   0.3   0.3            
assign (resid   33 and name   HA ) (resid   33 and name   HB2) 3.0   0.3   0.3            
assign (resid   34 and name   HN ) (resid   33 and name   HB1) 3.8   0.3   0.3            
assign (resid   34 and name   HN ) (resid   33 and name   HB2) 3.0   0.3   0.3             

assign (resid   34 and name   HN ) (resid   33 and name   HD1) 4.2   0.6  50.0              
assign (resid   34 and name   HN ) (resid   33 and name   HD2) 4.2   0.6  50.0             


assign (resid   35 and name   HN ) (resid   34 and name   HA ) 2.5   0.3   0.3             

assign (resid   35 and name   HN ) (resid   34 and name   HB1) 4.2   0.6  50.0       
assign (resid   35 and name   HN ) (resid   34 and name   HB2) 4.2   0.6  50.0            

assign (resid   36 and name   HN ) (resid   35 and name   HA ) 2.5   0.3   0.3         
assign (resid   37 and name   HN ) (resid   36 and name   HA ) 2.8   0.3   0.3           
assign (resid   38 and name   HN ) (resid   37 and name   HA ) 3.4   0.3   0.3             
assign (resid   39 and name   HN ) (resid   38 and name   HA ) 3.4   0.3   0.3             
assign (resid   40 and name   HN ) (resid   39 and name   HA ) 3.4   0.3   0.3         
assign (resid   41 and name   HN ) (resid   40 and name   HA ) 3.4   0.3   0.3    
   
assign (resid   31 and name   HN ) (resid   30 and name   HN ) 2.8   0.3   0.3        
assign (resid   32 and name   HN ) (resid   31 and name   HN ) 4.2   0.6   0.8       


assign (resid   35 and name   HN ) (resid   34 and name   HN ) 3.6   0.3   0.3        
assign (resid   36 and name   HN ) (resid   35 and name   HN ) 4.2   0.6   0.8       
assign (resid   37 and name   HN ) (resid   36 and name   HN ) 4.2   0.6   0.8         
assign (resid   38 and name   HN ) (resid   37 and name   HN ) 2.8   0.3   0.3    
assign (resid   39 and name   HN ) (resid   38 and name   HN ) 2.8   0.3   0.3           
assign (resid   40 and name   HN ) (resid   39 and name   HN ) 2.8   0.3   0.3           
assign (resid   41 and name   HN ) (resid   40 and name   HN ) 2.8   0.3   0.3          

!31
assign (resid   31 and name   HN ) (resid   31 and name  HB  )  2.5   0.3   0.3      
assign (resid   31 and name   HN ) (resid   31 and name  HG1#)  4.0   0.6   1.8      
assign (resid   31 and name   HN ) (resid   31 and name  HG2#)  2.8   0.3   1.3        
assign (resid   32 and name   HN ) (resid   31 and name  HB  )  4.0   0.6   0.8       
assign (resid   32 and name   HN ) (resid   31 and name  HG1#)  2.7   0.3   1.3     
assign (resid   32 and name   HN ) (resid   31 and name  HG2#)  3.4   0.3   1.3           


!95
assign (resid   93 and name  HN  ) (resid   95 and name  HD1)  4.2   0.6   0.8     
assign (resid   93 and name  HN  ) (resid   95 and name  HD2)  4.2   0.6  50.0      

assign (resid   94 and name  HN  ) (resid   95 and name  HD1)  2.7   0.3   0.3     
assign (resid   94 and name  HN  ) (resid   95 and name  HD2)  2.4   0.3   0.3    
assign (resid   94 and name  HA  ) (resid   95 and name  HD#)  4.2   0.6  50.0     

assign (resid  113 and name  HD# ) (resid  112 and name  HD#)  3.8   0.3   2.8    
assign (resid  113 and name  HE# ) (resid  112 and name  HD#)  3.4   0.3   2.8 
assign (resid  113 and name  HZ  ) (resid  112 and name  HD#)  4.2   0.6   1.8 



! ===========   NOEs of the disulfid bonds   =================================

assign (resid    6 and name  SG ) (resid   55 and name   SG ) 2.02   0.1   0.1     
assign (resid   20 and name  SG ) (resid   44 and name   SG ) 2.02   0.1   0.1     
assign (resid   29 and name  SG ) (resid   85 and name   SG ) 2.02   0.1   0.1     
assign (resid   45 and name  SG ) (resid  103 and name   SG ) 2.02   0.1   0.1     
assign (resid   57 and name  SG ) (resid  114 and name   SG ) 2.02   0.1   0.1     



!***************Medium range NOEs***************************************


! ==========  NH (i) - NH (i+2)  ==========================

assign (resid   12 and name   HN ) (resid   10 and name   HN ) 2.8   0.3   0.3               

assign (resid   19 and name   HN ) (resid   17 and name   HN ) 4.2   0.6   0.8               
assign (resid   20 and name   HN ) (resid   18 and name   HN ) 4.2   0.6   0.8               
assign (resid   21 and name   HN ) (resid   19 and name   HN ) 4.2   0.6   0.8               
assign (resid   27 and name   HN ) (resid   25 and name   HN ) 4.2   0.6   0.8               

assign (resid   39 and name   HN ) (resid   37 and name   HN ) 4.2   0.6   0.8               
assign (resid   40 and name   HN ) (resid   38 and name   HN ) 4.2   0.6   0.8               
assign (resid   41 and name   HN ) (resid   39 and name   HN ) 4.2   0.6   0.8               
assign (resid   42 and name   HN ) (resid   40 and name   HN ) 4.2   0.6   0.8               
assign (resid   45 and name   HN ) (resid   43 and name   HN ) 4.2   0.6   0.8               
assign (resid   46 and name   HN ) (resid   44 and name   HN ) 4.2   0.6   0.8               
assign (resid   47 and name   HN ) (resid   45 and name   HN ) 4.2   0.6   0.8               
assign (resid   48 and name   HN ) (resid   46 and name   HN ) 4.2   0.6   0.8               
assign (resid   49 and name   HN ) (resid   47 and name   HN ) 4.2   0.6   0.8               
assign (resid   50 and name   HN ) (resid   48 and name   HN ) 4.2   0.6   0.8               
assign (resid   51 and name   HN ) (resid   49 and name   HN ) 4.2   0.6   0.8               

assign (resid   64 and name   HN ) (resid   62 and name   HN ) 4.2   0.6   0.8               
assign (resid   65 and name   HN ) (resid   63 and name   HN ) 4.2   0.6   0.8          
assign (resid   66 and name   HN ) (resid   64 and name   HN ) 4.2   0.6   0.8               

assign (resid   72 and name   HN ) (resid   70 and name   HN ) 4.2   0.6   0.8               
assign (resid   73 and name   HN ) (resid   71 and name   HN ) 3.5   0.3   0.3               

assign (resid   79 and name   HN ) (resid   77 and name   HN ) 4.2   0.6   0.8               

assign (resid   90 and name   HN ) (resid   88 and name   HN ) 4.2   0.6   0.8               
assign (resid   91 and name   HN ) (resid   89 and name   HN ) 4.2   0.6   0.8               
assign (resid   92 and name   HN ) (resid   90 and name   HN ) 4.2   0.6   0.8               

assign (resid  104 and name   HN ) (resid  102 and name   HN ) 3.4   0.3   0.3               



! ==========  Ha (i) - NH (i+2)  ==========================

assign (resid   18 and name   HN ) (resid   16 and name   HA ) 3.5   0.3   0.3               

assign (resid   21 and name   HN ) (resid   19 and name   HA ) 4.2   0.6   0.8               
assign (resid   28 and name   HN ) (resid   26 and name   HA ) 4.2   0.6   0.8               
assign (resid   38 and name   HN ) (resid   36 and name   HA ) 4.2   0.6   0.8               
assign (resid   39 and name   HN ) (resid   37 and name   HA ) 4.2   0.6   0.8               
assign (resid   41 and name   HN ) (resid   39 and name   HA ) 4.2   0.6   0.8               
assign (resid   49 and name   HN ) (resid   47 and name   HA ) 4.2   0.6   0.8              
assign (resid   51 and name   HN ) (resid   49 and name   HA ) 4.2   0.6   0.8               
          
assign (resid   63 and name   HN ) (resid   61 and name   HA ) 4.2   0.6   0.8               
assign (resid   65 and name   HN ) (resid   63 and name   HA ) 4.2   0.6   0.8                

assign (resid   79 and name   HN ) (resid   77 and name   HA ) 3.8   0.3   0.3               

assign (resid   85 and name   HN ) (resid   83 and name   HA ) 3.5   0.3   0.3               

assign (resid   88 and name   HN ) (resid   86 and name   HA ) 4.2   0.6   0.8              

assign (resid   90 and name   HN ) (resid   88 and name   HA ) 4.2   0.6   0.8               
assign (resid   91 and name   HN ) (resid   89 and name   HA ) 4.2   0.6   0.8               
assign (resid   93 and name   HN ) (resid   91 and name   HA ) 4.2   0.6   0.8               
assign (resid   94 and name   HN ) (resid   92 and name   HA ) 4.2   0.6   0.8               

assign (resid  101 and name   HN ) (resid   99 and name   HA ) 4.2   0.6   0.8               
assign (resid  102 and name   HN ) (resid  100 and name   HA ) 4.2   0.6   0.8               

assign (resid  122 and name   HN ) (resid  120 and name   HA ) 2.8   0.3   0.3               


! ==================================================
! ==========  Ha (i) - NH (i+3)  ==========================

assign (resid   20 and name   HN ) (resid   17 and name   HA ) 3.4   0.3   0.3               
assign (resid   21 and name   HN ) (resid   18 and name   HA ) 3.4   0.3   0.3               
assign (resid   23 and name   HN ) (resid   20 and name   HA ) 3.4   0.3   0.3               
assign (resid   24 and name   HN ) (resid   21 and name   HA ) 3.7   0.3   0.3               
assign (resid   25 and name   HN ) (resid   22 and name   HA ) 3.4   0.3   0.3               
assign (resid   26 and name   HN ) (resid   23 and name   HA ) 3.4   0.3   0.3     
assign (resid   27 and name   HN ) (resid   24 and name   HA ) 3.4   0.3   0.3               
assign (resid   28 and name   HN ) (resid   25 and name   HA ) 3.8   0.3   0.3              
assign (resid   29 and name   HN ) (resid   26 and name   HA ) 3.8   0.3   0.3                   

assign (resid   40 and name   HN ) (resid   37 and name   HA ) 3.4   0.3   0.3               
assign (resid   41 and name   HN ) (resid   38 and name   HA ) 3.4   0.3   0.3               
assign (resid   42 and name   HN ) (resid   39 and name   HA ) 3.4   0.3   0.3               
assign (resid   43 and name   HN ) (resid   40 and name   HA ) 3.4   0.3   0.3               
assign (resid   44 and name   HN ) (resid   41 and name   HA ) 3.4   0.3   0.3               
assign (resid   45 and name   HN ) (resid   42 and name   HA ) 3.4   0.3   0.3               
assign (resid   47 and name   HN ) (resid   44 and name   HA ) 3.4   0.3   0.3               
assign (resid   48 and name   HN ) (resid   45 and name   HA ) 3.4   0.3   0.3               
assign (resid   49 and name   HN ) (resid   46 and name   HA ) 3.4   0.3   0.3               
assign (resid   51 and name   HN ) (resid   48 and name   HA ) 3.4   0.3   0.3               


assign (resid   56 and name   HN ) (resid   53 and name   HA ) 4.1   0.6   0.8              
assign (resid   58 and name   HN ) (resid   55 and name   HA ) 4.2   0.6   0.8              
assign (resid   59 and name   HN ) (resid   56 and name   HA ) 4.2   0.6   0.8              
assign (resid   60 and name   HN ) (resid   57 and name   HA ) 3.4   0.3   0.3               
assign (resid   61 and name   HN ) (resid   58 and name   HA ) 3.4   0.3   0.3
assign (resid   62 and name   HN ) (resid   59 and name   HA ) 3.4   0.3   0.3               
assign (resid   63 and name   HN ) (resid   60 and name   HA ) 3.4   0.3   0.3               
assign (resid   65 and name   HN ) (resid   62 and name   HA ) 3.4   0.3   0.3               
assign (resid   66 and name   HN ) (resid   63 and name   HA ) 3.4   0.3   0.3               

assign (resid   72 and name   HN ) (resid   69 and name   HA ) 4.1   0.5   0.5               

assign (resid   90 and name   HN ) (resid   87 and name   HA ) 3.4   0.3   0.3               
assign (resid   91 and name   HN ) (resid   88 and name   HA ) 3.4   0.3   0.3               
assign (resid   92 and name   HN ) (resid   89 and name   HA ) 3.4   0.3   0.3               
assign (resid   93 and name   HN ) (resid   90 and name   HA ) 3.4   0.3   0.3               
assign (resid   94 and name   HN ) (resid   91 and name   HA ) 3.4   0.3   0.3               

assign (resid  102 and name   HN ) (resid   99 and name   HA ) 4.2   0.6   0.8               

! ==========  Ha (i) - Hb (i+3)  ==========================

assign (resid   18 and name   HA ) (resid   21 and name   HB#) 3.4   0.3   1.3               
assign (resid   20 and name   HA ) (resid   23 and name   HB2) 3.5   0.3   0.3               
assign (resid   21 and name   HA ) (resid   24 and name   HB ) 4.2   0.6   0.8             
assign (resid   22 and name   HA ) (resid   25 and name   HB#) 4.2   0.6   1.8               
assign (resid   23 and name   HA ) (resid   26 and name   HB ) 3.2   0.3   0.3              
assign (resid   24 and name   HA ) (resid   27 and name   HB#) 3.8   0.3   1.3               

assign (resid   42 and name  HB# ) (resid   39 and name   HA ) 3.4   0.3   1.3               
assign (resid   43 and name  HB# ) (resid   40 and name   HA ) 3.4   0.3   1.3               
assign (resid   44 and name  HB# ) (resid   41 and name   HA ) 4.2   0.6   1.8               
assign (resid   45 and name  HB# ) (resid   42 and name   HA ) 4.2   0.6   1.8              
assign (resid   46 and name  HB# ) (resid   43 and name   HA ) 3.4   0.3   1.3            
assign (resid   49 and name  HB# ) (resid   46 and name   HA ) 3.4   0.3   1.3             

assign (resid   60 and name   HA ) (resid   63 and name  HB# ) 3.5   0.3   1.3              

assign (resid   91 and name  HB# ) (resid   88 and name   HA ) 3.4   0.3   1.3              
assign (resid   92 and name  HB# ) (resid   89 and name   HA ) 3.0   0.3   1.3               


! ==================================================
! ==========  Ha (i) - NH (I+4)  ==========================

assign (resid   21 and name   HN ) (resid   17 and name   HA ) 4.5   0.6   0.8
assign (resid   24 and name   HN ) (resid   20 and name   HA ) 4.2   0.6   0.8               
assign (resid   26 and name   HN ) (resid   22 and name   HA ) 4.2   0.6   0.8       
assign (resid   27 and name   HN ) (resid   23 and name   HA ) 4.2   0.6   0.8           
assign (resid   29 and name   HN ) (resid   25 and name   HA ) 4.2   0.6   0.8

assign (resid   30 and name   HN ) (resid   26 and name   HA ) 3.6   0.3   0.3             

assign (resid   41 and name   HN ) (resid   37 and name   HA ) 3.6   0.3   0.3               
assign (resid   42 and name   HN ) (resid   38 and name   HA ) 4.2   0.6   0.8               
assign (resid   45 and name   HN ) (resid   41 and name   HA ) 4.2   0.6   0.8           
assign (resid   47 and name   HN ) (resid   43 and name   HA ) 4.2   0.6   0.8         
assign (resid   48 and name   HN ) (resid   44 and name   HA ) 4.2   0.6   0.8           
assign (resid   49 and name   HN ) (resid   45 and name   HA ) 4.2   0.6   0.8           

assign (resid   61 and name   HN ) (resid   57 and name   HA ) 4.2   0.6   0.8               
assign (resid   63 and name   HN ) (resid   59 and name   HA ) 4.2   0.6   0.8
assign (resid   64 and name   HN ) (resid   60 and name   HA ) 4.2   0.6   0.8              
assign (resid   65 and name   HN ) (resid   61 and name   HA ) 3.4   0.3   0.3              
assign (resid   66 and name   HN ) (resid   62 and name   HA ) 3.4   0.3   0.3               

assign (resid   67 and name   HN ) (resid   76 and name   HA#) 4.2   0.6   1.8          

assign (resid   91 and name   HN ) (resid   87 and name   HA ) 4.2   0.6   0.8             
assign (resid   92 and name   HN ) (resid   88 and name   HA ) 4.2   0.6   0.8              

assign (resid  104 and name   HN ) (resid  100 and name   HA ) 3.4   0.3   0.3              

! =========== Other Medium range NOEs  =========================
  
assign (resid   12 and name   HN ) (resid    9 and name   HN ) 4.2   0.6   0.8    

assign (resid   23 and name   HD#) (resid   27 and name HD# )  4.2   0.6   3.8              
assign (resid   23 and name   HE#) (resid   27 and name HD# )  2.8   0.3   3.3              

assign (resid   24 and name  HG1#) (resid   28 and name   HB ) 3.2   0.3   1.3               
assign (resid   24 and name  HG2#) (resid   28 and name   HB ) 4.2   0.6  50.0               

!assign (resid   36 and name   HN ) (resid   39 and name  HB# ) 4.2   0.6   1.8       
!assign (resid   36 and name   HN ) (resid   39 and name  HG# ) 4.2   0.6   1.8        
!assign (resid   37 and name   HN ) (resid   40 and name  HB# ) 4.2   0.6   1.8         
!assign (resid   37 and name   HN ) (resid   40 and name  HG# ) 4.2   0.6  50.0         
assign (resid   38 and name   HN ) (resid   36 and name  HB# ) 3.0   0.3   1.3     

assign (resid   39 and name   HN ) (resid   36 and name   HN ) 4.2   0.6   0.8          

assign (resid   39 and name   HN ) (resid   36 and name  HB# ) 4.2   0.6   1.8           
assign (resid   44 and name   HN ) (resid   42 and name  HB# ) 4.2   0.6   1.8            
assign (resid   45 and name   HN ) (resid   42 and name  HB# ) 4.2   0.6   1.8       
assign (resid   47 and name   HN ) (resid   44 and name  HB1 ) 4.2   0.6   0.8            

assign (resid   56 and name   HN ) (resid   53 and name   HB#) 4.2   0.6   1.8           

assign (resid   69 and name   HN ) (resid   67 and name HG*  ) 4.2   0.6   3.2        
assign (resid   69 and name  HG# ) (resid   67 and name HG*  ) 3.4   0.3   3.7          

assign (resid   71 and name   HN ) (resid   69 and name   HB ) 3.0   0.3   0.3         

assign (resid   72 and name   HN ) (resid   69 and name   HN ) 4.2   0.6   0.8      
assign (resid   72 and name   HN ) (resid   69 and name   HB ) 4.2   0.6   0.8       
assign (resid   73 and name   HN ) (resid   70 and name   HN ) 4.2   0.6   0.8      

assign (resid   73 and name   HN ) (resid   71 and name   HB1) 4.2   0.6   0.8        
assign (resid   73 and name   HN ) (resid   71 and name   HB2) 4.2   0.6   0.8

assign (resid   85 and name  HN  ) (resid   82 and name HN   ) 3.3   0.3   0.3     

assign (resid   87 and name   HA ) (resid   90 and name HE2# ) 3.4   0.3   1.3       

assign (resid   91 and name   HN ) (resid   89 and name HG1# ) 4.2   0.6   1.8          
assign (resid   91 and name   HN ) (resid   89 and name HG2# ) 4.2   0.6   1.8         

assign (resid   92 and name   HN ) (resid   89 and name HG*  ) 4.2   0.6   3.2               


assign (resid   97 and name   HN ) (resid   99 and name HG2# ) 3.8   0.3   1.3               


assign (resid  101 and name   HN ) (resid   99 and name   HB ) 3.4   0.3   0.3             
assign (resid  101 and name   HN ) (resid   99 and name HG2# ) 3.4   0.3   1.3           


assign (resid  104 and name   HN ) (resid  102 and name  HB# ) 3.8   0.3   1.3        

assign (resid  106 and name   HN ) (resid  104 and name  HD# ) 4.2   0.6   1.8          

assign (resid  109 and name   HN ) (resid  107 and name   HA ) 4.2   0.6   0.8            
assign (resid  109 and name   HN ) (resid  107 and name   HB ) 4.2   0.6   0.8        

assign (resid  113 and name  HD# ) (resid  117 and name HD1# ) 2.8   0.3   3.3                
assign (resid  113 and name  HE# ) (resid  117 and name HD1# ) 2.8   0.3   3.3                
assign (resid  113 and name   HZ ) (resid  117 and name HD1# ) 4.2   0.6   1.8                
assign (resid  113 and name  HD# ) (resid  117 and name HD2# ) 2.8   0.3   3.3                
assign (resid  113 and name  HE# ) (resid  117 and name HD2# ) 2.8   0.3   3.3                
assign (resid  113 and name   HZ ) (resid  117 and name HD2# ) 4.2   0.6   1.8                

assign (resid  122 and name   HN ) (resid  120 and name  HB# ) 3.4   0.3   1.3    

!*********************Long Range NOEs ********************************
!In oder of residue

assign (resid    6 and name  HB1 ) (resid   55 and name  HB1 ) 3.5   0.3   0.3              
assign (resid    7 and name   HN ) (resid   12 and name  HD# ) 4.2   0.6   1.8      
!assign (resid    7 and name   HN ) (resid   12 and name  HN  ) 4.2   0.6   0.8              

assign (resid    9 and name   HN ) (resid   13 and name   HA ) 3.4   0.3   0.3        

assign (resid   14 and name  HN  ) (resid    9 and name HN   ) 4.2   0.6   0.8     
assign (resid   14 and name  HD2 ) (resid    9 and name  HA1 ) 3.8   0.3   0.3     
assign (resid   14 and name  HD2 ) (resid    9 and name  HA2 ) 3.0   0.3   0.3    
assign (resid   14 and name  HE1 ) (resid    9 and name  HA1 ) 4.2   0.6   0.8   
assign (resid   14 and name  HE1 ) (resid    9 and name  HA2 ) 4.2   0.6   0.8    
assign (resid   14 and name  HE1 ) (resid   69 and name   HA ) 3.4   0.3   0.3       
assign (resid   14 and name  HE1 ) (resid   69 and name   HB ) 4.2   0.6   0.8    
assign (resid   14 and name  HE1 ) (resid   69 and name  HG2#) 3.2   0.3   1.3          
assign (resid   14 and name  HE1 ) (resid   70 and name  HB# ) 4.2   0.6   1.8    

assign (resid   15 and name HD2# ) (resid   18 and name  HB# ) 4.2   0.6   2.8        

assign (resid   17 and name  HA  ) (resid   44 and name HA   ) 4.2   0.6   0.8      

assign (resid   18 and name   HN ) (resid   47 and name HE21 ) 3.4   0.3   0.3     
assign (resid   18 and name   HN ) (resid   47 and name HE22 ) 3.4   0.3   0.3     

assign (resid   19 and name   HN ) (resid   47 and name HE21 ) 3.4   0.3   0.3        
assign (resid   19 and name   HN ) (resid   47 and name HE22 ) 3.4   0.3   0.3        
assign (resid   19 and name   HN ) (resid   44 and name   HA ) 4.2   0.6   0.8    

assign (resid   21 and name   HE ) (resid   82 and name HD2# ) 4.2   0.6   1.8              

assign (resid   22 and name  HD1 ) (resid   19 and name   HA ) 3.6   0.3   0.3    

assign (resid   22 and name  HE3 ) (resid   82 and name  HD1#) 3.4   0.3   1.3               
assign (resid   22 and name  HE3 ) (resid   82 and name  HD2#) 4.2   0.6   1.8               
assign (resid   22 and name  HZ2 ) (resid   82 and name  HD1#) 4.2   0.6   1.8               
assign (resid   22 and name  HZ2 ) (resid   82 and name  HD2#) 3.8   0.3   1.3              
assign (resid   22 and name  HD1 ) (resid   82 and name  HD1#) 4.2   0.6  50.0              
assign (resid   22 and name  HD1 ) (resid   82 and name  HD2#) 4.2   0.6  50.0              
assign (resid   22 and name  HH2 ) (resid   82 and name  HD1#) 3.7   0.3   1.3               
assign (resid   22 and name  HH2 ) (resid   82 and name  HD2#) 2.6   0.3   1.3                
assign (resid   22 and name  HZ3 ) (resid   82 and name  HD1#) 2.4   0.3   1.3               
assign (resid   22 and name  HZ3 ) (resid   82 and name  HD2#) 2.6   0.3   1.3              


!assign (resid   22 and name  HH2 ) (resid   82 and name   HA ) 4.2   0.6   0.8    
!assign (resid   22 and name  HZ3 ) (resid   82 and name   HA ) 4.2   0.6   0.8    

assign (resid   23 and name  HD# ) (resid   20 and name   HA ) 2.8   0.3   2.3   
assign (resid   23 and name  HD# ) (resid   40 and name   HN ) 4.2   0.6   2.8      
assign (resid   23 and name  HD# ) (resid   40 and name   HA ) 4.2   0.6   2.8        
assign (resid   23 and name  HD# ) (resid   40 and name  HB1 ) 3.0   0.3   2.3        
assign (resid   23 and name  HD# ) (resid   40 and name  HB2 ) 3.0   0.3   2.3              
assign (resid   23 and name  HD# ) (resid   40 and name  HG# ) 3.4   0.3   3.3      
assign (resid   23 and name  HD# ) (resid   37 and name HG2# ) 2.8   0.3   3.3         

assign (resid   23 and name  HE# ) (resid   37 and name HG2# ) 2.3   0.3   3.3      
assign (resid   23 and name  HE# ) (resid   41 and name   HA ) 3.2   0.3   2.3              
assign (resid   23 and name  HE# ) (resid   41 and name  HB2 ) 2.8   0.3   2.3              
assign (resid   23 and name  HE# ) (resid   41 and name  HB1 ) 3.4   0.3   2.3              
assign (resid   23 and name  HD# ) (resid   41 and name   HA ) 4.2   0.6   2.8              

assign (resid   23 and name  HE# ) (resid   93 and name   HZ ) 4.2   0.6   2.8              
assign (resid   23 and name  HE# ) (resid   93 and name  HE# ) 3.4   0.3   4.3              
assign (resid   23 and name  HD# ) (resid   37 and name   HA ) 4.2   0.6   2.8             
assign (resid   23 and name  HE# ) (resid   37 and name   HA ) 4.2   0.6   2.8              
assign (resid   23 and name  HE# ) (resid   37 and name   HB ) 4.2   0.6   2.8              

assign (resid   24 and name  HA  ) (resid   93 and name HD#  ) 2.8   0.3   2.3     
assign (resid   24 and name  HA  ) (resid   93 and name HE#  ) 2.8   0.3   2.3     


!assign (resid   24 and name HN   ) (resid   93 and name  HA  ) 3.8   0.3   0.3         
assign (resid   24 and name HG1# ) (resid   93 and name  HD# ) 2.3   0.3   3.3          
assign (resid   24 and name HG2# ) (resid   93 and name  HD# ) 2.1   0.3   3.3            
assign (resid   24 and name HG1# ) (resid   93 and name  HE# ) 3.4   0.3   3.3              
assign (resid   24 and name HG2# ) (resid   93 and name  HE# ) 2.8   0.3   3.3              
assign (resid   24 and name HG1# ) (resid   94 and name   HN ) 4.2   0.6   1.8              
assign (resid   24 and name HG2# ) (resid   94 and name   HN ) 4.2   0.6   1.8              

assign (resid   26 and name HG2# ) (resid   23 and name  HE# ) 3.4   0.3   3.3         
assign (resid   26 and name HG2# ) (resid   23 and name  HD# ) 3.4   0.3   3.3         
assign (resid   26 and name HG2# ) (resid   37 and name HG2# ) 3.4   0.3   2.3         

assign (resid   27 and name  HD# ) (resid   37 and name  HG2#) 4.2   0.6   2.8              
assign (resid   27 and name  HE  ) (resid   37 and name  HG2#) 4.2   0.6   1.8              
!assign (resid   27 and name   HA ) (resid   85 and name  HB# ) 3.4   0.3   2.3          

assign (resid   30 and name   HN ) (resid   26 and name HG2# ) 4.2   0.6   1.8            

assign (resid   31 and name   HN ) (resid   26 and name   HA ) 2.5   0.3   0.3         
assign (resid   31 and name  HN  ) (resid   26 and name HG2# ) 4.2   0.6   1.8     

assign (resid   37 and name   HN ) (resid   26 and name HG2# ) 4.2   0.6   1.8         
assign (resid   37 and name HG2# ) (resid   23 and name  HE# ) 2.8   0.3   3.3            
assign (resid   37 and name HG2# ) (resid   23 and name  HD# ) 3.4   0.3   3.3            

!assign (resid   40 and name   HN ) (resid   26 and name HG2#)  4.2   0.6   1.8        
assign (resid   40 and name   HN ) (resid   23 and name  HD# ) 3.8   0.3   2.3        
!assign (resid   40 and name   HN ) (resid   36 and name  HB# ) 3.8   0.3   1.3         

assign (resid   41 and name   HN ) (resid   23 and name  HD# ) 3.4   0.3   2.3          
assign (resid   41 and name   HN ) (resid   23 and name  HE# ) 3.4   0.3   2.3         

assign (resid   43 and name   HN ) (resid   39 and name   HA ) 4.2   0.6   0.8          

assign (resid   44 and name   HA ) (resid   19 and name  HB# ) 4.2   0.6   1.8          
assign (resid   44 and name   HA ) (resid   20 and name   HA ) 4.2   0.6   0.8        
assign (resid   44 and name  HB# ) (resid   20 and name   HA ) 4.2   0.6   1.8          

assign (resid   48 and name   HN ) (resid   17 and name  HD* ) 3.4   0.3   2.7       

assign (resid 50 and name    HN  ) (resid  105 and name HD* )  4.2   0.6   3.2              

assign (resid   54 and name  HD# ) (resid  108 and name HG2# ) 4.2   0.6   3.8         
assign (resid   54 and name  HE# ) (resid  108 and name HG2# ) 4.2   0.6   3.8           
 
assign (resid   59 and name  HN  ) (resid   12 and name HD#)   4.2   0.6   1.8               

assign (resid   62 and name   HA ) (resid   67 and name   HG* ) 4.2   0.6   1.8            

assign (resid   65 and name   HA ) (resid   77 and name   HA ) 4.2   0.6   0.8      
assign (resid   65 and name   HA ) (resid   77 and name  HB# ) 4.2   0.6   1.8               
assign (resid   65 and name   HN ) (resid   77 and name  HA ) 4.2   0.6   0.8              

assign (resid   66 and name   HN ) (resid   62 and name   HN ) 4.2   0.6   0.8          
assign (resid   66 and name   HN ) (resid   77 and name   HA ) 4.2   0.6   0.8           
assign (resid   66 and name   HN ) (resid   77 and name   HN ) 4.2   0.6   0.8          

assign (resid   67 and name   HN ) (resid   62 and name   HA ) 3.8   0.3   0.3      
assign (resid   67 and name   HN ) (resid   75 and name   HN ) 3.4   0.3   0.3            
assign (resid   67 and name   HN ) (resid   75 and name   HA ) 4.2   0.6   0.8         
assign (resid   67 and name   HN ) (resid   74 and name   HA ) 4.2   0.6   0.8               

!assign (resid   68 and name   HA ) (resid   74 and name  HB2 ) 4.2   0.6   2.8           
assign (resid   68 and name   HA ) (resid   74 and name  HD2 ) 4.2   0.6   0.8            

assign (resid   69 and name   HN ) (resid   74 and name   HA ) 3.2   0.3   0.3    

assign (resid   72 and name  HN ) (resid   68 and name   HG1# ) 3.2   0.3   1.3    
!assign (resid   72 and name  HA# ) (resid   68 and name HG2# ) 2.8   0.3   3.3       

!Tad assign (resid   73 and name   HN ) (resid   69 and name   HN ) 3.2   0.3   0.3          
assign (resid   73 and name   HN ) (resid   68 and name  HG1#) 4.2   0.6   1.8    


!assign (resid   74 and name  HN ) (resid   68 and name  HG1# ) 4.2   0.6   1.8              
!assign (resid   74 and name  HN ) (resid   68 and name  HG2# ) 4.2   0.6   1.8              
!assign (resid   74 and name   HA ) (resid   73 and name   HA ) 4.2   0.6   0.8              
assign (resid   74 and name   HA ) (resid   68 and name   HA ) 2.3   0.3   0.3               
assign (resid   74 and name   HA ) (resid   68 and name HG1# ) 4.1   0.6   1.8               
assign (resid   74 and name   HA ) (resid   68 and name HG2# ) 3.3   0.3   1.3                
assign (resid   74 and name  HD2 ) (resid   68 and name HG1# ) 3.4   0.3   1.3                
assign (resid   74 and name  HD2 ) (resid   68 and name HG2# ) 2.5   0.3   1.3               
assign (resid   74 and name  HE1 ) (resid   68 and name HG2# ) 2.8   0.3   1.3               

!assign (resid   75 and name   HN ) (resid   62 and name HG1# ) 4.2   0.6   1.8     
assign (resid   75 and name   HN ) (resid   62 and name HG2# ) 4.2   0.6   1.8     

assign (resid   75 and name   HN ) (resid   69 and name HG2# ) 4.2   0.6   1.8          
!assign (resid   75 and name   HN ) (resid   68 and name   HB ) 4.2   0.6   0.8      
assign (resid   75 and name   HN ) (resid   68 and name   HA ) 3.4   0.3   0.3               
!assign (resid   75 and name   HN ) (resid   68 and name HG1# ) 3.8   0.3   3.3            
!assign (resid   75 and name   HN ) (resid   68 and name HG2# ) 3.4   0.3   3.3            

assign (resid   75 and name   HN ) (resid   67 and name   HN ) 2.8   0.3   0.3         
assign (resid   75 and name   HN ) (resid   67 and name  HG1#) 3.4   0.3   1.3         
assign (resid   75 and name   HN ) (resid   67 and name  HG2#) 4.2   0.6   1.8            

assign (resid   76 and name   HN ) (resid   67 and name  HG1#) 4.2   0.6   1.8         
assign (resid   76 and name   HN ) (resid   67 and name  HG2#) 4.2   0.6  50.0           

assign (resid   77 and name   HN ) (resid   66 and name   HN ) 4.2   0.6   0.8       

assign (resid   77 and name   HN ) (resid   66 and name  HA1 ) 4.2   0.6   0.8          
assign (resid   77 and name   HN ) (resid   66 and name  HA2 ) 2.8   0.3   0.3        


!assign (resid   77 and name   HN ) (resid   62 and name   HA ) 4.2   0.6   0.8       

assign (resid   66 and name   HN ) (resid   76 and name   HA1) 4.2   0.6   0.8     
assign (resid   66 and name   HN ) (resid   76 and name   HA2) 4.5   0.4  50.0     

assign (resid   81 and name   HN ) (resid   87 and name   HA ) 4.2   0.6   0.8     
assign (resid   81 and name   HN ) (resid   87 and name  HD1 ) 4.2   0.6   0.8      
assign (resid   81 and name   HN ) (resid   87 and name  HD2 ) 4.2   0.6   0.8     
assign (resid   81 and name   HA ) (resid   90 and name HE2# ) 4.2   0.6   1.8       
assign (resid   81 and name   HA ) (resid   86 and name   HA ) 2.3   0.3   0.3           
assign (resid   81 and name   HN ) (resid   86 and name   HA ) 4.2   0.6   0.8           

assign (resid   82 and name   HN ) (resid   86 and name   HA ) 3.4   0.3   0.3    
assign (resid   82 and name   HN ) (resid   90 and name HE21 ) 4.2   0.6   0.8     
assign (resid   82 and name   HN ) (resid   90 and name HE22 ) 4.2   0.6   0.8           

assign (resid   85 and name   HA ) (resid   29 and name HB#  ) 3.8   0.3   1.3       

assign (resid   85 and name   HA ) (resid   89 and name HG1# ) 3.8   0.3   1.3           
assign (resid   85 and name   HA ) (resid   89 and name HG2# ) 3.4   0.3   1.3    
assign (resid   85 and name   HA ) (resid   89 and name   HB ) 3.4   0.3   0.3     

assign (resid   86 and name  HD1 ) (resid   89 and name  HG* ) 4.2   0.6   3.2           
assign (resid   86 and name  HD2 ) (resid   89 and name  HG* ) 4.2   0.6   3.2          

assign (resid   87 and name   HN ) (resid   82 and name   HN ) 4.2   0.6   0.8          
assign (resid   87 and name   HN ) (resid   81 and name   HN ) 4.2   0.6   0.8            
assign (resid   87 and name   HN ) (resid   81 and name   HA ) 3.4   0.3   0.3          
assign (resid   87 and name   HN ) (resid   80 and name   HA ) 4.2   0.6   0.8        

assign (resid   88 and name   HN ) (resid   81 and name   HN ) 4.2   0.6  50.0      

assign (resid   90 and name  HE2#) (resid   82 and name  HD1#) 4.2   0.6   2.8                

assign (resid   91 and name  HE ) (resid   64 and name   HB1 ) 4.2   0.6   0.8              
assign (resid   91 and name  HE ) (resid   64 and name   HB2 ) 4.2   0.6  50.0              
assign (resid   91 and name  HE ) (resid   64 and name   HG# ) 3.8   0.3   1.3              
assign (resid   91 and name  HH*) (resid   65 and name   HA  ) 4.0   0.6   3.2               


assign (resid   93 and name  HD# ) (resid   27 and name   HB#) 2.9   0.3   3.3    
assign (resid   93 and name  HD# ) (resid   27 and name   HG#) 3.8   0.3   3.3            
assign (resid   93 and name  HE# ) (resid   27 and name   HB#) 3.2   0.3   3.3        
assign (resid   93 and name  HE# ) (resid   27 and name   HG#) 3.6   0.3   3.3       
assign (resid   93 and name  HZ# ) (resid   27 and name   HB#) 2.9   0.3   3.3     
assign (resid   93 and name  HZ# ) (resid   27 and name   HG#) 3.2   0.3   3.3     
assign (resid   93 and name  HD# ) (resid   28 and name HG2# ) 2.8   0.3   3.3        
assign (resid   93 and name  HE# ) (resid   28 and name HG2# ) 3.5   0.3   3.3      

assign (resid  93 and name   HB1 ) (resid   24 and name HG1# ) 3.6   0.3   1.3               
assign (resid  93 and name   HB2 ) (resid   24 and name HG2# ) 4.2   0.6  50.0               
assign (resid  93 and name   HB1 ) (resid   28 and name HG2# ) 3.4   0.3   1.3               
assign (resid  93 and name   HB2 ) (resid   28 and name HG2# ) 3.0   0.3   1.3               

assign (resid   98 and name   HA ) (resid  103 and name  HB# ) 4.2   0.6   1.8              
assign (resid   98 and name   HA ) (resid  103 and name  HN  ) 3.0   0.3   0.3              

assign (resid   99 and name   HN ) (resid  104 and name  HB# ) 3.4   0.3   1.3              
assign (resid   99 and name   HA ) (resid  112 and name   HA ) 3.4   0.3   0.3     
assign (resid   99 and name   HA ) (resid  112 and name  HB1 ) 3.4   0.3   0.3        
assign (resid   99 and name   HA ) (resid  112 and name  HB2 ) 4.2   0.6   0.8              
assign (resid   99 and name   HA ) (resid  112 and name  HG# ) 4.2   0.6   1.8              
assign (resid   99 and name   HB ) (resid  112 and name  HB1 ) 4.2   0.6   0.8       

assign (resid  100 and name   HN ) (resid  104 and name HB#  ) 4.2   0.6   1.8     

assign (resid  103 and name   HN ) (resid   48 and name HD1# ) 4.2   0.6   1.8     
assign (resid  103 and name   HN ) (resid   48 and name HD2# ) 4.2   0.6   1.8     
assign (resid  103 and name  HB1 ) (resid   48 and name HD1# ) 3.4   0.3   1.3    
assign (resid  103 and name  HB1 ) (resid   48 and name HD2# ) 3.4   0.3   1.3        
assign (resid  103 and name  HB2 ) (resid   48 and name HD1# ) 3.4   0.3   1.3         
assign (resid  103 and name  HB2 ) (resid   48 and name HD2# ) 3.4   0.3   1.3     


assign (resid  105 and name   HN ) (resid  100 and name   HA ) 4.2   0.6   0.8          
assign (resid  105 and name   HN ) (resid  112 and name   HA ) 4.2   0.6  50.0          

assign (resid  107 and name   HA ) (resid   53 and name   HA ) 3.4   0.3   0.3           
assign (resid  107 and name   HA ) (resid   98 and name HG1# ) 4.2   0.6   1.8        
assign (resid  107 and name   HN ) (resid  112 and name   HA ) 4.2   0.6   0.8           

assign (resid  107 and name   HB ) (resid   98 and name HG1# ) 3.8   0.3   1.3              
assign (resid  107 and name  HG2#) (resid   98 and name HG1# ) 2.5   0.3   2.3              
assign (resid  107 and name  HG2#) (resid   98 and name HB   ) 3.4   0.3   1.3              

assign (resid  107 and name   HA ) (resid  104 and name HD21 )  4.2   0.6  50.0              
assign (resid  107 and name   HA ) (resid  104 and name HD22 )  4.2   0.6  50.0              
assign (resid  107 and name   HA ) (resid   54 and name HB#  )  4.2   0.6  50.0              
assign (resid  107 and name   HA ) (resid   54 and name HD#  )  4.2   0.6  50.0              
assign (resid  107 and name   HA ) (resid   54 and name HE#  )  4.2   0.6  50.0              

assign (resid  109 and name  HB# ) (resid  113 and name  HD# ) 4.2   0.6   3.8           
assign (resid  109 and name  HB# ) (resid  113 and name  HE# ) 3.2   0.3   3.3              
assign (resid  109 and name  HB# ) (resid  113 and name  HZ  ) 4.2   0.6   1.8             
assign (resid  109 and name  HD2 ) (resid  113 and name  HE# ) 4.2   0.6   2.8           
assign (resid  109 and name  HE1 ) (resid  113 and name  HD# ) 4.2   0.6   2.8            
assign (resid  109 and name  HE1 ) (resid  113 and name  HE# ) 4.2   0.6   2.8             
assign (resid  109 and name  HE1 ) (resid  114 and name   HA ) 4.2   0.6   0.8        
assign (resid  109 and name  HD2 ) (resid  114 and name  HB1 ) 3.4   0.3   0.3            
assign (resid  109 and name  HD2 ) (resid  114 and name  HB2 ) 3.4   0.3   0.3            
assign (resid  109 and name  HD2 ) (resid  114 and name   HA ) 2.8   0.3   0.3             

assign (resid  112 and name   HA ) (resid   98 and name  HB  ) 4.2   0.6   0.8            
assign (resid  112 and name   HA ) (resid   98 and name HG2# ) 4.2   0.6   1.8             
assign (resid  112 and name   HA ) (resid  106 and name   HA ) 3.8   0.3   0.3           
assign (resid  112 and name   HA ) (resid   99 and name   HA ) 4.2   0.6   0.8               

assign (resid  113 and name   HN ) (resid   99 and name   HA ) 4.2   0.6   0.8          
assign (resid  113 and name   HN ) (resid  106 and name   HA ) 4.2   0.6   0.8            
!assign (resid  113 and name   HN ) (resid   98 and name HG1# ) 3.4   0.3   3.3        
assign (resid  113 and name   HN ) (resid  107 and name HG2# ) 3.0   0.3   0.3     
!assign (resid  113 and name   HN ) (resid   98 and name   HB ) 4.2   0.6   0.8          
assign (resid  113 and name  HD# ) (resid  109 and name   HA ) 4.2   0.6   2.8              
assign (resid  113 and name  HE# ) (resid  109 and name   HA ) 3.4   0.3   2.3            
assign (resid  113 and name   HZ ) (resid  109 and name   HA ) 4.2   0.6   0.8          
assign (resid  113 and name  HD# ) (resid  109 and name  HD2 ) 3.4   0.3   2.3       

assign (resid  114 and name   HN ) (resid   99 and name HG2# ) 4.2   0.6   1.8       
assign (resid  114 and name   HN ) (resid   98 and name HG2# ) 4.2   0.6   1.8             
assign (resid  114 and name   HA ) (resid  108 and name HG2# ) 4.2   0.6   1.8             
assign (resid  114 and name   HA ) (resid  107 and name HG2# ) 4.2   0.6   1.8         

assign (resid  115 and name   HN ) (resid  109 and name  HD2 ) 3.8   0.3   0.3     

!================= NOEs with overlapp ===================
assign (resid   15 and name  HD2#) (resid   18 and name  HB1)  4.2   0.6   1.8              
assign (resid   15 and name  HD2#) (resid   18 and name  HB2)  4.2   0.6   1.8              

assign (resid   15 and name  HN  ) (resid  75 and name   HB1)  4.2   0.6   0.8               
assign (resid   15 and name  HN  ) (resid  75 and name   HG#)  4.2   0.6   1.8               

assign (resid   76 and name  HN  ) (resid  16 and name   HD2)  4.2   0.6   0.8               
assign (resid    76 and name  HN ) (resid  15 and name HA   )  4.2   0.6   0.8      
assign (resid    76 and name  HN ) (resid  78 and name HD1# )  3.6   0.3   1.3      


!assign (resid   23 and name  HE# ) (resid   38 and name  HA  ) 4.2   0.6   0.8          


!assign (resid   51 and name   HN ) (resid   56 and name   HA ) 4.2   0.6   0.8               

!assign (resid   54 and name  HE# ) (resid  117 and name HA   ) 4.2   0.6   2.8     

!assign (resid   73 and name  HN  ) (resid   69 and name HG2# ) 3.4   0.3   1.3     

!assign (resid   84 and name  HN  ) (resid   83 and name HB#  ) 3.8   0.3   1.3     

!assign (resid  107 and name  HA  ) (resid   98 and name  HG* ) 4.2   0.6   3.8               

!assign (resid  109 and name  HD2 ) (resid  117 and name HD1# ) 4.2   0.6   1.8        
!assign (resid  109 and name  HD2 ) (resid  117 and name HD2# ) 4.2   0.6   1.8         

assign (resid  109 and name  HE1 ) (resid  117 and name HD1# ) 3.4   0.3   1.3        
assign (resid  109 and name  HE1 ) (resid  117 and name HD2# ) 4.2   0.6   1.8              
!assign (resid  109 and name  HE1 ) (resid  117 and name HD*  ) 3.4   0.3   2.7         

assign (resid  103 and name   HN ) (resid   98 and name    HA)  3.4   0.3   0.3              
assign (resid   63 and name   HN ) (resid   62 and name  HG1#)  4.2   0.6   1.8              
assign (resid   63 and name   HN ) (resid   62 and name  HG2#)  4.2   0.6   1.8              
assign (resid   75 and name   HN ) (resid   68 and name  HG2#)  4.2   0.6   1.8              


assign (resid  109 and name  HB# ) (resid  113 and name HD#  ) 4.2   0.6   3.8              
assign (resid  109 and name  HB# ) (resid  113 and name HE#  ) 3.6   0.3   3.3                
assign (resid  109 and name  HB# ) (resid  113 and name HZ   ) 4.2   0.6   1.8                

assign (resid   79 and name  HN  ) (resid   63 and name  HA  ) 4.2   0.6   0.8              
assign (resid   79 and name  HN  ) (resid   64 and name  HA  ) 3.8   0.3   0.3                

assign (resid   56 and name  HE  ) (resid   49 and name   HA ) 3.0   0.3   0.3              
assign (resid   56 and name  HE  ) (resid   52 and name   HA ) 4.2   0.6   0.8               
assign (resid   56 and name  HE  ) (resid   52 and name   HA ) 4.2   0.6   0.8               
assign (resid   56 and name  HE  ) (resid   53 and name   HB#) 3.4   0.3   1.3               

! ===========      non-NOE    ======================

assign (resid   66 and name  HA# ) (resid   76  and name  HA# ) 4.2   0.6   50.0          



assign (resid    4 and name  HN ) (resid   15  and name  HB# ) 4.2   0.6   50.0           
assign (resid    5 and name  HN ) (resid   15  and name  HB# ) 4.2   0.6   50.0             
assign (resid    5 and name  HN ) (resid   15  and name  HN  ) 4.2   0.6   50.0             
assign (resid    5 and name  HN ) (resid   21  and name  HG2 ) 4.2   0.6   50.0            
assign (resid    6 and name  HN ) (resid   41 and name   HA  ) 4.2   0.6   50.0             
assign (resid    6 and name  HN ) (resid   47  and name  HE21) 4.2   0.6   50.0              
assign (resid    6 and name  HN ) (resid   47  and name  HE22) 4.2   0.6   50.0            
assign (resid    6 and name  HN ) (resid   94  and name  HA  ) 4.2   0.6   50.0              
assign (resid    6 and name  HN ) (resid   94  and name  HB# ) 4.2   0.6   50.0            
assign (resid    6 and name  HN ) (resid  115 and name   HA  ) 4.2   0.6   50.0              
assign (resid    6 and name  HA ) (resid  118 and name   HN ) 4.2   0.6   50.0             
assign (resid    8 and name  HA ) (resid   76  and name  HN  ) 3.5   0.3   50.0           
assign (resid    9 and name  HN ) (resid   12 and name   HB  ) 4.2   0.6   50.0             
assign (resid    9 and name  HN ) (resid   13 and name   HB# ) 4.2   0.6   50.0              
assign (resid    9 and name  HN ) (resid   13 and name   HD# ) 4.2   0.6   50.0            
assign (resid    9 and name  HN ) (resid   42 and name   HA  ) 4.2   0.6   50.0            
assign (resid   10 and name  HN ) (resid   12 and name   HN  ) 4.2   0.6   50.0            
assign (resid   10 and name  HN ) (resid   13 and name   HD# ) 4.2   0.6   50.0             
assign (resid   10 and name  HN ) (resid   42 and name   HB#) 4.2   0.6   50.0            
assign (resid   10 and name  HN ) (resid   93  and name  HE# ) 4.2   0.6   50.0            
assign (resid   11 and name  HN ) (resid   50 and name   HA  ) 4.2   0.6   50.0              
assign (resid   11 and name  HN ) (resid   93  and name  HZ  ) 4.2   0.6   50.0              
assign (resid   11 and name  HN ) (resid   73  and name  HE# ) 4.2   0.6   50.0              
assign (resid   14 and name  HN ) (resid    4 and name   HG2#) 4.2   0.6   50.0              
assign (resid   14 and name  HN ) (resid   41 and name   HA  ) 4.2   0.6   50.0              
assign (resid   14 and name  HN ) (resid   45 and name   HN  ) 4.2   0.6   50.0              
assign (resid   14 and name  HN ) (resid   45 and name   HB# ) 4.2   0.6   50.0              
assign (resid   14 and name  HN ) (resid   51 and name   HG* ) 4.2   0.6   50.0             
assign (resid   14 and name  HN ) (resid   71 and name   HA  ) 4.2   0.6   50.0              
assign (resid   14 and name  HD2) (resid   74  and name  HN  ) 3.5   0.3   50.0              
assign (resid   14 and name  HE1) (resid   71  and name  HN  ) 4.2   0.6   50.0             
assign (resid   15 and name  HN ) (resid   13 and name   HA  ) 4.2   0.6   50.0         
assign (resid   15 and name  HN ) (resid   41 and name   HA  ) 4.2   0.6   50.0         
assign (resid   15 and name  HN ) (resid   44 and name   HB# ) 4.2   0.6   50.0         
assign (resid   15 and name  HN ) (resid   58 and name   HB# ) 4.2   0.6   50.0         
assign (resid   15 and name HD21 ) (resid   66  and name HA1 ) 4.2   0.6   50.0         
assign (resid   15 and name HD21 ) (resid   67  and name HB  ) 4.2   0.6   50.0         
assign (resid   15 and name HD21 ) (resid   67  and name HG13) 4.2   0.6   50.0         
assign (resid   15 and name HD22 ) (resid   62  and name HA  ) 4.2   0.6   50.0         
assign (resid   15 and name HD22 ) (resid   66  and name HA1 ) 4.2   0.6   50.0         
assign (resid   15 and name  HN ) (resid   61 and name   HN  ) 4.2   0.6   50.0         
assign (resid   15 and name  HN ) (resid   68 and name   HG* ) 4.2   0.6   50.0         
assign (resid   15 and name  HB#) (resid   97  and name  HN  ) 4.2   0.6   50.0         
assign (resid   15 and name  HB#) (resid   98  and name  HN  ) 4.2   0.6   50.0         
assign (resid   15 and name  HN ) (resid   91  and name  HA  ) 4.2   0.6   50.0         
assign (resid   15 and name  HN ) (resid   91  and name  HG# ) 4.2   0.6   50.0         
assign (resid   16 and name HA   ) (resid   97  and name HN  ) 4.2   0.6   50.0         
assign (resid   17 and name  HN ) (resid   44 and name   HA  ) 4.2   0.6   50.0         
assign (resid   17 and name  HN ) (resid   47 and name   HB# ) 4.2   0.6   50.0         
assign (resid   17 and name  HN ) (resid   47 and name   HE21) 4.2   0.6   50.0         
assign (resid   17 and name  HN ) (resid   47 and name   HE22) 4.2   0.6   50.0         
assign (resid   17 and name  HA ) (resid   94  and name  HN  ) 4.2   0.6   50.0         
assign (resid   19 and name  HN ) (resid   47  and name  HG1 ) 4.2   0.6   50.0         
assign (resid   19 and name  HN ) (resid   47  and name  HG2 ) 4.2   0.6   50.0         
assign (resid   19 and name  HG ) (resid   47  and name  HN  ) 4.2   0.6   50.0         
assign (resid   20 and name  HN ) (resid   47 and name   HE2#) 4.2   0.6   50.0         
assign (resid   20 and name  HN ) (resid   94  and name  HB# ) 4.2   0.6   50.0         
assign (resid   20 and name  HB1) (resid   94  and name  HN  ) 4.2   0.6   50.0         
assign (resid   20 and name  HB2) (resid   94  and name  HN  ) 4.2   0.6   50.0         
assign (resid   21 and name  HD#) (resid   80  and name  HN  ) 4.2   0.6   50.0         
assign (resid   21 and name  HN ) (resid   94  and name  HN  ) 4.2   0.6   50.0         
assign (resid   22 and name  HN ) (resid   33 and name   HA  ) 4.2   0.6   50.0         
assign (resid   22 and name  HA ) (resid   26 and name   HN  ) 4.2   0.6   50.0         
assign (resid   22 and name  HA ) (resid   82 and name   HD1#) 4.2   0.6   50.0         
assign (resid   22 and name  HA ) (resid   82 and name   HD2#) 4.2   0.6   50.0         
assign (resid   22 and name  HN ) (resid   90  and name  HA  ) 4.2   0.6   50.0         
assign (resid   22 and name  HB#) (resid   34 and name   HN  ) 4.2   0.6   50.0         
assign (resid   23 and name  HN ) (resid   40 and name   HB# ) 4.2   0.6   50.0         
assign (resid   23 and name  HN ) (resid   40 and name   HG# ) 4.2   0.6   50.0         
assign (resid   23 and name  HD#) (resid   41 and name   HN  ) 4.2   0.6   50.0         
assign (resid   24 and name  HN ) (resid   93 and name   HD# ) 4.2   0.6   50.0         
assign (resid   24 and name  HN ) (resid   93 and name   HE# ) 4.2   0.6   50.0         
assign (resid   24 and name  HN ) (resid   93 and name   HZ  ) 4.2   0.6   50.0         
assign (resid   25 and name  HN ) (resid   93 and name   HD# ) 4.2   0.6   50.0         
assign (resid   25 and name  HN ) (resid   93 and name   HE# ) 4.2   0.6   50.0         
assign (resid   28 and name  HN ) (resid   85 and name   HB# ) 4.2   0.6   50.0         
assign (resid   29 and name  HN ) (resid   85 and name   HB# ) 4.2   0.6   50.0         
assign (resid   30 and name  HN ) (resid   85 and name   HB# ) 4.2   0.6   50.0         
assign (resid   39 and name  HN ) (resid   36 and name   HA  ) 4.2   0.6   50.0         
assign (resid   40 and name  HN ) (resid   36 and name   HA  ) 4.2   0.6   50.0         
assign (resid   40 and name  HN ) (resid   37 and name   HN  ) 4.2   0.6   50.0         
assign (resid   44 and name  HN ) (resid   15 and name   HA  ) 4.2   0.6   50.0         
assign (resid   44 and name  HN ) (resid   16 and name   HA  ) 4.2   0.6   50.0         
assign (resid   45 and name  HN ) (resid    6 and name   HB# ) 4.2   0.6   50.0         
assign (resid   46 and name  HN ) (resid  103 and name   HN  ) 4.2   0.6   50.0         
assign (resid   46 and name  HN ) (resid    8 and name   HA  ) 4.2   0.6   50.0         
assign (resid   46 and name  HN ) (resid   15 and name   HB# ) 4.2   0.6   50.0         
assign (resid   48 and name  HN ) (resid   18 and name   HB# ) 4.2   0.6   50.0         
assign (resid   51 and name  HN ) (resid   97  and name  HN  ) 3.5   0.6   50.0         
assign (resid   52 and name  HA ) (resid   56  and name  HN  ) 4.2   0.6   50.0         
assign (resid   47 and name  HN ) (resid   15 and name   HB# ) 4.2   0.6   50.0         
assign (resid   53 and name  HN ) (resid   48 and name   HD# ) 4.2   0.6   50.0         
assign (resid   53 and name  HN ) (resid   56  and name  HN  ) 4.2   0.6   50.0         
assign (resid   53 and name  HN ) (resid   56  and name  HA  ) 4.2   0.6   50.0         
assign (resid   53 and name  HN ) (resid   57  and name  HN  ) 4.2   0.6   50.0         
assign (resid   53 and name  HN ) (resid   98 and name   HG# ) 4.2   0.6   50.0         
assign (resid   55 and name  HN ) (resid   11 and name   HB# ) 4.2   0.6   50.0         
assign (resid   55 and name  HN ) (resid   53 and name   HB# ) 4.2   0.6   50.0         
assign (resid   57 and name  HN ) (resid  106 and name   HB# ) 4.2   0.6   50.0         
assign (resid   58 and name  HN ) (resid  106 and name   HB# ) 4.2   0.6   50.0         
assign (resid   58 and name  HN ) (resid   56 and name   HA  ) 4.2   0.6   50.0         
assign (resid   59 and name  HN ) (resid   57 and name   HA  ) 4.2   0.6   50.0         
assign (resid   62 and name  HN ) (resid   14 and name   HB# ) 4.2   0.6   50.0         
assign (resid   63 and name  HA ) (resid   75  and name  HN  ) 4.2   0.6   50.0         
assign (resid   63 and name  HB#) (resid   74  and name  HN  ) 4.2   0.6   50.0         
assign (resid   64 and name  HA ) (resid   78  and name  HN  ) 4.2   0.6   50.0         
assign (resid   65 and name  HN ) (resid   77 and name   HN  ) 4.2   0.6   50.0     
assign (resid   65 and name  HA ) (resid   77  and name  HN  ) 4.2   0.6   50.0         
assign (resid   68 and name  HN ) (resid   74 and name   HB# ) 4.2   0.6   50.0         
assign (resid   70 and name  HN ) (resid   14 and name   HE1 ) 4.2   0.6   50.0         
assign (resid   72 and name  HN ) (resid   70 and name   HB# ) 4.2   0.6   50.0 
assign (resid   73 and name  HN ) (resid   70 and name   HB# ) 4.2   0.6   50.0 
assign (resid   75 and name  HN ) (resid   67 and name   HA  ) 4.2   0.6   50.0         
assign (resid   76 and name  HN ) (resid   80  and name  HE# ) 4.2   0.6   50.0         
assign (resid   76 and name  HN ) (resid   87  and name  HD# ) 4.2   0.6   50.0         
assign (resid   76 and name  HN ) (resid   91  and name  HD# ) 4.2   0.6   50.0         
assign (resid   77 and name  HN ) (resid   64 and name   HA  ) 4.2   0.6   50.0         
assign (resid   77 and name  HN ) (resid   87  and name  HD# ) 4.2   0.6   50.0         
assign (resid   77 and name  HN ) (resid   87  and name  HE  ) 4.2   0.6   50.0         
assign (resid   77 and name  HN ) (resid   65 and name   HB# ) 4.2   0.6   50.0         
assign (resid   77 and name  HN ) (resid   65 and name   HA  ) 4.2   0.6   50.0         
assign (resid   78 and name  HN ) (resid   65 and name   HA  ) 4.2   0.6   50.0         
assign (resid   78 and name  HN ) (resid   66 and name   HA# ) 4.2   0.6   50.0         
assign (resid   78 and name  HN ) (resid   67 and name   HB  ) 4.2   0.6   50.0         
assign (resid   78 and name  HN ) (resid   87  and name  HE  ) 4.2   0.6   50.0         
assign (resid   80 and name  HN ) (resid   85 and name   HA  ) 4.2   0.6   50.0            
assign (resid   80 and name  HN ) (resid   86 and name   HD# ) 4.2   0.6   50.0            
assign (resid   80 and name  HN ) (resid   87 and name   HN  ) 4.2   0.6   50.0            
assign (resid   80 and name  HB#) (resid   87  and name  HN  ) 4.2   0.6   50.0         
assign (resid   80 and name  HN ) (resid   90 and name   HG# ) 4.2   0.6   50.0            
assign (resid   81 and name  HN ) (resid   86 and name   HB# ) 4.2   0.6   50.0         
assign (resid   81 and name  HN ) (resid   89 and name   HN  ) 4.2   0.6   50.0         
assign (resid   81 and name  HN ) (resid   87 and name   HG# ) 4.2   0.6   50.0         
assign (resid   81 and name  HN ) (resid   90 and name   HE# ) 4.2   0.6   50.0         
assign (resid   82 and name  HN ) (resid   29 and name   HB# ) 4.2   0.6   50.0         
assign (resid   82 and name  HN ) (resid   86 and name   HB# ) 4.2   0.6   50.0         
assign (resid   87 and name  HN ) (resid   90 and name   HE# ) 4.2   0.6   50.0         
assign (resid   94 and name  HN ) (resid   26 and name   HG2#) 4.2   0.6   50.0         
assign (resid   97 and name  HN ) (resid   99 and name   HN  ) 4.2   0.6   50.0         
assign (resid   98 and name HG21) (resid  107  and name  HN  ) 4.2   0.6   50.0         
assign (resid   98 and name HG23) (resid  107  and name  HN  ) 4.2   0.6   50.0         
assign (resid   98 and name  HN ) (resid  113  and name  HN  ) 4.2   0.6   50.0         
assign (resid   99 and name  HN ) (resid  101 and name   HG* ) 4.2   0.6   50.0         
assign (resid   99 and name  HN ) (resid  112  and name  HA  ) 4.2   0.6   50.0         

assign (resid  100 and name  HN ) (resid   49 and name   HA  ) 4.2   0.6   50.0         
assign (resid  100 and name  HN ) (resid   49 and name   HB# ) 4.2   0.6   50.0         
assign (resid  100 and name  HN ) (resid   53 and name   HA  ) 4.2   0.6   50.0         
assign (resid  100 and name  HN ) (resid   53 and name   HB# ) 4.2   0.6   50.0         
assign (resid  100 and name  HN ) (resid  106  and name  HB# ) 4.2   0.6   50.0         
assign (resid  100 and name  HN ) (resid  107  and name  HN  ) 4.2   0.6   50.0         
assign (resid  100 and name  HN ) (resid  107 and name   HA  ) 4.2   0.6   50.0         
assign (resid  100 and name  HN ) (resid  107  and name  HG2#) 4.2   0.6   50.0         
assign (resid  100 and name  HN ) (resid  112  and name  HA  ) 4.2   0.6   50.0         
assign (resid  100 and name  HN ) (resid  112  and name  HB1 ) 4.2   0.6   50.0         
assign (resid  100 and name  HN ) (resid  112  and name  HB2 ) 4.2   0.6   50.0         

assign (resid  101 and name  HN ) (resid  107  and name  HN  ) 4.2   0.6   50.0         
assign (resid  101 and name  HN ) (resid  107  and name  HA  ) 4.2   0.6   50.0         

assign (resid  105 and name  HN ) (resid   99  and name  HB  ) 4.2   0.6   50.0         
assign (resid  105 and name  HN ) (resid  101  and name  HN  ) 4.2   0.6   50.0         
assign (resid  105 and name  HN ) (resid  101  and name  HG* ) 4.2   0.6   50.0         
assign (resid  105 and name  HN ) (resid  102  and name  HN  ) 4.2   0.6   50.0         
assign (resid  105 and name  HN ) (resid  101 and name   HA  ) 4.2   0.6   50.0         
assign (resid  106 and name  HN ) (resid  101 and name   HA  ) 4.2   0.6   50.0         
assign (resid  106 and name  HN ) (resid  112 and name   HA  ) 4.2   0.6   50.0         
assign (resid  106 and name  HN ) (resid   99  and name  HB  ) 4.2   0.6   50.0         
assign (resid  106 and name  HN ) (resid   99  and name  HG2#) 4.2   0.6   50.0         
assign (resid  106 and name  HN ) (resid  112  and name  HA  ) 4.2   0.6   50.0 
assign (resid  107 and name  HN ) (resid   98 and name   HG* ) 4.2   0.6   50.0         
assign (resid  107 and name  HN ) (resid   99 and name   HA  ) 4.2   0.6   50.0         
assign (resid  107 and name  HN ) (resid  100 and name   HA  ) 4.2   0.6   50.0         
assign (resid  107 and name  HN ) (resid  104 and name   HD2#) 4.2   0.6   50.0         
assign (resid  107 and name  HN ) (resid  104 and name   HB# ) 4.2   0.6   50.0         
assign (resid  107 and name  HN ) (resid  109  and name  HE1 ) 4.2   0.6   50.0        
assign (resid  108 and name  HN ) (resid   53 and name   HA  ) 4.2   0.6   50.0         
assign (resid  108 and name  HN ) (resid  106 and name   HB# ) 4.2   0.6   50.0         
assign (resid  113 and name  HN ) (resid   99  and name  HG2#) 4.2   0.6   50.0         
assign (resid  114 and name  HN ) (resid   97  and name  HA  ) 4.2   0.6   50.0         
assign (resid  114 and name  HN ) (resid   53 and name   HA  ) 4.2   0.6   50.0         
assign (resid  114 and name  HN ) (resid  107 and name   HG2#) 4.2   0.6   50.0         
assign (resid  114 and name  HN ) (resid  108 and name   HA  ) 4.2   0.6   50.0         
assign (resid  114 and name  HN ) (resid  109 and name   HD2 ) 4.2   0.6   50.0         
assign (resid  114 and name  HN ) (resid  109 and name   HA  ) 4.2   0.6   50.0         
assign (resid  115 and name  HN ) (resid  109  and name  HB# ) 4.2   0.6   50.0         
assign (resid  117 and name  HN ) (resid  119 and name   HN  ) 4.2   0.6   50.0         
assign (resid  118 and name  HN ) (resid  113  and name  HZ  ) 4.2   0.6   50.0         
assign (resid  119 and name  HN ) (resid  117 and name   HA  ) 4.2   0.6   50.0         

assign (resid    2 and name  HN ) (resid  102 and name   HB# ) 4.2   0.6   50.0         
assign (resid    2 and name  HN ) (resid  102 and name   HG# ) 4.2   0.6   50.0         

assign (resid    4 and name  HN ) (resid   98 and name   HB  ) 4.2   0.6   50.0         
assign (resid    4 and name  HN ) (resid   98 and name   HG* ) 4.2   0.6   50.0         

assign (resid    6 and name  HN ) (resid    1 and name   HB# ) 4.2   0.6   50.0         

assign (resid    7 and name  HN ) (resid   55 and name   HB# ) 4.2   0.6   50.0         

assign (resid   14 and name  HN ) (resid   58 and name   HN  ) 4.2   0.6   50.0         
assign (resid   14 and name  HN ) (resid   58 and name   HA  ) 4.2   0.6   50.0         

assign (resid   15 and name  HN ) (resid   13 and name   HB# ) 4.2   0.6   50.0         
assign (resid   15 and name  HN ) (resid   57 and name   HB# ) 4.2   0.6   50.0         
assign (resid   15 and name  HN ) (resid   61 and name   HN  ) 4.2   0.6   50.0         

assign (resid   17 and name  HN ) (resid   60 and name   HG* ) 4.2   0.6   50.0         

assign (resid   18 and name  HN ) (resid   98 and name   HB  ) 4.2   0.6   50.0         

assign (resid   48 and name  HN ) (resid   19 and name   HB# ) 4.2   0.6   50.0         

assign (resid   50 and name  HN ) (resid   98 and name   HN  ) 4.2   0.6   50.0         
assign (resid   50 and name  HN ) (resid   98 and name   HA  ) 4.2   0.6   50.0         

assign (resid   51 and name  HN ) (resid   99 and name   HG2#) 4.2   0.6   50.0         

assign (resid   53 and name  HN ) (resid   55 and name   HN  ) 4.2   0.6   50.0         
assign (resid   53 and name  HN ) (resid  107 and name   HA  ) 4.2   0.6   50.0         
assign (resid   53 and name  HN ) (resid   99 and name   HG2#) 4.2   0.6   50.0         

assign (resid   58 and name  HN ) (resid   13 and name   HA  ) 4.2   0.6   50.0         

assign (resid   60 and name  HN ) (resid   16 and name   HA  ) 4.2   0.6   50.0         

assign (resid   96 and name  HN ) (resid    1 and name   HA  ) 4.2   0.6   50.0         

assign (resid   97 and name  HN ) (resid   22 and name   HE# ) 4.2   0.6   50.0         

assign (resid   98 and name  HN ) (resid   50 and name   HB# ) 4.2   0.6   50.0         
assign (resid   98 and name  HN ) (resid  106 and name   HA  ) 4.2   0.6   50.0         
assign (resid   98 and name  HN ) (resid  112 and name   HA  ) 4.2   0.6   50.0         

assign (resid   99 and name  HN ) (resid  101 and name   HG* ) 4.2   0.6   50.0         
assign (resid   99 and name  HN ) (resid  106 and name   HN  ) 4.2   0.6   50.0         
assign (resid   99 and name  HN ) (resid  106 and name   HA  ) 4.2   0.6   50.0         
assign (resid   99 and name  HN ) (resid  107 and name   HA  ) 4.2   0.6   50.0         

assign (resid  100 and name  HN ) (resid  104 and name   HD2#) 4.2   0.6   50.0         
assign (resid  100 and name  HN ) (resid  105 and name   HN  ) 4.2   0.6   50.0         
assign (resid  100 and name  HN ) (resid  107 and name   HG2#) 4.2   0.6   50.0         

assign (resid  115 and name  HN ) (resid  113 and name   HB# ) 4.2   0.6   50.0         
!**********Distance constraints of the sekundary structur elements**********

!========== Hydrogen Bonds of the type II turn ======================

assign (resid   82 and name   HN ) (resid   85 and name  O  )  1.9   0.6   0.3
assign (resid   82 and name    N ) (resid   85 and name  O  )  2.8   0.6   0.2 
assign (resid   85 and name   HN ) (resid   82 and name  O  )  1.9   0.6   0.3   
assign (resid   85 and name    N ) (resid   82 and name  O  )  2.8   0.6   0.2  


assign (resid  103 and name   HN ) (resid   97 and name  O  )  1.9   0.6   0.4  
assign (resid  103 and name    N ) (resid   97 and name  O  )  2.8   0.6   0.4

!=========== Hydrogen Bonds of the a-Helices H1 ======================

!HN(i))-O(i-4)
!assign (resid  21 and name HN ) (resid  17 and name O  )  1.9 0.6 0.3  
assign (resid  22 and name HN ) (resid  18 and name O  )  1.9 0.6 0.3  
assign (resid  23 and name HN ) (resid  19 and name O  )  1.9 0.6 0.3  
assign (resid  24 and name HN ) (resid  20 and name O  )  1.9 0.6 0.3  
assign (resid  25 and name HN ) (resid  21 and name O  )  1.9 0.6 0.3  
assign (resid  26 and name HN ) (resid  22 and name O  )  1.9 0.6 0.3  
assign (resid  27 and name HN ) (resid  23 and name O  )  1.9 0.6 0.3  
assign (resid  28 and name HN ) (resid  24 and name O  )  1.9 0.6 0.3  
assign (resid  29 and name HN ) (resid  25 and name O  )  1.9 0.6 0.3  

!N(i))-O(i-4)
!assign (resid  21 and name  N ) (resid  17 and name O  )  2.8 0.6 0.2  
assign (resid  22 and name  N ) (resid  18 and name O  )  2.8 0.6 0.2  
assign (resid  23 and name  N ) (resid  19 and name O  )  2.8 0.6 0.2  
assign (resid  24 and name  N ) (resid  20 and name O  )  2.8 0.6 0.2  
assign (resid  25 and name  N ) (resid  21 and name O  )  2.8 0.6 0.2  
assign (resid  26 and name  N ) (resid  22 and name O  )  2.8 0.6 0.2  
assign (resid  27 and name  N ) (resid  23 and name O  )  2.8 0.6 0.2  
assign (resid  28 and name  N ) (resid  24 and name O  )  2.8 0.6 0.2  
assign (resid  29 and name  N ) (resid  25 and name O  )  2.8 0.6 0.2  

!==============Hydrogen Bonds of the a-Helices H2=====================

!HN(i))-O(i-4)
assign (resid  41 and name HN ) (resid  37 and name O  )  1.9 0.6 0.3  
assign (resid  42 and name HN ) (resid  38 and name O  )  1.9 0.6 0.3  
assign (resid  43 and name HN ) (resid  39 and name O  )  1.9 0.6 0.3  
assign (resid  44 and name HN ) (resid  40 and name O  )  1.9 0.6 0.3  
assign (resid  45 and name HN ) (resid  41 and name O  )  1.9 0.6 0.3  
assign (resid  46 and name HN ) (resid  42 and name O  )  1.9 0.6 0.3  
assign (resid  47 and name HN ) (resid  43 and name O  )  1.9 0.6 0.3  
assign (resid  48 and name HN ) (resid  44 and name O  )  1.9 0.6 0.3  
assign (resid  49 and name HN ) (resid  45 and name O  )  1.9 0.6 0.3  
assign (resid  50 and name HN ) (resid  46 and name O  )  1.9 0.6 0.3  
assign (resid  51 and name HN ) (resid  47 and name O  )  1.9 0.6 0.3  

!N(i))-O(i-4)
assign (resid  41 and name  N ) (resid  37 and name O  )  2.8 0.6 0.2  
assign (resid  42 and name  N ) (resid  38 and name O  )  2.8 0.6 0.2  
assign (resid  43 and name  N ) (resid  39 and name O  )  2.8 0.6 0.2  
assign (resid  44 and name  N ) (resid  40 and name O  )  2.8 0.6 0.2  
assign (resid  45 and name  N ) (resid  41 and name O  )  2.8 0.6 0.2  
assign (resid  46 and name  N ) (resid  42 and name O  )  2.8 0.6 0.2  
assign (resid  47 and name  N ) (resid  43 and name O  )  2.8 0.6 0.2  
assign (resid  48 and name  N ) (resid  44 and name O  )  2.8 0.6 0.2  
assign (resid  49 and name  N ) (resid  45 and name O  )  2.8 0.6 0.2  
assign (resid  50 and name  N ) (resid  46 and name O  )  2.8 0.6 0.2  
assign (resid  51 and name  N ) (resid  47 and name O  )  2.8 0.6 0.2  

!==============Hydrogen Bonds of the a-Helices H3 ====================

!HN(i))-O(i-4)
!assign (resid  62 and name HN ) (resid  58 and name O  )  1.9 0.6 0.3  
assign (resid  63 and name HN ) (resid  59 and name O  )  1.9 0.6 0.3  
assign (resid  64 and name HN ) (resid  60 and name O  )  1.9 0.6 0.3  
assign (resid  65 and name HN ) (resid  61 and name O  )  1.9 0.6 0.3  
assign (resid  66 and name HN ) (resid  62 and name O  )  1.9 0.6 0.3

!N(i))-O(i-4)
!assign (resid  62 and name  N ) (resid  58 and name O  )  2.8 0.6 0.2  
assign (resid  63 and name  N ) (resid  59 and name O  )  2.8 0.6 0.2  
assign (resid  64 and name  N ) (resid  60 and name O  )  2.8 0.6 0.2  
assign (resid  65 and name  N ) (resid  61 and name O  )  2.8 0.6 0.2  
assign (resid  66 and name HN ) (resid  62 and name O  )  2.8 0.6 0.2 

!==============Hydrogen Bonds of the a-Helices H4====================
!HN(i))-O(i-4)
assign (resid  91 and name HN ) (resid  87 and name O  )  1.9 0.6 0.3  
assign (resid  92 and name HN ) (resid  88 and name O  )  1.9 0.6 0.3  
assign (resid  93 and name HN ) (resid  89 and name O  )  1.9 0.6 0.3  
assign (resid  94 and name HN ) (resid  90 and name O  )  1.9 0.6 0.3  

!N(i))-O(i-4)
assign (resid  91 and name  N ) (resid  87 and name O  )  2.8 0.6 0.2  
assign (resid  92 and name  N ) (resid  88 and name O  )  2.8 0.6 0.2  
assign (resid  93 and name  N ) (resid  89 and name O  )  2.8 0.6 0.2  
assign (resid  94 and name  N ) (resid  90 and name O  )  2.8 0.6 0.2  

!==============Hydrogen Bonds of the a-Helices H4====================

!HN(i))-O(i-4)
!assign (resid  73 and name HN ) (resid  69 and name O  )  1.9 0.6 0.3  
assign (resid  69 and name HN ) (resid  73 and name O  )  1.9 0.6 0.3  
assign (resid  75 and name HN ) (resid  67 and name O  )  1.9 0.6 0.3  
!N(i))-O(i-4)
!assign (resid  73 and name  N ) (resid  69 and name O  )  2.8 0.6 0.2  
assign (resid  69 and name  N ) (resid  73 and name O  )  2.8 0.6 0.2  
assign (resid  75 and name  N ) (resid  67 and name O  )  2.8 0.6 0.2  

------------------------------------------------------------------------------

  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had  930 H/Q atoms
  Start of MODEL    1
    1   1H    SER   1           HT3      SER   1 -21.834  -0.032  11.438
    2   2H    SER   1           HT2      SER   1 -20.244   0.503  11.170
    3   3H    SER   1           HT1      SER   1 -20.745   0.072  12.735
    4    HA   SER   1           HA       SER   1 -22.289   1.921  12.788
    5   1HB   SER   1           HB2      SER   1 -20.005   2.293  13.608
    6   2HB   SER   1           HB1      SER   1 -19.462   2.662  11.973
    7    HG   SER   1           HG       SER   1 -19.911   4.579  13.040
    8    H    VAL   2           HN       VAL   2 -20.058   2.583  10.077
    9    HA   VAL   2           HA       VAL   2 -22.404   3.343   8.405
   10    HB   VAL   2           HB       VAL   2 -20.742   5.218   7.511
   11   1HG1  VAL   2          HG12      VAL   2 -23.026   5.441   8.592
   12   2HG1  VAL   2          HG11      VAL   2 -22.194   5.599  10.139
   13   3HG1  VAL   2          HG13      VAL   2 -21.932   6.796   8.869
   14   1HG2  VAL   2          HG21      VAL   2 -19.099   4.284   9.441
   15   2HG2  VAL   2          HG23      VAL   2 -19.121   5.981   8.961
   16   3HG2  VAL   2          HG22      VAL   2 -20.006   5.458  10.393
   17    H    GLY   3           HN       GLY   3 -19.008   3.829   7.468
   18   1HA   GLY   3           HA2      GLY   3 -19.382   1.742   5.374
   19   2HA   GLY   3           HA1      GLY   3 -18.236   3.080   5.281
   20    H    THR   4           HN       THR   4 -18.957   0.229   7.316
   21    HA   THR   4           HA       THR   4 -16.037  -0.034   7.874
   22    HB   THR   4           HB       THR   4 -17.505   0.123   9.854
   23    HG1  THR   4           HG1      THR   4 -16.291  -1.298  10.791
   24   1HG2  THR   4          HG21      THR   4 -19.233  -1.485   8.319
   25   2HG2  THR   4          HG23      THR   4 -18.710  -2.504   9.660
   26   3HG2  THR   4          HG22      THR   4 -19.478  -0.950   9.982
   27    H    SER   5           HN       SER   5 -17.635  -0.963   5.409
   28    HA   SER   5           HA       SER   5 -17.900  -3.782   5.340
   29   1HB   SER   5           HB2      SER   5 -17.400  -3.488   2.850
   30   2HB   SER   5           HB1      SER   5 -18.723  -2.512   3.485
   31    HG   SER   5           HG       SER   5 -16.030  -1.643   3.243
   32    H    CYS   6           HN       CYS   6 -16.348  -5.228   3.979
   33    HA   CYS   6           HA       CYS   6 -14.255  -6.268   3.747
   34   1HB   CYS   6           HB2      CYS   6 -13.073  -3.531   4.291
   35   2HB   CYS   6           HB1      CYS   6 -12.323  -4.860   3.412
   36    H    ILE   7           HN       ILE   7 -13.598  -7.598   5.354
   37    HA   ILE   7           HA       ILE   7 -13.572  -6.759   8.148
   38    HB   ILE   7           HB       ILE   7 -12.266  -9.314   7.259
   39   1HG1  ILE   7          HG12      ILE   7 -14.908 -10.061   7.551
   40   2HG1  ILE   7          HG11      ILE   7 -15.056  -8.537   6.674
   41   1HG2  ILE   7          HG23      ILE   7 -13.804  -8.276   9.608
   42   2HG2  ILE   7          HG22      ILE   7 -13.829 -10.009   9.284
   43   3HG2  ILE   7          HG21      ILE   7 -12.295  -9.189   9.569
   44   1HD1  ILE   7          HD13      ILE   7 -13.015  -9.670   5.294
   45   2HD1  ILE   7          HD12      ILE   7 -13.888 -11.119   5.794
   46   3HD1  ILE   7          HD11      ILE   7 -14.709  -9.876   4.851
   47    HA   PRO   8           HA       PRO   8  -9.298  -5.532   8.071
   48   1HB   PRO   8           HB2      PRO   8  -8.857  -5.281  10.758
   49   2HB   PRO   8           HB1      PRO   8  -9.767  -4.105   9.803
   50   1HG   PRO   8           HG2      PRO   8 -10.787  -6.120  11.738
   51   2HG   PRO   8           HG1      PRO   8 -11.511  -4.586  11.224
   52   1HD   PRO   8           HD2      PRO   8 -12.231  -7.186  10.322
   53   2HD   PRO   8           HD1      PRO   8 -12.787  -5.641   9.648
   54    H    GLY   9           HN       GLY   9  -8.907  -7.150  11.051
   55   1HA   GLY   9           HA2      GLY   9  -6.670  -8.593  10.654
   56   2HA   GLY   9           HA1      GLY   9  -7.927  -9.170  11.726
   57    H    MET  10           HN       MET  10  -9.722  -9.447   9.192
   58    HA   MET  10           HA       MET  10  -8.605 -12.051   8.294
   59   1HB   MET  10           HB2      MET  10 -11.497 -11.131   8.239
   60   2HB   MET  10           HB1      MET  10 -10.895 -12.753   7.891
   61   1HG   MET  10           HG2      MET  10  -9.871 -12.577  10.311
   62   2HG   MET  10           HG1      MET  10 -11.111 -11.343  10.533
   63   1HE   MET  10           HE2      MET  10 -12.641 -11.762  11.741
   64   2HE   MET  10           HE1      MET  10 -13.939 -12.946  11.600
   65   3HE   MET  10           HE3      MET  10 -12.496 -13.319  12.553
   66    H    ALA  11           HN       ALA  11  -7.781 -11.777   6.093
   67    HA   ALA  11           HA       ALA  11  -7.901 -11.249   3.815
   68   1HB   ALA  11           HB2      ALA  11 -10.484 -11.065   4.234
   69   2HB   ALA  11           HB1      ALA  11 -10.176  -9.330   4.221
   70   3HB   ALA  11           HB3      ALA  11  -9.780 -10.307   2.806
   71    H    ILE  12           HN       ILE  12  -8.564  -8.440   6.061
   72    HA   ILE  12           HA       ILE  12  -6.289  -7.070   4.618
   73    HB   ILE  12           HB       ILE  12  -8.806  -5.799   5.736
   74   1HG1  ILE  12          HG12      ILE  12  -7.818  -6.031   2.876
   75   2HG1  ILE  12          HG11      ILE  12  -9.067  -7.058   3.582
   76   1HG2  ILE  12          HG21      ILE  12  -6.172  -4.723   5.071
   77   2HG2  ILE  12          HG23      ILE  12  -7.447  -3.967   4.114
   78   3HG2  ILE  12          HG22      ILE  12  -7.530  -3.938   5.875
   79   1HD1  ILE  12          HD12      ILE  12 -10.288  -4.878   4.183
   80   2HD1  ILE  12          HD11      ILE  12  -9.163  -4.079   3.084
   81   3HD1  ILE  12          HD13      ILE  12 -10.257  -5.321   2.476
   82    HA   PRO  13           HA       PRO  13  -5.624  -7.618   9.189
   83   1HB   PRO  13           HB2      PRO  13  -2.981  -8.401   9.091
   84   2HB   PRO  13           HB1      PRO  13  -4.362  -9.508   9.024
   85   1HG   PRO  13           HG2      PRO  13  -2.538  -8.652   6.840
   86   2HG   PRO  13           HG1      PRO  13  -3.520 -10.121   6.972
   87   1HD   PRO  13           HD2      PRO  13  -4.096  -7.837   5.418
   88   2HD   PRO  13           HD1      PRO  13  -5.207  -9.183   5.750
   89    H    HIS  14           HN       HIS  14  -3.938  -6.679  10.647
   90    HA   HIS  14           HA       HIS  14  -3.638  -3.890  10.129
   91   1HB   HIS  14           HB2      HIS  14  -2.253  -5.480  12.322
   92   2HB   HIS  14           HB1      HIS  14  -2.792  -3.816  12.356
   93    HD1  HIS  14           HD1      HIS  14  -5.328  -3.351  12.806
   94    HD2  HIS  14           HD2      HIS  14  -4.346  -7.403  12.725
   95    HE1  HIS  14           HE1      HIS  14  -7.343  -4.609  13.719
   96    H    ASN  15           HN       ASN  15  -1.616  -2.715   9.763
   97    HA   ASN  15           HA       ASN  15   0.532  -2.373   8.942
   98   1HB   ASN  15           HB2      ASN  15   0.924  -4.060  10.966
   99   2HB   ASN  15           HB1      ASN  15   1.368  -5.159   9.661
  100   1HD2  ASN  15          HD22      ASN  15   4.608  -3.730  10.030
  101   2HD2  ASN  15          HD21      ASN  15   3.647  -5.097  10.322
  102    HA   PRO  16           HA       PRO  16  -0.612  -5.066   5.257
  103   1HB   PRO  16           HB2      PRO  16  -1.835  -3.133   3.750
  104   2HB   PRO  16           HB1      PRO  16  -2.707  -4.174   4.890
  105   1HG   PRO  16           HG2      PRO  16  -1.934  -1.300   5.179
  106   2HG   PRO  16           HG1      PRO  16  -3.316  -2.166   5.871
  107   1HD   PRO  16           HD2      PRO  16  -0.958  -1.498   7.272
  108   2HD   PRO  16           HD1      PRO  16  -2.168  -2.701   7.765
  109    H    LEU  17           HN       LEU  17   0.343  -4.910   3.129
  110    HA   LEU  17           HA       LEU  17   2.077  -4.405   1.653
  111   1HB   LEU  17           HB2      LEU  17   1.441  -1.543   2.432
  112   2HB   LEU  17           HB1      LEU  17   2.155  -2.099   0.918
  113    HG   LEU  17           HG       LEU  17  -0.616  -2.846   1.906
  114   1HD1  LEU  17          HD13      LEU  17   0.291  -0.889  -0.228
  115   2HD1  LEU  17          HD12      LEU  17  -1.379  -1.405   0.011
  116   3HD1  LEU  17          HD11      LEU  17  -0.549  -0.493   1.271
  117   1HD2  LEU  17          HD23      LEU  17   1.079  -3.635  -0.428
  118   2HD2  LEU  17          HD22      LEU  17  -0.076  -4.596   0.494
  119   3HD2  LEU  17          HD21      LEU  17  -0.652  -3.434  -0.702
  120    H    ASP  18           HN       ASP  18   3.057  -5.112   4.173
  121    HA   ASP  18           HA       ASP  18   4.994  -3.205   5.187
  122   1HB   ASP  18           HB2      ASP  18   5.986  -5.242   6.333
  123   2HB   ASP  18           HB1      ASP  18   4.279  -4.955   6.669
  124    H    SER  19           HN       SER  19   5.118  -5.883   2.918
  125    HA   SER  19           HA       SER  19   7.945  -5.838   2.414
  126   1HB   SER  19           HB2      SER  19   5.894  -7.472   1.648
  127   2HB   SER  19           HB1      SER  19   6.166  -6.574   0.158
  128    HG   SER  19           HG       SER  19   8.075  -8.021   1.688
  129    H    CYS  20           HN       CYS  20   5.246  -3.923   1.274
  130    HA   CYS  20           HA       CYS  20   6.587  -2.728  -0.991
  131   1HB   CYS  20           HB2      CYS  20   4.255  -1.639   0.596
  132   2HB   CYS  20           HB1      CYS  20   4.707  -1.208  -1.053
  133    H    ARG  21           HN       ARG  21   6.184  -1.937   2.420
  134    HA   ARG  21           HA       ARG  21   7.271   0.694   2.358
  135   1HB   ARG  21           HB2      ARG  21   6.675   0.644   4.535
  136   2HB   ARG  21           HB1      ARG  21   6.140  -1.006   4.274
  137   1HG   ARG  21           HG2      ARG  21   8.270  -1.881   5.045
  138   2HG   ARG  21           HG1      ARG  21   8.956  -0.258   5.124
  139   1HD   ARG  21           HD2      ARG  21   7.237   0.343   6.829
  140   2HD   ARG  21           HD1      ARG  21   6.661  -1.324   6.796
  141    HE   ARG  21           HE       ARG  21   9.505  -0.764   7.500
  142   1HH1  ARG  21          HH11      ARG  21   7.449  -3.268   7.570
  143   2HH1  ARG  21          HH12      ARG  21   7.457  -3.531   9.283
  144   1HH2  ARG  21          HH21      ARG  21   9.056  -0.539  10.004
  145   2HH2  ARG  21          HH22      ARG  21   8.368  -1.986  10.660
  146    H    TRP  22           HN       TRP  22   8.840  -2.419   3.244
  147    HA   TRP  22           HA       TRP  22  11.465  -1.271   3.390
  148   1HB   TRP  22           HB2      TRP  22  10.567  -4.124   3.172
  149   2HB   TRP  22           HB1      TRP  22  12.261  -3.693   3.029
  150    HD1  TRP  22           HD1      TRP  22   9.991  -4.685   5.571
  151    HE1  TRP  22           HE1      TRP  22  10.739  -3.846   7.910
  152    HE3  TRP  22           HE3      TRP  22  13.350  -1.318   4.099
  153    HZ2  TRP  22           HZ2      TRP  22  12.614  -1.904   8.976
  154    HZ3  TRP  22           HZ3      TRP  22  14.654   0.059   5.735
  155    HH2  TRP  22           HH2      TRP  22  14.283  -0.242   8.175
  156    H    TYR  23           HN       TYR  23   9.538  -2.469   0.739
  157    HA   TYR  23           HA       TYR  23  11.681  -2.769  -1.160
  158   1HB   TYR  23           HB2      TYR  23   9.451  -3.766  -1.528
  159   2HB   TYR  23           HB1      TYR  23   8.762  -2.149  -1.712
  160    HD1  TYR  23           HD2      TYR  23  11.547  -4.288  -3.030
  161    HD2  TYR  23           HD1      TYR  23   8.668  -1.211  -3.863
  162    HE1  TYR  23           HE2      TYR  23  12.241  -4.287  -5.410
  163    HE2  TYR  23           HE1      TYR  23   9.364  -1.208  -6.244
  164    HH   TYR  23           HH       TYR  23  10.517  -3.129  -7.825
  165    H    VAL  24           HN       VAL  24   9.810  -0.022   0.021
  166    HA   VAL  24           HA       VAL  24  10.734   1.804  -2.060
  167    HB   VAL  24           HB       VAL  24   9.818   2.479   0.753
  168   1HG1  VAL  24          HG11      VAL  24  10.111   4.175  -1.746
  169   2HG1  VAL  24          HG13      VAL  24   9.427   4.731  -0.218
  170   3HG1  VAL  24          HG12      VAL  24  11.125   4.263  -0.306
  171   1HG2  VAL  24          HG21      VAL  24   8.366   1.874  -1.783
  172   2HG2  VAL  24          HG23      VAL  24   7.863   1.605  -0.114
  173   3HG2  VAL  24          HG22      VAL  24   7.759   3.219  -0.816
  174    H    SER  25           HN       SER  25  11.760   0.898   1.222
  175    HA   SER  25           HA       SER  25  13.873   2.742   1.544
  176   1HB   SER  25           HB2      SER  25  14.140  -0.104   2.474
  177   2HB   SER  25           HB1      SER  25  14.689   1.371   3.263
  178    HG   SER  25           HG       SER  25  12.424   1.919   3.464
  179    H    THR  26           HN       THR  26  13.928  -0.451  -0.053
  180    HA   THR  26           HA       THR  26  16.765  -0.348  -0.668
  181    HB   THR  26           HB       THR  26  14.521  -2.175  -1.581
  182    HG1  THR  26           HG1      THR  26  16.709  -2.629   0.150
  183   1HG2  THR  26          HG21      THR  26  17.455  -2.183  -2.263
  184   2HG2  THR  26          HG23      THR  26  16.560  -3.699  -2.159
  185   3HG2  THR  26          HG22      THR  26  16.072  -2.464  -3.320
  186    H    ARG  27           HN       ARG  27  13.868  -0.089  -2.733
  187    HA   ARG  27           HA       ARG  27  15.244   0.382  -5.172
  188   1HB   ARG  27           HB2      ARG  27  12.823  -0.252  -4.948
  189   2HB   ARG  27           HB1      ARG  27  12.492   1.402  -4.428
  190   1HG   ARG  27           HG2      ARG  27  12.702   2.240  -6.532
  191   2HG   ARG  27           HG1      ARG  27  14.079   1.206  -6.911
  192   1HD   ARG  27           HD2      ARG  27  12.210  -0.692  -6.849
  193   2HD   ARG  27           HD1      ARG  27  11.159   0.668  -7.236
  194    HE   ARG  27           HE       ARG  27  13.583   0.243  -8.903
  195   1HH1  ARG  27          HH11      ARG  27  10.570   1.612  -8.875
  196   2HH1  ARG  27          HH12      ARG  27  10.030   0.933 -10.374
  197   1HH2  ARG  27          HH21      ARG  27  12.725  -1.230 -10.673
  198   2HH2  ARG  27          HH22      ARG  27  11.251  -0.673 -11.393
  199    H    THR  28           HN       THR  28  14.489   2.515  -2.520
  200    HA   THR  28           HA       THR  28  15.090   4.910  -4.143
  201    HB   THR  28           HB       THR  28  14.208   6.202  -2.285
  202    HG1  THR  28           HG1      THR  28  13.758   5.306  -0.352
  203   1HG2  THR  28          HG21      THR  28  12.626   3.737  -2.989
  204   2HG2  THR  28          HG23      THR  28  11.957   5.047  -2.017
  205   3HG2  THR  28          HG22      THR  28  12.483   5.357  -3.670
  206    H    CYS  29           HN       CYS  29  16.169   3.797  -0.867
  207    HA   CYS  29           HA       CYS  29  18.697   5.292  -1.306
  208   1HB   CYS  29           HB2      CYS  29  17.897   4.001   1.290
  209   2HB   CYS  29           HB1      CYS  29  18.955   5.383   1.028
  210    H    GLY  30           HN       GLY  30  17.849   2.356  -2.133
  211   1HA   GLY  30           HA2      GLY  30  18.962   0.282  -2.370
  212   2HA   GLY  30           HA1      GLY  30  20.449   1.197  -2.123
  213    H    VAL  31           HN       VAL  31  18.044   1.354   0.388
  214    HA   VAL  31           HA       VAL  31  19.757  -0.353   2.143
  215    HB   VAL  31           HB       VAL  31  17.787   1.827   2.914
  216   1HG1  VAL  31          HG13      VAL  31  19.639   0.013   4.443
  217   2HG1  VAL  31          HG12      VAL  31  19.247   1.611   5.078
  218   3HG1  VAL  31          HG11      VAL  31  17.962   0.437   4.792
  219   1HG2  VAL  31          HG23      VAL  31  20.722   1.819   2.317
  220   2HG2  VAL  31          HG22      VAL  31  19.517   3.060   1.981
  221   3HG2  VAL  31          HG21      VAL  31  20.139   2.854   3.618
  222    H    GLY  32           HN       GLY  32  18.504  -1.570   3.869
  223   1HA   GLY  32           HA2      GLY  32  16.016  -2.211   4.384
  224   2HA   GLY  32           HA1      GLY  32  16.037  -2.673   2.678
  225    HA   PRO  33           HA       PRO  33  17.682  -6.210   5.433
  226   1HB   PRO  33           HB2      PRO  33  15.884  -8.159   4.605
  227   2HB   PRO  33           HB1      PRO  33  15.695  -7.173   6.066
  228   1HG   PRO  33           HG2      PRO  33  14.359  -6.882   3.400
  229   2HG   PRO  33           HG1      PRO  33  13.718  -6.565   5.023
  230   1HD   PRO  33           HD2      PRO  33  14.532  -4.584   3.328
  231   2HD   PRO  33           HD1      PRO  33  14.575  -4.429   5.097
  232    H    ARG  34           HN       ARG  34  18.484  -8.430   4.451
  233    HA   ARG  34           HA       ARG  34  19.591  -7.809   1.792
  234   1HB   ARG  34           HB2      ARG  34  21.028  -9.870   2.269
  235   2HB   ARG  34           HB1      ARG  34  21.272  -8.488   3.333
  236   1HG   ARG  34           HG2      ARG  34  20.017  -9.502   5.096
  237   2HG   ARG  34           HG1      ARG  34  19.379 -10.747   4.025
  238   1HD   ARG  34           HD2      ARG  34  21.140 -12.074   4.476
  239   2HD   ARG  34           HD1      ARG  34  22.255 -10.823   3.926
  240    HE   ARG  34           HE       ARG  34  21.351 -10.159   6.553
  241   1HH1  ARG  34          HH21      ARG  34  24.124 -10.868   5.032
  242   2HH1  ARG  34          HH22      ARG  34  24.816 -11.871   6.263
  243   1HH2  ARG  34          HH11      ARG  34  21.871 -12.133   8.076
  244   2HH2  ARG  34          HH12      ARG  34  23.541 -12.588   7.987
  245    H    LEU  35           HN       LEU  35  17.810  -8.190   0.518
  246    HA   LEU  35           HA       LEU  35  17.340 -11.026  -0.163
  247   1HB   LEU  35           HB2      LEU  35  14.939 -10.863  -0.106
  248   2HB   LEU  35           HB1      LEU  35  15.525 -10.297   1.453
  249    HG   LEU  35           HG       LEU  35  14.767  -8.487  -0.864
  250   1HD1  LEU  35          HD12      LEU  35  13.006  -9.928   0.603
  251   2HD1  LEU  35          HD11      LEU  35  13.198  -8.529   1.660
  252   3HD1  LEU  35          HD13      LEU  35  12.653  -8.311  -0.004
  253   1HD2  LEU  35          HD23      LEU  35  15.962  -8.071   1.827
  254   2HD2  LEU  35          HD22      LEU  35  16.120  -7.100   0.364
  255   3HD2  LEU  35          HD21      LEU  35  14.680  -6.950   1.370
  256    H    ALA  36           HN       ALA  36  15.539 -10.761  -2.203
  257    HA   ALA  36           HA       ALA  36  17.040  -9.071  -4.128
  258   1HB   ALA  36           HB3      ALA  36  15.167 -11.409  -4.397
  259   2HB   ALA  36           HB2      ALA  36  15.465 -10.354  -5.779
  260   3HB   ALA  36           HB1      ALA  36  16.803 -11.220  -5.025
  261    H    THR  37           HN       THR  37  15.734  -7.819  -5.755
  262    HA   THR  37           HA       THR  37  13.664  -6.249  -4.405
  263    HB   THR  37           HB       THR  37  13.634  -5.198  -6.853
  264    HG1  THR  37           HG1      THR  37  15.119  -5.954  -8.093
  265   1HG2  THR  37          HG23      THR  37  15.670  -4.920  -4.661
  266   2HG2  THR  37          HG22      THR  37  15.779  -3.923  -6.111
  267   3HG2  THR  37          HG21      THR  37  14.345  -3.836  -5.086
  268    H    GLN  38           HN       GLN  38  13.731  -8.057  -7.507
  269    HA   GLN  38           HA       GLN  38  11.000  -7.874  -8.131
  270   1HB   GLN  38           HB2      GLN  38  11.309 -10.018  -9.378
  271   2HB   GLN  38           HB1      GLN  38  12.598  -8.855  -9.687
  272   1HG   GLN  38           HG2      GLN  38  13.525 -10.239  -7.463
  273   2HG   GLN  38           HG1      GLN  38  12.737 -11.495  -8.416
  274   1HE2  GLN  38          HE22      GLN  38  16.322 -10.161  -9.587
  275   2HE2  GLN  38          HE21      GLN  38  15.659  -9.845  -8.057
  276    H    GLU  39           HN       GLU  39  12.526  -9.839  -5.690
  277    HA   GLU  39           HA       GLU  39  10.304 -11.654  -5.259
  278   1HB   GLU  39           HB2      GLU  39  12.625 -10.899  -3.457
  279   2HB   GLU  39           HB1      GLU  39  11.516 -12.243  -3.177
  280   1HG   GLU  39           HG2      GLU  39  13.079 -11.980  -5.749
  281   2HG   GLU  39           HG1      GLU  39  13.741 -12.807  -4.338
  282    H    MET  40           HN       MET  40  11.477  -8.696  -3.662
  283    HA   MET  40           HA       MET  40   9.493  -8.576  -1.595
  284   1HB   MET  40           HB2      MET  40  11.681  -7.165  -1.990
  285   2HB   MET  40           HB1      MET  40  10.606  -6.105  -2.886
  286   1HG   MET  40           HG2      MET  40   9.264  -5.651  -0.998
  287   2HG   MET  40           HG1      MET  40   9.895  -7.034  -0.108
  288   1HE   MET  40           HE3      MET  40  11.605  -7.152   1.297
  289   2HE   MET  40           HE2      MET  40  12.523  -5.808   1.971
  290   3HE   MET  40           HE1      MET  40  10.770  -5.841   2.141
  291    H    LYS  41           HN       LYS  41   9.740  -6.917  -4.714
  292    HA   LYS  41           HA       LYS  41   7.252  -5.609  -4.764
  293   1HB   LYS  41           HB2      LYS  41   9.079  -5.282  -6.436
  294   2HB   LYS  41           HB1      LYS  41   8.659  -6.835  -7.154
  295   1HG   LYS  41           HG2      LYS  41   6.559  -6.070  -7.890
  296   2HG   LYS  41           HG1      LYS  41   6.563  -4.706  -6.773
  297   1HD   LYS  41           HD2      LYS  41   7.405  -3.415  -8.416
  298   2HD   LYS  41           HD1      LYS  41   8.873  -4.391  -8.387
  299   1HE   LYS  41           HE2      LYS  41   8.045  -4.444 -10.644
  300   2HE   LYS  41           HE1      LYS  41   7.694  -6.020  -9.935
  301   1HZ   LYS  41           HZ2      LYS  41   5.758  -3.775  -9.980
  302   2HZ   LYS  41           HZ1      LYS  41   5.811  -4.990 -11.167
  303   3HZ   LYS  41           HZ3      LYS  41   5.453  -5.393  -9.559
  304    H    ALA  42           HN       ALA  42   8.070  -8.946  -5.664
  305    HA   ALA  42           HA       ALA  42   5.528  -9.705  -6.750
  306   1HB   ALA  42           HB2      ALA  42   7.616 -11.387  -5.319
  307   2HB   ALA  42           HB1      ALA  42   6.275 -12.029  -6.269
  308   3HB   ALA  42           HB3      ALA  42   7.542 -11.088  -7.056
  309    H    ARG  43           HN       ARG  43   6.857  -9.675  -3.478
  310    HA   ARG  43           HA       ARG  43   4.683 -10.989  -2.169
  311   1HB   ARG  43           HB2      ARG  43   6.762 -10.783  -0.978
  312   2HB   ARG  43           HB1      ARG  43   6.777  -9.036  -1.177
  313   1HG   ARG  43           HG2      ARG  43   6.116  -9.737   1.128
  314   2HG   ARG  43           HG1      ARG  43   4.863  -8.802   0.318
  315   1HD   ARG  43           HD2      ARG  43   3.407 -10.492   0.582
  316   2HD   ARG  43           HD1      ARG  43   4.472 -11.579  -0.304
  317    HE   ARG  43           HE       ARG  43   4.875 -11.102   2.617
  318   1HH1  ARG  43          HH11      ARG  43   6.129 -12.960   0.268
  319   2HH1  ARG  43          HH12      ARG  43   5.688 -14.499   0.928
  320   1HH2  ARG  43          HH21      ARG  43   3.555 -13.159   3.314
  321   2HH2  ARG  43          HH22      ARG  43   4.228 -14.612   2.655
  322    H    CYS  44           HN       CYS  44   5.279  -7.625  -3.095
  323    HA   CYS  44           HA       CYS  44   3.077  -6.457  -1.664
  324   1HB   CYS  44           HB2      CYS  44   4.630  -5.573  -4.079
  325   2HB   CYS  44           HB1      CYS  44   3.211  -4.693  -3.501
  326    H    CYS  45           HN       CYS  45   3.407  -7.952  -4.881
  327    HA   CYS  45           HA       CYS  45   0.748  -7.200  -5.784
  328   1HB   CYS  45           HB2      CYS  45   2.809  -9.180  -6.745
  329   2HB   CYS  45           HB1      CYS  45   1.187  -9.184  -7.425
  330    H    ARG  46           HN       ARG  46   2.073  -9.936  -3.987
  331    HA   ARG  46           HA       ARG  46  -0.298 -11.590  -4.195
  332   1HB   ARG  46           HB2      ARG  46   2.121 -12.221  -3.420
  333   2HB   ARG  46           HB1      ARG  46   1.577 -11.704  -1.839
  334   1HG   ARG  46           HG2      ARG  46   0.969 -13.930  -1.750
  335   2HG   ARG  46           HG1      ARG  46  -0.510 -13.220  -2.395
  336   1HD   ARG  46           HD2      ARG  46  -0.323 -14.502  -4.233
  337   2HD   ARG  46           HD1      ARG  46   1.231 -13.755  -4.603
  338    HE   ARG  46           HE       ARG  46   0.862 -16.271  -3.051
  339   1HH1  ARG  46          HH11      ARG  46   3.213 -14.094  -2.773
  340   2HH1  ARG  46          HH12      ARG  46   4.468 -14.984  -3.568
  341   1HH2  ARG  46          HH21      ARG  46   2.315 -17.363  -4.881
  342   2HH2  ARG  46          HH22      ARG  46   3.960 -16.835  -4.761
  343    H    GLN  47           HN       GLN  47   0.849  -9.053  -2.032
  344    HA   GLN  47           HA       GLN  47  -1.388  -9.331  -0.148
  345   1HB   GLN  47           HB2      GLN  47   0.479  -6.968  -0.512
  346   2HB   GLN  47           HB1      GLN  47  -0.490  -7.348   0.910
  347   1HG   GLN  47           HG2      GLN  47   1.079  -9.659   0.342
  348   2HG   GLN  47           HG1      GLN  47   2.156  -8.268   0.239
  349   1HE2  GLN  47          HE22      GLN  47   2.430  -8.279   3.745
  350   2HE2  GLN  47          HE21      GLN  47   3.218  -8.249   2.241
  351    H    LEU  48           HN       LEU  48  -0.732  -7.606  -3.098
  352    HA   LEU  48           HA       LEU  48  -2.722  -5.570  -2.865
  353   1HB   LEU  48           HB2      LEU  48  -0.642  -5.674  -4.404
  354   2HB   LEU  48           HB1      LEU  48  -1.612  -6.678  -5.464
  355    HG   LEU  48           HG       LEU  48  -1.643  -4.288  -6.120
  356   1HD1  LEU  48          HD13      LEU  48  -3.646  -6.020  -6.246
  357   2HD1  LEU  48          HD12      LEU  48  -4.402  -4.862  -5.158
  358   3HD1  LEU  48          HD11      LEU  48  -3.854  -4.344  -6.750
  359   1HD2  LEU  48          HD21      LEU  48  -1.516  -3.478  -3.694
  360   2HD2  LEU  48          HD23      LEU  48  -2.630  -2.607  -4.747
  361   3HD2  LEU  48          HD22      LEU  48  -3.246  -3.797  -3.603
  362    H    GLU  49           HN       GLU  49  -2.718  -8.779  -4.492
  363    HA   GLU  49           HA       GLU  49  -5.519  -8.451  -5.282
  364   1HB   GLU  49           HB2      GLU  49  -3.618  -9.947  -6.379
  365   2HB   GLU  49           HB1      GLU  49  -4.144 -11.134  -5.185
  366   1HG   GLU  49           HG2      GLU  49  -6.407 -11.081  -6.025
  367   2HG   GLU  49           HG1      GLU  49  -6.036  -9.720  -7.084
  368    H    ALA  50           HN       ALA  50  -3.698 -10.122  -2.711
  369    HA   ALA  50           HA       ALA  50  -5.760 -11.612  -1.474
  370   1HB   ALA  50           HB2      ALA  50  -3.279 -10.242  -0.467
  371   2HB   ALA  50           HB1      ALA  50  -4.429 -10.889   0.704
  372   3HB   ALA  50           HB3      ALA  50  -3.675 -11.961  -0.475
  373    H    ILE  51           HN       ILE  51  -4.937  -8.204  -1.347
  374    HA   ILE  51           HA       ILE  51  -7.138  -7.521   0.488
  375    HB   ILE  51           HB       ILE  51  -5.206  -5.769  -1.075
  376   1HG1  ILE  51          HG12      ILE  51  -5.189  -6.285   1.898
  377   2HG1  ILE  51          HG11      ILE  51  -4.346  -7.368   0.791
  378   1HG2  ILE  51          HG22      ILE  51  -7.460  -4.776  -0.348
  379   2HG2  ILE  51          HG21      ILE  51  -6.902  -5.004   1.309
  380   3HG2  ILE  51          HG23      ILE  51  -6.015  -3.938   0.220
  381   1HD1  ILE  51          HD13      ILE  51  -3.318  -5.153  -0.168
  382   2HD1  ILE  51          HD12      ILE  51  -3.796  -4.474   1.388
  383   3HD1  ILE  51          HD11      ILE  51  -2.668  -5.830   1.326
  384    HA   PRO  52           HA       PRO  52  -9.573  -7.721  -3.347
  385   1HB   PRO  52           HB2      PRO  52 -12.022  -7.237  -2.165
  386   2HB   PRO  52           HB1      PRO  52 -11.257  -8.833  -2.271
  387   1HG   PRO  52           HG2      PRO  52 -11.400  -6.959   0.070
  388   2HG   PRO  52           HG1      PRO  52 -11.424  -8.732   0.048
  389   1HD   PRO  52           HD2      PRO  52  -9.184  -7.254   0.707
  390   2HD   PRO  52           HD1      PRO  52  -9.115  -8.891   0.025
  391    H    ALA  53           HN       ALA  53 -10.504  -6.187  -4.712
  392    HA   ALA  53           HA       ALA  53  -9.671  -3.541  -4.633
  393   1HB   ALA  53           HB2      ALA  53 -11.739  -5.040  -6.106
  394   2HB   ALA  53           HB1      ALA  53 -11.980  -3.293  -6.058
  395   3HB   ALA  53           HB3      ALA  53 -10.481  -3.959  -6.706
  396    H    TYR  54           HN       TYR  54 -12.440  -4.932  -3.002
  397    HA   TYR  54           HA       TYR  54 -13.766  -2.426  -2.367
  398   1HB   TYR  54           HB2      TYR  54 -13.876  -5.169  -1.068
  399   2HB   TYR  54           HB1      TYR  54 -14.913  -3.820  -0.606
  400    HD1  TYR  54           HD1      TYR  54 -14.047  -6.166  -3.340
  401    HD2  TYR  54           HD2      TYR  54 -16.766  -3.129  -1.985
  402    HE1  TYR  54           HE1      TYR  54 -15.607  -6.739  -5.183
  403    HE2  TYR  54           HE2      TYR  54 -18.324  -3.700  -3.826
  404    HH   TYR  54           HH       TYR  54 -17.953  -4.826  -6.258
  405    H    CYS  55           HN       CYS  55 -12.770  -0.907  -1.110
  406    HA   CYS  55           HA       CYS  55 -11.640   0.059   0.722
  407   1HB   CYS  55           HB2      CYS  55 -11.404  -2.719   1.911
  408   2HB   CYS  55           HB1      CYS  55 -11.393  -1.175   2.754
  409    H    ARG  56           HN       ARG  56 -10.315  -1.860  -1.590
  410    HA   ARG  56           HA       ARG  56  -7.811  -2.770  -0.746
  411   1HB   ARG  56           HB2      ARG  56  -8.630  -3.184  -2.987
  412   2HB   ARG  56           HB1      ARG  56  -8.648  -1.465  -3.359
  413   1HG   ARG  56           HG2      ARG  56  -6.612  -1.845  -4.272
  414   2HG   ARG  56           HG1      ARG  56  -6.023  -1.849  -2.618
  415   1HD   ARG  56           HD2      ARG  56  -5.201  -3.889  -3.329
  416   2HD   ARG  56           HD1      ARG  56  -6.752  -4.380  -2.676
  417    HE   ARG  56           HE       ARG  56  -7.006  -5.308  -4.855
  418   1HH1  ARG  56          HH11      ARG  56  -4.853  -2.719  -5.236
  419   2HH1  ARG  56          HH12      ARG  56  -5.352  -2.326  -6.847
  420   1HH2  ARG  56          HH21      ARG  56  -8.037  -4.512  -6.841
  421   2HH2  ARG  56          HH22      ARG  56  -7.148  -3.334  -7.748
  422    H    CYS  57           HN       CYS  57  -7.531   0.116  -2.800
  423    HA   CYS  57           HA       CYS  57  -5.291   1.291  -1.851
  424   1HB   CYS  57           HB2      CYS  57  -7.863   2.749  -2.477
  425   2HB   CYS  57           HB1      CYS  57  -6.283   3.528  -2.368
  426    H    GLU  58           HN       GLU  58  -8.340   1.532   0.085
  427    HA   GLU  58           HA       GLU  58  -7.771   3.458   1.949
  428   1HB   GLU  58           HB2      GLU  58  -9.710   1.754   1.880
  429   2HB   GLU  58           HB1      GLU  58  -8.669   0.737   2.878
  430   1HG   GLU  58           HG2      GLU  58  -8.874   2.091   4.711
  431   2HG   GLU  58           HG1      GLU  58  -8.909   3.566   3.745
  432    H    ALA  59           HN       ALA  59  -6.517   0.080   2.241
  433    HA   ALA  59           HA       ALA  59  -5.073   0.214   4.573
  434   1HB   ALA  59           HB2      ALA  59  -4.192  -1.071   1.990
  435   2HB   ALA  59           HB1      ALA  59  -3.495  -1.422   3.571
  436   3HB   ALA  59           HB3      ALA  59  -5.183  -1.815   3.244
  437    H    VAL  60           HN       VAL  60  -3.816   1.354   1.434
  438    HA   VAL  60           HA       VAL  60  -1.212   2.124   2.188
  439    HB   VAL  60           HB       VAL  60  -3.063   3.682   0.350
  440   1HG1  VAL  60          HG12      VAL  60  -0.138   3.714   0.930
  441   2HG1  VAL  60          HG11      VAL  60  -0.629   3.902  -0.753
  442   3HG1  VAL  60          HG13      VAL  60  -1.205   5.038   0.466
  443   1HG2  VAL  60          HG23      VAL  60  -2.430   1.024   0.093
  444   2HG2  VAL  60          HG22      VAL  60  -2.766   2.097  -1.265
  445   3HG2  VAL  60          HG21      VAL  60  -1.100   1.777  -0.785
  446    H    ARG  61           HN       ARG  61  -4.237   3.937   2.409
  447    HA   ARG  61           HA       ARG  61  -3.247   6.311   3.651
  448   1HB   ARG  61           HB2      ARG  61  -5.573   5.991   2.723
  449   2HB   ARG  61           HB1      ARG  61  -5.943   5.006   4.140
  450   1HG   ARG  61           HG2      ARG  61  -6.694   7.177   4.724
  451   2HG   ARG  61           HG1      ARG  61  -5.131   7.022   5.529
  452   1HD   ARG  61           HD2      ARG  61  -4.082   8.492   4.082
  453   2HD   ARG  61           HD1      ARG  61  -5.171   8.119   2.747
  454    HE   ARG  61           HE       ARG  61  -6.688   9.404   4.780
  455   1HH1  ARG  61          HH11      ARG  61  -5.895  10.023   1.736
  456   2HH1  ARG  61          HH12      ARG  61  -5.475  11.694   1.921
  457   1HH2  ARG  61          HH21      ARG  61  -5.386  11.566   5.384
  458   2HH2  ARG  61          HH22      ARG  61  -5.186  12.566   3.984
  459    H    ILE  62           HN       ILE  62  -4.601   3.344   5.107
  460    HA   ILE  62           HA       ILE  62  -4.334   3.923   7.847
  461    HB   ILE  62           HB       ILE  62  -4.008   1.331   6.296
  462   1HG1  ILE  62          HG12      ILE  62  -6.214   2.368   6.107
  463   2HG1  ILE  62          HG11      ILE  62  -6.314   0.903   7.077
  464   1HG2  ILE  62          HG23      ILE  62  -3.775   1.863   9.198
  465   2HG2  ILE  62          HG22      ILE  62  -4.750   0.469   8.729
  466   3HG2  ILE  62          HG21      ILE  62  -3.066   0.577   8.223
  467   1HD1  ILE  62          HD13      ILE  62  -5.751   3.044   8.866
  468   2HD1  ILE  62          HD12      ILE  62  -7.049   3.582   7.804
  469   3HD1  ILE  62          HD11      ILE  62  -7.236   2.101   8.741
  470    H    LEU  63           HN       LEU  63  -1.854   3.156   5.500
  471    HA   LEU  63           HA       LEU  63   0.153   2.613   7.527
  472   1HB   LEU  63           HB2      LEU  63   0.298   1.633   5.226
  473   2HB   LEU  63           HB1      LEU  63   0.541   3.256   4.587
  474    HG   LEU  63           HG       LEU  63   2.417   2.962   6.697
  475   1HD1  LEU  63          HD12      LEU  63   1.811   0.439   6.143
  476   2HD1  LEU  63          HD11      LEU  63   2.881   0.716   4.769
  477   3HD1  LEU  63          HD13      LEU  63   3.484   0.925   6.414
  478   1HD2  LEU  63          HD21      LEU  63   2.385   4.018   4.216
  479   2HD2  LEU  63          HD23      LEU  63   3.886   3.678   5.076
  480   3HD2  LEU  63          HD22      LEU  63   3.280   2.538   3.875
  481    H    MET  64           HN       MET  64  -0.740   5.374   5.505
  482    HA   MET  64           HA       MET  64   1.446   7.012   6.544
  483   1HB   MET  64           HB2      MET  64   0.390   7.395   4.305
  484   2HB   MET  64           HB1      MET  64  -1.095   7.897   5.111
  485   1HG   MET  64           HG2      MET  64   0.327   9.621   6.352
  486   2HG   MET  64           HG1      MET  64   1.612   9.242   5.204
  487   1HE   MET  64           HE2      MET  64  -0.941  11.527   6.099
  488   2HE   MET  64           HE1      MET  64  -1.968  11.892   4.714
  489   3HE   MET  64           HE3      MET  64  -2.144  10.354   5.571
  490    H    ASP  65           HN       ASP  65  -2.123   7.143   7.028
  491    HA   ASP  65           HA       ASP  65  -1.805   8.981   9.266
  492   1HB   ASP  65           HB2      ASP  65  -4.263   7.843   7.887
  493   2HB   ASP  65           HB1      ASP  65  -4.383   8.608   9.473
  494    H    GLY  66           HN       GLY  66  -2.080   5.504   8.935
  495   1HA   GLY  66           HA2      GLY  66  -1.658   3.940  10.695
  496   2HA   GLY  66           HA1      GLY  66  -1.809   5.247  11.865
  497    H    VAL  67           HN       VAL  67  -3.079   2.560  11.807
  498    HA   VAL  67           HA       VAL  67  -5.974   3.342  11.821
  499    HB   VAL  67           HB       VAL  67  -5.482   1.616  10.157
  500   1HG1  VAL  67          HG12      VAL  67  -3.646   0.676  12.029
  501   2HG1  VAL  67          HG11      VAL  67  -4.910  -0.552  12.026
  502   3HG1  VAL  67          HG13      VAL  67  -4.087  -0.130  10.528
  503   1HG2  VAL  67          HG21      VAL  67  -7.628   1.606  11.516
  504   2HG2  VAL  67          HG23      VAL  67  -7.202   0.075  10.750
  505   3HG2  VAL  67          HG22      VAL  67  -6.906   0.313  12.473
  506    H    VAL  68           HN       VAL  68  -7.310   2.280  13.450
  507    HA   VAL  68           HA       VAL  68  -5.795   1.623  15.936
  508    HB   VAL  68           HB       VAL  68  -8.450   3.053  15.572
  509   1HG1  VAL  68          HG11      VAL  68  -7.185   2.051  18.151
  510   2HG1  VAL  68          HG13      VAL  68  -8.613   3.079  18.047
  511   3HG1  VAL  68          HG12      VAL  68  -8.668   1.429  17.428
  512   1HG2  VAL  68          HG22      VAL  68  -5.680   3.765  16.400
  513   2HG2  VAL  68          HG21      VAL  68  -6.876   4.730  15.535
  514   3HG2  VAL  68          HG23      VAL  68  -6.990   4.543  17.286
  515    H    THR  69           HN       THR  69  -6.807   0.041  17.297
  516    HA   THR  69           HA       THR  69  -8.425  -1.955  15.808
  517    HB   THR  69           HB       THR  69  -7.258  -3.659  17.252
  518    HG1  THR  69           HG1      THR  69  -5.865  -2.998  18.667
  519   1HG2  THR  69          HG23      THR  69  -6.590  -3.023  14.890
  520   2HG2  THR  69          HG22      THR  69  -5.362  -1.977  15.602
  521   3HG2  THR  69          HG21      THR  69  -5.302  -3.720  15.870
  522    H    SER  70           HN       SER  70  -9.750  -3.330  17.119
  523    HA   SER  70           HA       SER  70 -11.506  -1.916  18.830
  524   1HB   SER  70           HB2      SER  70 -12.053  -3.950  17.451
  525   2HB   SER  70           HB1      SER  70 -11.181  -4.916  18.639
  526    HG   SER  70           HG       SER  70 -13.629  -3.592  18.825
  527    H    SER  71           HN       SER  71  -8.724  -3.867  19.498
  528    HA   SER  71           HA       SER  71  -9.188  -4.237  22.329
  529   1HB   SER  71           HB2      SER  71  -6.635  -4.687  22.287
  530   2HB   SER  71           HB1      SER  71  -7.682  -5.780  21.388
  531    HG   SER  71           HG       SER  71  -6.707  -5.162  19.641
  532    H    GLY  72           HN       GLY  72  -8.085  -1.557  20.454
  533   1HA   GLY  72           HA2      GLY  72  -7.920   0.677  21.455
  534   2HA   GLY  72           HA1      GLY  72  -7.396  -0.099  22.952
  535    H    GLN  73           HN       GLN  73  -5.947  -1.510  20.144
  536    HA   GLN  73           HA       GLN  73  -3.376  -0.139  20.827
  537   1HB   GLN  73           HB2      GLN  73  -3.987  -2.744  19.400
  538   2HB   GLN  73           HB1      GLN  73  -2.363  -2.075  19.560
  539   1HG   GLN  73           HG2      GLN  73  -3.929  -2.244  22.075
  540   2HG   GLN  73           HG1      GLN  73  -3.459  -3.789  21.368
  541   1HE2  GLN  73          HE22      GLN  73   0.119  -2.800  21.538
  542   2HE2  GLN  73          HE21      GLN  73  -0.952  -3.316  20.325
  543    H    HIS  74           HN       HIS  74  -1.991   0.563  19.008
  544    HA   HIS  74           HA       HIS  74  -3.577   1.251  16.565
  545   1HB   HIS  74           HB2      HIS  74  -1.380   2.688  18.042
  546   2HB   HIS  74           HB1      HIS  74  -1.724   3.047  16.369
  547    HD1  HIS  74           HD1      HIS  74  -2.810   5.314  16.578
  548    HD2  HIS  74           HD2      HIS  74  -4.523   2.512  19.144
  549    HE1  HIS  74           HE1      HIS  74  -4.827   6.435  17.620
  550    H    GLU  75           HN       GLU  75  -2.374   1.184  14.556
  551    HA   GLU  75           HA       GLU  75   0.241  -0.177  14.557
  552   1HB   GLU  75           HB2      GLU  75  -2.096  -1.286  12.982
  553   2HB   GLU  75           HB1      GLU  75  -0.462  -1.944  13.062
  554   1HG   GLU  75           HG2      GLU  75  -0.874  -2.036  15.628
  555   2HG   GLU  75           HG1      GLU  75  -2.580  -1.923  15.198
  556    H    GLY  76           HN       GLY  76   0.726  -0.589  12.002
  557   1HA   GLY  76           HA2      GLY  76   1.346   0.488  10.016
  558   2HA   GLY  76           HA1      GLY  76  -0.211   1.320  10.104
  559    H    ARG  77           HN       ARG  77   0.655   3.348   9.502
  560    HA   ARG  77           HA       ARG  77   1.621   5.464   9.885
  561   1HB   ARG  77           HB2      ARG  77   0.239   5.032  12.023
  562   2HB   ARG  77           HB1      ARG  77   1.785   4.662  12.788
  563   1HG   ARG  77           HG2      ARG  77   2.593   6.845  12.513
  564   2HG   ARG  77           HG1      ARG  77   1.451   7.207  11.218
  565   1HD   ARG  77           HD2      ARG  77  -0.373   7.388  12.731
  566   2HD   ARG  77           HD1      ARG  77   0.530   6.615  14.033
  567    HE   ARG  77           HE       ARG  77   1.630   9.169  13.051
  568   1HH1  ARG  77          HH21      ARG  77   2.669   9.164  15.459
  569   2HH1  ARG  77          HH22      ARG  77   1.469   9.626  16.620
  570   1HH2  ARG  77          HH11      ARG  77  -1.203   9.021  14.496
  571   2HH2  ARG  77          HH12      ARG  77  -0.722   9.545  16.075
  572    H    LEU  78           HN       LEU  78   3.390   2.917   9.641
  573    HA   LEU  78           HA       LEU  78   5.769   3.560  11.199
  574   1HB   LEU  78           HB2      LEU  78   5.344   1.573   8.951
  575   2HB   LEU  78           HB1      LEU  78   6.775   1.663   9.978
  576    HG   LEU  78           HG       LEU  78   4.188   1.527  11.420
  577   1HD1  LEU  78          HD11      LEU  78   4.250  -0.100   9.295
  578   2HD1  LEU  78          HD13      LEU  78   5.214  -1.081  10.401
  579   3HD1  LEU  78          HD12      LEU  78   3.570  -0.611  10.841
  580   1HD2  LEU  78          HD22      LEU  78   6.862   1.258  12.054
  581   2HD2  LEU  78          HD21      LEU  78   5.530   0.692  13.060
  582   3HD2  LEU  78          HD23      LEU  78   6.338  -0.423  11.958
  583    H    LEU  79           HN       LEU  79   4.477   4.612   8.165
  584    HA   LEU  79           HA       LEU  79   6.849   5.023   6.652
  585   1HB   LEU  79           HB2      LEU  79   4.318   5.400   6.034
  586   2HB   LEU  79           HB1      LEU  79   4.613   7.037   6.621
  587    HG   LEU  79           HG       LEU  79   6.673   5.944   4.788
  588   1HD1  LEU  79          HD11      LEU  79   3.810   6.401   3.977
  589   2HD1  LEU  79          HD13      LEU  79   5.120   6.711   2.838
  590   3HD1  LEU  79          HD12      LEU  79   4.899   5.095   3.509
  591   1HD2  LEU  79          HD23      LEU  79   5.959   8.430   5.838
  592   2HD2  LEU  79          HD22      LEU  79   7.093   8.155   4.517
  593   3HD2  LEU  79          HD21      LEU  79   5.404   8.513   4.166
  594    H    GLN  80           HN       GLN  80   8.520   5.732   7.995
  595    HA   GLN  80           HA       GLN  80   8.310   8.562   8.937
  596   1HB   GLN  80           HB2      GLN  80   9.508   6.178  10.368
  597   2HB   GLN  80           HB1      GLN  80   9.862   7.844  10.821
  598   1HG   GLN  80           HG2      GLN  80   7.002   7.503  10.532
  599   2HG   GLN  80           HG1      GLN  80   7.639   6.275  11.624
  600   1HE2  GLN  80          HE22      GLN  80   7.109   9.903  13.096
  601   2HE2  GLN  80          HE21      GLN  80   6.299   9.261  11.751
  602    H    ASP  81           HN       ASP  81  10.662   9.304   9.490
  603    HA   ASP  81           HA       ASP  81  12.173   9.139   7.021
  604   1HB   ASP  81           HB2      ASP  81  12.915  10.480   9.647
  605   2HB   ASP  81           HB1      ASP  81  13.663  10.754   8.070
  606    H    LEU  82           HN       LEU  82  13.180   7.270   6.691
  607    HA   LEU  82           HA       LEU  82  14.589   5.731   8.745
  608   1HB   LEU  82           HB2      LEU  82  14.183   5.516   5.761
  609   2HB   LEU  82           HB1      LEU  82  15.390   4.516   6.544
  610    HG   LEU  82           HG       LEU  82  12.556   4.635   7.572
  611   1HD1  LEU  82          HD12      LEU  82  13.667   3.183   5.202
  612   2HD1  LEU  82          HD11      LEU  82  12.529   2.321   6.238
  613   3HD1  LEU  82          HD13      LEU  82  12.045   3.829   5.461
  614   1HD2  LEU  82          HD21      LEU  82  14.985   2.919   7.944
  615   2HD2  LEU  82          HD23      LEU  82  13.838   3.507   9.148
  616   3HD2  LEU  82          HD22      LEU  82  13.399   2.163   8.093
  617    HA   PRO  83           HA       PRO  83  18.517   7.696   8.195
  618   1HB   PRO  83           HB2      PRO  83  20.325   5.628   7.936
  619   2HB   PRO  83           HB1      PRO  83  19.604   6.124   9.477
  620   1HG   PRO  83           HG2      PRO  83  18.954   3.758   7.770
  621   2HG   PRO  83           HG1      PRO  83  18.827   3.943   9.528
  622   1HD   PRO  83           HD2      PRO  83  16.676   4.059   7.756
  623   2HD   PRO  83           HD1      PRO  83  16.661   4.718   9.401
  624    H    GLY  84           HN       GLY  84  18.285   8.739   6.237
  625   1HA   GLY  84           HA2      GLY  84  19.409   9.185   4.131
  626   2HA   GLY  84           HA1      GLY  84  19.552   7.446   3.865
  627    H    CYS  85           HN       CYS  85  16.407   7.979   5.025
  628    HA   CYS  85           HA       CYS  85  15.301   8.568   2.324
  629   1HB   CYS  85           HB2      CYS  85  14.111   6.350   3.975
  630   2HB   CYS  85           HB1      CYS  85  13.955   6.644   2.248
  631    HA   PRO  86           HA       PRO  86  13.083  10.879   5.649
  632   1HB   PRO  86           HB2      PRO  86  12.449  13.059   4.069
  633   2HB   PRO  86           HB1      PRO  86  13.935  12.918   4.998
  634   1HG   PRO  86           HG2      PRO  86  13.518  12.603   2.071
  635   2HG   PRO  86           HG1      PRO  86  14.973  13.110   2.944
  636   1HD   PRO  86           HD2      PRO  86  14.557  10.573   1.841
  637   2HD   PRO  86           HD1      PRO  86  15.774  10.957   3.074
  638    H    ARG  87           HN       ARG  87  10.778  11.608   5.784
  639    HA   ARG  87           HA       ARG  87   8.845   9.910   4.735
  640   1HB   ARG  87           HB2      ARG  87   8.541  12.864   5.348
  641   2HB   ARG  87           HB1      ARG  87   7.231  11.698   5.247
  642   1HG   ARG  87           HG2      ARG  87   9.203  10.667   7.046
  643   2HG   ARG  87           HG1      ARG  87   8.866  12.338   7.493
  644   1HD   ARG  87           HD2      ARG  87   6.774  10.178   7.091
  645   2HD   ARG  87           HD1      ARG  87   7.329  10.787   8.651
  646    HE   ARG  87           HE       ARG  87   5.719  12.338   6.680
  647   1HH1  ARG  87          HH21      ARG  87   7.705  13.835   8.510
  648   2HH1  ARG  87          HH22      ARG  87   6.646  14.317   9.794
  649   1HH2  ARG  87          HH11      ARG  87   4.115  12.131   8.880
  650   2HH2  ARG  87          HH12      ARG  87   4.613  13.351  10.004
  651    H    GLN  88           HN       GLN  88  10.351  12.736   3.309
  652    HA   GLN  88           HA       GLN  88   8.486  13.374   1.267
  653   1HB   GLN  88           HB2      GLN  88  11.263  13.999   1.894
  654   2HB   GLN  88           HB1      GLN  88  10.994  13.919   0.155
  655   1HG   GLN  88           HG2      GLN  88  10.552  16.185   0.878
  656   2HG   GLN  88           HG1      GLN  88   9.011  15.435   0.460
  657   1HE2  GLN  88          HE22      GLN  88   7.775  16.360   3.625
  658   2HE2  GLN  88          HE21      GLN  88   7.555  16.362   1.942
  659    H    VAL  89           HN       VAL  89  11.268  11.094   1.052
  660    HA   VAL  89           HA       VAL  89  10.848  10.451  -1.709
  661    HB   VAL  89           HB       VAL  89  12.227   8.890   0.485
  662   1HG1  VAL  89          HG13      VAL  89  12.201   8.706  -2.526
  663   2HG1  VAL  89          HG12      VAL  89  13.585   8.133  -1.593
  664   3HG1  VAL  89          HG11      VAL  89  11.995   7.409  -1.349
  665   1HG2  VAL  89          HG22      VAL  89  12.971  11.251   0.143
  666   2HG2  VAL  89          HG21      VAL  89  14.214  10.045  -0.183
  667   3HG2  VAL  89          HG23      VAL  89  13.367  10.824  -1.519
  668    H    GLN  90           HN       GLN  90   9.806   8.973   1.329
  669    HA   GLN  90           HA       GLN  90   8.557   6.656   0.165
  670   1HB   GLN  90           HB2      GLN  90   8.539   8.017   2.801
  671   2HB   GLN  90           HB1      GLN  90   7.099   7.066   2.433
  672   1HG   GLN  90           HG2      GLN  90   8.675   5.600   3.526
  673   2HG   GLN  90           HG1      GLN  90   8.622   5.150   1.821
  674   1HE2  GLN  90          HE22      GLN  90  12.003   6.951   3.308
  675   2HE2  GLN  90          HE21      GLN  90  10.546   7.071   4.171
  676    H    ARG  91           HN       ARG  91   7.580   9.989   0.548
  677    HA   ARG  91           HA       ARG  91   4.749   9.508   0.014
  678   1HB   ARG  91           HB2      ARG  91   6.235  11.640   1.041
  679   2HB   ARG  91           HB1      ARG  91   5.676  12.228  -0.524
  680   1HG   ARG  91           HG2      ARG  91   3.690  12.666   0.464
  681   2HG   ARG  91           HG1      ARG  91   3.443  10.923   0.560
  682   1HD   ARG  91           HD2      ARG  91   4.908  11.111   2.733
  683   2HD   ARG  91           HD1      ARG  91   4.445  12.811   2.675
  684    HE   ARG  91           HE       ARG  91   2.396  10.627   2.725
  685   1HH1  ARG  91          HH21      ARG  91   1.574  13.513   2.377
  686   2HH1  ARG  91          HH22      ARG  91   1.187  13.965   4.003
  687   1HH2  ARG  91          HH11      ARG  91   2.812  11.256   5.430
  688   2HH2  ARG  91          HH12      ARG  91   1.888  12.689   5.731
  689    H    ALA  92           HN       ALA  92   7.609  10.376  -1.887
  690    HA   ALA  92           HA       ALA  92   6.202  11.066  -4.313
  691   1HB   ALA  92           HB3      ALA  92   9.030  10.404  -3.583
  692   2HB   ALA  92           HB2      ALA  92   8.575  10.374  -5.286
  693   3HB   ALA  92           HB1      ALA  92   8.383  11.856  -4.347
  694    H    PHE  93           HN       PHE  93   7.777   8.084  -3.181
  695    HA   PHE  93           HA       PHE  93   7.005   6.529  -5.525
  696   1HB   PHE  93           HB2      PHE  93   9.048   5.958  -4.334
  697   2HB   PHE  93           HB1      PHE  93   8.149   5.743  -2.835
  698    HD1  PHE  93           HD2      PHE  93   6.638   3.809  -2.524
  699    HD2  PHE  93           HD1      PHE  93   9.004   4.272  -6.079
  700    HE1  PHE  93           HE2      PHE  93   6.214   1.439  -3.115
  701    HE2  PHE  93           HE1      PHE  93   8.579   1.901  -6.672
  702    HZ   PHE  93           HZ       PHE  93   7.184   0.483  -5.191
  703    H    ALA  94           HN       ALA  94   5.613   7.209  -2.392
  704    HA   ALA  94           HA       ALA  94   4.019   5.083  -1.769
  705   1HB   ALA  94           HB3      ALA  94   4.065   7.817  -1.117
  706   2HB   ALA  94           HB2      ALA  94   2.398   7.479  -1.580
  707   3HB   ALA  94           HB1      ALA  94   3.163   6.546  -0.294
  708    HA   PRO  95           HA       PRO  95   0.531   6.283  -4.818
  709   1HB   PRO  95           HB2      PRO  95   1.113   8.086  -6.815
  710   2HB   PRO  95           HB1      PRO  95   0.390   8.529  -5.259
  711   1HG   PRO  95           HG2      PRO  95   3.191   8.916  -6.208
  712   2HG   PRO  95           HG1      PRO  95   2.262   9.862  -5.031
  713   1HD   PRO  95           HD2      PRO  95   4.227   7.960  -4.400
  714   2HD   PRO  95           HD1      PRO  95   3.034   8.601  -3.262
  715    H    LYS  96           HN       LYS  96   0.356   6.155  -7.488
  716    HA   LYS  96           HA       LYS  96   0.856   4.847  -9.370
  717   1HB   LYS  96           HB2      LYS  96   3.695   4.737  -8.314
  718   2HB   LYS  96           HB1      LYS  96   3.160   4.526  -9.981
  719   1HG   LYS  96           HG2      LYS  96   2.118   6.974  -9.470
  720   2HG   LYS  96           HG1      LYS  96   3.528   7.021  -8.412
  721   1HD   LYS  96           HD2      LYS  96   5.003   7.035 -10.156
  722   2HD   LYS  96           HD1      LYS  96   4.014   5.951 -11.135
  723   1HE   LYS  96           HE2      LYS  96   2.413   7.866 -11.493
  724   2HE   LYS  96           HE1      LYS  96   3.582   8.919 -10.697
  725   1HZ   LYS  96           HZ1      LYS  96   5.227   8.043 -12.383
  726   2HZ   LYS  96           HZ3      LYS  96   3.895   7.420 -13.228
  727   3HZ   LYS  96           HZ2      LYS  96   4.029   9.094 -12.972
  728    H    LEU  97           HN       LEU  97   0.420   3.745  -6.473
  729    HA   LEU  97           HA       LEU  97   1.717   1.145  -6.438
  730   1HB   LEU  97           HB2      LEU  97   0.102   2.710  -4.671
  731   2HB   LEU  97           HB1      LEU  97  -0.686   1.144  -4.860
  732    HG   LEU  97           HG       LEU  97   2.253   1.038  -4.509
  733   1HD1  LEU  97          HD11      LEU  97   0.738   2.711  -2.771
  734   2HD1  LEU  97          HD13      LEU  97   1.091   1.230  -1.881
  735   3HD1  LEU  97          HD12      LEU  97   2.406   2.175  -2.574
  736   1HD2  LEU  97          HD23      LEU  97   0.254  -0.781  -4.504
  737   2HD2  LEU  97          HD22      LEU  97   1.758  -1.018  -3.613
  738   3HD2  LEU  97          HD21      LEU  97   0.323  -0.425  -2.777
  739    H    VAL  98           HN       VAL  98  -1.834   1.682  -6.442
  740    HA   VAL  98           HA       VAL  98  -2.397  -0.803  -7.737
  741    HB   VAL  98           HB       VAL  98  -4.663   0.257  -8.148
  742   1HG1  VAL  98          HG11      VAL  98  -3.825  -0.988  -6.065
  743   2HG1  VAL  98          HG13      VAL  98  -3.767   0.608  -5.316
  744   3HG1  VAL  98          HG12      VAL  98  -5.298  -0.028  -5.921
  745   1HG2  VAL  98          HG23      VAL  98  -3.533   2.617  -8.142
  746   2HG2  VAL  98          HG22      VAL  98  -5.135   2.432  -7.430
  747   3HG2  VAL  98          HG21      VAL  98  -3.710   2.496  -6.391
  748    H    THR  99           HN       THR  99  -0.950   1.790  -9.185
  749    HA   THR  99           HA       THR  99  -2.384   1.621 -11.730
  750    HB   THR  99           HB       THR  99  -0.939   3.400 -12.493
  751    HG1  THR  99           HG1      THR  99   0.930   3.939 -11.389
  752   1HG2  THR  99          HG21      THR  99  -2.588   3.808 -10.502
  753   2HG2  THR  99          HG23      THR  99  -1.104   4.059  -9.583
  754   3HG2  THR  99          HG22      THR  99  -1.456   5.074 -10.981
  755    H    GLU 100           HN       GLU 100  -0.800   1.312 -13.776
  756    HA   GLU 100           HA       GLU 100   0.199  -1.352 -13.647
  757   1HB   GLU 100           HB2      GLU 100   0.917   0.849 -15.605
  758   2HB   GLU 100           HB1      GLU 100   1.168  -0.878 -15.859
  759   1HG   GLU 100           HG2      GLU 100  -1.583  -0.314 -15.063
  760   2HG   GLU 100           HG1      GLU 100  -1.138   0.585 -16.511
  761    H    VAL 101           HN       VAL 101   1.707   1.302 -12.077
  762    HA   VAL 101           HA       VAL 101   4.441   0.480 -12.763
  763    HB   VAL 101           HB       VAL 101   3.533   2.552 -10.743
  764   1HG1  VAL 101          HG13      VAL 101   6.132   1.621 -11.841
  765   2HG1  VAL 101          HG12      VAL 101   5.932   3.367 -11.696
  766   3HG1  VAL 101          HG11      VAL 101   5.764   2.339 -10.273
  767   1HG2  VAL 101          HG23      VAL 101   3.864   2.627 -13.725
  768   2HG2  VAL 101          HG22      VAL 101   2.664   3.431 -12.714
  769   3HG2  VAL 101          HG21      VAL 101   4.314   4.050 -12.785
  770    H    GLU 102           HN       GLU 102   2.104  -0.686 -10.584
  771    HA   GLU 102           HA       GLU 102   4.314  -1.885  -8.993
  772   1HB   GLU 102           HB2      GLU 102   3.057   0.188  -7.868
  773   2HB   GLU 102           HB1      GLU 102   1.959  -1.092  -7.365
  774   1HG   GLU 102           HG2      GLU 102   3.481  -2.046  -5.970
  775   2HG   GLU 102           HG1      GLU 102   4.825  -1.744  -7.070
  776    H    CYS 103           HN       CYS 103   0.755  -2.175  -8.319
  777    HA   CYS 103           HA       CYS 103   0.867  -4.964  -9.391
  778   1HB   CYS 103           HB2      CYS 103   0.299  -4.199  -6.510
  779   2HB   CYS 103           HB1      CYS 103  -0.108  -5.771  -7.195
  780    H    ASN 104           HN       ASN 104  -0.545  -2.680 -10.415
  781    HA   ASN 104           HA       ASN 104  -3.034  -2.000  -9.639
  782   1HB   ASN 104           HB2      ASN 104  -3.697  -1.959 -12.085
  783   2HB   ASN 104           HB1      ASN 104  -2.200  -1.130 -11.688
  784   1HD2  ASN 104          HD22      ASN 104  -2.015  -3.848 -14.525
  785   2HD2  ASN 104          HD21      ASN 104  -3.393  -2.961 -14.080
  786    H    LEU 105           HN       LEU 105  -2.689  -4.973 -11.676
  787    HA   LEU 105           HA       LEU 105  -4.228  -6.742 -11.957
  788   1HB   LEU 105           HB2      LEU 105  -4.192  -6.268  -8.973
  789   2HB   LEU 105           HB1      LEU 105  -5.032  -7.638  -9.701
  790    HG   LEU 105           HG       LEU 105  -2.102  -7.011 -10.163
  791   1HD1  LEU 105          HD12      LEU 105  -3.423  -8.988  -8.278
  792   2HD1  LEU 105          HD11      LEU 105  -1.701  -8.959  -8.653
  793   3HD1  LEU 105          HD13      LEU 105  -2.444  -7.596  -7.818
  794   1HD2  LEU 105          HD22      LEU 105  -4.026  -9.115 -11.070
  795   2HD2  LEU 105          HD21      LEU 105  -2.691  -8.364 -11.945
  796   3HD2  LEU 105          HD23      LEU 105  -2.365  -9.609 -10.738
  797    H    ALA 106           HN       ALA 106  -5.444  -3.909 -12.039
  798    HA   ALA 106           HA       ALA 106  -7.564  -2.970 -12.309
  799   1HB   ALA 106           HB2      ALA 106  -7.947  -5.209 -13.470
  800   2HB   ALA 106           HB1      ALA 106  -8.648  -5.778 -11.954
  801   3HB   ALA 106           HB3      ALA 106  -9.392  -4.435 -12.820
  802    H    THR 107           HN       THR 107  -9.074  -2.045 -10.943
  803    HA   THR 107           HA       THR 107  -9.094  -3.022  -8.110
  804    HB   THR 107           HB       THR 107  -9.175  -0.773  -7.373
  805    HG1  THR 107           HG1      THR 107 -10.011  -0.127 -10.013
  806   1HG2  THR 107          HG21      THR 107  -7.064  -1.393  -8.678
  807   2HG2  THR 107          HG23      THR 107  -7.713  -0.385  -9.971
  808   3HG2  THR 107          HG22      THR 107  -7.361   0.321  -8.394
  809    H    ILE 108           HN       ILE 108 -11.309  -1.434  -7.257
  810    HA   ILE 108           HA       ILE 108 -13.564  -3.044  -8.064
  811    HB   ILE 108           HB       ILE 108 -13.438  -1.937  -5.845
  812   1HG1  ILE 108          HG12      ILE 108 -15.756  -0.532  -6.305
  813   2HG1  ILE 108          HG11      ILE 108 -15.703  -1.583  -7.718
  814   1HG2  ILE 108          HG22      ILE 108 -13.725   0.630  -7.442
  815   2HG2  ILE 108          HG21      ILE 108 -13.783   0.513  -5.684
  816   3HG2  ILE 108          HG23      ILE 108 -12.293   0.129  -6.545
  817   1HD1  ILE 108          HD11      ILE 108 -15.412  -2.539  -4.857
  818   2HD1  ILE 108          HD13      ILE 108 -16.904  -2.621  -5.793
  819   3HD1  ILE 108          HD12      ILE 108 -15.495  -3.554  -6.297
  820    H    HIS 109           HN       HIS 109 -12.247   0.051  -9.027
  821    HA   HIS 109           HA       HIS 109 -14.443   0.999 -10.615
  822   1HB   HIS 109           HB2      HIS 109 -11.487   1.635 -10.563
  823   2HB   HIS 109           HB1      HIS 109 -12.659   2.524 -11.539
  824    HD1  HIS 109           HD1      HIS 109 -14.553   3.824 -10.215
  825    HD2  HIS 109           HD2      HIS 109 -11.522   2.242  -7.831
  826    HE1  HIS 109           HE1      HIS 109 -14.772   4.925  -7.949
  827    H    GLY 110           HN       GLY 110 -12.513  -1.700 -11.240
  828   1HA   GLY 110           HA2      GLY 110 -12.083  -2.949 -13.166
  829   2HA   GLY 110           HA1      GLY 110 -13.456  -2.098 -13.877
  830    H    GLY 111           HN       GLY 111 -10.629  -0.423 -12.652
  831   1HA   GLY 111           HA2      GLY 111  -9.389  -0.126 -15.293
  832   2HA   GLY 111           HA1      GLY 111 -10.151   1.340 -14.674
  833    HA   PRO 112           HA       PRO 112  -5.844   0.749 -12.808
  834   1HB   PRO 112           HB2      PRO 112  -4.459   2.541 -14.390
  835   2HB   PRO 112           HB1      PRO 112  -4.556   0.802 -14.708
  836   1HG   PRO 112           HG2      PRO 112  -5.892   3.060 -16.105
  837   2HG   PRO 112           HG1      PRO 112  -5.535   1.432 -16.702
  838   1HD   PRO 112           HD2      PRO 112  -8.061   2.389 -15.809
  839   2HD   PRO 112           HD1      PRO 112  -7.637   0.706 -16.183
  840    H    PHE 113           HN       PHE 113  -7.359   1.971 -11.232
  841    HA   PHE 113           HA       PHE 113  -6.100   4.243 -10.194
  842   1HB   PHE 113           HB2      PHE 113  -7.651   6.091 -10.711
  843   2HB   PHE 113           HB1      PHE 113  -6.859   5.503 -12.161
  844    HD1  PHE 113           HD2      PHE 113 -10.036   5.545 -10.251
  845    HD2  PHE 113           HD1      PHE 113  -8.107   4.410 -13.918
  846    HE1  PHE 113           HE2      PHE 113 -12.251   5.182 -11.305
  847    HE2  PHE 113           HE1      PHE 113 -10.322   4.052 -14.974
  848    HZ   PHE 113           HZ       PHE 113 -12.396   4.446 -13.674
  849    H    CYS 114           HN       CYS 114  -7.331   5.258  -8.383
  850    HA   CYS 114           HA       CYS 114  -9.888   4.102  -7.591
  851   1HB   CYS 114           HB2      CYS 114  -9.153   2.931  -5.625
  852   2HB   CYS 114           HB1      CYS 114  -8.152   2.347  -6.949
  853    H    LEU 115           HN       LEU 115 -10.700   5.195  -5.577
  854    HA   LEU 115           HA       LEU 115 -11.086   7.176  -4.370
  855   1HB   LEU 115           HB2      LEU 115  -8.089   6.843  -4.195
  856   2HB   LEU 115           HB1      LEU 115  -8.921   8.169  -3.382
  857    HG   LEU 115           HG       LEU 115 -10.064   5.449  -2.995
  858   1HD1  LEU 115          HD11      LEU 115  -7.541   5.194  -2.834
  859   2HD1  LEU 115          HD13      LEU 115  -7.588   6.338  -1.493
  860   3HD1  LEU 115          HD12      LEU 115  -8.425   4.792  -1.362
  861   1HD2  LEU 115          HD23      LEU 115  -9.604   7.945  -1.349
  862   2HD2  LEU 115          HD22      LEU 115 -11.141   7.238  -1.849
  863   3HD2  LEU 115          HD21      LEU 115 -10.161   6.438  -0.619
  864    H    SER 116           HN       SER 116 -10.079   9.610  -4.214
  865    HA   SER 116           HA       SER 116 -10.063  11.665  -5.364
  866   1HB   SER 116           HB2      SER 116  -8.241  11.703  -7.173
  867   2HB   SER 116           HB1      SER 116  -7.741  11.259  -5.545
  868    HG   SER 116           HG       SER 116  -7.915   9.736  -7.859
  869    H    LEU 117           HN       LEU 117 -11.996   9.511  -6.414
  870    HA   LEU 117           HA       LEU 117 -12.134   9.662  -9.260
  871   1HB   LEU 117           HB2      LEU 117 -13.811   8.725  -7.024
  872   2HB   LEU 117           HB1      LEU 117 -14.751   9.267  -8.405
  873    HG   LEU 117           HG       LEU 117 -14.239   6.869  -8.595
  874   1HD1  LEU 117          HD11      LEU 117 -14.081   8.646 -10.589
  875   2HD1  LEU 117          HD13      LEU 117 -12.414   8.068 -10.630
  876   3HD1  LEU 117          HD12      LEU 117 -13.747   6.934 -10.844
  877   1HD2  LEU 117          HD21      LEU 117 -11.992   7.258  -7.294
  878   2HD2  LEU 117          HD23      LEU 117 -12.069   5.989  -8.516
  879   3HD2  LEU 117          HD22      LEU 117 -11.320   7.540  -8.899
  880    H    LEU 118           HN       LEU 118 -14.946  10.633  -9.577
  881    HA   LEU 118           HA       LEU 118 -14.579  13.250 -10.340
  882   1HB   LEU 118           HB2      LEU 118 -17.044  11.760  -9.485
  883   2HB   LEU 118           HB1      LEU 118 -17.132  13.482  -9.835
  884    HG   LEU 118           HG       LEU 118 -15.863  11.482 -11.712
  885   1HD1  LEU 118          HD11      LEU 118 -18.417  11.210 -11.103
  886   2HD1  LEU 118          HD13      LEU 118 -18.605  12.616 -12.152
  887   3HD1  LEU 118          HD12      LEU 118 -17.897  11.131 -12.786
  888   1HD2  LEU 118          HD21      LEU 118 -16.332  14.391 -11.688
  889   2HD2  LEU 118          HD23      LEU 118 -15.204  13.441 -12.656
  890   3HD2  LEU 118          HD22      LEU 118 -16.883  13.604 -13.168
  891    H    GLY 119           HN       GLY 119 -14.853  12.259  -6.982
  892   1HA   GLY 119           HA2      GLY 119 -14.116  13.813  -5.251
  893   2HA   GLY 119           HA1      GLY 119 -14.782  15.133  -6.212
  894    H    ALA 120           HN       ALA 120 -15.822  12.142  -4.566
  895    HA   ALA 120           HA       ALA 120 -17.762  11.641  -3.351
  896   1HB   ALA 120           HB3      ALA 120 -16.963  13.499  -1.952
  897   2HB   ALA 120           HB2      ALA 120 -17.797  14.651  -2.996
  898   3HB   ALA 120           HB1      ALA 120 -18.725  13.495  -2.038
  899    H    GLY 121           HN       GLY 121 -18.526  11.133  -5.637
  900   1HA   GLY 121           HA2      GLY 121 -20.722  12.934  -6.539
  901   2HA   GLY 121           HA1      GLY 121 -19.983  11.668  -7.522
  902    H    GLU 122           HN       GLU 122 -20.760  11.064  -4.168
  903    HA   GLU 122           HA       GLU 122 -22.720   9.002  -5.006
  904   1HB   GLU 122           HB2      GLU 122 -20.840   9.351  -2.801
  905   2HB   GLU 122           HB1      GLU 122 -22.447   8.931  -2.208
  906   1HG   GLU 122           HG2      GLU 122 -22.509   6.927  -3.495
  907   2HG   GLU 122           HG1      GLU 122 -21.121   7.417  -4.465
   
  No H/Q in entry =         907
  Start of MODEL           2
 Raw file had  930 H/Q atoms
  Start of MODEL    2
    1   1H    SER   1           HT3      SER   1 -30.933  -8.082   5.596
    2   2H    SER   1           HT2      SER   1 -29.668  -8.423   4.514
    3   3H    SER   1           HT1      SER   1 -30.409  -9.681   5.384
    4    HA   SER   1           HA       SER   1 -29.549  -8.839   7.452
    5   1HB   SER   1           HB2      SER   1 -28.148 -10.263   5.751
    6   2HB   SER   1           HB1      SER   1 -27.221  -8.779   5.548
    7    HG   SER   1           HG       SER   1 -26.524 -10.291   7.254
    8    H    VAL   2           HN       VAL   2 -28.270  -7.235   8.556
    9    HA   VAL   2           HA       VAL   2 -28.820  -4.559   8.071
   10    HB   VAL   2           HB       VAL   2 -26.847  -4.027   9.497
   11   1HG1  VAL   2          HG12      VAL   2 -28.974  -4.769  10.513
   12   2HG1  VAL   2          HG11      VAL   2 -28.450  -6.447  10.379
   13   3HG1  VAL   2          HG13      VAL   2 -27.593  -5.338  11.450
   14   1HG2  VAL   2          HG23      VAL   2 -26.235  -6.904   8.856
   15   2HG2  VAL   2          HG22      VAL   2 -25.152  -5.512   8.846
   16   3HG2  VAL   2          HG21      VAL   2 -25.686  -6.203  10.377
   17    H    GLY   3           HN       GLY   3 -25.916  -6.310   6.895
   18   1HA   GLY   3           HA2      GLY   3 -25.553  -5.307   4.421
   19   2HA   GLY   3           HA1      GLY   3 -25.011  -3.939   5.394
   20    H    THR   4           HN       THR   4 -22.987  -4.680   4.006
   21    HA   THR   4           HA       THR   4 -21.214  -6.150   5.848
   22    HB   THR   4           HB       THR   4 -22.050  -7.967   4.461
   23    HG1  THR   4           HG1      THR   4 -19.769  -7.832   4.893
   24   1HG2  THR   4          HG21      THR   4 -21.551  -5.982   2.275
   25   2HG2  THR   4          HG23      THR   4 -21.422  -7.702   1.908
   26   3HG2  THR   4          HG22      THR   4 -22.937  -7.044   2.526
   27    H    SER   5           HN       SER   5 -21.096  -3.501   5.464
   28    HA   SER   5           HA       SER   5 -19.603  -2.469   3.278
   29   1HB   SER   5           HB2      SER   5 -19.039  -0.606   4.792
   30   2HB   SER   5           HB1      SER   5 -20.737  -1.046   4.947
   31    HG   SER   5           HG       SER   5 -18.632  -1.327   6.731
   32    H    CYS   6           HN       CYS   6 -17.295  -1.326   4.155
   33    HA   CYS   6           HA       CYS   6 -15.468  -3.622   4.294
   34   1HB   CYS   6           HB2      CYS   6 -15.110  -0.651   3.918
   35   2HB   CYS   6           HB1      CYS   6 -13.728  -1.707   4.211
   36    H    ILE   7           HN       ILE   7 -14.816  -4.434   6.199
   37    HA   ILE   7           HA       ILE   7 -14.611  -2.619   8.563
   38    HB   ILE   7           HB       ILE   7 -16.477  -4.226   8.765
   39   1HG1  ILE   7          HG12      ILE   7 -15.488  -5.515  10.827
   40   2HG1  ILE   7          HG11      ILE   7 -14.063  -4.522  10.531
   41   1HG2  ILE   7          HG22      ILE   7 -14.679  -5.980   7.466
   42   2HG2  ILE   7          HG21      ILE   7 -14.938  -6.659   9.071
   43   3HG2  ILE   7          HG23      ILE   7 -16.314  -6.338   8.014
   44   1HD1  ILE   7          HD11      ILE   7 -15.994  -2.624  10.362
   45   2HD1  ILE   7          HD13      ILE   7 -16.753  -3.731  11.506
   46   3HD1  ILE   7          HD12      ILE   7 -15.176  -3.031  11.870
   47    HA   PRO   8           HA       PRO   8 -10.362  -3.981   8.392
   48   1HB   PRO   8           HB2      PRO   8  -9.515  -3.055  10.843
   49   2HB   PRO   8           HB1      PRO   8  -9.738  -2.021   9.422
   50   1HG   PRO   8           HG2      PRO   8 -11.456  -2.277  11.844
   51   2HG   PRO   8           HG1      PRO   8 -11.251  -0.896  10.753
   52   1HD   PRO   8           HD2      PRO   8 -13.435  -2.681  10.758
   53   2HD   PRO   8           HD1      PRO   8 -13.034  -1.531   9.466
   54    H    GLY   9           HN       GLY   9  -8.885  -5.533   9.508
   55   1HA   GLY   9           HA2      GLY   9  -8.375  -7.393  10.852
   56   2HA   GLY   9           HA1      GLY   9  -9.795  -7.038  11.829
   57    H    MET  10           HN       MET  10 -10.810  -7.115   8.641
   58    HA   MET  10           HA       MET  10 -11.348 -10.048   8.662
   59   1HB   MET  10           HB2      MET  10 -13.310  -7.795   8.149
   60   2HB   MET  10           HB1      MET  10 -13.643  -9.488   7.781
   61   1HG   MET  10           HG2      MET  10 -12.699  -8.723  10.530
   62   2HG   MET  10           HG1      MET  10 -14.396  -8.508  10.096
   63   1HE   MET  10           HE2      MET  10 -15.229  -9.757  11.723
   64   2HE   MET  10           HE1      MET  10 -16.143 -10.645  10.507
   65   3HE   MET  10           HE3      MET  10 -15.341 -11.512  11.823
   66    H    ALA  11           HN       ALA  11  -9.998 -10.588   6.771
   67    HA   ALA  11           HA       ALA  11  -9.641 -10.798   4.450
   68   1HB   ALA  11           HB3      ALA  11 -11.998  -9.503   4.262
   69   2HB   ALA  11           HB2      ALA  11 -10.930  -8.202   3.736
   70   3HB   ALA  11           HB1      ALA  11 -10.940  -9.738   2.870
   71    H    ILE  12           HN       ILE  12  -9.685  -7.382   5.507
   72    HA   ILE  12           HA       ILE  12  -6.937  -7.022   4.457
   73    HB   ILE  12           HB       ILE  12  -8.858  -4.942   5.544
   74   1HG1  ILE  12          HG12      ILE  12  -8.250  -5.602   2.648
   75   2HG1  ILE  12          HG11      ILE  12  -9.687  -6.172   3.497
   76   1HG2  ILE  12          HG22      ILE  12  -6.156  -4.888   4.241
   77   2HG2  ILE  12          HG21      ILE  12  -7.270  -3.551   3.954
   78   3HG2  ILE  12          HG23      ILE  12  -6.760  -3.938   5.598
   79   1HD1  ILE  12          HD12      ILE  12 -10.231  -3.771   4.032
   80   2HD1  ILE  12          HD11      ILE  12  -8.900  -3.293   2.978
   81   3HD1  ILE  12          HD13      ILE  12 -10.288  -4.153   2.311
   82    HA   PRO  13           HA       PRO  13  -6.236  -7.567   8.941
   83   1HB   PRO  13           HB2      PRO  13  -3.644  -8.458   8.770
   84   2HB   PRO  13           HB1      PRO  13  -5.066  -9.495   8.584
   85   1HG   PRO  13           HG2      PRO  13  -3.163  -8.564   6.518
   86   2HG   PRO  13           HG1      PRO  13  -4.289  -9.928   6.464
   87   1HD   PRO  13           HD2      PRO  13  -4.597  -7.344   5.258
   88   2HD   PRO  13           HD1      PRO  13  -5.769  -8.685   5.242
   89    H    HIS  14           HN       HIS  14  -4.434  -6.795  10.462
   90    HA   HIS  14           HA       HIS  14  -3.930  -3.995   9.995
   91   1HB   HIS  14           HB2      HIS  14  -2.934  -5.851  12.196
   92   2HB   HIS  14           HB1      HIS  14  -2.991  -4.109  12.256
   93    HD1  HIS  14           HD1      HIS  14  -5.092  -3.072  13.187
   94    HD2  HIS  14           HD2      HIS  14  -5.662  -7.026  12.010
   95    HE1  HIS  14           HE1      HIS  14  -7.428  -3.726  13.966
   96    H    ASN  15           HN       ASN  15  -1.803  -3.009   9.675
   97    HA   ASN  15           HA       ASN  15   0.427  -2.849   9.027
   98   1HB   ASN  15           HB2      ASN  15   0.639  -4.437  11.056
   99   2HB   ASN  15           HB1      ASN  15   0.819  -5.721   9.861
  100   1HD2  ASN  15          HD22      ASN  15   4.107  -3.845  10.799
  101   2HD2  ASN  15          HD21      ASN  15   2.783  -4.184  11.807
  102    HA   PRO  16           HA       PRO  16  -0.436  -5.428   5.196
  103   1HB   PRO  16           HB2      PRO  16  -1.638  -3.531   3.633
  104   2HB   PRO  16           HB1      PRO  16  -2.548  -4.611   4.704
  105   1HG   PRO  16           HG2      PRO  16  -1.948  -1.713   5.037
  106   2HG   PRO  16           HG1      PRO  16  -3.289  -2.663   5.695
  107   1HD   PRO  16           HD2      PRO  16  -0.951  -1.850   7.101
  108   2HD   PRO  16           HD1      PRO  16  -2.183  -3.005   7.647
  109    H    LEU  17           HN       LEU  17   0.384  -4.905   2.956
  110    HA   LEU  17           HA       LEU  17   2.209  -4.317   1.617
  111   1HB   LEU  17           HB2      LEU  17   1.448  -1.563   2.627
  112   2HB   LEU  17           HB1      LEU  17   2.269  -1.937   1.111
  113    HG   LEU  17           HG       LEU  17  -0.461  -3.043   1.806
  114   1HD1  LEU  17          HD13      LEU  17  -0.529  -0.562   1.752
  115   2HD1  LEU  17          HD12      LEU  17   0.210  -0.591   0.150
  116   3HD1  LEU  17          HD11      LEU  17  -1.399  -1.271   0.392
  117   1HD2  LEU  17          HD22      LEU  17   1.277  -3.884  -0.076
  118   2HD2  LEU  17          HD21      LEU  17  -0.467  -3.898  -0.331
  119   3HD2  LEU  17          HD23      LEU  17   0.507  -2.576  -0.973
  120    H    ASP  18           HN       ASP  18   3.227  -5.232   4.032
  121    HA   ASP  18           HA       ASP  18   5.130  -3.320   5.160
  122   1HB   ASP  18           HB2      ASP  18   6.090  -5.317   6.315
  123   2HB   ASP  18           HB1      ASP  18   4.348  -5.164   6.555
  124    H    SER  19           HN       SER  19   5.278  -6.000   2.878
  125    HA   SER  19           HA       SER  19   8.097  -5.899   2.351
  126   1HB   SER  19           HB2      SER  19   6.196  -7.646   1.641
  127   2HB   SER  19           HB1      SER  19   6.194  -6.669   0.175
  128    HG   SER  19           HG       SER  19   7.724  -8.494   0.281
  129    H    CYS  20           HN       CYS  20   5.366  -4.003   1.286
  130    HA   CYS  20           HA       CYS  20   6.670  -2.782  -0.994
  131   1HB   CYS  20           HB2      CYS  20   4.318  -1.737   0.593
  132   2HB   CYS  20           HB1      CYS  20   4.746  -1.333  -1.070
  133    H    ARG  21           HN       ARG  21   6.318  -2.027   2.447
  134    HA   ARG  21           HA       ARG  21   7.361   0.635   2.251
  135   1HB   ARG  21           HB2      ARG  21   6.071   0.229   4.174
  136   2HB   ARG  21           HB1      ARG  21   6.936  -1.231   4.600
  137   1HG   ARG  21           HG2      ARG  21   8.759   1.036   4.493
  138   2HG   ARG  21           HG1      ARG  21   7.401   1.383   5.558
  139   1HD   ARG  21           HD2      ARG  21   7.824  -0.913   6.609
  140   2HD   ARG  21           HD1      ARG  21   9.355  -0.917   5.733
  141    HE   ARG  21           HE       ARG  21   9.845   1.263   6.985
  142   1HH1  ARG  21          HH11      ARG  21   8.742  -1.597   8.352
  143   2HH1  ARG  21          HH12      ARG  21   8.408  -0.928   9.913
  144   1HH2  ARG  21          HH21      ARG  21   8.925   2.352   8.917
  145   2HH2  ARG  21          HH22      ARG  21   8.511   1.306  10.234
  146    H    TRP  22           HN       TRP  22   8.967  -2.527   3.063
  147    HA   TRP  22           HA       TRP  22  11.564  -1.253   3.308
  148   1HB   TRP  22           HB2      TRP  22  10.773  -4.138   3.076
  149   2HB   TRP  22           HB1      TRP  22  12.447  -3.640   2.941
  150    HD1  TRP  22           HD1      TRP  22  10.183  -4.730   5.447
  151    HE1  TRP  22           HE1      TRP  22  10.912  -3.940   7.806
  152    HE3  TRP  22           HE3      TRP  22  13.481  -1.269   4.063
  153    HZ2  TRP  22           HZ2      TRP  22  12.749  -1.999   8.927
  154    HZ3  TRP  22           HZ3      TRP  22  14.758   0.089   5.741
  155    HH2  TRP  22           HH2      TRP  22  14.388  -0.282   8.173
  156    H    TYR  23           HN       TYR  23   9.684  -2.600   0.691
  157    HA   TYR  23           HA       TYR  23  11.794  -2.852  -1.228
  158   1HB   TYR  23           HB2      TYR  23   9.552  -3.895  -1.511
  159   2HB   TYR  23           HB1      TYR  23   8.861  -2.291  -1.771
  160    HD1  TYR  23           HD1      TYR  23  11.850  -4.246  -2.961
  161    HD2  TYR  23           HD2      TYR  23   8.555  -1.692  -3.996
  162    HE1  TYR  23           HE1      TYR  23  12.527  -4.339  -5.343
  163    HE2  TYR  23           HE2      TYR  23   9.234  -1.783  -6.379
  164    HH   TYR  23           HH       TYR  23  11.477  -4.034  -7.565
  165    H    VAL  24           HN       VAL  24   9.807  -0.125  -0.124
  166    HA   VAL  24           HA       VAL  24  10.685   1.679  -2.239
  167    HB   VAL  24           HB       VAL  24   9.769   2.423   0.544
  168   1HG1  VAL  24          HG13      VAL  24  10.021   3.952  -2.055
  169   2HG1  VAL  24          HG12      VAL  24   9.145   4.565  -0.652
  170   3HG1  VAL  24          HG11      VAL  24  10.876   4.256  -0.543
  171   1HG2  VAL  24          HG21      VAL  24   8.293   1.299  -1.699
  172   2HG2  VAL  24          HG23      VAL  24   7.722   1.669  -0.073
  173   3HG2  VAL  24          HG22      VAL  24   7.708   2.917  -1.318
  174    H    SER  25           HN       SER  25  11.722   0.884   1.075
  175    HA   SER  25           HA       SER  25  13.759   2.821   1.372
  176   1HB   SER  25           HB2      SER  25  14.253   0.025   2.331
  177   2HB   SER  25           HB1      SER  25  14.572   1.553   3.143
  178    HG   SER  25           HG       SER  25  12.294   1.800   3.352
  179    H    THR  26           HN       THR  26  13.867  -0.318  -0.283
  180    HA   THR  26           HA       THR  26  16.707  -0.194  -0.878
  181    HB   THR  26           HB       THR  26  14.521  -1.991  -1.974
  182    HG1  THR  26           HG1      THR  26  14.679  -2.621   0.028
  183   1HG2  THR  26          HG22      THR  26  17.427  -1.804  -2.512
  184   2HG2  THR  26          HG21      THR  26  16.829  -3.422  -2.147
  185   3HG2  THR  26          HG23      THR  26  16.143  -2.512  -3.492
  186    H    ARG  27           HN       ARG  27  13.821   0.127  -3.003
  187    HA   ARG  27           HA       ARG  27  15.307   0.686  -5.376
  188   1HB   ARG  27           HB2      ARG  27  12.705   0.150  -4.926
  189   2HB   ARG  27           HB1      ARG  27  12.606   1.903  -5.095
  190   1HG   ARG  27           HG2      ARG  27  12.333   1.047  -7.301
  191   2HG   ARG  27           HG1      ARG  27  13.997   1.627  -7.229
  192   1HD   ARG  27           HD2      ARG  27  14.675  -0.746  -6.608
  193   2HD   ARG  27           HD1      ARG  27  13.032  -1.234  -7.021
  194    HE   ARG  27           HE       ARG  27  14.256   0.285  -9.164
  195   1HH1  ARG  27          HH11      ARG  27  12.655  -1.741 -10.191
  196   2HH1  ARG  27          HH12      ARG  27  13.699  -3.093 -10.478
  197   1HH2  ARG  27          HH21      ARG  27  16.231  -1.915  -8.423
  198   2HH2  ARG  27          HH22      ARG  27  15.722  -3.192  -9.477
  199    H    THR  28           HN       THR  28  14.360   2.711  -2.712
  200    HA   THR  28           HA       THR  28  14.892   5.183  -4.219
  201    HB   THR  28           HB       THR  28  13.990   6.339  -2.271
  202    HG1  THR  28           HG1      THR  28  14.183   5.459  -0.403
  203   1HG2  THR  28          HG21      THR  28  12.476   3.857  -3.075
  204   2HG2  THR  28          HG23      THR  28  11.772   5.156  -2.114
  205   3HG2  THR  28          HG22      THR  28  12.324   5.476  -3.757
  206    H    CYS  29           HN       CYS  29  16.072   3.925  -1.025
  207    HA   CYS  29           HA       CYS  29  18.507   5.584  -1.401
  208   1HB   CYS  29           HB2      CYS  29  17.862   4.059   1.105
  209   2HB   CYS  29           HB1      CYS  29  18.822   5.524   0.921
  210    H    GLY  30           HN       GLY  30  17.740   2.594  -2.292
  211   1HA   GLY  30           HA2      GLY  30  18.965   0.610  -2.692
  212   2HA   GLY  30           HA1      GLY  30  20.409   1.611  -2.523
  213    H    VAL  31           HN       VAL  31  18.107   1.480   0.100
  214    HA   VAL  31           HA       VAL  31  20.002  -0.211   1.687
  215    HB   VAL  31           HB       VAL  31  18.194   1.981   2.753
  216   1HG1  VAL  31          HG12      VAL  31  20.323   0.193   3.909
  217   2HG1  VAL  31          HG11      VAL  31  19.990   1.764   4.635
  218   3HG1  VAL  31          HG13      VAL  31  18.714   0.550   4.539
  219   1HG2  VAL  31          HG21      VAL  31  20.904   2.063   1.536
  220   2HG2  VAL  31          HG23      VAL  31  19.694   3.339   1.678
  221   3HG2  VAL  31          HG22      VAL  31  20.721   2.942   3.055
  222    H    GLY  32           HN       GLY  32  18.876  -1.357   3.546
  223   1HA   GLY  32           HA2      GLY  32  16.452  -1.949   4.319
  224   2HA   GLY  32           HA1      GLY  32  16.264  -2.382   2.615
  225    HA   PRO  33           HA       PRO  33  18.167  -6.002   5.071
  226   1HB   PRO  33           HB2      PRO  33  16.270  -7.915   4.425
  227   2HB   PRO  33           HB1      PRO  33  16.262  -6.962   5.919
  228   1HG   PRO  33           HG2      PRO  33  14.614  -6.607   3.442
  229   2HG   PRO  33           HG1      PRO  33  14.176  -6.313   5.135
  230   1HD   PRO  33           HD2      PRO  33  14.806  -4.311   3.379
  231   2HD   PRO  33           HD1      PRO  33  15.050  -4.181   5.135
  232    H    ARG  34           HN       ARG  34  18.869  -8.167   3.947
  233    HA   ARG  34           HA       ARG  34  19.573  -7.474   1.162
  234   1HB   ARG  34           HB2      ARG  34  20.563  -9.700   2.973
  235   2HB   ARG  34           HB1      ARG  34  21.192  -9.347   1.363
  236   1HG   ARG  34           HG2      ARG  34  21.274  -6.871   2.629
  237   2HG   ARG  34           HG1      ARG  34  21.727  -7.993   3.911
  238   1HD   ARG  34           HD2      ARG  34  23.794  -7.573   2.910
  239   2HD   ARG  34           HD1      ARG  34  23.285  -9.032   2.061
  240    HE   ARG  34           HE       ARG  34  22.452  -6.552   0.749
  241   1HH1  ARG  34          HH11      ARG  34  25.555  -7.167   1.300
  242   2HH1  ARG  34          HH12      ARG  34  25.996  -7.671  -0.297
  243   1HH2  ARG  34          HH21      ARG  34  22.720  -7.977  -1.392
  244   2HH2  ARG  34          HH22      ARG  34  24.392  -8.130  -1.820
  245    H    LEU  35           HN       LEU  35  17.445  -7.853   0.336
  246    HA   LEU  35           HA       LEU  35  16.825 -10.744  -0.133
  247   1HB   LEU  35           HB2      LEU  35  15.012  -8.376   0.344
  248   2HB   LEU  35           HB1      LEU  35  14.433  -9.780  -0.548
  249    HG   LEU  35           HG       LEU  35  13.861  -9.964   1.839
  250   1HD1  LEU  35          HD11      LEU  35  14.741 -11.950   0.326
  251   2HD1  LEU  35          HD13      LEU  35  16.074 -11.948   1.482
  252   3HD1  LEU  35          HD12      LEU  35  14.421 -12.202   2.042
  253   1HD2  LEU  35          HD22      LEU  35  16.176  -8.676   2.346
  254   2HD2  LEU  35          HD21      LEU  35  15.360  -9.671   3.551
  255   3HD2  LEU  35          HD23      LEU  35  16.707 -10.335   2.625
  256    H    ALA  36           HN       ALA  36  15.174 -10.642  -2.244
  257    HA   ALA  36           HA       ALA  36  16.814  -9.296  -4.323
  258   1HB   ALA  36           HB2      ALA  36  16.387 -11.751  -4.520
  259   2HB   ALA  36           HB1      ALA  36  14.665 -11.403  -4.680
  260   3HB   ALA  36           HB3      ALA  36  15.797 -10.835  -5.907
  261    H    THR  37           HN       THR  37  15.853  -7.726  -5.730
  262    HA   THR  37           HA       THR  37  13.585  -6.263  -4.787
  263    HB   THR  37           HB       THR  37  13.752  -5.374  -7.303
  264    HG1  THR  37           HG1      THR  37  15.162  -6.690  -8.216
  265   1HG2  THR  37          HG21      THR  37  14.487  -4.387  -4.971
  266   2HG2  THR  37          HG23      THR  37  16.107  -4.775  -5.550
  267   3HG2  THR  37          HG22      THR  37  15.085  -3.665  -6.465
  268    H    GLN  38           HN       GLN  38  13.876  -8.329  -7.697
  269    HA   GLN  38           HA       GLN  38  11.230  -8.095  -8.608
  270   1HB   GLN  38           HB2      GLN  38  13.407  -9.555  -9.388
  271   2HB   GLN  38           HB1      GLN  38  12.339 -10.830  -8.802
  272   1HG   GLN  38           HG2      GLN  38  11.407  -8.677 -10.712
  273   2HG   GLN  38           HG1      GLN  38  12.070 -10.215 -11.263
  274   1HE2  GLN  38          HE22      GLN  38   8.227 -10.152 -10.425
  275   2HE2  GLN  38          HE21      GLN  38   9.163  -8.828 -10.926
  276    H    GLU  39           HN       GLU  39  12.471 -10.463  -6.265
  277    HA   GLU  39           HA       GLU  39  10.007 -11.837  -5.807
  278   1HB   GLU  39           HB2      GLU  39  12.384 -11.446  -3.960
  279   2HB   GLU  39           HB1      GLU  39  11.089 -12.616  -3.709
  280   1HG   GLU  39           HG2      GLU  39  11.678 -13.460  -6.092
  281   2HG   GLU  39           HG1      GLU  39  13.187 -12.572  -5.871
  282    H    MET  40           HN       MET  40  11.389  -8.893  -4.465
  283    HA   MET  40           HA       MET  40   9.613  -8.589  -2.221
  284   1HB   MET  40           HB2      MET  40  11.814  -7.309  -2.854
  285   2HB   MET  40           HB1      MET  40  10.729  -6.252  -3.744
  286   1HG   MET  40           HG2      MET  40  10.948  -5.301  -1.551
  287   2HG   MET  40           HG1      MET  40   9.349  -6.043  -1.627
  288   1HE   MET  40           HE1      MET  40  12.907  -6.417  -1.044
  289   2HE   MET  40           HE3      MET  40  12.697  -6.065   0.677
  290   3HE   MET  40           HE2      MET  40  13.167  -7.681   0.155
  291    H    LYS  41           HN       LYS  41   9.660  -6.937  -5.368
  292    HA   LYS  41           HA       LYS  41   7.184  -5.613  -5.219
  293   1HB   LYS  41           HB2      LYS  41   8.942  -5.378  -7.034
  294   2HB   LYS  41           HB1      LYS  41   8.289  -6.849  -7.753
  295   1HG   LYS  41           HG2      LYS  41   6.993  -5.322  -8.882
  296   2HG   LYS  41           HG1      LYS  41   5.991  -5.500  -7.442
  297   1HD   LYS  41           HD2      LYS  41   6.482  -3.409  -6.681
  298   2HD   LYS  41           HD1      LYS  41   8.164  -3.506  -7.203
  299   1HE   LYS  41           HE2      LYS  41   7.303  -3.267  -9.591
  300   2HE   LYS  41           HE1      LYS  41   5.740  -2.850  -8.890
  301   1HZ   LYS  41           HZ3      LYS  41   6.827  -1.056  -7.667
  302   2HZ   LYS  41           HZ2      LYS  41   8.309  -1.443  -8.403
  303   3HZ   LYS  41           HZ1      LYS  41   7.014  -0.868  -9.342
  304    H    ALA  42           HN       ALA  42   7.894  -8.947  -6.144
  305    HA   ALA  42           HA       ALA  42   5.297  -9.695  -7.077
  306   1HB   ALA  42           HB2      ALA  42   7.724 -11.139  -6.108
  307   2HB   ALA  42           HB1      ALA  42   6.206 -12.035  -6.146
  308   3HB   ALA  42           HB3      ALA  42   6.845 -11.319  -7.626
  309    H    ARG  43           HN       ARG  43   6.840  -9.738  -3.901
  310    HA   ARG  43           HA       ARG  43   4.755 -11.015  -2.437
  311   1HB   ARG  43           HB2      ARG  43   7.269  -9.859  -1.861
  312   2HB   ARG  43           HB1      ARG  43   6.112  -8.990  -0.856
  313   1HG   ARG  43           HG2      ARG  43   6.350 -12.011  -1.017
  314   2HG   ARG  43           HG1      ARG  43   6.998 -11.011   0.286
  315   1HD   ARG  43           HD2      ARG  43   4.787 -10.283   0.923
  316   2HD   ARG  43           HD1      ARG  43   4.071 -11.041  -0.498
  317    HE   ARG  43           HE       ARG  43   4.782 -13.251   0.527
  318   1HH1  ARG  43          HH11      ARG  43   5.969 -11.117   2.692
  319   2HH1  ARG  43          HH12      ARG  43   5.029 -11.635   4.051
  320   1HH2  ARG  43          HH21      ARG  43   2.907 -13.622   2.161
  321   2HH2  ARG  43          HH22      ARG  43   3.295 -13.054   3.751
  322    H    CYS  44           HN       CYS  44   5.325  -7.620  -3.304
  323    HA   CYS  44           HA       CYS  44   3.190  -6.498  -1.744
  324   1HB   CYS  44           HB2      CYS  44   4.675  -5.544  -4.176
  325   2HB   CYS  44           HB1      CYS  44   3.275  -4.670  -3.546
  326    H    CYS  45           HN       CYS  45   3.365  -7.938  -4.997
  327    HA   CYS  45           HA       CYS  45   0.699  -7.103  -5.805
  328   1HB   CYS  45           HB2      CYS  45   2.610  -9.199  -6.857
  329   2HB   CYS  45           HB1      CYS  45   0.993  -9.002  -7.518
  330    H    ARG  46           HN       ARG  46   2.021  -9.861  -4.061
  331    HA   ARG  46           HA       ARG  46  -0.403 -11.465  -4.192
  332   1HB   ARG  46           HB2      ARG  46   2.051 -12.164  -3.579
  333   2HB   ARG  46           HB1      ARG  46   1.601 -11.679  -1.955
  334   1HG   ARG  46           HG2      ARG  46  -0.185 -13.251  -1.851
  335   2HG   ARG  46           HG1      ARG  46  -0.091 -13.581  -3.581
  336   1HD   ARG  46           HD2      ARG  46   1.970 -14.748  -3.352
  337   2HD   ARG  46           HD1      ARG  46   2.228 -14.130  -1.721
  338    HE   ARG  46           HE       ARG  46   0.408 -15.616  -0.956
  339   1HH1  ARG  46          HH11      ARG  46   0.039 -15.741  -4.227
  340   2HH1  ARG  46          HH12      ARG  46   0.114 -17.466  -4.377
  341   1HH2  ARG  46          HH21      ARG  46   1.167 -17.971  -1.113
  342   2HH2  ARG  46          HH22      ARG  46   0.752 -18.727  -2.615
  343    H    GLN  47           HN       GLN  47   0.915  -8.977  -2.085
  344    HA   GLN  47           HA       GLN  47  -1.082  -9.297   0.020
  345   1HB   GLN  47           HB2      GLN  47   0.755  -6.971  -0.621
  346   2HB   GLN  47           HB1      GLN  47  -0.142  -7.187   0.880
  347   1HG   GLN  47           HG2      GLN  47   1.355  -9.591   0.305
  348   2HG   GLN  47           HG1      GLN  47   2.434  -8.199   0.243
  349   1HE2  GLN  47          HE22      GLN  47   2.669  -8.412   3.757
  350   2HE2  GLN  47          HE21      GLN  47   3.484  -8.451   2.269
  351    H    LEU  48           HN       LEU  48  -0.754  -7.373  -2.900
  352    HA   LEU  48           HA       LEU  48  -2.945  -5.566  -2.359
  353   1HB   LEU  48           HB2      LEU  48  -0.970  -5.298  -4.051
  354   2HB   LEU  48           HB1      LEU  48  -1.984  -6.260  -5.128
  355    HG   LEU  48           HG       LEU  48  -3.800  -4.447  -4.174
  356   1HD1  LEU  48          HD11      LEU  48  -1.916  -3.257  -3.001
  357   2HD1  LEU  48          HD13      LEU  48  -1.212  -2.925  -4.583
  358   3HD1  LEU  48          HD12      LEU  48  -2.785  -2.251  -4.158
  359   1HD2  LEU  48          HD21      LEU  48  -3.058  -5.183  -6.578
  360   2HD2  LEU  48          HD23      LEU  48  -3.823  -3.607  -6.362
  361   3HD2  LEU  48          HD22      LEU  48  -2.070  -3.723  -6.526
  362    H    GLU  49           HN       GLU  49  -2.571  -8.668  -4.010
  363    HA   GLU  49           HA       GLU  49  -5.282  -8.725  -5.058
  364   1HB   GLU  49           HB2      GLU  49  -3.175 -10.132  -5.785
  365   2HB   GLU  49           HB1      GLU  49  -3.672 -11.210  -4.482
  366   1HG   GLU  49           HG2      GLU  49  -4.699 -11.971  -6.549
  367   2HG   GLU  49           HG1      GLU  49  -5.957 -11.310  -5.504
  368    H    ALA  50           HN       ALA  50  -3.635  -9.871  -2.139
  369    HA   ALA  50           HA       ALA  50  -5.780 -11.372  -0.976
  370   1HB   ALA  50           HB1      ALA  50  -3.471  -9.818   0.219
  371   2HB   ALA  50           HB3      ALA  50  -4.632 -10.682   1.227
  372   3HB   ALA  50           HB2      ALA  50  -3.639 -11.567   0.069
  373    H    ILE  51           HN       ILE  51  -4.927  -7.970  -1.000
  374    HA   ILE  51           HA       ILE  51  -7.223  -7.110   0.623
  375    HB   ILE  51           HB       ILE  51  -5.267  -5.484  -1.045
  376   1HG1  ILE  51          HG12      ILE  51  -5.224  -5.785   1.955
  377   2HG1  ILE  51          HG11      ILE  51  -4.388  -6.948   0.927
  378   1HG2  ILE  51          HG23      ILE  51  -7.184  -4.705   1.175
  379   2HG2  ILE  51          HG22      ILE  51  -6.029  -3.620   0.400
  380   3HG2  ILE  51          HG21      ILE  51  -7.363  -4.302  -0.533
  381   1HD1  ILE  51          HD13      ILE  51  -3.919  -4.076   0.318
  382   2HD1  ILE  51          HD12      ILE  51  -3.215  -4.684   1.817
  383   3HD1  ILE  51          HD11      ILE  51  -2.792  -5.433   0.278
  384    HA   PRO  52           HA       PRO  52  -9.505  -7.721  -3.259
  385   1HB   PRO  52           HB2      PRO  52 -11.980  -6.988  -2.257
  386   2HB   PRO  52           HB1      PRO  52 -11.284  -8.616  -2.156
  387   1HG   PRO  52           HG2      PRO  52 -11.404  -6.480  -0.044
  388   2HG   PRO  52           HG1      PRO  52 -11.542  -8.241   0.131
  389   1HD   PRO  52           HD2      PRO  52  -9.236  -6.870   0.736
  390   2HD   PRO  52           HD1      PRO  52  -9.237  -8.552   0.161
  391    H    ALA  53           HN       ALA  53 -10.039  -6.395  -4.894
  392    HA   ALA  53           HA       ALA  53  -9.208  -3.751  -5.069
  393   1HB   ALA  53           HB1      ALA  53 -10.025  -5.437  -6.885
  394   2HB   ALA  53           HB3      ALA  53 -11.592  -4.664  -6.645
  395   3HB   ALA  53           HB2      ALA  53 -10.209  -3.706  -7.172
  396    H    TYR  54           HN       TYR  54 -12.212  -4.935  -3.725
  397    HA   TYR  54           HA       TYR  54 -14.014  -2.850  -3.929
  398   1HB   TYR  54           HB2      TYR  54 -13.635  -5.093  -2.218
  399   2HB   TYR  54           HB1      TYR  54 -13.998  -3.719  -1.178
  400    HD1  TYR  54           HD2      TYR  54 -16.029  -2.244  -1.826
  401    HD2  TYR  54           HD1      TYR  54 -15.351  -6.186  -3.391
  402    HE1  TYR  54           HE2      TYR  54 -18.423  -2.406  -2.454
  403    HE2  TYR  54           HE1      TYR  54 -17.744  -6.348  -4.020
  404    HH   TYR  54           HH       TYR  54 -19.661  -4.176  -4.533
  405    H    CYS  55           HN       CYS  55 -12.030  -3.107  -0.962
  406    HA   CYS  55           HA       CYS  55 -12.011  -0.107  -0.816
  407   1HB   CYS  55           HB2      CYS  55 -12.033  -2.291   1.258
  408   2HB   CYS  55           HB1      CYS  55 -11.444  -0.676   1.659
  409    H    ARG  56           HN       ARG  56  -9.960  -2.010  -2.248
  410    HA   ARG  56           HA       ARG  56  -7.529  -2.388  -1.034
  411   1HB   ARG  56           HB2      ARG  56  -8.372  -1.611  -3.759
  412   2HB   ARG  56           HB1      ARG  56  -6.689  -1.251  -3.383
  413   1HG   ARG  56           HG2      ARG  56  -6.583  -3.682  -2.479
  414   2HG   ARG  56           HG1      ARG  56  -8.080  -3.929  -3.381
  415   1HD   ARG  56           HD2      ARG  56  -6.751  -2.790  -5.343
  416   2HD   ARG  56           HD1      ARG  56  -5.339  -3.274  -4.415
  417    HE   ARG  56           HE       ARG  56  -6.626  -5.640  -4.543
  418   1HH1  ARG  56          HH21      ARG  56  -7.767  -3.645  -6.872
  419   2HH1  ARG  56          HH22      ARG  56  -7.116  -4.506  -8.225
  420   1HH2  ARG  56          HH11      ARG  56  -5.115  -6.572  -6.297
  421   2HH2  ARG  56          HH12      ARG  56  -5.626  -6.169  -7.901
  422    H    CYS  57           HN       CYS  57  -7.627   0.602  -2.998
  423    HA   CYS  57           HA       CYS  57  -5.658   2.111  -1.901
  424   1HB   CYS  57           HB2      CYS  57  -8.432   3.124  -2.565
  425   2HB   CYS  57           HB1      CYS  57  -7.009   4.152  -2.380
  426    H    GLU  58           HN       GLU  58  -8.755   1.670  -0.077
  427    HA   GLU  58           HA       GLU  58  -8.519   3.583   1.912
  428   1HB   GLU  58           HB2      GLU  58 -10.231   1.645   1.619
  429   2HB   GLU  58           HB1      GLU  58  -9.135   0.731   2.656
  430   1HG   GLU  58           HG2      GLU  58  -9.412   2.233   4.467
  431   2HG   GLU  58           HG1      GLU  58 -10.103   3.483   3.432
  432    H    ALA  59           HN       ALA  59  -7.040   0.286   2.199
  433    HA   ALA  59           HA       ALA  59  -5.643   0.503   4.549
  434   1HB   ALA  59           HB1      ALA  59  -5.666  -1.350   2.660
  435   2HB   ALA  59           HB3      ALA  59  -4.124  -0.606   2.235
  436   3HB   ALA  59           HB2      ALA  59  -4.361  -1.282   3.846
  437    H    VAL  60           HN       VAL  60  -4.587   1.973   1.501
  438    HA   VAL  60           HA       VAL  60  -1.973   2.773   2.196
  439    HB   VAL  60           HB       VAL  60  -3.949   4.388   0.556
  440   1HG1  VAL  60          HG11      VAL  60  -1.829   5.534   1.128
  441   2HG1  VAL  60          HG13      VAL  60  -0.923   4.173   0.468
  442   3HG1  VAL  60          HG12      VAL  60  -1.917   5.168  -0.595
  443   1HG2  VAL  60          HG21      VAL  60  -2.483   1.842   0.033
  444   2HG2  VAL  60          HG23      VAL  60  -4.041   2.388  -0.589
  445   3HG2  VAL  60          HG22      VAL  60  -2.545   3.018  -1.280
  446    H    ARG  61           HN       ARG  61  -5.028   4.548   2.591
  447    HA   ARG  61           HA       ARG  61  -4.004   6.851   3.916
  448   1HB   ARG  61           HB2      ARG  61  -6.534   5.880   3.198
  449   2HB   ARG  61           HB1      ARG  61  -6.614   6.039   4.951
  450   1HG   ARG  61           HG2      ARG  61  -7.277   8.162   4.092
  451   2HG   ARG  61           HG1      ARG  61  -5.612   8.377   4.637
  452   1HD   ARG  61           HD2      ARG  61  -4.827   7.977   2.310
  453   2HD   ARG  61           HD1      ARG  61  -6.505   7.855   1.786
  454    HE   ARG  61           HE       ARG  61  -6.076  10.336   3.184
  455   1HH1  ARG  61          HH21      ARG  61  -3.826   9.823   1.055
  456   2HH1  ARG  61          HH22      ARG  61  -4.466  10.743  -0.266
  457   1HH2  ARG  61          HH11      ARG  61  -7.629  11.034   1.123
  458   2HH2  ARG  61          HH12      ARG  61  -6.618  11.428  -0.227
  459    H    ILE  62           HN       ILE  62  -4.683   3.638   5.117
  460    HA   ILE  62           HA       ILE  62  -4.520   4.308   7.960
  461    HB   ILE  62           HB       ILE  62  -4.662   1.761   6.331
  462   1HG1  ILE  62          HG12      ILE  62  -6.701   1.541   7.932
  463   2HG1  ILE  62          HG11      ILE  62  -6.426   3.252   8.263
  464   1HG2  ILE  62          HG23      ILE  62  -3.822   2.049   9.186
  465   2HG2  ILE  62          HG22      ILE  62  -4.941   0.746   8.789
  466   3HG2  ILE  62          HG21      ILE  62  -3.366   0.825   8.001
  467   1HD1  ILE  62          HD11      ILE  62  -6.619   2.208   5.438
  468   2HD1  ILE  62          HD13      ILE  62  -8.057   2.671   6.348
  469   3HD1  ILE  62          HD12      ILE  62  -6.806   3.867   6.007
  470    H    LEU  63           HN       LEU  63  -2.245   3.362   5.463
  471    HA   LEU  63           HA       LEU  63  -0.160   2.661   7.360
  472   1HB   LEU  63           HB2      LEU  63  -0.263   1.715   5.036
  473   2HB   LEU  63           HB1      LEU  63   0.132   3.319   4.416
  474    HG   LEU  63           HG       LEU  63   1.900   2.185   6.538
  475   1HD1  LEU  63          HD13      LEU  63   1.539   1.060   3.799
  476   2HD1  LEU  63          HD12      LEU  63   3.193   1.260   4.376
  477   3HD1  LEU  63          HD11      LEU  63   2.057   0.260   5.283
  478   1HD2  LEU  63          HD22      LEU  63   2.017   4.118   4.270
  479   2HD2  LEU  63          HD21      LEU  63   2.706   4.243   5.887
  480   3HD2  LEU  63          HD23      LEU  63   3.505   3.258   4.662
  481    H    MET  64           HN       MET  64  -0.932   5.527   5.404
  482    HA   MET  64           HA       MET  64   1.428   6.943   6.377
  483   1HB   MET  64           HB2      MET  64   0.239   7.384   4.142
  484   2HB   MET  64           HB1      MET  64  -0.982   8.250   5.080
  485   1HG   MET  64           HG2      MET  64   1.715   9.028   5.874
  486   2HG   MET  64           HG1      MET  64   1.442   9.298   4.155
  487   1HE   MET  64           HE3      MET  64   2.165  11.545   5.734
  488   2HE   MET  64           HE2      MET  64   0.943  12.596   6.447
  489   3HE   MET  64           HE1      MET  64   1.454  11.143   7.303
  490    H    ASP  65           HN       ASP  65  -2.100   7.268   6.954
  491    HA   ASP  65           HA       ASP  65  -1.590   9.137   9.142
  492   1HB   ASP  65           HB2      ASP  65  -4.171   8.106   7.911
  493   2HB   ASP  65           HB1      ASP  65  -4.176   8.889   9.492
  494    H    GLY  66           HN       GLY  66  -2.025   5.707   8.879
  495   1HA   GLY  66           HA2      GLY  66  -1.591   4.134  10.616
  496   2HA   GLY  66           HA1      GLY  66  -1.580   5.458  11.778
  497    H    VAL  67           HN       VAL  67  -3.041   2.843  11.761
  498    HA   VAL  67           HA       VAL  67  -5.849   3.860  11.998
  499    HB   VAL  67           HB       VAL  67  -5.559   2.128  10.249
  500   1HG1  VAL  67          HG13      VAL  67  -3.893   0.915  12.226
  501   2HG1  VAL  67          HG12      VAL  67  -5.242  -0.183  11.943
  502   3HG1  VAL  67          HG11      VAL  67  -4.226   0.328  10.600
  503   1HG2  VAL  67          HG21      VAL  67  -7.611   2.362  11.852
  504   2HG2  VAL  67          HG23      VAL  67  -7.492   0.935  10.822
  505   3HG2  VAL  67          HG22      VAL  67  -7.040   0.834  12.523
  506    H    VAL  68           HN       VAL  68  -7.134   2.848  13.732
  507    HA   VAL  68           HA       VAL  68  -5.431   2.067  16.050
  508    HB   VAL  68           HB       VAL  68  -8.026   3.641  15.986
  509   1HG1  VAL  68          HG11      VAL  68  -6.554   2.450  18.367
  510   2HG1  VAL  68          HG13      VAL  68  -7.839   3.653  18.493
  511   3HG1  VAL  68          HG12      VAL  68  -8.190   2.051  17.843
  512   1HG2  VAL  68          HG23      VAL  68  -5.148   4.182  16.607
  513   2HG2  VAL  68          HG22      VAL  68  -6.319   5.195  15.763
  514   3HG2  VAL  68          HG21      VAL  68  -6.372   5.063  17.521
  515    H    THR  69           HN       THR  69  -6.393   0.556  17.515
  516    HA   THR  69           HA       THR  69  -8.230  -1.360  16.191
  517    HB   THR  69           HB       THR  69  -7.041  -3.126  17.478
  518    HG1  THR  69           HG1      THR  69  -5.335  -2.614  18.690
  519   1HG2  THR  69          HG21      THR  69  -6.352  -2.079  15.122
  520   2HG2  THR  69          HG23      THR  69  -4.894  -1.656  16.019
  521   3HG2  THR  69          HG22      THR  69  -5.390  -3.343  15.887
  522    H    SER  70           HN       SER  70  -9.512  -2.633  17.614
  523    HA   SER  70           HA       SER  70 -10.987  -1.103  19.498
  524   1HB   SER  70           HB2      SER  70 -12.013  -2.894  18.216
  525   2HB   SER  70           HB1      SER  70 -10.919  -4.074  18.933
  526    HG   SER  70           HG       SER  70 -12.634  -4.237  20.223
  527    H    SER  71           HN       SER  71  -8.318  -3.275  19.833
  528    HA   SER  71           HA       SER  71  -8.541  -3.743  22.678
  529   1HB   SER  71           HB2      SER  71  -6.028  -4.324  22.365
  530   2HB   SER  71           HB1      SER  71  -7.220  -5.330  21.552
  531    HG   SER  71           HG       SER  71  -5.531  -4.671  20.150
  532    H    GLY  72           HN       GLY  72  -7.495  -1.044  20.805
  533   1HA   GLY  72           HA2      GLY  72  -7.100   1.126  21.862
  534   2HA   GLY  72           HA1      GLY  72  -6.468   0.266  23.269
  535    H    GLN  73           HN       GLN  73  -5.347  -1.174  20.368
  536    HA   GLN  73           HA       GLN  73  -2.674   0.100  20.774
  537   1HB   GLN  73           HB2      GLN  73  -3.416  -2.389  19.202
  538   2HB   GLN  73           HB1      GLN  73  -1.783  -1.838  19.584
  539   1HG   GLN  73           HG2      GLN  73  -2.824  -1.899  22.077
  540   2HG   GLN  73           HG1      GLN  73  -3.787  -3.172  21.326
  541   1HE2  GLN  73          HE22      GLN  73   0.296  -3.709  21.484
  542   2HE2  GLN  73          HE21      GLN  73  -0.320  -2.131  21.375
  543    H    HIS  74           HN       HIS  74  -1.456   0.763  18.836
  544    HA   HIS  74           HA       HIS  74  -3.233   1.535  16.559
  545   1HB   HIS  74           HB2      HIS  74  -0.848   2.879  17.818
  546   2HB   HIS  74           HB1      HIS  74  -1.396   3.293  16.214
  547    HD1  HIS  74           HD1      HIS  74  -2.285   5.624  16.742
  548    HD2  HIS  74           HD2      HIS  74  -3.940   2.687  19.192
  549    HE1  HIS  74           HE1      HIS  74  -4.160   6.735  18.031
  550    H    GLU  75           HN       GLU  75  -2.205   1.427  14.439
  551    HA   GLU  75           HA       GLU  75   0.337  -0.059  14.274
  552   1HB   GLU  75           HB2      GLU  75  -2.165  -1.005  12.860
  553   2HB   GLU  75           HB1      GLU  75  -0.570  -1.754  12.791
  554   1HG   GLU  75           HG2      GLU  75  -0.794  -1.859  15.398
  555   2HG   GLU  75           HG1      GLU  75  -2.520  -1.678  15.077
  556    H    GLY  76           HN       GLY  76   0.569  -0.523  11.696
  557   1HA   GLY  76           HA2      GLY  76   1.106   0.478   9.649
  558   2HA   GLY  76           HA1      GLY  76  -0.331   1.482   9.874
  559    H    ARG  77           HN       ARG  77   0.613   3.424   9.254
  560    HA   ARG  77           HA       ARG  77   1.839   5.418   9.499
  561   1HB   ARG  77           HB2      ARG  77   0.741   5.181  11.782
  562   2HB   ARG  77           HB1      ARG  77   2.272   4.518  12.352
  563   1HG   ARG  77           HG2      ARG  77   2.778   6.703  12.775
  564   2HG   ARG  77           HG1      ARG  77   3.148   6.750  11.051
  565   1HD   ARG  77           HD2      ARG  77   0.588   7.255  10.787
  566   2HD   ARG  77           HD1      ARG  77   0.696   7.733  12.481
  567    HE   ARG  77           HE       ARG  77   2.163   9.041  10.240
  568   1HH1  ARG  77          HH11      ARG  77   3.922   9.765  12.181
  569   2HH1  ARG  77          HH12      ARG  77   3.165  10.986  13.149
  570   1HH2  ARG  77          HH21      ARG  77  -0.042  10.231  12.063
  571   2HH2  ARG  77          HH22      ARG  77   0.918  11.250  13.084
  572    H    LEU  78           HN       LEU  78   3.259   2.676   8.976
  573    HA   LEU  78           HA       LEU  78   5.829   2.744  10.230
  574   1HB   LEU  78           HB2      LEU  78   4.645   1.295   7.890
  575   2HB   LEU  78           HB1      LEU  78   6.403   1.346   8.023
  576    HG   LEU  78           HG       LEU  78   6.209   0.503  10.364
  577   1HD1  LEU  78          HD11      LEU  78   3.315   0.705   9.649
  578   2HD1  LEU  78          HD13      LEU  78   3.816  -0.656  10.654
  579   3HD1  LEU  78          HD12      LEU  78   4.112   0.997  11.195
  580   1HD2  LEU  78          HD23      LEU  78   6.213  -0.906   8.063
  581   2HD2  LEU  78          HD22      LEU  78   6.183  -1.683   9.646
  582   3HD2  LEU  78          HD21      LEU  78   4.687  -1.475   8.737
  583    H    LEU  79           HN       LEU  79   4.485   4.578   7.581
  584    HA   LEU  79           HA       LEU  79   6.875   5.279   6.183
  585   1HB   LEU  79           HB2      LEU  79   4.599   5.771   5.336
  586   2HB   LEU  79           HB1      LEU  79   4.344   6.899   6.666
  587    HG   LEU  79           HG       LEU  79   6.819   7.462   5.201
  588   1HD1  LEU  79          HD13      LEU  79   5.296   6.512   3.381
  589   2HD1  LEU  79          HD12      LEU  79   4.234   7.886   3.688
  590   3HD1  LEU  79          HD11      LEU  79   5.880   8.154   3.116
  591   1HD2  LEU  79          HD23      LEU  79   5.123   8.834   6.823
  592   2HD2  LEU  79          HD22      LEU  79   6.230   9.622   5.700
  593   3HD2  LEU  79          HD21      LEU  79   4.544   9.373   5.248
  594    H    GLN  80           HN       GLN  80   8.536   5.669   7.707
  595    HA   GLN  80           HA       GLN  80   8.322   8.256   9.159
  596   1HB   GLN  80           HB2      GLN  80   9.255   5.646  10.385
  597   2HB   GLN  80           HB1      GLN  80   9.365   7.226  11.162
  598   1HG   GLN  80           HG2      GLN  80   6.769   7.304  10.564
  599   2HG   GLN  80           HG1      GLN  80   6.952   5.549  10.612
  600   1HE2  GLN  80          HE22      GLN  80   7.104   5.432  14.127
  601   2HE2  GLN  80          HE21      GLN  80   6.973   4.580  12.664
  602    H    ASP  81           HN       ASP  81  10.564   8.713  10.175
  603    HA   ASP  81           HA       ASP  81  12.456   9.031   8.083
  604   1HB   ASP  81           HB2      ASP  81  12.881   9.259  11.085
  605   2HB   ASP  81           HB1      ASP  81  13.923   9.938   9.830
  606    H    LEU  82           HN       LEU  82  13.724   7.576   7.265
  607    HA   LEU  82           HA       LEU  82  14.834   5.325   8.883
  608   1HB   LEU  82           HB2      LEU  82  14.021   5.562   5.988
  609   2HB   LEU  82           HB1      LEU  82  15.234   4.383   6.452
  610    HG   LEU  82           HG       LEU  82  12.486   4.571   7.717
  611   1HD1  LEU  82          HD11      LEU  82  13.511   3.126   5.306
  612   2HD1  LEU  82          HD13      LEU  82  12.388   2.266   6.358
  613   3HD1  LEU  82          HD12      LEU  82  11.907   3.790   5.614
  614   1HD2  LEU  82          HD22      LEU  82  14.814   2.651   7.908
  615   2HD2  LEU  82          HD21      LEU  82  13.972   3.479   9.218
  616   3HD2  LEU  82          HD23      LEU  82  13.179   2.162   8.352
  617    HA   PRO  83           HA       PRO  83  18.818   7.053   8.109
  618   1HB   PRO  83           HB2      PRO  83  20.382   4.903   7.369
  619   2HB   PRO  83           HB1      PRO  83  19.892   5.254   9.036
  620   1HG   PRO  83           HG2      PRO  83  18.809   3.200   7.146
  621   2HG   PRO  83           HG1      PRO  83  18.934   3.142   8.913
  622   1HD   PRO  83           HD2      PRO  83  16.584   3.666   7.523
  623   2HD   PRO  83           HD1      PRO  83  16.872   4.137   9.208
  624    H    GLY  84           HN       GLY  84  18.539   8.390   6.365
  625   1HA   GLY  84           HA2      GLY  84  19.316   9.134   4.239
  626   2HA   GLY  84           HA1      GLY  84  19.578   7.458   3.762
  627    H    CYS  85           HN       CYS  85  16.469   7.821   5.178
  628    HA   CYS  85           HA       CYS  85  15.172   8.480   2.578
  629   1HB   CYS  85           HB2      CYS  85  14.151   6.128   4.148
  630   2HB   CYS  85           HB1      CYS  85  13.888   6.519   2.456
  631    HA   PRO  86           HA       PRO  86  13.056  10.537   6.153
  632   1HB   PRO  86           HB2      PRO  86  12.316  12.789   4.735
  633   2HB   PRO  86           HB1      PRO  86  13.854  12.623   5.573
  634   1HG   PRO  86           HG2      PRO  86  13.284  12.469   2.659
  635   2HG   PRO  86           HG1      PRO  86  14.773  12.954   3.487
  636   1HD   PRO  86           HD2      PRO  86  14.340  10.476   2.259
  637   2HD   PRO  86           HD1      PRO  86  15.620  10.817   3.440
  638    H    ARG  87           HN       ARG  87  10.757  11.308   6.386
  639    HA   ARG  87           HA       ARG  87   8.801   9.602   5.366
  640   1HB   ARG  87           HB2      ARG  87   8.534  12.512   6.183
  641   2HB   ARG  87           HB1      ARG  87   7.193  11.384   6.014
  642   1HG   ARG  87           HG2      ARG  87   8.280   9.917   7.686
  643   2HG   ARG  87           HG1      ARG  87   9.521  11.146   7.906
  644   1HD   ARG  87           HD2      ARG  87   7.667  11.234   9.621
  645   2HD   ARG  87           HD1      ARG  87   7.912  12.734   8.732
  646    HE   ARG  87           HE       ARG  87   5.908  11.028   7.491
  647   1HH1  ARG  87          HH11      ARG  87   5.605  13.936   7.405
  648   2HH1  ARG  87          HH12      ARG  87   4.404  14.252   8.612
  649   1HH2  ARG  87          HH21      ARG  87   4.761  11.174  10.159
  650   2HH2  ARG  87          HH22      ARG  87   3.927  12.691  10.168
  651    H    GLN  88           HN       GLN  88  10.221  12.481   4.017
  652    HA   GLN  88           HA       GLN  88   8.240  13.221   2.114
  653   1HB   GLN  88           HB2      GLN  88  10.800  14.087   2.826
  654   2HB   GLN  88           HB1      GLN  88  10.944  13.667   1.120
  655   1HG   GLN  88           HG2      GLN  88  10.246  15.963   1.201
  656   2HG   GLN  88           HG1      GLN  88   8.829  15.025   0.726
  657   1HE2  GLN  88          HE22      GLN  88   8.633  17.253   4.042
  658   2HE2  GLN  88          HE21      GLN  88   9.863  17.406   2.881
  659    H    VAL  89           HN       VAL  89  11.032  11.005   1.635
  660    HA   VAL  89           HA       VAL  89  10.508  10.539  -1.142
  661    HB   VAL  89           HB       VAL  89  12.026   8.887   0.890
  662   1HG1  VAL  89          HG11      VAL  89  11.456   7.680  -1.231
  663   2HG1  VAL  89          HG13      VAL  89  12.247   8.973  -2.132
  664   3HG1  VAL  89          HG12      VAL  89  13.189   7.955  -1.042
  665   1HG2  VAL  89          HG22      VAL  89  12.709  11.256   0.668
  666   2HG2  VAL  89          HG21      VAL  89  13.948  10.121   0.134
  667   3HG2  VAL  89          HG23      VAL  89  12.969  10.980  -1.054
  668    H    GLN  90           HN       GLN  90   9.670   8.737   1.806
  669    HA   GLN  90           HA       GLN  90   8.386   6.553   0.422
  670   1HB   GLN  90           HB2      GLN  90   8.316   7.584   3.253
  671   2HB   GLN  90           HB1      GLN  90   7.224   6.296   2.742
  672   1HG   GLN  90           HG2      GLN  90   8.989   4.815   2.257
  673   2HG   GLN  90           HG1      GLN  90  10.174   6.119   2.164
  674   1HE2  GLN  90          HE22      GLN  90  10.924   6.011   5.605
  675   2HE2  GLN  90          HE21      GLN  90  11.284   6.666   4.080
  676    H    ARG  91           HN       ARG  91   7.382   9.752   1.395
  677    HA   ARG  91           HA       ARG  91   4.526   9.247   1.032
  678   1HB   ARG  91           HB2      ARG  91   5.543  11.042   2.549
  679   2HB   ARG  91           HB1      ARG  91   5.852  11.962   1.076
  680   1HG   ARG  91           HG2      ARG  91   3.703  12.644   2.037
  681   2HG   ARG  91           HG1      ARG  91   3.431  11.811   0.507
  682   1HD   ARG  91           HD2      ARG  91   2.635   9.871   1.554
  683   2HD   ARG  91           HD1      ARG  91   3.407  10.264   3.089
  684    HE   ARG  91           HE       ARG  91   1.675  12.137   3.259
  685   1HH1  ARG  91          HH11      ARG  91   1.057   8.945   2.237
  686   2HH1  ARG  91          HH12      ARG  91  -0.616   9.221   1.897
  687   1HH2  ARG  91          HH21      ARG  91  -0.458  12.636   2.455
  688   2HH2  ARG  91          HH22      ARG  91  -1.471  11.299   2.021
  689    H    ALA  92           HN       ALA  92   7.196  10.272  -0.990
  690    HA   ALA  92           HA       ALA  92   5.529  11.364  -3.118
  691   1HB   ALA  92           HB1      ALA  92   8.426  10.783  -2.713
  692   2HB   ALA  92           HB3      ALA  92   7.847  10.885  -4.375
  693   3HB   ALA  92           HB2      ALA  92   7.644  12.257  -3.286
  694    H    PHE  93           HN       PHE  93   7.365   8.325  -2.690
  695    HA   PHE  93           HA       PHE  93   6.371   7.154  -5.169
  696   1HB   PHE  93           HB2      PHE  93   8.582   6.565  -4.299
  697   2HB   PHE  93           HB1      PHE  93   7.856   5.954  -2.817
  698    HD1  PHE  93           HD1      PHE  93   6.490   3.877  -2.839
  699    HD2  PHE  93           HD2      PHE  93   8.538   5.280  -6.344
  700    HE1  PHE  93           HE1      PHE  93   6.193   1.658  -3.901
  701    HE2  PHE  93           HE2      PHE  93   8.242   3.061  -7.406
  702    HZ   PHE  93           HZ       PHE  93   7.071   1.248  -6.184
  703    H    ALA  94           HN       ALA  94   5.386   7.101  -1.811
  704    HA   ALA  94           HA       ALA  94   3.914   4.742  -1.633
  705   1HB   ALA  94           HB3      ALA  94   3.777   7.391  -0.306
  706   2HB   ALA  94           HB2      ALA  94   2.366   6.350  -0.123
  707   3HB   ALA  94           HB1      ALA  94   3.952   5.783   0.396
  708    HA   PRO  95           HA       PRO  95  -0.069   6.905  -3.218
  709   1HB   PRO  95           HB2      PRO  95   0.203   9.258  -4.626
  710   2HB   PRO  95           HB1      PRO  95  -0.111   9.164  -2.885
  711   1HG   PRO  95           HG2      PRO  95   2.434   9.807  -4.306
  712   2HG   PRO  95           HG1      PRO  95   1.874  10.334  -2.710
  713   1HD   PRO  95           HD2      PRO  95   3.762   8.315  -3.171
  714   2HD   PRO  95           HD1      PRO  95   2.870   8.550  -1.655
  715    H    LYS  96           HN       LYS  96   0.409   5.038  -4.512
  716    HA   LYS  96           HA       LYS  96  -0.265   5.098  -7.183
  717   1HB   LYS  96           HB2      LYS  96   2.485   5.982  -6.856
  718   2HB   LYS  96           HB1      LYS  96   2.442   4.496  -7.795
  719   1HG   LYS  96           HG2      LYS  96   1.709   5.611  -9.603
  720   2HG   LYS  96           HG1      LYS  96   0.315   6.204  -8.706
  721   1HD   LYS  96           HD2      LYS  96   2.576   7.699  -7.812
  722   2HD   LYS  96           HD1      LYS  96   2.644   7.658  -9.572
  723   1HE   LYS  96           HE2      LYS  96  -0.015   8.142  -9.177
  724   2HE   LYS  96           HE1      LYS  96   0.686   8.977  -7.791
  725   1HZ   LYS  96           HZ1      LYS  96   1.599   9.335 -10.592
  726   2HZ   LYS  96           HZ3      LYS  96   0.506  10.368  -9.806
  727   3HZ   LYS  96           HZ2      LYS  96   2.098  10.224  -9.232
  728    H    LEU  97           HN       LEU  97  -0.952   3.370  -5.326
  729    HA   LEU  97           HA       LEU  97   0.813   1.031  -5.325
  730   1HB   LEU  97           HB2      LEU  97  -0.460   0.128  -3.589
  731   2HB   LEU  97           HB1      LEU  97  -0.470   1.857  -3.292
  732    HG   LEU  97           HG       LEU  97  -2.727   0.414  -4.704
  733   1HD1  LEU  97          HD12      LEU  97  -2.147   0.853  -1.805
  734   2HD1  LEU  97          HD11      LEU  97  -3.819   0.875  -2.369
  735   3HD1  LEU  97          HD13      LEU  97  -2.825  -0.564  -2.606
  736   1HD2  LEU  97          HD23      LEU  97  -2.362   3.158  -3.475
  737   2HD2  LEU  97          HD22      LEU  97  -2.809   2.782  -5.137
  738   3HD2  LEU  97          HD21      LEU  97  -3.953   2.492  -3.831
  739    H    VAL  98           HN       VAL  98  -2.690   1.342  -6.421
  740    HA   VAL  98           HA       VAL  98  -2.330  -1.218  -7.820
  741    HB   VAL  98           HB       VAL  98  -4.703  -1.149  -8.182
  742   1HG1  VAL  98          HG13      VAL  98  -3.552  -1.460  -5.812
  743   2HG1  VAL  98          HG12      VAL  98  -4.504  -0.023  -5.433
  744   3HG1  VAL  98          HG11      VAL  98  -5.305  -1.491  -5.991
  745   1HG2  VAL  98          HG22      VAL  98  -4.351   1.742  -7.493
  746   2HG2  VAL  98          HG21      VAL  98  -5.417   1.002  -8.686
  747   3HG2  VAL  98          HG23      VAL  98  -5.848   0.967  -6.977
  748    H    THR  99           HN       THR  99  -1.018   1.349  -8.750
  749    HA   THR  99           HA       THR  99  -2.381   1.775 -11.331
  750    HB   THR  99           HB       THR  99  -0.817   3.565 -11.738
  751    HG1  THR  99           HG1      THR  99   1.126   3.336 -11.009
  752   1HG2  THR  99          HG23      THR  99  -2.636   3.874 -10.015
  753   2HG2  THR  99          HG22      THR  99  -1.402   3.614  -8.782
  754   3HG2  THR  99          HG21      THR  99  -1.274   4.987  -9.881
  755    H    GLU 100           HN       GLU 100  -0.828   1.739 -13.377
  756    HA   GLU 100           HA       GLU 100   0.158  -0.921 -13.652
  757   1HB   GLU 100           HB2      GLU 100  -0.582   0.742 -15.466
  758   2HB   GLU 100           HB1      GLU 100   1.052   1.400 -15.361
  759   1HG   GLU 100           HG2      GLU 100   2.029  -0.712 -15.967
  760   2HG   GLU 100           HG1      GLU 100   0.477  -1.538 -15.819
  761    H    VAL 101           HN       VAL 101   1.728   1.556 -11.838
  762    HA   VAL 101           HA       VAL 101   4.424   0.605 -12.645
  763    HB   VAL 101           HB       VAL 101   3.688   2.844 -10.741
  764   1HG1  VAL 101          HG11      VAL 101   6.217   1.789 -11.956
  765   2HG1  VAL 101          HG13      VAL 101   6.083   3.519 -11.644
  766   3HG1  VAL 101          HG12      VAL 101   5.922   2.369 -10.317
  767   1HG2  VAL 101          HG21      VAL 101   3.912   2.707 -13.723
  768   2HG2  VAL 101          HG23      VAL 101   2.848   3.697 -12.724
  769   3HG2  VAL 101          HG22      VAL 101   4.544   4.141 -12.914
  770    H    GLU 102           HN       GLU 102   2.130  -0.432 -10.475
  771    HA   GLU 102           HA       GLU 102   4.251  -1.386  -8.607
  772   1HB   GLU 102           HB2      GLU 102   1.862   0.227  -7.984
  773   2HB   GLU 102           HB1      GLU 102   2.066  -1.191  -6.955
  774   1HG   GLU 102           HG2      GLU 102   3.236   0.695  -5.951
  775   2HG   GLU 102           HG1      GLU 102   4.421  -0.483  -6.515
  776    H    CYS 103           HN       CYS 103   0.787  -2.047  -8.210
  777    HA   CYS 103           HA       CYS 103   1.124  -4.790  -9.347
  778   1HB   CYS 103           HB2      CYS 103   0.458  -4.060  -6.487
  779   2HB   CYS 103           HB1      CYS 103  -0.031  -5.607  -7.176
  780    H    ASN 104           HN       ASN 104  -0.403  -2.483 -10.317
  781    HA   ASN 104           HA       ASN 104  -2.967  -2.027  -9.715
  782   1HB   ASN 104           HB2      ASN 104  -3.505  -2.080 -12.226
  783   2HB   ASN 104           HB1      ASN 104  -2.207  -1.024 -11.689
  784   1HD2  ASN 104          HD22      ASN 104  -1.368  -3.737 -14.468
  785   2HD2  ASN 104          HD21      ASN 104  -2.932  -3.194 -14.090
  786    H    LEU 105           HN       LEU 105  -2.362  -4.884 -11.842
  787    HA   LEU 105           HA       LEU 105  -3.755  -6.762 -12.193
  788   1HB   LEU 105           HB2      LEU 105  -4.068  -6.263  -9.220
  789   2HB   LEU 105           HB1      LEU 105  -4.709  -7.694 -10.026
  790    HG   LEU 105           HG       LEU 105  -1.882  -7.104 -10.654
  791   1HD1  LEU 105          HD13      LEU 105  -2.795  -7.149  -7.878
  792   2HD1  LEU 105          HD12      LEU 105  -1.668  -8.463  -8.209
  793   3HD1  LEU 105          HD11      LEU 105  -1.192  -6.796  -8.521
  794   1HD2  LEU 105          HD23      LEU 105  -3.458  -9.189 -11.110
  795   2HD2  LEU 105          HD22      LEU 105  -1.745  -9.426 -10.763
  796   3HD2  LEU 105          HD21      LEU 105  -2.944  -9.659  -9.491
  797    H    ALA 106           HN       ALA 106  -5.085  -3.904 -12.271
  798    HA   ALA 106           HA       ALA 106  -7.200  -3.038 -12.698
  799   1HB   ALA 106           HB3      ALA 106  -7.448  -5.941 -13.209
  800   2HB   ALA 106           HB2      ALA 106  -8.971  -5.129 -12.849
  801   3HB   ALA 106           HB1      ALA 106  -7.973  -4.574 -14.193
  802    H    THR 107           HN       THR 107  -8.405  -2.043 -11.189
  803    HA   THR 107           HA       THR 107  -8.812  -3.304  -8.544
  804    HB   THR 107           HB       THR 107  -9.237  -1.123  -7.723
  805    HG1  THR 107           HG1      THR 107 -10.619   0.026  -8.776
  806   1HG2  THR 107          HG21      THR 107  -7.031  -1.438  -9.324
  807   2HG2  THR 107          HG23      THR 107  -7.763   0.028  -9.976
  808   3HG2  THR 107          HG22      THR 107  -7.333  -0.057  -8.268
  809    H    ILE 108           HN       ILE 108 -11.300  -2.001  -7.894
  810    HA   ILE 108           HA       ILE 108 -13.212  -3.871  -8.979
  811    HB   ILE 108           HB       ILE 108 -13.455  -2.819  -6.734
  812   1HG1  ILE 108          HG12      ILE 108 -15.814  -1.835  -8.292
  813   2HG1  ILE 108          HG11      ILE 108 -15.419  -3.553  -8.374
  814   1HG2  ILE 108          HG21      ILE 108 -12.616  -0.563  -7.368
  815   2HG2  ILE 108          HG23      ILE 108 -14.086  -0.298  -8.306
  816   3HG2  ILE 108          HG22      ILE 108 -14.179  -0.479  -6.553
  817   1HD1  ILE 108          HD12      ILE 108 -15.474  -2.229  -5.689
  818   2HD1  ILE 108          HD11      ILE 108 -17.008  -2.630  -6.464
  819   3HD1  ILE 108          HD13      ILE 108 -15.835  -3.901  -6.120
  820    H    HIS 109           HN       HIS 109 -12.192  -0.632  -9.777
  821    HA   HIS 109           HA       HIS 109 -14.305   0.124 -11.562
  822   1HB   HIS 109           HB2      HIS 109 -11.431   1.030 -11.286
  823   2HB   HIS 109           HB1      HIS 109 -12.619   1.815 -12.324
  824    HD1  HIS 109           HD1      HIS 109 -14.696   2.928 -11.108
  825    HD2  HIS 109           HD2      HIS 109 -11.656   1.646  -8.567
  826    HE1  HIS 109           HE1      HIS 109 -15.103   4.040  -8.876
  827    H    GLY 110           HN       GLY 110 -12.082  -2.385 -12.013
  828   1HA   GLY 110           HA2      GLY 110 -11.373  -3.562 -13.901
  829   2HA   GLY 110           HA1      GLY 110 -12.725  -2.803 -14.743
  830    H    GLY 111           HN       GLY 111 -10.244  -0.871 -13.208
  831   1HA   GLY 111           HA2      GLY 111  -8.713  -0.462 -15.677
  832   2HA   GLY 111           HA1      GLY 111  -9.687   0.920 -15.178
  833    HA   PRO 112           HA       PRO 112  -5.611   0.746 -12.772
  834   1HB   PRO 112           HB2      PRO 112  -4.183   2.603 -14.236
  835   2HB   PRO 112           HB1      PRO 112  -4.094   0.855 -14.502
  836   1HG   PRO 112           HG2      PRO 112  -5.418   2.955 -16.135
  837   2HG   PRO 112           HG1      PRO 112  -4.851   1.350 -16.624
  838   1HD   PRO 112           HD2      PRO 112  -7.543   2.101 -16.102
  839   2HD   PRO 112           HD1      PRO 112  -6.932   0.451 -16.349
  840    H    PHE 113           HN       PHE 113  -7.398   1.888 -11.439
  841    HA   PHE 113           HA       PHE 113  -6.469   4.347 -10.429
  842   1HB   PHE 113           HB2      PHE 113  -8.239   5.934 -11.226
  843   2HB   PHE 113           HB1      PHE 113  -7.124   5.440 -12.491
  844    HD1  PHE 113           HD1      PHE 113 -10.481   4.647 -11.015
  845    HD2  PHE 113           HD2      PHE 113  -7.924   4.429 -14.462
  846    HE1  PHE 113           HE1      PHE 113 -12.386   3.841 -12.384
  847    HE2  PHE 113           HE2      PHE 113  -9.827   3.622 -15.827
  848    HZ   PHE 113           HZ       PHE 113 -12.064   3.330 -14.794
  849    H    CYS 114           HN       CYS 114  -7.735   5.095  -8.602
  850    HA   CYS 114           HA       CYS 114 -10.303   3.686  -8.141
  851   1HB   CYS 114           HB2      CYS 114  -9.735   2.971  -5.932
  852   2HB   CYS 114           HB1      CYS 114  -8.411   2.460  -6.969
  853    H    LEU 115           HN       LEU 115 -11.886   5.166  -7.382
  854    HA   LEU 115           HA       LEU 115 -12.813   7.209  -6.724
  855   1HB   LEU 115           HB2      LEU 115 -10.649   6.564  -4.830
  856   2HB   LEU 115           HB1      LEU 115 -11.074   8.273  -4.866
  857    HG   LEU 115           HG       LEU 115 -12.419   7.051  -3.193
  858   1HD1  LEU 115          HD12      LEU 115 -13.308   8.938  -4.856
  859   2HD1  LEU 115          HD11      LEU 115 -14.383   7.635  -5.363
  860   3HD1  LEU 115          HD13      LEU 115 -14.374   8.167  -3.682
  861   1HD2  LEU 115          HD22      LEU 115 -12.374   4.871  -4.521
  862   2HD2  LEU 115          HD21      LEU 115 -13.929   5.291  -3.801
  863   3HD2  LEU 115          HD23      LEU 115 -13.651   5.559  -5.523
  864    H    SER 116           HN       SER 116 -12.121   9.661  -6.310
  865    HA   SER 116           HA       SER 116 -11.303  11.639  -7.266
  866   1HB   SER 116           HB2      SER 116  -9.170  10.532  -6.352
  867   2HB   SER 116           HB1      SER 116  -8.848  10.042  -8.012
  868    HG   SER 116           HG       SER 116  -8.558  12.460  -6.827
  869    H    LEU 117           HN       LEU 117 -12.575   9.377  -9.043
  870    HA   LEU 117           HA       LEU 117 -11.398   9.545 -11.639
  871   1HB   LEU 117           HB2      LEU 117 -14.009   8.653 -10.529
  872   2HB   LEU 117           HB1      LEU 117 -13.994   9.074 -12.240
  873    HG   LEU 117           HG       LEU 117 -11.887   7.595 -12.398
  874   1HD1  LEU 117          HD12      LEU 117 -12.824   7.113  -9.613
  875   2HD1  LEU 117          HD11      LEU 117 -12.307   5.699 -10.532
  876   3HD1  LEU 117          HD13      LEU 117 -11.193   7.042 -10.279
  877   1HD2  LEU 117          HD23      LEU 117 -14.249   7.059 -13.199
  878   2HD2  LEU 117          HD22      LEU 117 -13.243   5.658 -12.833
  879   3HD2  LEU 117          HD21      LEU 117 -14.472   6.184 -11.684
  880    H    LEU 118           HN       LEU 118 -14.711  10.762 -11.590
  881    HA   LEU 118           HA       LEU 118 -14.130  12.914 -13.334
  882   1HB   LEU 118           HB2      LEU 118 -16.492  12.182 -11.635
  883   2HB   LEU 118           HB1      LEU 118 -16.444  13.742 -12.440
  884    HG   LEU 118           HG       LEU 118 -17.580  12.012 -13.815
  885   1HD1  LEU 118          HD11      LEU 118 -16.038  13.907 -14.751
  886   2HD1  LEU 118          HD13      LEU 118 -14.957  12.579 -15.170
  887   3HD1  LEU 118          HD12      LEU 118 -16.588  12.633 -15.838
  888   1HD2  LEU 118          HD22      LEU 118 -16.191  10.103 -12.918
  889   2HD2  LEU 118          HD21      LEU 118 -16.368  10.103 -14.672
  890   3HD2  LEU 118          HD23      LEU 118 -14.866  10.665 -13.939
  891    H    GLY 119           HN       GLY 119 -13.609  12.885  -9.903
  892   1HA   GLY 119           HA2      GLY 119 -12.962  14.570  -8.419
  893   2HA   GLY 119           HA1      GLY 119 -12.492  15.491  -9.849
  894    H    ALA 120           HN       ALA 120 -14.852  15.126  -7.373
  895    HA   ALA 120           HA       ALA 120 -16.878  16.807  -8.694
  896   1HB   ALA 120           HB1      ALA 120 -16.723  15.592  -5.922
  897   2HB   ALA 120           HB3      ALA 120 -18.091  16.533  -6.515
  898   3HB   ALA 120           HB2      ALA 120 -17.674  15.001  -7.283
  899    H    GLY 121           HN       GLY 121 -15.096  18.509  -8.898
  900   1HA   GLY 121           HA2      GLY 121 -14.515  20.049  -6.450
  901   2HA   GLY 121           HA1      GLY 121 -13.880  20.386  -8.059
  902    H    GLU 122           HN       GLU 122 -17.172  19.874  -8.414
  903    HA   GLU 122           HA       GLU 122 -17.771  22.789  -8.117
  904   1HB   GLU 122           HB2      GLU 122 -17.591  21.832 -10.499
  905   2HB   GLU 122           HB1      GLU 122 -19.075  20.952 -10.132
  906   1HG   GLU 122           HG2      GLU 122 -18.927  23.910  -9.615
  907   2HG   GLU 122           HG1      GLU 122 -19.238  23.319 -11.248
   
  No H/Q in entry =         907
  Start of MODEL           3
 Raw file had  930 H/Q atoms
  Start of MODEL    3
    1   1H    SER   1           HT2      SER   1 -25.764 -11.433   9.560
    2   2H    SER   1           HT1      SER   1 -25.969  -9.813   9.083
    3   3H    SER   1           HT3      SER   1 -27.295 -10.875   9.069
    4    HA   SER   1           HA       SER   1 -26.361 -12.148   7.293
    5   1HB   SER   1           HB2      SER   1 -26.178  -9.170   6.757
    6   2HB   SER   1           HB1      SER   1 -26.351 -10.422   5.530
    7    HG   SER   1           HG       SER   1 -28.404 -10.025   5.887
    8    H    VAL   2           HN       VAL   2 -24.626 -12.163   5.576
    9    HA   VAL   2           HA       VAL   2 -22.061 -12.486   6.692
   10    HB   VAL   2           HB       VAL   2 -21.254 -12.303   4.237
   11   1HG1  VAL   2          HG12      VAL   2 -22.693 -14.314   5.701
   12   2HG1  VAL   2          HG11      VAL   2 -23.134 -14.431   3.999
   13   3HG1  VAL   2          HG13      VAL   2 -21.441 -14.526   4.480
   14   1HG2  VAL   2          HG23      VAL   2 -23.957 -11.336   3.943
   15   2HG2  VAL   2          HG22      VAL   2 -22.717 -11.516   2.710
   16   3HG2  VAL   2          HG21      VAL   2 -23.801 -12.857   3.070
   17    H    GLY   3           HN       GLY   3 -23.003  -9.771   4.504
   18   1HA   GLY   3           HA2      GLY   3 -22.453  -7.461   4.898
   19   2HA   GLY   3           HA1      GLY   3 -21.249  -7.975   6.079
   20    H    THR   4           HN       THR   4 -21.485  -6.570   3.163
   21    HA   THR   4           HA       THR   4 -19.156  -7.946   1.921
   22    HB   THR   4           HB       THR   4 -21.060  -7.543   0.445
   23    HG1  THR   4           HG1      THR   4 -19.918  -6.612  -1.149
   24   1HG2  THR   4          HG23      THR   4 -21.181  -5.056   1.895
   25   2HG2  THR   4          HG22      THR   4 -21.053  -4.721   0.169
   26   3HG2  THR   4          HG21      THR   4 -22.359  -5.740   0.774
   27    H    SER   5           HN       SER   5 -19.085  -6.088   4.335
   28    HA   SER   5           HA       SER   5 -17.544  -3.775   3.296
   29   1HB   SER   5           HB2      SER   5 -18.142  -4.452   6.183
   30   2HB   SER   5           HB1      SER   5 -17.675  -2.889   5.518
   31    HG   SER   5           HG       SER   5 -20.032  -3.435   5.960
   32    H    CYS   6           HN       CYS   6 -15.494  -3.286   4.710
   33    HA   CYS   6           HA       CYS   6 -13.848  -5.773   4.754
   34   1HB   CYS   6           HB2      CYS   6 -13.151  -2.850   4.418
   35   2HB   CYS   6           HB1      CYS   6 -11.924  -4.073   4.747
   36    H    ILE   7           HN       ILE   7 -14.099  -6.577   6.806
   37    HA   ILE   7           HA       ILE   7 -13.916  -4.796   9.160
   38    HB   ILE   7           HB       ILE   7 -14.275  -6.940  10.437
   39   1HG1  ILE   7          HG12      ILE   7 -14.829  -8.181   7.737
   40   2HG1  ILE   7          HG11      ILE   7 -13.247  -8.319   8.506
   41   1HG2  ILE   7          HG21      ILE   7 -16.085  -5.367   9.270
   42   2HG2  ILE   7          HG23      ILE   7 -16.405  -6.833   8.341
   43   3HG2  ILE   7          HG22      ILE   7 -16.559  -6.851  10.099
   44   1HD1  ILE   7          HD13      ILE   7 -15.614  -8.946  10.195
   45   2HD1  ILE   7          HD12      ILE   7 -15.212 -10.107   8.929
   46   3HD1  ILE   7          HD11      ILE   7 -14.021  -9.703  10.165
   47    HA   PRO   8           HA       PRO   8  -9.634  -5.615   9.814
   48   1HB   PRO   8           HB2      PRO   8  -9.467  -5.290  12.541
   49   2HB   PRO   8           HB1      PRO   8  -9.638  -3.944  11.401
   50   1HG   PRO   8           HG2      PRO   8 -11.674  -5.126  13.229
   51   2HG   PRO   8           HG1      PRO   8 -11.577  -3.485  12.570
   52   1HD   PRO   8           HD2      PRO   8 -13.279  -5.553  11.645
   53   2HD   PRO   8           HD1      PRO   8 -12.941  -4.022  10.809
   54    H    GLY   9           HN       GLY   9  -8.182  -7.327  10.546
   55   1HA   GLY   9           HA2      GLY   9  -7.546  -9.355  11.542
   56   2HA   GLY   9           HA1      GLY   9  -9.075  -9.380  12.406
   57    H    MET  10           HN       MET  10 -10.033  -8.924   9.281
   58    HA   MET  10           HA       MET  10  -9.889 -11.798   8.524
   59   1HB   MET  10           HB2      MET  10 -12.412 -10.148   8.795
   60   2HB   MET  10           HB1      MET  10 -12.343 -11.700   7.959
   61   1HG   MET  10           HG2      MET  10 -11.404 -11.340  10.811
   62   2HG   MET  10           HG1      MET  10 -13.056 -11.806  10.404
   63   1HE   MET  10           HE2      MET  10 -13.754 -13.391   9.094
   64   2HE   MET  10           HE1      MET  10 -12.773 -14.414   8.046
   65   3HE   MET  10           HE3      MET  10 -13.354 -15.031   9.599
   66    H    ALA  11           HN       ALA  11  -8.990 -11.675   6.339
   67    HA   ALA  11           HA       ALA  11  -8.986 -11.137   4.051
   68   1HB   ALA  11           HB2      ALA  11 -11.451 -10.278   4.500
   69   2HB   ALA  11           HB1      ALA  11 -10.686  -8.690   4.443
   70   3HB   ALA  11           HB3      ALA  11 -10.584  -9.768   3.052
   71    H    ILE  12           HN       ILE  12  -9.175  -8.209   6.095
   72    HA   ILE  12           HA       ILE  12  -6.600  -7.298   4.921
   73    HB   ILE  12           HB       ILE  12  -8.750  -5.690   6.338
   74   1HG1  ILE  12          HG12      ILE  12  -7.969  -5.722   3.406
   75   2HG1  ILE  12          HG11      ILE  12  -9.374  -6.562   4.062
   76   1HG2  ILE  12          HG23      ILE  12  -6.430  -4.813   6.591
   77   2HG2  ILE  12          HG22      ILE  12  -6.273  -4.790   4.835
   78   3HG2  ILE  12          HG21      ILE  12  -7.449  -3.743   5.630
   79   1HD1  ILE  12          HD12      ILE  12  -9.952  -4.207   5.080
   80   2HD1  ILE  12          HD11      ILE  12  -8.879  -3.609   3.814
   81   3HD1  ILE  12          HD13      ILE  12 -10.317  -4.537   3.386
   82    HA   PRO  13           HA       PRO  13  -5.673  -8.511   9.226
   83   1HB   PRO  13           HB2      PRO  13  -3.025  -9.111   8.850
   84   2HB   PRO  13           HB1      PRO  13  -4.352 -10.239   8.539
   85   1HG   PRO  13           HG2      PRO  13  -2.634  -8.814   6.594
   86   2HG   PRO  13           HG1      PRO  13  -3.623 -10.263   6.358
   87   1HD   PRO  13           HD2      PRO  13  -4.230  -7.580   5.568
   88   2HD   PRO  13           HD1      PRO  13  -5.282  -9.009   5.396
   89    H    HIS  14           HN       HIS  14  -3.902  -7.794  10.797
   90    HA   HIS  14           HA       HIS  14  -3.705  -4.926  10.725
   91   1HB   HIS  14           HB2      HIS  14  -2.483  -6.974  12.615
   92   2HB   HIS  14           HB1      HIS  14  -2.645  -5.257  12.913
   93    HD1  HIS  14           HD1      HIS  14  -4.840  -4.445  13.887
   94    HD2  HIS  14           HD2      HIS  14  -5.096  -8.306  12.342
   95    HE1  HIS  14           HE1      HIS  14  -7.149  -5.309  14.503
   96    H    ASN  15           HN       ASN  15  -1.773  -3.676  10.397
   97    HA   ASN  15           HA       ASN  15   0.354  -3.150   9.615
   98   1HB   ASN  15           HB2      ASN  15   0.726  -5.722  11.071
   99   2HB   ASN  15           HB1      ASN  15   2.024  -5.246   9.976
  100   1HD2  ASN  15          HD22      ASN  15   3.097  -2.536  11.998
  101   2HD2  ASN  15          HD21      ASN  15   3.246  -3.312  10.496
  102    HA   PRO  16           HA       PRO  16  -0.498  -5.733   5.792
  103   1HB   PRO  16           HB2      PRO  16  -1.834  -3.839   4.335
  104   2HB   PRO  16           HB1      PRO  16  -2.648  -4.968   5.432
  105   1HG   PRO  16           HG2      PRO  16  -2.115  -2.060   5.791
  106   2HG   PRO  16           HG1      PRO  16  -3.387  -3.062   6.505
  107   1HD   PRO  16           HD2      PRO  16  -0.997  -2.205   7.793
  108   2HD   PRO  16           HD1      PRO  16  -2.158  -3.411   8.385
  109    H    LEU  17           HN       LEU  17   0.241  -5.251   3.547
  110    HA   LEU  17           HA       LEU  17   1.968  -4.600   2.108
  111   1HB   LEU  17           HB2      LEU  17   1.187  -1.850   3.121
  112   2HB   LEU  17           HB1      LEU  17   1.909  -2.237   1.560
  113    HG   LEU  17           HG       LEU  17  -0.772  -3.295   2.497
  114   1HD1  LEU  17          HD11      LEU  17  -0.332  -0.699   1.912
  115   2HD1  LEU  17          HD13      LEU  17  -0.555  -1.323   0.278
  116   3HD1  LEU  17          HD12      LEU  17  -1.827  -1.528   1.482
  117   1HD2  LEU  17          HD21      LEU  17   0.762  -3.409  -0.111
  118   2HD2  LEU  17          HD23      LEU  17   0.183  -4.761   0.862
  119   3HD2  LEU  17          HD22      LEU  17  -0.966  -3.747  -0.011
  120    H    ASP  18           HN       ASP  18   3.096  -5.449   4.503
  121    HA   ASP  18           HA       ASP  18   4.964  -3.484   5.576
  122   1HB   ASP  18           HB2      ASP  18   6.048  -5.474   6.653
  123   2HB   ASP  18           HB1      ASP  18   4.315  -5.371   6.973
  124    H    SER  19           HN       SER  19   5.113  -6.061   3.191
  125    HA   SER  19           HA       SER  19   7.931  -5.903   2.649
  126   1HB   SER  19           HB2      SER  19   6.084  -7.690   1.960
  127   2HB   SER  19           HB1      SER  19   5.982  -6.692   0.513
  128    HG   SER  19           HG       SER  19   8.369  -7.782   1.608
  129    H    CYS  20           HN       CYS  20   5.165  -4.035   1.623
  130    HA   CYS  20           HA       CYS  20   6.425  -2.819  -0.684
  131   1HB   CYS  20           HB2      CYS  20   4.074  -1.809   0.923
  132   2HB   CYS  20           HB1      CYS  20   4.483  -1.393  -0.743
  133    H    ARG  21           HN       ARG  21   5.916  -1.877   2.706
  134    HA   ARG  21           HA       ARG  21   7.041   0.734   2.480
  135   1HB   ARG  21           HB2      ARG  21   5.842   0.541   4.437
  136   2HB   ARG  21           HB1      ARG  21   6.359  -1.104   4.750
  137   1HG   ARG  21           HG2      ARG  21   8.464   1.009   4.886
  138   2HG   ARG  21           HG1      ARG  21   7.254   1.010   6.170
  139   1HD   ARG  21           HD2      ARG  21   7.814  -1.638   6.069
  140   2HD   ARG  21           HD1      ARG  21   9.372  -0.982   5.567
  141    HE   ARG  21           HE       ARG  21   9.136   0.462   7.725
  142   1HH1  ARG  21          HH11      ARG  21   6.679  -1.710   7.843
  143   2HH1  ARG  21          HH12      ARG  21   7.215  -2.559   9.255
  144   1HH2  ARG  21          HH21      ARG  21  10.334  -1.055   9.307
  145   2HH2  ARG  21          HH22      ARG  21   9.282  -2.192  10.080
  146    H    TRP  22           HN       TRP  22   8.523  -2.444   3.286
  147    HA   TRP  22           HA       TRP  22  11.163  -1.280   3.585
  148   1HB   TRP  22           HB2      TRP  22  10.217  -4.129   3.519
  149   2HB   TRP  22           HB1      TRP  22  11.923  -3.750   3.374
  150    HD1  TRP  22           HD1      TRP  22   9.528  -4.417   5.956
  151    HE1  TRP  22           HE1      TRP  22  10.293  -3.402   8.226
  152    HE3  TRP  22           HE3      TRP  22  13.126  -1.413   4.255
  153    HZ2  TRP  22           HZ2      TRP  22  12.275  -1.467   9.142
  154    HZ3  TRP  22           HZ3      TRP  22  14.482   0.035   5.774
  155    HH2  TRP  22           HH2      TRP  22  14.053   0.001   8.222
  156    H    TYR  23           HN       TYR  23   9.294  -2.486   0.919
  157    HA   TYR  23           HA       TYR  23  11.513  -2.882  -0.889
  158   1HB   TYR  23           HB2      TYR  23   9.287  -3.893  -1.297
  159   2HB   TYR  23           HB1      TYR  23   8.617  -2.281  -1.567
  160    HD1  TYR  23           HD1      TYR  23  11.642  -4.240  -2.638
  161    HD2  TYR  23           HD2      TYR  23   8.407  -1.667  -3.805
  162    HE1  TYR  23           HE1      TYR  23  12.428  -4.314  -4.986
  163    HE2  TYR  23           HE2      TYR  23   9.194  -1.748  -6.155
  164    HH   TYR  23           HH       TYR  23  12.173  -2.689  -7.063
  165    H    VAL  24           HN       VAL  24   9.631  -0.109   0.187
  166    HA   VAL  24           HA       VAL  24  10.637   1.670  -1.911
  167    HB   VAL  24           HB       VAL  24   9.557   2.427   0.815
  168   1HG1  VAL  24          HG11      VAL  24   9.942   3.996  -1.749
  169   2HG1  VAL  24          HG13      VAL  24   9.107   4.608  -0.321
  170   3HG1  VAL  24          HG12      VAL  24  10.825   4.216  -0.240
  171   1HG2  VAL  24          HG22      VAL  24   8.231   1.539  -1.680
  172   2HG2  VAL  24          HG21      VAL  24   7.628   1.521  -0.023
  173   3HG2  VAL  24          HG23      VAL  24   7.567   3.009  -0.968
  174    H    SER  25           HN       SER  25  11.434   0.919   1.482
  175    HA   SER  25           HA       SER  25  13.502   2.795   1.872
  176   1HB   SER  25           HB2      SER  25  13.882   0.039   2.962
  177   2HB   SER  25           HB1      SER  25  14.112   1.594   3.751
  178    HG   SER  25           HG       SER  25  11.891   1.808   3.908
  179    H    THR  26           HN       THR  26  13.670  -0.440   0.402
  180    HA   THR  26           HA       THR  26  16.543  -0.376  -0.021
  181    HB   THR  26           HB       THR  26  14.324  -2.226  -0.933
  182    HG1  THR  26           HG1      THR  26  14.724  -2.744   1.064
  183   1HG2  THR  26          HG21      THR  26  17.304  -2.507  -1.441
  184   2HG2  THR  26          HG23      THR  26  16.120  -3.795  -1.666
  185   3HG2  THR  26          HG22      THR  26  16.045  -2.345  -2.666
  186    H    ARG  27           HN       ARG  27  13.797  -0.254  -2.308
  187    HA   ARG  27           HA       ARG  27  15.323   0.165  -4.656
  188   1HB   ARG  27           HB2      ARG  27  12.927  -0.482  -4.644
  189   2HB   ARG  27           HB1      ARG  27  12.507   1.130  -4.064
  190   1HG   ARG  27           HG2      ARG  27  12.823   2.089  -6.110
  191   2HG   ARG  27           HG1      ARG  27  14.220   1.079  -6.479
  192   1HD   ARG  27           HD2      ARG  27  12.231  -0.786  -6.499
  193   2HD   ARG  27           HD1      ARG  27  11.359   0.633  -7.079
  194    HE   ARG  27           HE       ARG  27  13.623  -0.689  -8.457
  195   1HH1  ARG  27          HH21      ARG  27  12.562   2.461  -8.127
  196   2HH1  ARG  27          HH22      ARG  27  12.213   2.715  -9.804
  197   1HH2  ARG  27          HH11      ARG  27  12.654  -0.607 -10.681
  198   2HH2  ARG  27          HH12      ARG  27  12.264   0.982 -11.245
  199    H    THR  28           HN       THR  28  14.406   2.384  -2.128
  200    HA   THR  28           HA       THR  28  15.110   4.730  -3.780
  201    HB   THR  28           HB       THR  28  14.084   6.070  -2.034
  202    HG1  THR  28           HG1      THR  28  13.274   5.009  -0.165
  203   1HG2  THR  28          HG23      THR  28  12.592   3.570  -2.788
  204   2HG2  THR  28          HG22      THR  28  11.836   4.864  -1.861
  205   3HG2  THR  28          HG21      THR  28  12.450   5.186  -3.481
  206    H    CYS  29           HN       CYS  29  15.963   3.766  -0.394
  207    HA   CYS  29           HA       CYS  29  18.529   5.217  -0.739
  208   1HB   CYS  29           HB2      CYS  29  16.893   4.453   1.659
  209   2HB   CYS  29           HB1      CYS  29  18.606   4.823   1.839
  210    H    GLY  30           HN       GLY  30  17.752   2.277  -1.486
  211   1HA   GLY  30           HA2      GLY  30  18.868   0.196  -1.555
  212   2HA   GLY  30           HA1      GLY  30  20.333   1.121  -1.223
  213    H    VAL  31           HN       VAL  31  17.752   1.352   1.100
  214    HA   VAL  31           HA       VAL  31  19.329  -0.306   3.025
  215    HB   VAL  31           HB       VAL  31  17.227   1.795   3.636
  216   1HG1  VAL  31          HG13      VAL  31  19.307   0.380   5.331
  217   2HG1  VAL  31          HG12      VAL  31  18.291   1.709   5.892
  218   3HG1  VAL  31          HG11      VAL  31  17.558   0.174   5.432
  219   1HG2  VAL  31          HG22      VAL  31  20.215   1.964   3.281
  220   2HG2  VAL  31          HG21      VAL  31  18.965   3.045   2.668
  221   3HG2  VAL  31          HG23      VAL  31  19.382   3.064   4.380
  222    H    GLY  32           HN       GLY  32  18.014  -1.608   4.582
  223   1HA   GLY  32           HA2      GLY  32  15.559  -2.323   5.010
  224   2HA   GLY  32           HA1      GLY  32  15.557  -2.601   3.264
  225    HA   PRO  33           HA       PRO  33  17.196  -6.449   5.552
  226   1HB   PRO  33           HB2      PRO  33  15.307  -8.258   4.630
  227   2HB   PRO  33           HB1      PRO  33  15.206  -7.413   6.183
  228   1HG   PRO  33           HG2      PRO  33  13.752  -6.851   3.627
  229   2HG   PRO  33           HG1      PRO  33  13.204  -6.651   5.301
  230   1HD   PRO  33           HD2      PRO  33  14.021  -4.569   3.709
  231   2HD   PRO  33           HD1      PRO  33  14.090  -4.546   5.488
  232    H    ARG  34           HN       ARG  34  17.876  -8.589   4.272
  233    HA   ARG  34           HA       ARG  34  18.830  -7.659   1.640
  234   1HB   ARG  34           HB2      ARG  34  20.293  -9.702   1.760
  235   2HB   ARG  34           HB1      ARG  34  20.532  -8.563   3.082
  236   1HG   ARG  34           HG2      ARG  34  19.623  -9.979   4.652
  237   2HG   ARG  34           HG1      ARG  34  18.517 -10.725   3.499
  238   1HD   ARG  34           HD2      ARG  34  20.684 -11.668   2.392
  239   2HD   ARG  34           HD1      ARG  34  21.442 -11.289   3.938
  240    HE   ARG  34           HE       ARG  34  18.986 -12.857   4.190
  241   1HH1  ARG  34          HH21      ARG  34  20.916 -13.269   6.251
  242   2HH1  ARG  34          HH22      ARG  34  21.797 -14.678   5.764
  243   1HH2  ARG  34          HH11      ARG  34  20.766 -14.504   2.455
  244   2HH2  ARG  34          HH12      ARG  34  21.712 -15.379   3.615
  245    H    LEU  35           HN       LEU  35  16.819  -7.835   0.560
  246    HA   LEU  35           HA       LEU  35  16.227 -10.594  -0.403
  247   1HB   LEU  35           HB2      LEU  35  14.146  -8.482   0.261
  248   2HB   LEU  35           HB1      LEU  35  13.822 -10.084  -0.404
  249    HG   LEU  35           HG       LEU  35  15.332  -9.741   2.184
  250   1HD1  LEU  35          HD11      LEU  35  12.407  -9.506   1.656
  251   2HD1  LEU  35          HD13      LEU  35  12.902 -10.448   3.063
  252   3HD1  LEU  35          HD12      LEU  35  13.386  -8.757   2.918
  253   1HD2  LEU  35          HD23      LEU  35  14.063 -11.947   0.627
  254   2HD2  LEU  35          HD22      LEU  35  15.549 -11.953   1.578
  255   3HD2  LEU  35          HD21      LEU  35  13.984 -12.052   2.386
  256    H    ALA  36           HN       ALA  36  15.940 -10.688  -2.631
  257    HA   ALA  36           HA       ALA  36  16.955  -8.633  -4.281
  258   1HB   ALA  36           HB2      ALA  36  15.359 -11.119  -4.770
  259   2HB   ALA  36           HB1      ALA  36  15.548  -9.972  -6.096
  260   3HB   ALA  36           HB3      ALA  36  16.971 -10.691  -5.343
  261    H    THR  37           HN       THR  37  15.757  -7.349  -5.952
  262    HA   THR  37           HA       THR  37  13.551  -5.894  -4.768
  263    HB   THR  37           HB       THR  37  13.538  -4.919  -7.250
  264    HG1  THR  37           HG1      THR  37  14.899  -6.262  -8.256
  265   1HG2  THR  37          HG21      THR  37  14.465  -4.040  -4.914
  266   2HG2  THR  37          HG23      THR  37  16.017  -4.291  -5.713
  267   3HG2  THR  37          HG22      THR  37  14.826  -3.201  -6.424
  268    H    GLN  38           HN       GLN  38  13.707  -7.805  -7.802
  269    HA   GLN  38           HA       GLN  38  10.969  -7.658  -8.452
  270   1HB   GLN  38           HB2      GLN  38  12.864  -8.656  -9.840
  271   2HB   GLN  38           HB1      GLN  38  12.674 -10.124  -8.884
  272   1HG   GLN  38           HG2      GLN  38  10.397 -10.401  -9.629
  273   2HG   GLN  38           HG1      GLN  38  10.406  -8.819 -10.409
  274   1HE2  GLN  38          HE22      GLN  38  12.991 -11.440 -12.220
  275   2HE2  GLN  38          HE21      GLN  38  13.107 -11.165 -10.549
  276    H    GLU  39           HN       GLU  39  12.593  -9.822  -6.196
  277    HA   GLU  39           HA       GLU  39  10.422 -11.617  -5.700
  278   1HB   GLU  39           HB2      GLU  39  12.747 -10.756  -3.958
  279   2HB   GLU  39           HB1      GLU  39  11.637 -12.061  -3.537
  280   1HG   GLU  39           HG2      GLU  39  13.092 -12.023  -6.180
  281   2HG   GLU  39           HG1      GLU  39  13.822 -12.723  -4.734
  282    H    MET  40           HN       MET  40  11.573  -8.859  -3.727
  283    HA   MET  40           HA       MET  40   9.519  -8.768  -1.803
  284   1HB   MET  40           HB2      MET  40  11.683  -7.320  -2.143
  285   2HB   MET  40           HB1      MET  40  10.599  -6.238  -2.996
  286   1HG   MET  40           HG2      MET  40   9.252  -5.866  -1.100
  287   2HG   MET  40           HG1      MET  40   9.889  -7.279  -0.261
  288   1HE   MET  40           HE2      MET  40  10.976  -7.155   1.462
  289   2HE   MET  40           HE1      MET  40  12.639  -7.211   0.879
  290   3HE   MET  40           HE3      MET  40  12.153  -5.989   2.063
  291    H    LYS  41           HN       LYS  41   9.722  -7.127  -4.918
  292    HA   LYS  41           HA       LYS  41   7.256  -5.735  -4.887
  293   1HB   LYS  41           HB2      LYS  41   9.116  -5.551  -6.619
  294   2HB   LYS  41           HB1      LYS  41   8.457  -7.009  -7.359
  295   1HG   LYS  41           HG2      LYS  41   6.204  -5.790  -7.398
  296   2HG   LYS  41           HG1      LYS  41   7.114  -4.324  -7.027
  297   1HD   LYS  41           HD2      LYS  41   7.946  -6.098  -9.314
  298   2HD   LYS  41           HD1      LYS  41   6.667  -4.902  -9.527
  299   1HE   LYS  41           HE2      LYS  41   8.415  -3.288  -8.373
  300   2HE   LYS  41           HE1      LYS  41   9.578  -4.479  -8.956
  301   1HZ   LYS  41           HZ1      LYS  41   8.456  -4.243 -11.176
  302   2HZ   LYS  41           HZ3      LYS  41   7.653  -2.887 -10.547
  303   3HZ   LYS  41           HZ2      LYS  41   9.349  -2.894 -10.657
  304    H    ALA  42           HN       ALA  42   7.976  -9.096  -5.769
  305    HA   ALA  42           HA       ALA  42   5.357  -9.779  -6.755
  306   1HB   ALA  42           HB3      ALA  42   7.814 -11.229  -5.955
  307   2HB   ALA  42           HB2      ALA  42   6.317 -12.146  -5.786
  308   3HB   ALA  42           HB1      ALA  42   6.768 -11.477  -7.354
  309    H    ARG  43           HN       ARG  43   6.848  -9.737  -3.561
  310    HA   ARG  43           HA       ARG  43   4.797 -11.117  -2.116
  311   1HB   ARG  43           HB2      ARG  43   7.067  -9.327  -1.450
  312   2HB   ARG  43           HB1      ARG  43   5.773  -9.397  -0.257
  313   1HG   ARG  43           HG2      ARG  43   7.436 -11.117   0.240
  314   2HG   ARG  43           HG1      ARG  43   5.935 -11.884  -0.282
  315   1HD   ARG  43           HD2      ARG  43   6.809 -12.512  -2.340
  316   2HD   ARG  43           HD1      ARG  43   7.996 -11.218  -2.346
  317    HE   ARG  43           HE       ARG  43   9.467 -12.862  -1.538
  318   1HH1  ARG  43          HH11      ARG  43   9.458 -12.975   1.104
  319   2HH1  ARG  43          HH12      ARG  43   8.571 -14.372   1.615
  320   1HH2  ARG  43          HH21      ARG  43   6.962 -14.787  -1.435
  321   2HH2  ARG  43          HH22      ARG  43   7.155 -15.401   0.173
  322    H    CYS  44           HN       CYS  44   5.292  -7.706  -2.921
  323    HA   CYS  44           HA       CYS  44   3.057  -6.656  -1.462
  324   1HB   CYS  44           HB2      CYS  44   4.691  -5.627  -3.761
  325   2HB   CYS  44           HB1      CYS  44   3.243  -4.768  -3.214
  326    H    CYS  45           HN       CYS  45   3.401  -7.861  -4.830
  327    HA   CYS  45           HA       CYS  45   0.737  -7.078  -5.655
  328   1HB   CYS  45           HB2      CYS  45   2.640  -9.164  -6.774
  329   2HB   CYS  45           HB1      CYS  45   1.116  -8.723  -7.524
  330    H    ARG  46           HN       ARG  46   2.086  -9.836  -3.978
  331    HA   ARG  46           HA       ARG  46  -0.230 -11.564  -4.305
  332   1HB   ARG  46           HB2      ARG  46   2.227 -12.148  -3.627
  333   2HB   ARG  46           HB1      ARG  46   1.693 -11.770  -2.005
  334   1HG   ARG  46           HG2      ARG  46   0.643 -13.740  -1.811
  335   2HG   ARG  46           HG1      ARG  46  -0.293 -13.427  -3.272
  336   1HD   ARG  46           HD2      ARG  46   2.561 -14.433  -3.327
  337   2HD   ARG  46           HD1      ARG  46   1.160 -15.503  -3.357
  338    HE   ARG  46           HE       ARG  46   1.093 -13.425  -5.416
  339   1HH1  ARG  46          HH11      ARG  46   3.388 -15.745  -5.031
  340   2HH1  ARG  46          HH12      ARG  46   2.956 -16.700  -6.411
  341   1HH2  ARG  46          HH21      ARG  46  -0.018 -15.012  -6.983
  342   2HH2  ARG  46          HH22      ARG  46   1.029 -16.285  -7.515
  343    H    GLN  47           HN       GLN  47   0.838  -9.112  -2.010
  344    HA   GLN  47           HA       GLN  47  -1.217  -9.702  -0.019
  345   1HB   GLN  47           HB2      GLN  47   0.413  -7.177  -0.456
  346   2HB   GLN  47           HB1      GLN  47  -0.538  -7.547   0.981
  347   1HG   GLN  47           HG2      GLN  47   1.175  -9.789   0.459
  348   2HG   GLN  47           HG1      GLN  47   2.156  -8.326   0.391
  349   1HE2  GLN  47          HE22      GLN  47   2.337  -8.408   3.911
  350   2HE2  GLN  47          HE21      GLN  47   3.177  -8.373   2.437
  351    H    LEU  48           HN       LEU  48  -0.908  -7.544  -2.786
  352    HA   LEU  48           HA       LEU  48  -3.372  -6.090  -2.299
  353   1HB   LEU  48           HB2      LEU  48  -1.288  -5.377  -3.687
  354   2HB   LEU  48           HB1      LEU  48  -2.024  -6.322  -4.982
  355    HG   LEU  48           HG       LEU  48  -3.889  -4.497  -3.590
  356   1HD1  LEU  48          HD11      LEU  48  -1.548  -3.317  -3.810
  357   2HD1  LEU  48          HD13      LEU  48  -1.972  -3.221  -5.520
  358   3HD1  LEU  48          HD12      LEU  48  -3.007  -2.461  -4.310
  359   1HD2  LEU  48          HD21      LEU  48  -3.185  -5.096  -6.480
  360   2HD2  LEU  48          HD23      LEU  48  -4.568  -5.716  -5.578
  361   3HD2  LEU  48          HD22      LEU  48  -4.478  -4.003  -5.984
  362    H    GLU  49           HN       GLU  49  -2.489  -9.051  -3.971
  363    HA   GLU  49           HA       GLU  49  -4.987  -9.237  -5.476
  364   1HB   GLU  49           HB2      GLU  49  -2.530 -10.855  -5.154
  365   2HB   GLU  49           HB1      GLU  49  -3.995 -11.812  -5.373
  366   1HG   GLU  49           HG2      GLU  49  -3.697  -9.463  -7.168
  367   2HG   GLU  49           HG1      GLU  49  -2.575 -10.796  -7.446
  368    H    ALA  50           HN       ALA  50  -3.645 -10.946  -2.605
  369    HA   ALA  50           HA       ALA  50  -5.931 -12.473  -1.901
  370   1HB   ALA  50           HB2      ALA  50  -3.589 -11.361  -0.420
  371   2HB   ALA  50           HB1      ALA  50  -4.978 -11.852   0.552
  372   3HB   ALA  50           HB3      ALA  50  -4.177 -13.022  -0.498
  373    H    ILE  51           HN       ILE  51  -4.979  -9.188  -1.065
  374    HA   ILE  51           HA       ILE  51  -7.381  -8.453   0.364
  375    HB   ILE  51           HB       ILE  51  -5.243  -6.810  -1.037
  376   1HG1  ILE  51          HG12      ILE  51  -4.586  -8.192   0.978
  377   2HG1  ILE  51          HG11      ILE  51  -4.328  -6.462   1.168
  378   1HG2  ILE  51          HG22      ILE  51  -7.817  -6.003   0.089
  379   2HG2  ILE  51          HG21      ILE  51  -6.466  -5.180   0.869
  380   3HG2  ILE  51          HG23      ILE  51  -6.676  -5.071  -0.879
  381   1HD1  ILE  51          HD11      ILE  51  -6.860  -7.812   2.131
  382   2HD1  ILE  51          HD13      ILE  51  -5.421  -7.692   3.143
  383   3HD1  ILE  51          HD12      ILE  51  -6.229  -6.230   2.582
  384    HA   PRO  52           HA       PRO  52  -9.556  -8.763  -3.598
  385   1HB   PRO  52           HB2      PRO  52 -12.047  -8.048  -2.621
  386   2HB   PRO  52           HB1      PRO  52 -11.385  -9.692  -2.590
  387   1HG   PRO  52           HG2      PRO  52 -11.528  -7.672  -0.369
  388   2HG   PRO  52           HG1      PRO  52 -11.703  -9.436  -0.294
  389   1HD   PRO  52           HD2      PRO  52  -9.392  -8.149   0.448
  390   2HD   PRO  52           HD1      PRO  52  -9.408  -9.796  -0.216
  391    H    ALA  53           HN       ALA  53 -10.361  -7.280  -5.108
  392    HA   ALA  53           HA       ALA  53  -9.289  -4.780  -5.346
  393   1HB   ALA  53           HB1      ALA  53 -11.971  -5.737  -6.335
  394   2HB   ALA  53           HB3      ALA  53 -11.225  -4.228  -6.861
  395   3HB   ALA  53           HB2      ALA  53 -10.432  -5.768  -7.194
  396    H    TYR  54           HN       TYR  54 -12.140  -5.542  -3.431
  397    HA   TYR  54           HA       TYR  54 -12.966  -2.788  -3.027
  398   1HB   TYR  54           HB2      TYR  54 -13.960  -5.384  -2.388
  399   2HB   TYR  54           HB1      TYR  54 -13.800  -4.512  -0.866
  400    HD1  TYR  54           HD2      TYR  54 -14.865  -2.219  -0.644
  401    HD2  TYR  54           HD1      TYR  54 -15.684  -4.856  -3.934
  402    HE1  TYR  54           HE2      TYR  54 -16.916  -0.928  -1.167
  403    HE2  TYR  54           HE1      TYR  54 -17.736  -3.565  -4.458
  404    HH   TYR  54           HH       TYR  54 -18.420  -0.908  -3.913
  405    H    CYS  55           HN       CYS  55 -12.182  -1.352  -1.561
  406    HA   CYS  55           HA       CYS  55 -11.038  -0.455   0.287
  407   1HB   CYS  55           HB2      CYS  55 -10.512  -3.272   1.251
  408   2HB   CYS  55           HB1      CYS  55 -10.607  -1.792   2.202
  409    H    ARG  56           HN       ARG  56  -9.635  -2.136  -2.195
  410    HA   ARG  56           HA       ARG  56  -7.042  -2.854  -1.410
  411   1HB   ARG  56           HB2      ARG  56  -8.338  -2.434  -3.862
  412   2HB   ARG  56           HB1      ARG  56  -6.948  -1.358  -3.919
  413   1HG   ARG  56           HG2      ARG  56  -5.933  -3.277  -4.668
  414   2HG   ARG  56           HG1      ARG  56  -5.705  -3.501  -2.937
  415   1HD   ARG  56           HD2      ARG  56  -6.989  -5.335  -2.934
  416   2HD   ARG  56           HD1      ARG  56  -8.316  -4.480  -3.699
  417    HE   ARG  56           HE       ARG  56  -6.934  -6.472  -5.013
  418   1HH1  ARG  56          HH21      ARG  56  -7.999  -3.283  -5.663
  419   2HH1  ARG  56          HH22      ARG  56  -7.417  -3.271  -7.291
  420   1HH2  ARG  56          HH11      ARG  56  -5.829  -6.341  -7.047
  421   2HH2  ARG  56          HH12      ARG  56  -6.195  -4.996  -8.077
  422    H    CYS  57           HN       CYS  57  -7.236   0.262  -3.175
  423    HA   CYS  57           HA       CYS  57  -5.002   1.514  -2.206
  424   1HB   CYS  57           HB2      CYS  57  -7.686   2.858  -2.609
  425   2HB   CYS  57           HB1      CYS  57  -6.123   3.680  -2.586
  426    H    GLU  58           HN       GLU  58  -8.116   1.582  -0.308
  427    HA   GLU  58           HA       GLU  58  -7.567   3.272   1.754
  428   1HB   GLU  58           HB2      GLU  58  -9.537   1.671   1.462
  429   2HB   GLU  58           HB1      GLU  58  -8.554   0.478   2.313
  430   1HG   GLU  58           HG2      GLU  58  -8.400   1.882   4.264
  431   2HG   GLU  58           HG1      GLU  58  -9.138   3.239   3.410
  432    H    ALA  59           HN       ALA  59  -6.349  -0.142   1.735
  433    HA   ALA  59           HA       ALA  59  -5.001  -0.271   4.141
  434   1HB   ALA  59           HB1      ALA  59  -5.085  -2.070   2.403
  435   2HB   ALA  59           HB3      ALA  59  -3.801  -1.223   1.541
  436   3HB   ALA  59           HB2      ALA  59  -3.499  -1.878   3.150
  437    H    VAL  60           HN       VAL  60  -3.644   1.182   1.205
  438    HA   VAL  60           HA       VAL  60  -1.095   1.921   2.140
  439    HB   VAL  60           HB       VAL  60  -2.875   3.538   0.289
  440   1HG1  VAL  60          HG12      VAL  60  -0.673   4.516   1.251
  441   2HG1  VAL  60          HG11      VAL  60   0.135   3.330   0.222
  442   3HG1  VAL  60          HG13      VAL  60  -0.902   4.566  -0.500
  443   1HG2  VAL  60          HG22      VAL  60  -2.241   0.932  -0.108
  444   2HG2  VAL  60          HG21      VAL  60  -2.382   2.095  -1.425
  445   3HG2  VAL  60          HG23      VAL  60  -0.796   1.692  -0.771
  446    H    ARG  61           HN       ARG  61  -4.173   3.670   2.327
  447    HA   ARG  61           HA       ARG  61  -3.237   5.998   3.692
  448   1HB   ARG  61           HB2      ARG  61  -5.863   4.721   3.196
  449   2HB   ARG  61           HB1      ARG  61  -5.790   5.772   4.609
  450   1HG   ARG  61           HG2      ARG  61  -6.130   7.469   3.150
  451   2HG   ARG  61           HG1      ARG  61  -4.435   7.255   2.717
  452   1HD   ARG  61           HD2      ARG  61  -4.987   6.521   0.660
  453   2HD   ARG  61           HD1      ARG  61  -6.100   5.324   1.323
  454    HE   ARG  61           HE       ARG  61  -7.009   8.148   1.148
  455   1HH1  ARG  61          HH11      ARG  61  -6.692   5.793  -1.103
  456   2HH1  ARG  61          HH12      ARG  61  -8.381   5.526  -1.379
  457   1HH2  ARG  61          HH21      ARG  61  -9.388   7.408   1.357
  458   2HH2  ARG  61          HH22      ARG  61  -9.911   6.444   0.017
  459    H    ILE  62           HN       ILE  62  -4.148   2.804   4.888
  460    HA   ILE  62           HA       ILE  62  -4.193   3.542   7.697
  461    HB   ILE  62           HB       ILE  62  -4.052   0.926   6.169
  462   1HG1  ILE  62          HG12      ILE  62  -6.079   0.852   8.096
  463   2HG1  ILE  62          HG11      ILE  62  -6.078   2.526   7.547
  464   1HG2  ILE  62          HG23      ILE  62  -3.292   1.355   9.017
  465   2HG2  ILE  62          HG22      ILE  62  -4.360  -0.008   8.682
  466   3HG2  ILE  62          HG21      ILE  62  -2.786   0.092   7.893
  467   1HD1  ILE  62          HD11      ILE  62  -6.131   0.139   5.686
  468   2HD1  ILE  62          HD13      ILE  62  -7.573   1.005   6.213
  469   3HD1  ILE  62          HD12      ILE  62  -6.352   1.832   5.249
  470    H    LEU  63           HN       LEU  63  -1.693   2.679   5.397
  471    HA   LEU  63           HA       LEU  63   0.300   2.215   7.464
  472   1HB   LEU  63           HB2      LEU  63   0.267   1.336   4.994
  473   2HB   LEU  63           HB1      LEU  63   0.959   2.906   4.603
  474    HG   LEU  63           HG       LEU  63   2.706   1.179   4.916
  475   1HD1  LEU  63          HD13      LEU  63   2.824   3.712   5.776
  476   2HD1  LEU  63          HD12      LEU  63   3.045   2.898   7.324
  477   3HD1  LEU  63          HD11      LEU  63   4.163   2.586   5.998
  478   1HD2  LEU  63          HD21      LEU  63   1.151   0.116   6.818
  479   2HD2  LEU  63          HD23      LEU  63   2.898  -0.131   6.798
  480   3HD2  LEU  63          HD22      LEU  63   2.191   1.094   7.853
  481    H    MET  64           HN       MET  64  -0.568   4.961   5.397
  482    HA   MET  64           HA       MET  64   1.626   6.606   6.396
  483   1HB   MET  64           HB2      MET  64   0.592   6.920   4.130
  484   2HB   MET  64           HB1      MET  64  -0.882   7.491   4.913
  485   1HG   MET  64           HG2      MET  64   0.596   9.211   6.106
  486   2HG   MET  64           HG1      MET  64   1.863   8.762   4.964
  487   1HE   MET  64           HE2      MET  64  -0.590  11.019   5.895
  488   2HE   MET  64           HE1      MET  64  -1.454  11.657   4.497
  489   3HE   MET  64           HE3      MET  64  -1.924  10.106   5.200
  490    H    ASP  65           HN       ASP  65  -1.927   6.739   6.805
  491    HA   ASP  65           HA       ASP  65  -1.665   8.659   8.996
  492   1HB   ASP  65           HB2      ASP  65  -4.091   7.473   7.604
  493   2HB   ASP  65           HB1      ASP  65  -4.244   8.275   9.167
  494    H    GLY  66           HN       GLY  66  -1.900   5.180   8.740
  495   1HA   GLY  66           HA2      GLY  66  -1.506   3.672  10.553
  496   2HA   GLY  66           HA1      GLY  66  -1.727   5.005  11.684
  497    H    VAL  67           HN       VAL  67  -2.981   2.308  11.622
  498    HA   VAL  67           HA       VAL  67  -5.865   3.100  11.457
  499    HB   VAL  67           HB       VAL  67  -5.313   1.385   9.827
  500   1HG1  VAL  67          HG13      VAL  67  -4.252  -0.135  12.225
  501   2HG1  VAL  67          HG12      VAL  67  -4.474  -0.839  10.622
  502   3HG1  VAL  67          HG11      VAL  67  -3.312   0.467  10.858
  503   1HG2  VAL  67          HG21      VAL  67  -7.504   1.247  11.019
  504   2HG2  VAL  67          HG23      VAL  67  -6.925  -0.328  10.476
  505   3HG2  VAL  67          HG22      VAL  67  -6.771   0.132  12.172
  506    H    VAL  68           HN       VAL  68  -7.279   2.075  13.081
  507    HA   VAL  68           HA       VAL  68  -5.819   1.555  15.632
  508    HB   VAL  68           HB       VAL  68  -8.501   2.896  15.168
  509   1HG1  VAL  68          HG13      VAL  68  -7.111   2.190  17.781
  510   2HG1  VAL  68          HG12      VAL  68  -8.553   3.196  17.638
  511   3HG1  VAL  68          HG11      VAL  68  -8.621   1.491  17.194
  512   1HG2  VAL  68          HG22      VAL  68  -5.737   3.762  15.924
  513   2HG2  VAL  68          HG21      VAL  68  -6.893   4.541  14.845
  514   3HG2  VAL  68          HG23      VAL  68  -7.108   4.646  16.593
  515    H    THR  69           HN       THR  69  -6.819   0.134  17.120
  516    HA   THR  69           HA       THR  69  -8.399  -2.066  15.881
  517    HB   THR  69           HB       THR  69  -7.240  -3.512  17.605
  518    HG1  THR  69           HG1      THR  69  -6.473  -1.219  18.545
  519   1HG2  THR  69          HG23      THR  69  -6.550  -3.173  15.156
  520   2HG2  THR  69          HG22      THR  69  -5.268  -2.139  15.787
  521   3HG2  THR  69          HG21      THR  69  -5.334  -3.841  16.245
  522    H    SER  70           HN       SER  70  -9.727  -3.255  17.388
  523    HA   SER  70           HA       SER  70 -11.475  -1.618  18.919
  524   1HB   SER  70           HB2      SER  70 -11.992  -3.851  17.794
  525   2HB   SER  70           HB1      SER  70 -11.205  -4.614  19.173
  526    HG   SER  70           HG       SER  70 -12.716  -3.369  20.488
  527    H    SER  71           HN       SER  71  -8.785  -3.636  19.789
  528    HA   SER  71           HA       SER  71  -9.142  -3.662  22.630
  529   1HB   SER  71           HB2      SER  71  -6.581  -4.024  22.594
  530   2HB   SER  71           HB1      SER  71  -7.586  -5.227  21.787
  531    HG   SER  71           HG       SER  71  -5.750  -4.421  20.552
  532    H    GLY  72           HN       GLY  72  -8.161  -1.155  20.467
  533   1HA   GLY  72           HA2      GLY  72  -8.079   1.172  21.209
  534   2HA   GLY  72           HA1      GLY  72  -7.535   0.597  22.787
  535    H    GLN  73           HN       GLN  73  -5.942  -1.145  20.314
  536    HA   GLN  73           HA       GLN  73  -3.470   0.454  20.793
  537   1HB   GLN  73           HB2      GLN  73  -3.876  -2.301  19.589
  538   2HB   GLN  73           HB1      GLN  73  -2.309  -1.532  19.847
  539   1HG   GLN  73           HG2      GLN  73  -4.244  -1.792  22.134
  540   2HG   GLN  73           HG1      GLN  73  -3.235  -3.165  21.676
  541   1HE2  GLN  73          HE22      GLN  73  -1.550   0.057  23.525
  542   2HE2  GLN  73          HE21      GLN  73  -3.179   0.094  23.048
  543    H    HIS  74           HN       HIS  74  -2.063   0.995  18.939
  544    HA   HIS  74           HA       HIS  74  -3.603   1.368  16.400
  545   1HB   HIS  74           HB2      HIS  74  -1.500   3.028  17.772
  546   2HB   HIS  74           HB1      HIS  74  -1.835   3.213  16.069
  547    HD1  HIS  74           HD1      HIS  74  -2.983   5.474  16.118
  548    HD2  HIS  74           HD2      HIS  74  -4.692   2.762  18.779
  549    HE1  HIS  74           HE1      HIS  74  -5.088   6.568  17.003
  550    H    GLU  75           HN       GLU  75  -2.348   1.128  14.441
  551    HA   GLU  75           HA       GLU  75   0.305  -0.153  14.685
  552   1HB   GLU  75           HB2      GLU  75  -2.032  -1.372  13.198
  553   2HB   GLU  75           HB1      GLU  75  -0.361  -1.912  13.060
  554   1HG   GLU  75           HG2      GLU  75  -0.379  -2.952  15.084
  555   2HG   GLU  75           HG1      GLU  75  -1.387  -1.717  15.828
  556    H    GLY  76           HN       GLY  76   0.953  -0.714  12.198
  557   1HA   GLY  76           HA2      GLY  76   1.679   0.230  10.182
  558   2HA   GLY  76           HA1      GLY  76   0.105   1.031  10.114
  559    H    ARG  77           HN       ARG  77   0.832   3.061   9.484
  560    HA   ARG  77           HA       ARG  77   1.748   5.216   9.720
  561   1HB   ARG  77           HB2      ARG  77   0.725   4.363  12.263
  562   2HB   ARG  77           HB1      ARG  77   2.179   5.317  12.544
  563   1HG   ARG  77           HG2      ARG  77   0.296   6.394  10.513
  564   2HG   ARG  77           HG1      ARG  77  -0.271   6.423  12.183
  565   1HD   ARG  77           HD2      ARG  77   1.629   7.706  12.896
  566   2HD   ARG  77           HD1      ARG  77   2.443   7.473  11.349
  567    HE   ARG  77           HE       ARG  77   0.366   8.803  10.435
  568   1HH1  ARG  77          HH11      ARG  77  -1.119  10.235  11.901
  569   2HH1  ARG  77          HH12      ARG  77  -0.218  11.441  12.759
  570   1HH2  ARG  77          HH21      ARG  77   2.848   9.910  12.228
  571   2HH2  ARG  77          HH22      ARG  77   2.027  11.257  12.944
  572    H    LEU  78           HN       LEU  78   3.603   2.731   9.649
  573    HA   LEU  78           HA       LEU  78   5.939   3.540  11.202
  574   1HB   LEU  78           HB2      LEU  78   5.454   1.371   9.149
  575   2HB   LEU  78           HB1      LEU  78   7.032   1.649   9.891
  576    HG   LEU  78           HG       LEU  78   4.539   1.275  11.554
  577   1HD1  LEU  78          HD12      LEU  78   5.263  -0.661   9.872
  578   2HD1  LEU  78          HD11      LEU  78   6.472  -0.966  11.118
  579   3HD1  LEU  78          HD13      LEU  78   4.756  -1.027  11.520
  580   1HD2  LEU  78          HD22      LEU  78   7.424   1.647  12.016
  581   2HD2  LEU  78          HD21      LEU  78   6.069   1.889  13.118
  582   3HD2  LEU  78          HD23      LEU  78   6.748   0.278  12.898
  583    H    LEU  79           HN       LEU  79   4.658   4.380   8.106
  584    HA   LEU  79           HA       LEU  79   7.000   4.822   6.573
  585   1HB   LEU  79           HB2      LEU  79   4.502   5.055   5.904
  586   2HB   LEU  79           HB1      LEU  79   4.633   6.698   6.532
  587    HG   LEU  79           HG       LEU  79   6.794   5.818   4.691
  588   1HD1  LEU  79          HD13      LEU  79   3.906   6.000   3.934
  589   2HD1  LEU  79          HD12      LEU  79   5.097   6.665   2.817
  590   3HD1  LEU  79          HD11      LEU  79   5.173   4.963   3.277
  591   1HD2  LEU  79          HD22      LEU  79   5.375   8.287   5.534
  592   2HD2  LEU  79          HD21      LEU  79   7.078   8.045   5.144
  593   3HD2  LEU  79          HD23      LEU  79   5.898   8.249   3.850
  594    H    GLN  80           HN       GLN  80   8.651   5.634   7.896
  595    HA   GLN  80           HA       GLN  80   8.342   8.484   8.752
  596   1HB   GLN  80           HB2      GLN  80   9.841   6.271  10.186
  597   2HB   GLN  80           HB1      GLN  80   9.855   7.972  10.651
  598   1HG   GLN  80           HG2      GLN  80   7.306   6.360  10.405
  599   2HG   GLN  80           HG1      GLN  80   8.197   6.517  11.918
  600   1HE2  GLN  80          HE22      GLN  80   5.563   9.296  11.316
  601   2HE2  GLN  80          HE21      GLN  80   5.469   7.644  10.934
  602    H    ASP  81           HN       ASP  81  10.700   9.304   9.261
  603    HA   ASP  81           HA       ASP  81  12.129   9.247   6.740
  604   1HB   ASP  81           HB2      ASP  81  12.930  10.509   9.389
  605   2HB   ASP  81           HB1      ASP  81  13.636  10.851   7.808
  606    H    LEU  82           HN       LEU  82  13.240   7.456   6.275
  607    HA   LEU  82           HA       LEU  82  14.754   5.911   8.263
  608   1HB   LEU  82           HB2      LEU  82  14.201   5.700   5.300
  609   2HB   LEU  82           HB1      LEU  82  15.474   4.728   6.015
  610    HG   LEU  82           HG       LEU  82  12.666   4.786   7.139
  611   1HD1  LEU  82          HD13      LEU  82  13.807   3.255   4.840
  612   2HD1  LEU  82          HD12      LEU  82  12.727   2.400   5.943
  613   3HD1  LEU  82          HD11      LEU  82  12.162   3.839   5.093
  614   1HD2  LEU  82          HD21      LEU  82  15.071   2.968   7.445
  615   2HD2  LEU  82          HD23      LEU  82  14.270   3.914   8.699
  616   3HD2  LEU  82          HD22      LEU  82  13.457   2.517   7.994
  617    HA   PRO  83           HA       PRO  83  18.569   8.014   7.696
  618   1HB   PRO  83           HB2      PRO  83  20.452   6.061   7.177
  619   2HB   PRO  83           HB1      PRO  83  19.791   6.417   8.782
  620   1HG   PRO  83           HG2      PRO  83  19.127   4.164   6.926
  621   2HG   PRO  83           HG1      PRO  83  19.120   4.197   8.698
  622   1HD   PRO  83           HD2      PRO  83  16.838   4.349   7.132
  623   2HD   PRO  83           HD1      PRO  83  16.936   4.944   8.797
  624    H    GLY  84           HN       GLY  84  18.272   9.253   5.917
  625   1HA   GLY  84           HA2      GLY  84  19.320  10.010   3.877
  626   2HA   GLY  84           HA1      GLY  84  19.520   8.332   3.363
  627    H    CYS  85           HN       CYS  85  16.447   8.116   4.478
  628    HA   CYS  85           HA       CYS  85  15.251   9.243   1.993
  629   1HB   CYS  85           HB2      CYS  85  14.928   6.528   3.184
  630   2HB   CYS  85           HB1      CYS  85  13.558   7.251   2.347
  631    HA   PRO  86           HA       PRO  86  12.980  11.067   5.561
  632   1HB   PRO  86           HB2      PRO  86  12.240  13.370   4.229
  633   2HB   PRO  86           HB1      PRO  86  13.748  13.194   5.114
  634   1HG   PRO  86           HG2      PRO  86  13.286  13.164   2.179
  635   2HG   PRO  86           HG1      PRO  86  14.734  13.647   3.080
  636   1HD   PRO  86           HD2      PRO  86  14.414  11.226   1.723
  637   2HD   PRO  86           HD1      PRO  86  15.630  11.531   2.983
  638    H    ARG  87           HN       ARG  87  10.643  11.760   5.745
  639    HA   ARG  87           HA       ARG  87   8.753  10.082   4.604
  640   1HB   ARG  87           HB2      ARG  87   8.378  12.999   5.345
  641   2HB   ARG  87           HB1      ARG  87   7.091  11.817   5.168
  642   1HG   ARG  87           HG2      ARG  87   8.982  10.671   6.934
  643   2HG   ARG  87           HG1      ARG  87   8.773  12.344   7.446
  644   1HD   ARG  87           HD2      ARG  87   6.588  10.273   7.078
  645   2HD   ARG  87           HD1      ARG  87   7.119  10.994   8.598
  646    HE   ARG  87           HE       ARG  87   6.223  13.000   6.699
  647   1HH1  ARG  87          HH21      ARG  87   4.439  10.420   7.650
  648   2HH1  ARG  87          HH22      ARG  87   3.305  11.289   8.628
  649   1HH2  ARG  87          HH11      ARG  87   5.118  14.246   8.561
  650   2HH2  ARG  87          HH12      ARG  87   3.690  13.457   9.144
  651    H    GLN  88           HN       GLN  88  10.210  12.989   3.301
  652    HA   GLN  88           HA       GLN  88   8.361  13.665   1.255
  653   1HB   GLN  88           HB2      GLN  88  10.565  14.836   2.072
  654   2HB   GLN  88           HB1      GLN  88  11.305  13.915   0.760
  655   1HG   GLN  88           HG2      GLN  88   8.788  15.471   0.240
  656   2HG   GLN  88           HG1      GLN  88  10.338  16.312   0.273
  657   1HE2  GLN  88          HE22      GLN  88   9.376  14.551  -3.104
  658   2HE2  GLN  88          HE21      GLN  88   8.294  15.152  -1.943
  659    H    VAL  89           HN       VAL  89  11.267  11.553   0.926
  660    HA   VAL  89           HA       VAL  89  10.821  10.875  -1.805
  661    HB   VAL  89           HB       VAL  89  12.277   9.381   0.391
  662   1HG1  VAL  89          HG12      VAL  89  11.728   8.071  -1.728
  663   2HG1  VAL  89          HG11      VAL  89  12.720   9.240  -2.599
  664   3HG1  VAL  89          HG13      VAL  89  13.445   8.221  -1.357
  665   1HG2  VAL  89          HG22      VAL  89  13.012  11.690   0.066
  666   2HG2  VAL  89          HG21      VAL  89  14.234  10.544  -0.479
  667   3HG2  VAL  89          HG23      VAL  89  13.221  11.377  -1.657
  668    H    GLN  90           HN       GLN  90   9.879   9.328   1.226
  669    HA   GLN  90           HA       GLN  90   8.668   6.996   0.075
  670   1HB   GLN  90           HB2      GLN  90   9.139   7.913   2.655
  671   2HB   GLN  90           HB1      GLN  90   7.382   7.973   2.535
  672   1HG   GLN  90           HG2      GLN  90   7.213   5.723   2.625
  673   2HG   GLN  90           HG1      GLN  90   8.430   5.513   1.368
  674   1HE2  GLN  90          HE22      GLN  90  11.110   5.683   3.961
  675   2HE2  GLN  90          HE21      GLN  90  10.722   6.580   2.572
  676    H    ARG  91           HN       ARG  91   7.614  10.304   0.424
  677    HA   ARG  91           HA       ARG  91   4.788   9.741  -0.047
  678   1HB   ARG  91           HB2      ARG  91   6.281  11.967   0.862
  679   2HB   ARG  91           HB1      ARG  91   5.530  12.479  -0.651
  680   1HG   ARG  91           HG2      ARG  91   3.854  12.962   0.902
  681   2HG   ARG  91           HG1      ARG  91   3.382  11.350   0.360
  682   1HD   ARG  91           HD2      ARG  91   4.734  10.424   2.303
  683   2HD   ARG  91           HD1      ARG  91   4.871  12.081   2.893
  684    HE   ARG  91           HE       ARG  91   2.276  10.625   2.593
  685   1HH1  ARG  91          HH11      ARG  91   1.006  12.865   2.952
  686   2HH1  ARG  91          HH12      ARG  91   1.287  13.469   4.552
  687   1HH2  ARG  91          HH21      ARG  91   4.069  11.476   5.104
  688   2HH2  ARG  91          HH22      ARG  91   3.020  12.682   5.770
  689    H    ALA  92           HN       ALA  92   7.596  10.639  -2.022
  690    HA   ALA  92           HA       ALA  92   6.115  11.262  -4.425
  691   1HB   ALA  92           HB1      ALA  92   8.949  10.828  -3.675
  692   2HB   ALA  92           HB3      ALA  92   8.551  10.460  -5.353
  693   3HB   ALA  92           HB2      ALA  92   8.236  12.069  -4.704
  694    H    PHE  93           HN       PHE  93   7.825   8.349  -3.303
  695    HA   PHE  93           HA       PHE  93   6.967   6.722  -5.567
  696   1HB   PHE  93           HB2      PHE  93   9.089   6.228  -4.486
  697   2HB   PHE  93           HB1      PHE  93   8.289   6.026  -2.933
  698    HD1  PHE  93           HD2      PHE  93   6.835   4.067  -2.496
  699    HD2  PHE  93           HD1      PHE  93   8.995   4.502  -6.183
  700    HE1  PHE  93           HE2      PHE  93   6.425   1.679  -3.017
  701    HE2  PHE  93           HE1      PHE  93   8.583   2.114  -6.707
  702    HZ   PHE  93           HZ       PHE  93   7.300   0.701  -5.125
  703    H    ALA  94           HN       ALA  94   5.725   7.443  -2.389
  704    HA   ALA  94           HA       ALA  94   4.241   5.296  -1.604
  705   1HB   ALA  94           HB2      ALA  94   3.894   8.219  -1.379
  706   2HB   ALA  94           HB1      ALA  94   2.432   7.276  -1.095
  707   3HB   ALA  94           HB3      ALA  94   3.875   6.980  -0.124
  708    HA   PRO  95           HA       PRO  95   0.537   6.288  -4.470
  709   1HB   PRO  95           HB2      PRO  95   0.963   8.013  -6.579
  710   2HB   PRO  95           HB1      PRO  95   0.301   8.502  -5.010
  711   1HG   PRO  95           HG2      PRO  95   3.039   8.932  -6.111
  712   2HG   PRO  95           HG1      PRO  95   2.140   9.897  -4.928
  713   1HD   PRO  95           HD2      PRO  95   4.195   8.090  -4.319
  714   2HD   PRO  95           HD1      PRO  95   3.033   8.729  -3.150
  715    H    LYS  96           HN       LYS  96   0.378   6.218  -7.263
  716    HA   LYS  96           HA       LYS  96   0.810   4.780  -9.073
  717   1HB   LYS  96           HB2      LYS  96   3.480   5.460  -7.975
  718   2HB   LYS  96           HB1      LYS  96   3.424   3.989  -8.946
  719   1HG   LYS  96           HG2      LYS  96   3.854   5.736 -10.502
  720   2HG   LYS  96           HG1      LYS  96   2.140   5.366 -10.684
  721   1HD   LYS  96           HD2      LYS  96   1.657   7.519 -10.240
  722   2HD   LYS  96           HD1      LYS  96   2.313   7.307  -8.618
  723   1HE   LYS  96           HE2      LYS  96   3.607   9.070  -9.472
  724   2HE   LYS  96           HE1      LYS  96   4.628   7.663  -9.766
  725   1HZ   LYS  96           HZ1      LYS  96   2.695   8.544 -11.805
  726   2HZ   LYS  96           HZ3      LYS  96   4.198   9.319 -11.671
  727   3HZ   LYS  96           HZ2      LYS  96   4.129   7.653 -12.001
  728    H    LEU  97           HN       LEU  97   0.115   3.822  -6.290
  729    HA   LEU  97           HA       LEU  97   1.392   1.263  -5.850
  730   1HB   LEU  97           HB2      LEU  97  -1.105   2.574  -4.780
  731   2HB   LEU  97           HB1      LEU  97  -0.639   0.937  -4.310
  732    HG   LEU  97           HG       LEU  97   1.479   3.028  -4.182
  733   1HD1  LEU  97          HD12      LEU  97  -1.024   3.037  -2.550
  734   2HD1  LEU  97          HD11      LEU  97   0.500   3.364  -1.724
  735   3HD1  LEU  97          HD13      LEU  97  -0.015   4.387  -3.064
  736   1HD2  LEU  97          HD23      LEU  97   0.706   0.469  -2.854
  737   2HD2  LEU  97          HD22      LEU  97   2.289   1.014  -3.406
  738   3HD2  LEU  97          HD21      LEU  97   1.624   1.629  -1.891
  739    H    VAL  98           HN       VAL  98  -2.105   1.814  -6.642
  740    HA   VAL  98           HA       VAL  98  -2.241  -0.885  -7.784
  741    HB   VAL  98           HB       VAL  98  -4.608  -0.481  -7.964
  742   1HG1  VAL  98          HG13      VAL  98  -3.379  -0.808  -5.710
  743   2HG1  VAL  98          HG12      VAL  98  -3.814   0.878  -5.416
  744   3HG1  VAL  98          HG11      VAL  98  -5.076  -0.327  -5.684
  745   1HG2  VAL  98          HG23      VAL  98  -3.746   2.348  -7.858
  746   2HG2  VAL  98          HG22      VAL  98  -5.167   1.641  -8.624
  747   3HG2  VAL  98          HG21      VAL  98  -5.178   1.987  -6.898
  748    H    THR  99           HN       THR  99  -0.732   1.410  -9.141
  749    HA   THR  99           HA       THR  99  -2.204   1.523 -11.695
  750    HB   THR  99           HB       THR  99  -0.703   3.313 -12.339
  751    HG1  THR  99           HG1      THR  99   1.158   3.674 -11.332
  752   1HG2  THR  99          HG23      THR  99  -2.490   3.587 -10.410
  753   2HG2  THR  99          HG22      THR  99  -1.053   3.918  -9.442
  754   3HG2  THR  99          HG21      THR  99  -1.415   4.914 -10.852
  755    H    GLU 100           HN       GLU 100  -0.608   1.304 -13.723
  756    HA   GLU 100           HA       GLU 100   0.401  -1.347 -13.732
  757   1HB   GLU 100           HB2      GLU 100   0.054   0.741 -15.580
  758   2HB   GLU 100           HB1      GLU 100   1.773   0.363 -15.653
  759   1HG   GLU 100           HG2      GLU 100   1.034  -2.107 -15.784
  760   2HG   GLU 100           HG1      GLU 100  -0.571  -1.472 -16.149
  761    H    VAL 101           HN       VAL 101   1.902   1.286 -12.041
  762    HA   VAL 101           HA       VAL 101   4.647   0.382 -12.623
  763    HB   VAL 101           HB       VAL 101   3.719   2.493 -10.657
  764   1HG1  VAL 101          HG12      VAL 101   6.340   1.572 -11.758
  765   2HG1  VAL 101          HG11      VAL 101   6.133   3.297 -11.456
  766   3HG1  VAL 101          HG13      VAL 101   5.943   2.141 -10.137
  767   1HG2  VAL 101          HG23      VAL 101   4.114   2.538 -13.628
  768   2HG2  VAL 101          HG22      VAL 101   2.934   3.404 -12.643
  769   3HG2  VAL 101          HG21      VAL 101   4.609   3.952 -12.697
  770    H    GLU 102           HN       GLU 102   2.242  -0.770 -10.588
  771    HA   GLU 102           HA       GLU 102   4.302  -1.907  -8.771
  772   1HB   GLU 102           HB2      GLU 102   2.208  -0.017  -8.012
  773   2HB   GLU 102           HB1      GLU 102   2.145  -1.502  -7.060
  774   1HG   GLU 102           HG2      GLU 102   4.767  -0.092  -7.527
  775   2HG   GLU 102           HG1      GLU 102   3.683   0.435  -6.238
  776    H    CYS 103           HN       CYS 103   0.783  -2.223  -8.273
  777    HA   CYS 103           HA       CYS 103   0.825  -4.955  -9.491
  778   1HB   CYS 103           HB2      CYS 103  -0.063  -4.444  -6.629
  779   2HB   CYS 103           HB1      CYS 103  -0.025  -5.994  -7.462
  780    H    ASN 104           HN       ASN 104  -0.546  -2.583 -10.433
  781    HA   ASN 104           HA       ASN 104  -3.026  -1.879  -9.660
  782   1HB   ASN 104           HB2      ASN 104  -3.710  -1.820 -12.114
  783   2HB   ASN 104           HB1      ASN 104  -2.242  -0.958 -11.686
  784   1HD2  ASN 104          HD22      ASN 104  -1.974  -3.615 -14.580
  785   2HD2  ASN 104          HD21      ASN 104  -3.380  -2.784 -14.117
  786    H    LEU 105           HN       LEU 105  -2.787  -4.785 -11.807
  787    HA   LEU 105           HA       LEU 105  -4.379  -6.512 -12.113
  788   1HB   LEU 105           HB2      LEU 105  -4.204  -6.136  -9.122
  789   2HB   LEU 105           HB1      LEU 105  -5.191  -7.414  -9.830
  790    HG   LEU 105           HG       LEU 105  -2.474  -7.252 -10.962
  791   1HD1  LEU 105          HD12      LEU 105  -2.931  -7.742  -8.019
  792   2HD1  LEU 105          HD11      LEU 105  -1.576  -8.483  -8.870
  793   3HD1  LEU 105          HD13      LEU 105  -1.710  -6.726  -8.787
  794   1HD2  LEU 105          HD23      LEU 105  -4.449  -9.078 -11.001
  795   2HD2  LEU 105          HD22      LEU 105  -2.752  -9.535 -11.141
  796   3HD2  LEU 105          HD21      LEU 105  -3.573  -9.661  -9.585
  797    H    ALA 106           HN       ALA 106  -5.522  -3.682 -12.145
  798    HA   ALA 106           HA       ALA 106  -7.640  -2.732 -12.432
  799   1HB   ALA 106           HB2      ALA 106  -8.107  -5.551 -12.660
  800   2HB   ALA 106           HB1      ALA 106  -9.413  -4.860 -11.695
  801   3HB   ALA 106           HB3      ALA 106  -9.078  -4.229 -13.308
  802    H    THR 107           HN       THR 107  -9.241  -1.767 -11.072
  803    HA   THR 107           HA       THR 107  -8.982  -2.438  -8.160
  804    HB   THR 107           HB       THR 107  -8.853  -0.146  -7.579
  805    HG1  THR 107           HG1      THR 107  -9.784   0.429 -10.205
  806   1HG2  THR 107          HG23      THR 107  -7.513  -0.313 -10.284
  807   2HG2  THR 107          HG22      THR 107  -7.170   0.886  -9.037
  808   3HG2  THR 107          HG21      THR 107  -6.809  -0.815  -8.747
  809    H    ILE 108           HN       ILE 108 -10.997  -0.684  -7.243
  810    HA   ILE 108           HA       ILE 108 -13.399  -2.177  -7.787
  811    HB   ILE 108           HB       ILE 108 -13.012  -0.993  -5.644
  812   1HG1  ILE 108          HG12      ILE 108 -15.241   0.175  -5.514
  813   2HG1  ILE 108          HG11      ILE 108 -15.388  -0.024  -7.261
  814   1HG2  ILE 108          HG23      ILE 108 -11.972   1.028  -7.024
  815   2HG2  ILE 108          HG22      ILE 108 -13.627   1.631  -6.947
  816   3HG2  ILE 108          HG21      ILE 108 -12.739   1.302  -5.459
  817   1HD1  ILE 108          HD12      ILE 108 -14.703  -2.455  -5.684
  818   2HD1  ILE 108          HD11      ILE 108 -16.349  -1.841  -5.526
  819   3HD1  ILE 108          HD13      ILE 108 -15.724  -2.293  -7.112
  820    H    HIS 109           HN       HIS 109 -11.976   0.755  -9.060
  821    HA   HIS 109           HA       HIS 109 -14.282   1.698 -10.541
  822   1HB   HIS 109           HB2      HIS 109 -11.336   2.319 -10.726
  823   2HB   HIS 109           HB1      HIS 109 -12.605   3.210 -11.565
  824    HD1  HIS 109           HD1      HIS 109 -14.105   4.767 -10.167
  825    HD2  HIS 109           HD2      HIS 109 -11.277   2.713  -7.896
  826    HE1  HIS 109           HE1      HIS 109 -14.108   5.839  -7.876
  827    H    GLY 110           HN       GLY 110 -12.604  -1.098 -11.102
  828   1HA   GLY 110           HA2      GLY 110 -12.306  -2.465 -12.968
  829   2HA   GLY 110           HA1      GLY 110 -13.577  -1.502 -13.723
  830    H    GLY 111           HN       GLY 111 -10.538  -0.142 -12.578
  831   1HA   GLY 111           HA2      GLY 111  -9.242  -0.157 -15.187
  832   2HA   GLY 111           HA1      GLY 111  -9.927   1.416 -14.781
  833    HA   PRO 112           HA       PRO 112  -5.709   0.835 -12.717
  834   1HB   PRO 112           HB2      PRO 112  -4.252   2.500 -14.370
  835   2HB   PRO 112           HB1      PRO 112  -4.378   0.748 -14.601
  836   1HG   PRO 112           HG2      PRO 112  -5.681   2.959 -16.119
  837   2HG   PRO 112           HG1      PRO 112  -5.269   1.322 -16.657
  838   1HD   PRO 112           HD2      PRO 112  -7.844   2.215 -15.928
  839   2HD   PRO 112           HD1      PRO 112  -7.343   0.521 -16.114
  840    H    PHE 113           HN       PHE 113  -7.099   2.116 -11.185
  841    HA   PHE 113           HA       PHE 113  -5.946   4.552 -10.422
  842   1HB   PHE 113           HB2      PHE 113  -7.827   6.164 -10.990
  843   2HB   PHE 113           HB1      PHE 113  -6.785   5.700 -12.320
  844    HD1  PHE 113           HD1      PHE 113  -9.040   2.988 -11.457
  845    HD2  PHE 113           HD2      PHE 113  -8.796   6.710 -13.597
  846    HE1  PHE 113           HE1      PHE 113 -11.024   2.357 -12.785
  847    HE2  PHE 113           HE2      PHE 113 -10.787   6.069 -14.925
  848    HZ   PHE 113           HZ       PHE 113 -11.909   3.893 -14.514
  849    H    CYS 114           HN       CYS 114  -7.321   5.794  -8.805
  850    HA   CYS 114           HA       CYS 114  -9.721   4.753  -7.708
  851   1HB   CYS 114           HB2      CYS 114  -9.052   3.433  -5.861
  852   2HB   CYS 114           HB1      CYS 114  -8.062   2.843  -7.186
  853    H    LEU 115           HN       LEU 115 -10.522   6.329  -6.201
  854    HA   LEU 115           HA       LEU 115 -10.571   8.393  -5.097
  855   1HB   LEU 115           HB2      LEU 115  -8.274   6.853  -4.065
  856   2HB   LEU 115           HB1      LEU 115  -8.185   8.583  -3.750
  857    HG   LEU 115           HG       LEU 115  -9.340   7.350  -1.923
  858   1HD1  LEU 115          HD13      LEU 115 -10.142   9.716  -3.183
  859   2HD1  LEU 115          HD12      LEU 115 -11.644   8.828  -2.928
  860   3HD1  LEU 115          HD11      LEU 115 -10.588   9.187  -1.562
  861   1HD2  LEU 115          HD23      LEU 115 -10.487   5.886  -3.973
  862   2HD2  LEU 115          HD22      LEU 115 -11.027   5.871  -2.294
  863   3HD2  LEU 115          HD21      LEU 115 -11.816   6.929  -3.463
  864    H    SER 116           HN       SER 116  -9.290   8.249  -7.836
  865    HA   SER 116           HA       SER 116  -7.499  10.637  -7.671
  866   1HB   SER 116           HB2      SER 116  -7.805   8.572  -9.870
  867   2HB   SER 116           HB1      SER 116  -6.739   9.972  -9.941
  868    HG   SER 116           HG       SER 116  -5.754   9.131  -8.002
  869    H    LEU 117           HN       LEU 117  -9.747   9.232 -10.075
  870    HA   LEU 117           HA       LEU 117 -10.426  11.591 -11.423
  871   1HB   LEU 117           HB2      LEU 117 -12.786  10.378 -11.689
  872   2HB   LEU 117           HB1      LEU 117 -11.354   9.793 -12.526
  873    HG   LEU 117           HG       LEU 117 -11.727   8.696  -9.799
  874   1HD1  LEU 117          HD11      LEU 117 -13.729   8.258 -12.015
  875   2HD1  LEU 117          HD13      LEU 117 -13.409   7.004 -10.816
  876   3HD1  LEU 117          HD12      LEU 117 -14.031   8.573 -10.305
  877   1HD2  LEU 117          HD23      LEU 117 -10.111   8.098 -11.844
  878   2HD2  LEU 117          HD22      LEU 117 -10.677   6.857 -10.725
  879   3HD2  LEU 117          HD21      LEU 117 -11.467   7.061 -12.289
  880    H    LEU 118           HN       LEU 118 -12.925  10.187  -9.280
  881    HA   LEU 118           HA       LEU 118 -14.303  12.583  -8.832
  882   1HB   LEU 118           HB2      LEU 118 -14.143  10.002  -7.310
  883   2HB   LEU 118           HB1      LEU 118 -15.014  11.370  -6.632
  884    HG   LEU 118           HG       LEU 118 -15.484  10.490  -9.475
  885   1HD1  LEU 118          HD12      LEU 118 -16.444   9.228  -6.931
  886   2HD1  LEU 118          HD11      LEU 118 -17.548   9.314  -8.303
  887   3HD1  LEU 118          HD13      LEU 118 -16.010   8.465  -8.461
  888   1HD2  LEU 118          HD22      LEU 118 -16.333  12.693  -8.357
  889   2HD2  LEU 118          HD21      LEU 118 -17.478  11.725  -9.286
  890   3HD2  LEU 118          HD23      LEU 118 -17.474  11.636  -7.524
  891    H    GLY 119           HN       GLY 119 -11.226  11.766  -7.415
  892   1HA   GLY 119           HA2      GLY 119 -11.613  13.732  -5.223
  893   2HA   GLY 119           HA1      GLY 119 -10.290  12.571  -5.327
  894    H    ALA 120           HN       ALA 120 -11.574  15.559  -6.713
  895    HA   ALA 120           HA       ALA 120  -8.835  16.536  -7.194
  896   1HB   ALA 120           HB2      ALA 120  -9.434  15.310  -9.284
  897   2HB   ALA 120           HB1      ALA 120 -10.836  16.365  -9.469
  898   3HB   ALA 120           HB3      ALA 120  -9.208  17.039  -9.553
  899    H    GLY 121           HN       GLY 121  -9.897  17.764  -5.354
  900   1HA   GLY 121           HA2      GLY 121 -12.034  19.630  -5.847
  901   2HA   GLY 121           HA1      GLY 121 -10.912  19.691  -4.490
  902    H    GLU 122           HN       GLU 122  -8.682  19.644  -6.710
  903    HA   GLU 122           HA       GLU 122  -8.856  22.568  -7.350
  904   1HB   GLU 122           HB2      GLU 122  -6.346  22.547  -7.226
  905   2HB   GLU 122           HB1      GLU 122  -7.134  22.217  -5.683
  906   1HG   GLU 122           HG2      GLU 122  -6.230  20.149  -5.560
  907   2HG   GLU 122           HG1      GLU 122  -6.707  19.765  -7.213
   
  No H/Q in entry =         907
  Start of MODEL           4
 Raw file had  930 H/Q atoms
  Start of MODEL    4
    1   1H    SER   1           HT3      SER   1 -10.909   4.309   7.699
    2   2H    SER   1           HT2      SER   1 -10.051   4.908   6.360
    3   3H    SER   1           HT1      SER   1 -10.438   5.939   7.655
    4    HA   SER   1           HA       SER   1 -11.930   6.412   5.871
    5   1HB   SER   1           HB2      SER   1 -11.636   4.185   4.762
    6   2HB   SER   1           HB1      SER   1 -12.653   3.470   6.008
    7    HG   SER   1           HG       SER   1 -13.397   5.596   4.273
    8    H    VAL   2           HN       VAL   2 -14.295   6.661   6.196
    9    HA   VAL   2           HA       VAL   2 -14.961   6.575   9.080
   10    HB   VAL   2           HB       VAL   2 -15.276   8.655   7.754
   11   1HG1  VAL   2          HG12      VAL   2 -16.228   7.010   5.779
   12   2HG1  VAL   2          HG11      VAL   2 -17.727   7.667   6.437
   13   3HG1  VAL   2          HG13      VAL   2 -16.478   8.754   5.828
   14   1HG2  VAL   2          HG21      VAL   2 -16.848   7.699   9.714
   15   2HG2  VAL   2          HG23      VAL   2 -17.155   9.253   8.937
   16   3HG2  VAL   2          HG22      VAL   2 -18.055   7.821   8.435
   17    H    GLY   3           HN       GLY   3 -14.977   4.012   7.506
   18   1HA   GLY   3           HA2      GLY   3 -16.763   2.363   8.428
   19   2HA   GLY   3           HA1      GLY   3 -17.884   3.350   7.488
   20    H    THR   4           HN       THR   4 -17.681   3.365   5.186
   21    HA   THR   4           HA       THR   4 -17.634   2.160   3.173
   22    HB   THR   4           HB       THR   4 -15.540   3.446   3.132
   23    HG1  THR   4           HG1      THR   4 -14.423   1.986   1.695
   24   1HG2  THR   4          HG23      THR   4 -14.423   0.979   4.480
   25   2HG2  THR   4          HG22      THR   4 -13.413   2.187   3.689
   26   3HG2  THR   4          HG21      THR   4 -14.397   2.637   5.081
   27    H    SER   5           HN       SER   5 -18.131   0.444   5.516
   28    HA   SER   5           HA       SER   5 -18.339  -1.838   6.002
   29   1HB   SER   5           HB2      SER   5 -17.478  -2.287   3.136
   30   2HB   SER   5           HB1      SER   5 -18.505  -3.319   4.127
   31    HG   SER   5           HG       SER   5 -19.063  -0.731   3.106
   32    H    CYS   6           HN       CYS   6 -16.829  -4.042   4.970
   33    HA   CYS   6           HA       CYS   6 -14.799  -5.170   5.250
   34   1HB   CYS   6           HB2      CYS   6 -13.487  -2.436   5.322
   35   2HB   CYS   6           HB1      CYS   6 -12.720  -3.980   4.960
   36    H    ILE   7           HN       ILE   7 -14.057  -6.069   7.100
   37    HA   ILE   7           HA       ILE   7 -14.166  -4.436   9.602
   38    HB   ILE   7           HB       ILE   7 -13.902  -7.034  10.487
   39   1HG1  ILE   7          HG12      ILE   7 -14.272  -7.824   8.089
   40   2HG1  ILE   7          HG11      ILE   7 -15.368  -8.499   9.288
   41   1HG2  ILE   7          HG22      ILE   7 -16.078  -5.060  10.250
   42   2HG2  ILE   7          HG21      ILE   7 -16.602  -6.715  10.558
   43   3HG2  ILE   7          HG23      ILE   7 -15.479  -5.926  11.664
   44   1HD1  ILE   7          HD11      ILE   7 -16.350  -6.000   8.080
   45   2HD1  ILE   7          HD13      ILE   7 -16.149  -7.313   6.921
   46   3HD1  ILE   7          HD12      ILE   7 -17.187  -7.532   8.330
   47    HA   PRO   8           HA       PRO   8  -9.825  -4.934  10.066
   48   1HB   PRO   8           HB2      PRO   8  -9.558  -5.060  12.802
   49   2HB   PRO   8           HB1      PRO   8  -9.931  -3.569  11.921
   50   1HG   PRO   8           HG2      PRO   8 -11.735  -5.270  13.575
   51   2HG   PRO   8           HG1      PRO   8 -11.845  -3.540  13.212
   52   1HD   PRO   8           HD2      PRO   8 -13.361  -5.596  11.991
   53   2HD   PRO   8           HD1      PRO   8 -13.230  -3.917  11.427
   54    H    GLY   9           HN       GLY   9  -8.146  -6.564  10.537
   55   1HA   GLY   9           HA2      GLY   9  -7.332  -8.740  10.778
   56   2HA   GLY   9           HA1      GLY   9  -8.513  -8.921  12.072
   57    H    MET  10           HN       MET  10  -9.631  -8.092   8.878
   58    HA   MET  10           HA       MET  10 -10.463 -10.908   8.338
   59   1HB   MET  10           HB2      MET  10 -12.249  -8.459   8.359
   60   2HB   MET  10           HB1      MET  10 -12.720 -10.015   7.676
   61   1HG   MET  10           HG2      MET  10 -11.710  -9.777  10.511
   62   2HG   MET  10           HG1      MET  10 -13.415  -9.557  10.114
   63   1HE   MET  10           HE1      MET  10 -14.934 -11.114  10.322
   64   2HE   MET  10           HE3      MET  10 -14.795 -11.542   8.612
   65   3HE   MET  10           HE2      MET  10 -14.898 -12.806   9.833
   66    H    ALA  11           HN       ALA  11  -8.957 -11.005   6.459
   67    HA   ALA  11           HA       ALA  11  -8.603 -10.854   4.135
   68   1HB   ALA  11           HB2      ALA  11 -11.056  -9.624   4.219
   69   2HB   ALA  11           HB1      ALA  11 -10.022  -8.306   3.667
   70   3HB   ALA  11           HB3      ALA  11 -10.086  -9.816   2.759
   71    H    ILE  12           HN       ILE  12  -8.871  -7.624   5.662
   72    HA   ILE  12           HA       ILE  12  -6.151  -6.977   4.659
   73    HB   ILE  12           HB       ILE  12  -8.308  -5.168   5.798
   74   1HG1  ILE  12          HG12      ILE  12  -7.376  -4.956   2.981
   75   2HG1  ILE  12          HG11      ILE  12  -8.371  -6.360   3.367
   76   1HG2  ILE  12          HG22      ILE  12  -5.466  -4.766   5.036
   77   2HG2  ILE  12          HG21      ILE  12  -6.596  -3.542   4.459
   78   3HG2  ILE  12          HG23      ILE  12  -6.460  -3.873   6.186
   79   1HD1  ILE  12          HD13      ILE  12  -9.105  -3.473   3.943
   80   2HD1  ILE  12          HD12      ILE  12  -9.770  -4.459   2.641
   81   3HD1  ILE  12          HD11      ILE  12 -10.098  -4.880   4.322
   82    HA   PRO  13           HA       PRO  13  -5.523  -7.870   9.095
   83   1HB   PRO  13           HB2      PRO  13  -2.902  -8.665   8.910
   84   2HB   PRO  13           HB1      PRO  13  -4.284  -9.727   8.609
   85   1HG   PRO  13           HG2      PRO  13  -2.373  -8.574   6.668
   86   2HG   PRO  13           HG1      PRO  13  -3.454  -9.963   6.479
   87   1HD   PRO  13           HD2      PRO  13  -3.820  -7.299   5.481
   88   2HD   PRO  13           HD1      PRO  13  -4.948  -8.669   5.324
   89    H    HIS  14           HN       HIS  14  -3.793  -7.167  10.699
   90    HA   HIS  14           HA       HIS  14  -3.383  -4.330  10.486
   91   1HB   HIS  14           HB2      HIS  14  -2.269  -6.273  12.547
   92   2HB   HIS  14           HB1      HIS  14  -2.555  -4.559  12.743
   93    HD1  HIS  14           HD1      HIS  14  -4.965  -3.776  13.273
   94    HD2  HIS  14           HD2      HIS  14  -4.670  -7.868  12.533
   95    HE1  HIS  14           HE1      HIS  14  -7.205  -4.791  13.934
   96    H    ASN  15           HN       ASN  15  -1.305  -3.242  10.255
   97    HA   ASN  15           HA       ASN  15   0.864  -2.943   9.469
   98   1HB   ASN  15           HB2      ASN  15   0.945  -5.097  11.357
   99   2HB   ASN  15           HB1      ASN  15   2.041  -5.500  10.038
  100   1HD2  ASN  15          HD22      ASN  15   4.472  -3.432  11.538
  101   2HD2  ASN  15          HD21      ASN  15   4.082  -4.960  10.908
  102    HA   PRO  16           HA       PRO  16  -0.118  -5.723   5.788
  103   1HB   PRO  16           HB2      PRO  16  -1.444  -3.906   4.228
  104   2HB   PRO  16           HB1      PRO  16  -2.267  -4.969   5.381
  105   1HG   PRO  16           HG2      PRO  16  -1.684  -2.048   5.605
  106   2HG   PRO  16           HG1      PRO  16  -3.008  -2.987   6.315
  107   1HD   PRO  16           HD2      PRO  16  -0.688  -2.127   7.692
  108   2HD   PRO  16           HD1      PRO  16  -1.845  -3.361   8.230
  109    H    LEU  17           HN       LEU  17   0.644  -5.377   3.547
  110    HA   LEU  17           HA       LEU  17   2.326  -4.772   2.046
  111   1HB   LEU  17           HB2      LEU  17   1.644  -1.983   3.011
  112   2HB   LEU  17           HB1      LEU  17   2.306  -2.431   1.440
  113    HG   LEU  17           HG       LEU  17  -0.376  -3.381   2.484
  114   1HD1  LEU  17          HD11      LEU  17   0.456  -0.971   0.923
  115   2HD1  LEU  17          HD13      LEU  17  -1.045  -1.777   0.463
  116   3HD1  LEU  17          HD12      LEU  17  -0.846  -1.152   2.100
  117   1HD2  LEU  17          HD22      LEU  17   0.749  -4.844   0.812
  118   2HD2  LEU  17          HD21      LEU  17  -0.713  -4.101   0.162
  119   3HD2  LEU  17          HD23      LEU  17   0.871  -3.467  -0.284
  120    H    ASP  18           HN       ASP  18   3.481  -5.580   4.462
  121    HA   ASP  18           HA       ASP  18   5.403  -3.665   5.486
  122   1HB   ASP  18           HB2      ASP  18   6.573  -5.704   6.396
  123   2HB   ASP  18           HB1      ASP  18   4.861  -5.627   6.822
  124    H    SER  19           HN       SER  19   5.470  -6.160   3.017
  125    HA   SER  19           HA       SER  19   8.227  -5.939   2.261
  126   1HB   SER  19           HB2      SER  19   6.269  -7.651   1.578
  127   2HB   SER  19           HB1      SER  19   6.182  -6.577   0.184
  128    HG   SER  19           HG       SER  19   7.999  -7.380  -0.494
  129    H    CYS  20           HN       CYS  20   5.384  -4.037   1.564
  130    HA   CYS  20           HA       CYS  20   6.462  -2.644  -0.733
  131   1HB   CYS  20           HB2      CYS  20   4.181  -1.882   1.086
  132   2HB   CYS  20           HB1      CYS  20   4.498  -1.231  -0.523
  133    H    ARG  21           HN       ARG  21   6.257  -2.025   2.735
  134    HA   ARG  21           HA       ARG  21   7.267   0.642   2.691
  135   1HB   ARG  21           HB2      ARG  21   6.563   0.391   4.820
  136   2HB   ARG  21           HB1      ARG  21   6.547  -1.355   4.673
  137   1HG   ARG  21           HG2      ARG  21   8.022  -0.812   6.491
  138   2HG   ARG  21           HG1      ARG  21   9.055  -1.300   5.152
  139   1HD   ARG  21           HD2      ARG  21   9.239   1.172   4.554
  140   2HD   ARG  21           HD1      ARG  21   8.458   1.512   6.097
  141    HE   ARG  21           HE       ARG  21  11.185   0.431   5.741
  142   1HH1  ARG  21          HH21      ARG  21  10.521  -1.140   7.946
  143   2HH1  ARG  21          HH22      ARG  21  10.573  -0.091   9.323
  144   1HH2  ARG  21          HH11      ARG  21  10.389   2.818   7.445
  145   2HH2  ARG  21          HH12      ARG  21  10.498   2.151   9.039
  146    H    TRP  22           HN       TRP  22   8.942  -2.500   3.194
  147    HA   TRP  22           HA       TRP  22  11.547  -1.288   3.246
  148   1HB   TRP  22           HB2      TRP  22  10.704  -4.157   2.986
  149   2HB   TRP  22           HB1      TRP  22  12.380  -3.669   2.797
  150    HD1  TRP  22           HD1      TRP  22  10.242  -4.811   5.393
  151    HE1  TRP  22           HE1      TRP  22  11.032  -4.005   7.728
  152    HE3  TRP  22           HE3      TRP  22  13.420  -1.297   3.913
  153    HZ2  TRP  22           HZ2      TRP  22  12.864  -2.016   8.784
  154    HZ3  TRP  22           HZ3      TRP  22  14.724   0.098   5.537
  155    HH2  TRP  22           HH2      TRP  22  14.443  -0.276   7.977
  156    H    TYR  23           HN       TYR  23   9.453  -2.376   0.682
  157    HA   TYR  23           HA       TYR  23  11.473  -2.571  -1.370
  158   1HB   TYR  23           HB2      TYR  23   9.194  -3.551  -1.609
  159   2HB   TYR  23           HB1      TYR  23   8.523  -1.918  -1.733
  160    HD1  TYR  23           HD1      TYR  23   9.759  -0.399  -3.605
  161    HD2  TYR  23           HD2      TYR  23   9.727  -4.669  -3.523
  162    HE1  TYR  23           HE1      TYR  23  10.342  -0.438  -6.006
  163    HE2  TYR  23           HE2      TYR  23  10.340  -4.725  -5.916
  164    HH   TYR  23           HH       TYR  23  11.448  -3.194  -7.578
  165    H    VAL  24           HN       VAL  24   9.654   0.087   0.089
  166    HA   VAL  24           HA       VAL  24  10.450   2.015  -1.955
  167    HB   VAL  24           HB       VAL  24   9.570   2.568   0.894
  168   1HG1  VAL  24          HG11      VAL  24  10.822   4.409  -0.208
  169   2HG1  VAL  24          HG13      VAL  24   9.682   4.363  -1.552
  170   3HG1  VAL  24          HG12      VAL  24   9.132   4.839   0.056
  171   1HG2  VAL  24          HG22      VAL  24   8.095   1.969  -1.624
  172   2HG2  VAL  24          HG21      VAL  24   7.616   1.680   0.050
  173   3HG2  VAL  24          HG23      VAL  24   7.470   3.295  -0.643
  174    H    SER  25           HN       SER  25  11.621   1.131   1.322
  175    HA   SER  25           HA       SER  25  13.659   3.088   1.482
  176   1HB   SER  25           HB2      SER  25  14.401   1.991   3.350
  177   2HB   SER  25           HB1      SER  25  12.839   1.202   3.190
  178    HG   SER  25           HG       SER  25  13.882  -0.512   2.143
  179    H    THR  26           HN       THR  26  13.762  -0.113  -0.056
  180    HA   THR  26           HA       THR  26  16.568   0.040  -0.797
  181    HB   THR  26           HB       THR  26  14.291  -1.832  -1.481
  182    HG1  THR  26           HG1      THR  26  15.619  -3.233  -0.243
  183   1HG2  THR  26          HG23      THR  26  16.988  -1.657  -2.743
  184   2HG2  THR  26          HG22      THR  26  16.428  -3.264  -2.283
  185   3HG2  THR  26          HG21      THR  26  15.476  -2.287  -3.400
  186    H    ARG  27           HN       ARG  27  13.589   0.176  -2.759
  187    HA   ARG  27           HA       ARG  27  14.857   0.706  -5.240
  188   1HB   ARG  27           HB2      ARG  27  12.479  -0.018  -4.955
  189   2HB   ARG  27           HB1      ARG  27  12.095   1.604  -4.382
  190   1HG   ARG  27           HG2      ARG  27  11.574   1.456  -6.760
  191   2HG   ARG  27           HG1      ARG  27  12.956   2.528  -6.535
  192   1HD   ARG  27           HD2      ARG  27  14.457   1.010  -7.443
  193   2HD   ARG  27           HD1      ARG  27  13.478  -0.386  -6.992
  194    HE   ARG  27           HE       ARG  27  11.872   0.620  -8.851
  195   1HH1  ARG  27          HH11      ARG  27  14.809  -0.857  -9.061
  196   2HH1  ARG  27          HH12      ARG  27  15.220  -0.281 -10.641
  197   1HH2  ARG  27          HH21      ARG  27  12.607   1.996 -10.781
  198   2HH2  ARG  27          HH22      ARG  27  13.974   1.336 -11.616
  199    H    THR  28           HN       THR  28  14.126   2.814  -2.563
  200    HA   THR  28           HA       THR  28  14.563   5.231  -4.200
  201    HB   THR  28           HB       THR  28  13.744   6.482  -2.283
  202    HG1  THR  28           HG1      THR  28  13.748   5.700  -0.343
  203   1HG2  THR  28          HG21      THR  28  12.215   3.970  -2.935
  204   2HG2  THR  28          HG23      THR  28  11.553   5.237  -1.904
  205   3HG2  THR  28          HG22      THR  28  11.975   5.594  -3.576
  206    H    CYS  29           HN       CYS  29  15.879   4.181  -0.981
  207    HA   CYS  29           HA       CYS  29  18.324   5.756  -1.594
  208   1HB   CYS  29           HB2      CYS  29  17.746   4.462   1.057
  209   2HB   CYS  29           HB1      CYS  29  18.722   5.888   0.715
  210    H    GLY  30           HN       GLY  30  17.502   2.778  -2.303
  211   1HA   GLY  30           HA2      GLY  30  18.670   0.748  -2.618
  212   2HA   GLY  30           HA1      GLY  30  20.142   1.701  -2.437
  213    H    VAL  31           HN       VAL  31  17.870   1.842   0.188
  214    HA   VAL  31           HA       VAL  31  19.700   0.185   1.867
  215    HB   VAL  31           HB       VAL  31  17.662   2.280   2.700
  216   1HG1  VAL  31          HG13      VAL  31  19.617   0.544   4.209
  217   2HG1  VAL  31          HG12      VAL  31  19.078   2.090   4.866
  218   3HG1  VAL  31          HG11      VAL  31  17.906   0.814   4.538
  219   1HG2  VAL  31          HG23      VAL  31  20.623   2.349   2.175
  220   2HG2  VAL  31          HG22      VAL  31  19.386   3.515   1.706
  221   3HG2  VAL  31          HG21      VAL  31  19.921   3.424   3.384
  222    H    GLY  32           HN       GLY  32  18.656  -1.209   3.498
  223   1HA   GLY  32           HA2      GLY  32  16.268  -2.001   4.199
  224   2HA   GLY  32           HA1      GLY  32  16.119  -2.318   2.465
  225    HA   PRO  33           HA       PRO  33  18.232  -5.980   4.667
  226   1HB   PRO  33           HB2      PRO  33  16.393  -7.937   3.985
  227   2HB   PRO  33           HB1      PRO  33  16.392  -7.063   5.525
  228   1HG   PRO  33           HG2      PRO  33  14.649  -6.663   3.122
  229   2HG   PRO  33           HG1      PRO  33  14.258  -6.464   4.839
  230   1HD   PRO  33           HD2      PRO  33  14.755  -4.363   3.147
  231   2HD   PRO  33           HD1      PRO  33  15.019  -4.296   4.903
  232    H    ARG  34           HN       ARG  34  18.959  -8.064   3.390
  233    HA   ARG  34           HA       ARG  34  19.528  -7.189   0.626
  234   1HB   ARG  34           HB2      ARG  34  20.792  -9.012   2.598
  235   2HB   ARG  34           HB1      ARG  34  20.932  -9.502   0.910
  236   1HG   ARG  34           HG2      ARG  34  21.699  -7.112   0.423
  237   2HG   ARG  34           HG1      ARG  34  21.847  -6.908   2.168
  238   1HD   ARG  34           HD2      ARG  34  23.291  -9.038   2.125
  239   2HD   ARG  34           HD1      ARG  34  23.365  -8.809   0.378
  240    HE   ARG  34           HE       ARG  34  24.113  -6.343   1.358
  241   1HH1  ARG  34          HH21      ARG  34  25.227  -7.258   3.800
  242   2HH1  ARG  34          HH22      ARG  34  26.790  -7.878   3.384
  243   1HH2  ARG  34          HH11      ARG  34  26.072  -8.153   0.003
  244   2HH2  ARG  34          HH12      ARG  34  27.268  -8.385   1.233
  245    H    LEU  35           HN       LEU  35  17.255  -7.581   0.047
  246    HA   LEU  35           HA       LEU  35  16.778 -10.428  -0.738
  247   1HB   LEU  35           HB2      LEU  35  15.192  -8.912   0.982
  248   2HB   LEU  35           HB1      LEU  35  14.376  -8.738  -0.570
  249    HG   LEU  35           HG       LEU  35  13.515 -10.694   0.657
  250   1HD1  LEU  35          HD12      LEU  35  14.096 -10.616  -1.955
  251   2HD1  LEU  35          HD11      LEU  35  15.148 -11.956  -1.497
  252   3HD1  LEU  35          HD13      LEU  35  13.412 -12.054  -1.196
  253   1HD2  LEU  35          HD22      LEU  35  15.892 -11.033   1.744
  254   2HD2  LEU  35          HD21      LEU  35  14.858 -12.431   1.450
  255   3HD2  LEU  35          HD23      LEU  35  16.174 -12.058   0.337
  256    H    ALA  36           HN       ALA  36  16.364 -10.705  -2.917
  257    HA   ALA  36           HA       ALA  36  17.094  -8.792  -4.816
  258   1HB   ALA  36           HB2      ALA  36  15.619 -11.354  -4.870
  259   2HB   ALA  36           HB1      ALA  36  15.358 -10.308  -6.266
  260   3HB   ALA  36           HB3      ALA  36  16.991 -10.822  -5.841
  261    H    THR  37           HN       THR  37  15.849  -7.377  -6.241
  262    HA   THR  37           HA       THR  37  13.644  -6.024  -4.953
  263    HB   THR  37           HB       THR  37  14.462  -5.649  -7.831
  264    HG1  THR  37           HG1      THR  37  16.318  -4.882  -7.222
  265   1HG2  THR  37          HG21      THR  37  12.638  -4.357  -6.211
  266   2HG2  THR  37          HG23      THR  37  14.074  -3.342  -6.063
  267   3HG2  THR  37          HG22      THR  37  13.386  -3.670  -7.652
  268    H    GLN  38           HN       GLN  38  13.852  -8.471  -7.481
  269    HA   GLN  38           HA       GLN  38  11.150  -8.094  -8.481
  270   1HB   GLN  38           HB2      GLN  38  13.249  -9.394  -9.498
  271   2HB   GLN  38           HB1      GLN  38  12.497 -10.758  -8.671
  272   1HG   GLN  38           HG2      GLN  38  10.796  -8.952 -10.361
  273   2HG   GLN  38           HG1      GLN  38  11.792 -10.180 -11.144
  274   1HE2  GLN  38          HE22      GLN  38   9.944 -12.923  -9.682
  275   2HE2  GLN  38          HE21      GLN  38  11.509 -12.485 -10.173
  276    H    GLU  39           HN       GLU  39  12.611  -9.971  -5.918
  277    HA   GLU  39           HA       GLU  39  10.293 -11.630  -5.367
  278   1HB   GLU  39           HB2      GLU  39  12.691 -10.971  -3.626
  279   2HB   GLU  39           HB1      GLU  39  11.534 -12.270  -3.334
  280   1HG   GLU  39           HG2      GLU  39  13.039 -12.086  -5.941
  281   2HG   GLU  39           HG1      GLU  39  13.745 -12.883  -4.535
  282    H    MET  40           HN       MET  40  11.529  -8.521  -4.241
  283    HA   MET  40           HA       MET  40   9.765  -8.236  -1.979
  284   1HB   MET  40           HB2      MET  40  11.957  -7.001  -2.612
  285   2HB   MET  40           HB1      MET  40  10.938  -5.987  -3.598
  286   1HG   MET  40           HG2      MET  40  10.995  -4.833  -1.540
  287   2HG   MET  40           HG1      MET  40   9.481  -5.732  -1.455
  288   1HE   MET  40           HE3      MET  40  11.062  -4.475   0.974
  289   2HE   MET  40           HE2      MET  40  12.243  -5.501   1.785
  290   3HE   MET  40           HE1      MET  40  12.629  -4.795   0.217
  291    H    LYS  41           HN       LYS  41   9.803  -6.858  -5.245
  292    HA   LYS  41           HA       LYS  41   7.258  -5.576  -5.202
  293   1HB   LYS  41           HB2      LYS  41   8.916  -5.259  -7.040
  294   2HB   LYS  41           HB1      LYS  41   8.591  -6.896  -7.598
  295   1HG   LYS  41           HG2      LYS  41   6.220  -6.293  -7.960
  296   2HG   LYS  41           HG1      LYS  41   6.562  -4.648  -7.422
  297   1HD   LYS  41           HD2      LYS  41   7.946  -4.202  -9.294
  298   2HD   LYS  41           HD1      LYS  41   8.089  -5.911  -9.699
  299   1HE   LYS  41           HE2      LYS  41   6.443  -5.459 -11.205
  300   2HE   LYS  41           HE1      LYS  41   5.374  -5.570  -9.806
  301   1HZ   LYS  41           HZ3      LYS  41   6.679  -3.058 -10.692
  302   2HZ   LYS  41           HZ2      LYS  41   5.104  -3.512 -11.136
  303   3HZ   LYS  41           HZ1      LYS  41   5.481  -3.226  -9.504
  304    H    ALA  42           HN       ALA  42   8.149  -8.928  -5.918
  305    HA   ALA  42           HA       ALA  42   5.584  -9.828  -6.832
  306   1HB   ALA  42           HB2      ALA  42   7.841 -11.033  -7.027
  307   2HB   ALA  42           HB1      ALA  42   7.597 -11.532  -5.354
  308   3HB   ALA  42           HB3      ALA  42   6.454 -12.034  -6.599
  309    H    ARG  43           HN       ARG  43   7.068  -9.626  -3.624
  310    HA   ARG  43           HA       ARG  43   5.013 -11.021  -2.196
  311   1HB   ARG  43           HB2      ARG  43   7.370  -9.410  -1.543
  312   2HB   ARG  43           HB1      ARG  43   6.053  -9.168  -0.395
  313   1HG   ARG  43           HG2      ARG  43   7.437 -11.034   0.357
  314   2HG   ARG  43           HG1      ARG  43   5.862 -11.648  -0.150
  315   1HD   ARG  43           HD2      ARG  43   6.784 -12.274  -2.335
  316   2HD   ARG  43           HD1      ARG  43   8.348 -11.613  -1.874
  317    HE   ARG  43           HE       ARG  43   7.794 -13.487   0.101
  318   1HH1  ARG  43          HH11      ARG  43   9.924 -13.621  -2.147
  319   2HH1  ARG  43          HH12      ARG  43   9.572 -15.181  -2.813
  320   1HH2  ARG  43          HH21      ARG  43   6.478 -15.436  -1.271
  321   2HH2  ARG  43          HH22      ARG  43   7.621 -16.208  -2.317
  322    H    CYS  44           HN       CYS  44   5.497  -7.581  -2.958
  323    HA   CYS  44           HA       CYS  44   3.240  -6.584  -1.504
  324   1HB   CYS  44           HB2      CYS  44   4.825  -5.507  -3.807
  325   2HB   CYS  44           HB1      CYS  44   3.347  -4.707  -3.255
  326    H    CYS  45           HN       CYS  45   3.568  -7.875  -4.809
  327    HA   CYS  45           HA       CYS  45   0.888  -7.071  -5.610
  328   1HB   CYS  45           HB2      CYS  45   2.782  -9.121  -6.809
  329   2HB   CYS  45           HB1      CYS  45   1.275  -8.601  -7.542
  330    H    ARG  46           HN       ARG  46   2.300  -9.864  -4.043
  331    HA   ARG  46           HA       ARG  46   0.000 -11.601  -4.375
  332   1HB   ARG  46           HB2      ARG  46   2.474 -12.171  -3.746
  333   2HB   ARG  46           HB1      ARG  46   1.959 -11.843  -2.106
  334   1HG   ARG  46           HG2      ARG  46   0.115 -13.468  -2.348
  335   2HG   ARG  46           HG1      ARG  46   0.675 -13.846  -3.978
  336   1HD   ARG  46           HD2      ARG  46   2.983 -14.125  -2.485
  337   2HD   ARG  46           HD1      ARG  46   1.742 -14.722  -1.382
  338    HE   ARG  46           HE       ARG  46   1.499 -15.812  -4.079
  339   1HH1  ARG  46          HH21      ARG  46   4.108 -16.052  -2.094
  340   2HH1  ARG  46          HH22      ARG  46   3.944 -17.738  -1.733
  341   1HH2  ARG  46          HH11      ARG  46   0.788 -18.004  -3.143
  342   2HH2  ARG  46          HH12      ARG  46   2.064 -18.844  -2.328
  343    H    GLN  47           HN       GLN  47   1.071  -9.199  -2.025
  344    HA   GLN  47           HA       GLN  47  -1.004  -9.868  -0.058
  345   1HB   GLN  47           HB2      GLN  47   0.694  -7.365  -0.268
  346   2HB   GLN  47           HB1      GLN  47  -0.214  -7.902   1.145
  347   1HG   GLN  47           HG2      GLN  47   1.394 -10.106   0.392
  348   2HG   GLN  47           HG1      GLN  47   2.437  -8.689   0.280
  349   1HE2  GLN  47          HE22      GLN  47   2.898  -8.691   3.758
  350   2HE2  GLN  47          HE21      GLN  47   3.566  -8.484   2.211
  351    H    LEU  48           HN       LEU  48  -0.595  -7.511  -2.637
  352    HA   LEU  48           HA       LEU  48  -2.897  -5.904  -2.030
  353   1HB   LEU  48           HB2      LEU  48  -0.842  -5.373  -3.543
  354   2HB   LEU  48           HB1      LEU  48  -1.742  -6.223  -4.797
  355    HG   LEU  48           HG       LEU  48  -3.341  -4.253  -3.287
  356   1HD1  LEU  48          HD11      LEU  48  -1.166  -3.074  -3.377
  357   2HD1  LEU  48          HD13      LEU  48  -1.114  -3.323  -5.123
  358   3HD1  LEU  48          HD12      LEU  48  -2.366  -2.303  -4.414
  359   1HD2  LEU  48          HD23      LEU  48  -3.606  -5.635  -5.620
  360   2HD2  LEU  48          HD22      LEU  48  -4.468  -4.138  -5.272
  361   3HD2  LEU  48          HD21      LEU  48  -2.992  -4.099  -6.228
  362    H    GLU  49           HN       GLU  49  -2.329  -8.747  -4.072
  363    HA   GLU  49           HA       GLU  49  -5.028  -8.748  -5.187
  364   1HB   GLU  49           HB2      GLU  49  -2.951  -9.835  -6.243
  365   2HB   GLU  49           HB1      GLU  49  -3.136 -11.117  -5.045
  366   1HG   GLU  49           HG2      GLU  49  -5.640 -11.119  -5.902
  367   2HG   GLU  49           HG1      GLU  49  -4.922 -10.400  -7.342
  368    H    ALA  50           HN       ALA  50  -3.333 -10.449  -2.545
  369    HA   ALA  50           HA       ALA  50  -5.390 -12.226  -1.706
  370   1HB   ALA  50           HB2      ALA  50  -2.898 -11.409  -0.692
  371   2HB   ALA  50           HB1      ALA  50  -4.048 -10.969   0.567
  372   3HB   ALA  50           HB3      ALA  50  -3.952 -12.636   0.003
  373    H    ILE  51           HN       ILE  51  -4.829  -8.823  -1.137
  374    HA   ILE  51           HA       ILE  51  -7.181  -8.389   0.538
  375    HB   ILE  51           HB       ILE  51  -5.320  -6.455  -0.892
  376   1HG1  ILE  51          HG12      ILE  51  -5.423  -7.038   2.067
  377   2HG1  ILE  51          HG11      ILE  51  -4.456  -8.041   0.985
  378   1HG2  ILE  51          HG22      ILE  51  -7.390  -5.983   1.279
  379   2HG2  ILE  51          HG21      ILE  51  -6.276  -4.771   0.647
  380   3HG2  ILE  51          HG23      ILE  51  -7.521  -5.455  -0.398
  381   1HD1  ILE  51          HD12      ILE  51  -3.276  -6.013   0.184
  382   2HD1  ILE  51          HD11      ILE  51  -4.215  -5.035   1.312
  383   3HD1  ILE  51          HD13      ILE  51  -3.079  -6.237   1.923
  384    HA   PRO  52           HA       PRO  52  -9.483  -8.682  -3.371
  385   1HB   PRO  52           HB2      PRO  52 -11.989  -8.335  -2.251
  386   2HB   PRO  52           HB1      PRO  52 -11.140  -9.887  -2.366
  387   1HG   PRO  52           HG2      PRO  52 -11.424  -8.062   0.003
  388   2HG   PRO  52           HG1      PRO  52 -11.381  -9.834  -0.052
  389   1HD   PRO  52           HD2      PRO  52  -9.213  -8.312   0.701
  390   2HD   PRO  52           HD1      PRO  52  -9.062  -9.910  -0.059
  391    H    ALA  53           HN       ALA  53 -10.549  -7.190  -4.730
  392    HA   ALA  53           HA       ALA  53  -9.778  -4.562  -4.801
  393   1HB   ALA  53           HB1      ALA  53 -11.365  -6.087  -6.362
  394   2HB   ALA  53           HB3      ALA  53 -12.567  -4.980  -5.699
  395   3HB   ALA  53           HB2      ALA  53 -11.176  -4.348  -6.579
  396    H    TYR  54           HN       TYR  54 -12.410  -5.830  -2.835
  397    HA   TYR  54           HA       TYR  54 -13.630  -3.305  -2.158
  398   1HB   TYR  54           HB2      TYR  54 -13.641  -6.075  -1.002
  399   2HB   TYR  54           HB1      TYR  54 -14.242  -4.750  -0.008
  400    HD1  TYR  54           HD1      TYR  54 -16.239  -3.484  -0.659
  401    HD2  TYR  54           HD2      TYR  54 -14.790  -6.747  -3.049
  402    HE1  TYR  54           HE1      TYR  54 -18.393  -3.542  -1.887
  403    HE2  TYR  54           HE2      TYR  54 -16.943  -6.802  -4.277
  404    HH   TYR  54           HH       TYR  54 -19.712  -5.279  -3.197
  405    H    CYS  55           HN       CYS  55 -12.698  -1.709  -0.974
  406    HA   CYS  55           HA       CYS  55 -11.316  -0.584   0.557
  407   1HB   CYS  55           HB2      CYS  55 -11.487  -3.314   1.858
  408   2HB   CYS  55           HB1      CYS  55 -10.620  -1.965   2.585
  409    H    ARG  56           HN       ARG  56 -10.135  -2.503  -1.745
  410    HA   ARG  56           HA       ARG  56  -7.643  -3.536  -1.028
  411   1HB   ARG  56           HB2      ARG  56  -8.593  -3.799  -3.269
  412   2HB   ARG  56           HB1      ARG  56  -8.416  -2.078  -3.583
  413   1HG   ARG  56           HG2      ARG  56  -6.461  -2.763  -4.570
  414   2HG   ARG  56           HG1      ARG  56  -5.855  -2.685  -2.922
  415   1HD   ARG  56           HD2      ARG  56  -5.201  -4.830  -3.600
  416   2HD   ARG  56           HD1      ARG  56  -6.689  -5.130  -2.723
  417    HE   ARG  56           HE       ARG  56  -7.299  -6.206  -4.744
  418   1HH1  ARG  56          HH21      ARG  56  -8.183  -3.444  -5.717
  419   2HH1  ARG  56          HH22      ARG  56  -7.401  -3.378  -7.262
  420   1HH2  ARG  56          HH11      ARG  56  -5.274  -6.025  -6.605
  421   2HH2  ARG  56          HH12      ARG  56  -5.764  -4.837  -7.764
  422    H    CYS  57           HN       CYS  57  -7.343  -0.563  -2.974
  423    HA   CYS  57           HA       CYS  57  -4.993   0.444  -2.109
  424   1HB   CYS  57           HB2      CYS  57  -7.532   1.956  -2.673
  425   2HB   CYS  57           HB1      CYS  57  -6.015   2.797  -2.336
  426    H    GLU  58           HN       GLU  58  -7.880   0.668   0.037
  427    HA   GLU  58           HA       GLU  58  -7.187   2.491   1.950
  428   1HB   GLU  58           HB2      GLU  58  -9.006   0.500   1.838
  429   2HB   GLU  58           HB1      GLU  58  -7.910  -0.173   3.045
  430   1HG   GLU  58           HG2      GLU  58  -9.191   1.089   4.468
  431   2HG   GLU  58           HG1      GLU  58  -8.075   2.361   3.967
  432    H    ALA  59           HN       ALA  59  -5.886  -0.885   1.974
  433    HA   ALA  59           HA       ALA  59  -4.308  -0.935   4.203
  434   1HB   ALA  59           HB2      ALA  59  -4.496  -2.546   2.073
  435   2HB   ALA  59           HB1      ALA  59  -2.917  -1.832   1.742
  436   3HB   ALA  59           HB3      ALA  59  -3.195  -2.695   3.255
  437    H    VAL  60           HN       VAL  60  -3.237   0.549   1.152
  438    HA   VAL  60           HA       VAL  60  -0.658   1.389   2.008
  439    HB   VAL  60           HB       VAL  60  -2.477   2.884   0.096
  440   1HG1  VAL  60          HG13      VAL  60  -0.158   3.774   1.013
  441   2HG1  VAL  60          HG12      VAL  60   0.500   2.623  -0.150
  442   3HG1  VAL  60          HG11      VAL  60  -0.556   3.924  -0.700
  443   1HG2  VAL  60          HG21      VAL  60  -0.946   0.327  -0.154
  444   2HG2  VAL  60          HG23      VAL  60  -2.480   0.789  -0.891
  445   3HG2  VAL  60          HG22      VAL  60  -0.963   1.417  -1.539
  446    H    ARG  61           HN       ARG  61  -3.769   3.128   2.033
  447    HA   ARG  61           HA       ARG  61  -2.895   5.528   3.291
  448   1HB   ARG  61           HB2      ARG  61  -5.491   4.121   2.925
  449   2HB   ARG  61           HB1      ARG  61  -5.429   5.326   4.210
  450   1HG   ARG  61           HG2      ARG  61  -4.195   6.141   1.639
  451   2HG   ARG  61           HG1      ARG  61  -5.946   5.937   1.611
  452   1HD   ARG  61           HD2      ARG  61  -5.559   7.308   3.975
  453   2HD   ARG  61           HD1      ARG  61  -4.327   8.008   2.926
  454    HE   ARG  61           HE       ARG  61  -6.894   7.838   1.591
  455   1HH1  ARG  61          HH21      ARG  61  -6.708   9.242   4.486
  456   2HH1  ARG  61          HH22      ARG  61  -6.769  10.892   3.961
  457   1HH2  ARG  61          HH11      ARG  61  -6.234  10.125   0.622
  458   2HH2  ARG  61          HH12      ARG  61  -6.501  11.392   1.774
  459    H    ILE  62           HN       ILE  62  -3.531   2.356   4.597
  460    HA   ILE  62           HA       ILE  62  -3.704   3.187   7.390
  461    HB   ILE  62           HB       ILE  62  -3.493   0.529   5.948
  462   1HG1  ILE  62          HG12      ILE  62  -5.692   1.239   7.824
  463   2HG1  ILE  62          HG11      ILE  62  -5.624   2.114   6.296
  464   1HG2  ILE  62          HG23      ILE  62  -3.091   1.090   8.844
  465   2HG2  ILE  62          HG22      ILE  62  -4.125  -0.279   8.438
  466   3HG2  ILE  62          HG21      ILE  62  -2.461  -0.228   7.856
  467   1HD1  ILE  62          HD12      ILE  62  -5.430  -0.897   6.414
  468   2HD1  ILE  62          HD11      ILE  62  -6.984  -0.066   6.315
  469   3HD1  ILE  62          HD13      ILE  62  -5.799   0.119   5.021
  470    H    LEU  63           HN       LEU  63  -1.154   2.112   5.215
  471    HA   LEU  63           HA       LEU  63   0.732   1.660   7.372
  472   1HB   LEU  63           HB2      LEU  63   0.722   0.647   4.955
  473   2HB   LEU  63           HB1      LEU  63   1.527   2.147   4.505
  474    HG   LEU  63           HG       LEU  63   2.504   0.330   6.724
  475   1HD1  LEU  63          HD11      LEU  63   2.475  -0.458   4.164
  476   2HD1  LEU  63          HD13      LEU  63   3.918   0.552   4.105
  477   3HD1  LEU  63          HD12      LEU  63   3.839  -0.807   5.226
  478   1HD2  LEU  63          HD22      LEU  63   3.428   2.867   5.442
  479   2HD2  LEU  63          HD21      LEU  63   3.545   2.353   7.126
  480   3HD2  LEU  63          HD23      LEU  63   4.657   1.698   5.925
  481    H    MET  64           HN       MET  64   0.126   4.258   5.057
  482    HA   MET  64           HA       MET  64   2.301   5.904   6.074
  483   1HB   MET  64           HB2      MET  64   1.333   5.982   3.705
  484   2HB   MET  64           HB1      MET  64  -0.046   6.846   4.392
  485   1HG   MET  64           HG2      MET  64   1.333   8.623   3.809
  486   2HG   MET  64           HG1      MET  64   1.840   8.350   5.476
  487   1HE   MET  64           HE2      MET  64   3.898   7.526   6.275
  488   2HE   MET  64           HE1      MET  64   5.386   7.781   5.368
  489   3HE   MET  64           HE3      MET  64   4.246   9.114   5.599
  490    H    ASP  65           HN       ASP  65  -1.280   6.145   6.221
  491    HA   ASP  65           HA       ASP  65  -1.086   8.270   8.223
  492   1HB   ASP  65           HB2      ASP  65  -3.725   6.980   7.417
  493   2HB   ASP  65           HB1      ASP  65  -3.406   8.604   8.014
  494    H    GLY  66           HN       GLY  66  -1.352   4.810   8.320
  495   1HA   GLY  66           HA2      GLY  66  -1.147   3.487  10.297
  496   2HA   GLY  66           HA1      GLY  66  -1.417   4.934  11.269
  497    H    VAL  67           HN       VAL  67  -2.723   2.286  11.438
  498    HA   VAL  67           HA       VAL  67  -5.574   3.061  10.948
  499    HB   VAL  67           HB       VAL  67  -4.941   1.145   9.609
  500   1HG1  VAL  67          HG12      VAL  67  -3.752   0.242  12.187
  501   2HG1  VAL  67          HG11      VAL  67  -4.408  -0.998  11.119
  502   3HG1  VAL  67          HG13      VAL  67  -3.128   0.070  10.547
  503   1HG2  VAL  67          HG23      VAL  67  -7.209   1.183  10.706
  504   2HG2  VAL  67          HG22      VAL  67  -6.633  -0.435  10.303
  505   3HG2  VAL  67          HG21      VAL  67  -6.547   0.142  11.968
  506    H    VAL  68           HN       VAL  68  -7.126   2.231  12.510
  507    HA   VAL  68           HA       VAL  68  -5.965   1.978  15.244
  508    HB   VAL  68           HB       VAL  68  -8.503   3.330  14.279
  509   1HG1  VAL  68          HG12      VAL  68  -7.727   2.519  17.097
  510   2HG1  VAL  68          HG11      VAL  68  -8.909   3.783  16.755
  511   3HG1  VAL  68          HG13      VAL  68  -9.215   2.124  16.238
  512   1HG2  VAL  68          HG21      VAL  68  -5.877   4.132  15.409
  513   2HG2  VAL  68          HG23      VAL  68  -6.920   4.987  14.274
  514   3HG2  VAL  68          HG22      VAL  68  -7.275   5.028  16.001
  515    H    THR  69           HN       THR  69  -7.171   0.621  16.695
  516    HA   THR  69           HA       THR  69  -8.580  -1.617  15.340
  517    HB   THR  69           HB       THR  69  -7.652  -3.044  17.200
  518    HG1  THR  69           HG1      THR  69  -6.512  -2.122  18.679
  519   1HG2  THR  69          HG22      THR  69  -6.097  -1.721  15.042
  520   2HG2  THR  69          HG21      THR  69  -5.174  -2.642  16.230
  521   3HG2  THR  69          HG23      THR  69  -6.444  -3.432  15.296
  522    H    SER  70           HN       SER  70 -10.078  -2.788  16.665
  523    HA   SER  70           HA       SER  70 -12.069  -1.153  17.828
  524   1HB   SER  70           HB2      SER  70 -12.461  -3.365  16.768
  525   2HB   SER  70           HB1      SER  70 -11.676  -4.135  18.143
  526    HG   SER  70           HG       SER  70 -13.322  -3.518  19.438
  527    H    SER  71           HN       SER  71  -9.361  -2.753  19.256
  528    HA   SER  71           HA       SER  71 -10.343  -2.609  22.007
  529   1HB   SER  71           HB2      SER  71  -7.837  -3.128  22.471
  530   2HB   SER  71           HB1      SER  71  -8.822  -4.363  21.695
  531    HG   SER  71           HG       SER  71  -6.893  -2.631  20.589
  532    H    GLY  72           HN       GLY  72  -8.864  -0.392  19.854
  533   1HA   GLY  72           HA2      GLY  72  -8.705   1.988  20.437
  534   2HA   GLY  72           HA1      GLY  72  -8.391   1.496  22.103
  535    H    GLN  73           HN       GLN  73  -6.700  -0.483  19.844
  536    HA   GLN  73           HA       GLN  73  -4.151   0.894  20.561
  537   1HB   GLN  73           HB2      GLN  73  -4.634  -1.843  19.335
  538   2HB   GLN  73           HB1      GLN  73  -3.079  -1.213  19.884
  539   1HG   GLN  73           HG2      GLN  73  -3.832  -1.133  22.172
  540   2HG   GLN  73           HG1      GLN  73  -5.490  -1.501  21.696
  541   1HE2  GLN  73          HE22      GLN  73  -4.467  -4.953  20.760
  542   2HE2  GLN  73          HE21      GLN  73  -5.214  -3.649  19.972
  543    H    HIS  74           HN       HIS  74  -2.538   1.238  18.822
  544    HA   HIS  74           HA       HIS  74  -3.822   1.609  16.145
  545   1HB   HIS  74           HB2      HIS  74  -1.728   3.173  17.633
  546   2HB   HIS  74           HB1      HIS  74  -1.842   3.265  15.894
  547    HD1  HIS  74           HD1      HIS  74  -2.839   5.544  15.548
  548    HD2  HIS  74           HD2      HIS  74  -4.955   3.331  18.376
  549    HE1  HIS  74           HE1      HIS  74  -4.895   6.901  16.127
  550    H    GLU  75           HN       GLU  75  -2.436   1.178  14.317
  551    HA   GLU  75           HA       GLU  75   0.079  -0.283  14.822
  552   1HB   GLU  75           HB2      GLU  75  -2.074  -1.494  13.078
  553   2HB   GLU  75           HB1      GLU  75  -0.553  -2.230  13.583
  554   1HG   GLU  75           HG2      GLU  75  -1.456  -1.858  16.003
  555   2HG   GLU  75           HG1      GLU  75  -3.028  -1.721  15.215
  556    H    GLY  76           HN       GLY  76   0.851  -1.070  12.449
  557   1HA   GLY  76           HA2      GLY  76   1.761  -0.344  10.415
  558   2HA   GLY  76           HA1      GLY  76   0.248   0.533  10.175
  559    H    ARG  77           HN       ARG  77   1.056   2.482   9.478
  560    HA   ARG  77           HA       ARG  77   2.056   4.607   9.597
  561   1HB   ARG  77           HB2      ARG  77   0.562   4.537  11.663
  562   2HB   ARG  77           HB1      ARG  77   2.020   4.172  12.586
  563   1HG   ARG  77           HG2      ARG  77   3.019   6.251  12.048
  564   2HG   ARG  77           HG1      ARG  77   1.885   6.545  10.728
  565   1HD   ARG  77           HD2      ARG  77   0.899   7.872  12.328
  566   2HD   ARG  77           HD1      ARG  77   0.118   6.344  12.734
  567    HE   ARG  77           HE       ARG  77   1.919   6.075  14.495
  568   1HH1  ARG  77          HH11      ARG  77   2.721   8.890  12.988
  569   2HH1  ARG  77          HH12      ARG  77   2.633   9.907  14.387
  570   1HH2  ARG  77          HH21      ARG  77   1.139   7.493  16.377
  571   2HH2  ARG  77          HH22      ARG  77   1.738   9.116  16.306
  572    H    LEU  78           HN       LEU  78   3.822   2.057   9.745
  573    HA   LEU  78           HA       LEU  78   6.129   2.885  11.331
  574   1HB   LEU  78           HB2      LEU  78   5.285   0.493   9.879
  575   2HB   LEU  78           HB1      LEU  78   6.982   0.866   9.589
  576    HG   LEU  78           HG       LEU  78   6.370   1.236  12.399
  577   1HD1  LEU  78          HD11      LEU  78   5.293  -1.207  11.079
  578   2HD1  LEU  78          HD13      LEU  78   6.166  -1.436  12.594
  579   3HD1  LEU  78          HD12      LEU  78   4.751  -0.385  12.542
  580   1HD2  LEU  78          HD23      LEU  78   8.611   0.834  11.370
  581   2HD2  LEU  78          HD22      LEU  78   8.247  -0.309  12.663
  582   3HD2  LEU  78          HD21      LEU  78   8.106  -0.810  10.979
  583    H    LEU  79           HN       LEU  79   5.001   3.612   8.147
  584    HA   LEU  79           HA       LEU  79   7.541   3.982   6.841
  585   1HB   LEU  79           HB2      LEU  79   4.826   4.204   6.122
  586   2HB   LEU  79           HB1      LEU  79   5.476   5.826   5.921
  587    HG   LEU  79           HG       LEU  79   7.281   4.956   4.501
  588   1HD1  LEU  79          HD11      LEU  79   6.515   2.450   5.683
  589   2HD1  LEU  79          HD13      LEU  79   6.354   2.316   3.930
  590   3HD1  LEU  79          HD12      LEU  79   7.894   2.798   4.641
  591   1HD2  LEU  79          HD22      LEU  79   4.424   4.708   3.880
  592   2HD2  LEU  79          HD21      LEU  79   5.722   5.416   2.921
  593   3HD2  LEU  79          HD23      LEU  79   5.427   3.679   2.860
  594    H    GLN  80           HN       GLN  80   8.874   5.087   8.302
  595    HA   GLN  80           HA       GLN  80   8.201   7.970   8.737
  596   1HB   GLN  80           HB2      GLN  80   9.655   6.070  10.600
  597   2HB   GLN  80           HB1      GLN  80   9.513   7.809  10.858
  598   1HG   GLN  80           HG2      GLN  80   6.953   6.428  10.315
  599   2HG   GLN  80           HG1      GLN  80   7.735   5.967  11.827
  600   1HE2  GLN  80          HE22      GLN  80   6.387   8.846  13.340
  601   2HE2  GLN  80          HE21      GLN  80   6.612   7.163  13.399
  602    H    ASP  81           HN       ASP  81  10.355   9.134   9.372
  603    HA   ASP  81           HA       ASP  81  12.033   9.124   7.089
  604   1HB   ASP  81           HB2      ASP  81  12.534  10.264   9.860
  605   2HB   ASP  81           HB1      ASP  81  13.519  10.594   8.431
  606    H    LEU  82           HN       LEU  82  13.040   7.289   6.619
  607    HA   LEU  82           HA       LEU  82  14.533   5.668   8.562
  608   1HB   LEU  82           HB2      LEU  82  13.992   5.554   5.595
  609   2HB   LEU  82           HB1      LEU  82  15.260   4.553   6.277
  610    HG   LEU  82           HG       LEU  82  12.457   4.583   7.407
  611   1HD1  LEU  82          HD11      LEU  82  13.616   2.783   5.256
  612   2HD1  LEU  82          HD13      LEU  82  12.097   2.482   6.099
  613   3HD1  LEU  82          HD12      LEU  82  12.267   3.904   5.070
  614   1HD2  LEU  82          HD23      LEU  82  14.948   3.326   8.126
  615   2HD2  LEU  82          HD22      LEU  82  13.386   3.200   8.931
  616   3HD2  LEU  82          HD21      LEU  82  13.805   2.073   7.645
  617    HA   PRO  83           HA       PRO  83  18.393   7.731   7.974
  618   1HB   PRO  83           HB2      PRO  83  20.240   5.740   7.485
  619   2HB   PRO  83           HB1      PRO  83  19.581   6.111   9.087
  620   1HG   PRO  83           HG2      PRO  83  18.910   3.848   7.252
  621   2HG   PRO  83           HG1      PRO  83  18.863   3.910   9.022
  622   1HD   PRO  83           HD2      PRO  83  16.627   4.084   7.369
  623   2HD   PRO  83           HD1      PRO  83  16.676   4.636   9.051
  624    H    GLY  84           HN       GLY  84  18.069   8.917   6.125
  625   1HA   GLY  84           HA2      GLY  84  19.060   9.579   4.024
  626   2HA   GLY  84           HA1      GLY  84  19.303   7.880   3.624
  627    H    CYS  85           HN       CYS  85  16.164   8.194   4.910
  628    HA   CYS  85           HA       CYS  85  14.957   8.840   2.265
  629   1HB   CYS  85           HB2      CYS  85  13.902   6.524   3.873
  630   2HB   CYS  85           HB1      CYS  85  13.683   6.867   2.162
  631    HA   PRO  86           HA       PRO  86  12.709  10.919   5.716
  632   1HB   PRO  86           HB2      PRO  86  12.027  13.169   4.262
  633   2HB   PRO  86           HB1      PRO  86  13.519  13.009   5.176
  634   1HG   PRO  86           HG2      PRO  86  13.099  12.864   2.238
  635   2HG   PRO  86           HG1      PRO  86  14.552  13.331   3.135
  636   1HD   PRO  86           HD2      PRO  86  14.136  10.852   1.881
  637   2HD   PRO  86           HD1      PRO  86  15.384  11.189   3.096
  638    H    ARG  87           HN       ARG  87  10.377  11.540   5.887
  639    HA   ARG  87           HA       ARG  87   8.507   9.878   4.669
  640   1HB   ARG  87           HB2      ARG  87   8.151  12.750   5.577
  641   2HB   ARG  87           HB1      ARG  87   6.829  11.643   5.232
  642   1HG   ARG  87           HG2      ARG  87   8.896  10.633   7.082
  643   2HG   ARG  87           HG1      ARG  87   7.915  11.969   7.684
  644   1HD   ARG  87           HD2      ARG  87   6.451   9.778   6.304
  645   2HD   ARG  87           HD1      ARG  87   7.124   9.389   7.882
  646    HE   ARG  87           HE       ARG  87   5.697  11.898   7.959
  647   1HH1  ARG  87          HH21      ARG  87   5.816   8.962   9.400
  648   2HH1  ARG  87          HH22      ARG  87   4.107   8.726   9.558
  649   1HH2  ARG  87          HH11      ARG  87   3.281  11.394   7.503
  650   2HH2  ARG  87          HH12      ARG  87   2.673  10.103   8.484
  651    H    GLN  88           HN       GLN  88   9.941  12.857   3.506
  652    HA   GLN  88           HA       GLN  88   8.133  13.640   1.475
  653   1HB   GLN  88           HB2      GLN  88  11.154  13.745   1.269
  654   2HB   GLN  88           HB1      GLN  88   9.999  14.786   0.434
  655   1HG   GLN  88           HG2      GLN  88   9.214  15.142   3.023
  656   2HG   GLN  88           HG1      GLN  88  10.946  14.885   3.238
  657   1HE2  GLN  88          HE22      GLN  88  11.494  17.734   0.799
  658   2HE2  GLN  88          HE21      GLN  88  11.782  16.064   0.697
  659    H    VAL  89           HN       VAL  89  10.902  11.387   1.122
  660    HA   VAL  89           HA       VAL  89  10.423  10.725  -1.618
  661    HB   VAL  89           HB       VAL  89  11.753   9.153   0.607
  662   1HG1  VAL  89          HG13      VAL  89  11.656   8.844  -2.387
  663   2HG1  VAL  89          HG12      VAL  89  13.057   8.281  -1.473
  664   3HG1  VAL  89          HG11      VAL  89  11.461   7.606  -1.145
  665   1HG2  VAL  89          HG22      VAL  89  12.536  11.527   0.044
  666   2HG2  VAL  89          HG21      VAL  89  13.743  10.244   0.022
  667   3HG2  VAL  89          HG23      VAL  89  13.069  10.844  -1.491
  668    H    GLN  90           HN       GLN  90   9.311   9.457   1.447
  669    HA   GLN  90           HA       GLN  90   7.970   7.110   0.477
  670   1HB   GLN  90           HB2      GLN  90   6.945   8.701   2.833
  671   2HB   GLN  90           HB1      GLN  90   6.935   6.958   2.601
  672   1HG   GLN  90           HG2      GLN  90   9.347   8.698   3.206
  673   2HG   GLN  90           HG1      GLN  90   8.620   7.491   4.255
  674   1HE2  GLN  90          HE22      GLN  90  11.557   6.271   1.956
  675   2HE2  GLN  90          HE21      GLN  90  11.324   7.846   2.545
  676    H    ARG  91           HN       ARG  91   7.152  10.498   0.494
  677    HA   ARG  91           HA       ARG  91   4.319  10.112  -0.069
  678   1HB   ARG  91           HB2      ARG  91   5.839  12.244   0.835
  679   2HB   ARG  91           HB1      ARG  91   5.478  12.709  -0.828
  680   1HG   ARG  91           HG2      ARG  91   3.582  13.516   0.226
  681   2HG   ARG  91           HG1      ARG  91   3.038  11.882  -0.157
  682   1HD   ARG  91           HD2      ARG  91   4.282  11.449   2.232
  683   2HD   ARG  91           HD1      ARG  91   3.679  13.089   2.469
  684    HE   ARG  91           HE       ARG  91   1.971  10.708   1.898
  685   1HH1  ARG  91          HH21      ARG  91   1.516  13.879   1.334
  686   2HH1  ARG  91          HH22      ARG  91   0.299  14.152   2.536
  687   1HH2  ARG  91          HH11      ARG  91   0.787  11.099   4.105
  688   2HH2  ARG  91          HH12      ARG  91  -0.114  12.578   4.104
  689    H    ALA  92           HN       ALA  92   7.272  10.746  -1.950
  690    HA   ALA  92           HA       ALA  92   5.982  11.210  -4.476
  691   1HB   ALA  92           HB1      ALA  92   8.749  10.190  -3.778
  692   2HB   ALA  92           HB3      ALA  92   8.237  10.558  -5.425
  693   3HB   ALA  92           HB2      ALA  92   8.295  11.838  -4.212
  694    H    PHE  93           HN       PHE  93   7.407   8.260  -3.058
  695    HA   PHE  93           HA       PHE  93   6.503   6.546  -5.236
  696   1HB   PHE  93           HB2      PHE  93   8.541   5.958  -4.047
  697   2HB   PHE  93           HB1      PHE  93   7.676   5.929  -2.512
  698    HD1  PHE  93           HD2      PHE  93   6.040   4.140  -2.008
  699    HD2  PHE  93           HD1      PHE  93   8.354   4.127  -5.625
  700    HE1  PHE  93           HE2      PHE  93   5.443   1.762  -2.382
  701    HE2  PHE  93           HE1      PHE  93   7.755   1.750  -6.002
  702    HZ   PHE  93           HZ       PHE  93   6.304   0.568  -4.380
  703    H    ALA  94           HN       ALA  94   5.211   7.584  -2.169
  704    HA   ALA  94           HA       ALA  94   3.555   5.623  -1.272
  705   1HB   ALA  94           HB1      ALA  94   3.361   8.570  -1.343
  706   2HB   ALA  94           HB3      ALA  94   1.840   7.730  -1.040
  707   3HB   ALA  94           HB2      ALA  94   3.223   7.462   0.021
  708    HA   PRO  95           HA       PRO  95   0.093   6.462  -4.458
  709   1HB   PRO  95           HB2      PRO  95   0.673   8.074  -6.618
  710   2HB   PRO  95           HB1      PRO  95  -0.063   8.659  -5.116
  711   1HG   PRO  95           HG2      PRO  95   2.734   8.994  -6.091
  712   2HG   PRO  95           HG1      PRO  95   1.797  10.019  -4.991
  713   1HD   PRO  95           HD2      PRO  95   3.787   8.179  -4.229
  714   2HD   PRO  95           HD1      PRO  95   2.618   8.935  -3.138
  715    H    LYS  96           HN       LYS  96  -0.063   6.020  -7.095
  716    HA   LYS  96           HA       LYS  96   0.527   4.575  -8.855
  717   1HB   LYS  96           HB2      LYS  96   3.326   4.461  -7.703
  718   2HB   LYS  96           HB1      LYS  96   2.832   4.220  -9.376
  719   1HG   LYS  96           HG2      LYS  96   2.069   6.630  -9.407
  720   2HG   LYS  96           HG1      LYS  96   2.817   6.820  -7.820
  721   1HD   LYS  96           HD2      LYS  96   4.846   5.628  -9.228
  722   2HD   LYS  96           HD1      LYS  96   4.079   6.599 -10.484
  723   1HE   LYS  96           HE2      LYS  96   5.060   7.610  -7.798
  724   2HE   LYS  96           HE1      LYS  96   5.819   7.911  -9.362
  725   1HZ   LYS  96           HZ1      LYS  96   3.617   8.904 -10.034
  726   2HZ   LYS  96           HZ3      LYS  96   3.191   8.872  -8.393
  727   3HZ   LYS  96           HZ2      LYS  96   4.523   9.794  -8.906
  728    H    LEU  97           HN       LEU  97  -0.290   3.709  -6.101
  729    HA   LEU  97           HA       LEU  97   1.083   1.209  -5.528
  730   1HB   LEU  97           HB2      LEU  97  -1.124   0.790  -4.125
  731   2HB   LEU  97           HB1      LEU  97   0.097   1.929  -3.580
  732    HG   LEU  97           HG       LEU  97  -1.991   3.066  -5.362
  733   1HD1  LEU  97          HD11      LEU  97  -3.290   1.493  -3.935
  734   2HD1  LEU  97          HD13      LEU  97  -2.616   2.273  -2.506
  735   3HD1  LEU  97          HD12      LEU  97  -3.665   3.182  -3.590
  736   1HD2  LEU  97          HD23      LEU  97  -0.205   4.409  -4.263
  737   2HD2  LEU  97          HD22      LEU  97  -1.815   4.912  -3.748
  738   3HD2  LEU  97          HD21      LEU  97  -0.822   3.909  -2.689
  739    H    VAL  98           HN       VAL  98  -2.423   1.539  -6.471
  740    HA   VAL  98           HA       VAL  98  -2.275  -1.159  -7.658
  741    HB   VAL  98           HB       VAL  98  -4.675  -0.916  -7.985
  742   1HG1  VAL  98          HG13      VAL  98  -3.838  -1.656  -5.830
  743   2HG1  VAL  98          HG12      VAL  98  -3.755   0.019  -5.282
  744   3HG1  VAL  98          HG11      VAL  98  -5.318  -0.718  -5.641
  745   1HG2  VAL  98          HG21      VAL  98  -4.594   1.574  -8.471
  746   2HG2  VAL  98          HG23      VAL  98  -5.880   1.088  -7.365
  747   3HG2  VAL  98          HG22      VAL  98  -4.411   1.833  -6.736
  748    H    THR  99           HN       THR  99  -0.891   1.220  -8.897
  749    HA   THR  99           HA       THR  99  -2.327   1.416 -11.475
  750    HB   THR  99           HB       THR  99  -0.908   3.305 -11.989
  751    HG1  THR  99           HG1      THR  99   0.578   2.415  -9.746
  752   1HG2  THR  99          HG23      THR  99  -2.694   3.427 -10.070
  753   2HG2  THR  99          HG22      THR  99  -1.277   3.677  -9.049
  754   3HG2  THR  99          HG21      THR  99  -1.620   4.793 -10.373
  755    H    GLU 100           HN       GLU 100  -0.686   1.386 -13.482
  756    HA   GLU 100           HA       GLU 100   0.441  -1.221 -13.600
  757   1HB   GLU 100           HB2      GLU 100  -0.080   0.825 -15.392
  758   2HB   GLU 100           HB1      GLU 100   1.678   0.715 -15.431
  759   1HG   GLU 100           HG2      GLU 100  -0.023  -1.767 -15.601
  760   2HG   GLU 100           HG1      GLU 100   0.319  -0.807 -17.040
  761    H    VAL 101           HN       VAL 101   1.801   1.351 -11.753
  762    HA   VAL 101           HA       VAL 101   4.580   0.570 -12.400
  763    HB   VAL 101           HB       VAL 101   3.604   2.657 -10.433
  764   1HG1  VAL 101          HG11      VAL 101   6.260   1.937 -11.673
  765   2HG1  VAL 101          HG13      VAL 101   5.955   3.557 -11.045
  766   3HG1  VAL 101          HG12      VAL 101   5.869   2.163  -9.968
  767   1HG2  VAL 101          HG22      VAL 101   4.201   2.789 -13.397
  768   2HG2  VAL 101          HG21      VAL 101   2.764   3.360 -12.549
  769   3HG2  VAL 101          HG23      VAL 101   4.294   4.218 -12.368
  770    H    GLU 102           HN       GLU 102   2.221  -0.685 -10.394
  771    HA   GLU 102           HA       GLU 102   4.309  -1.752  -8.569
  772   1HB   GLU 102           HB2      GLU 102   2.060  -0.016  -7.798
  773   2HB   GLU 102           HB1      GLU 102   2.201  -1.483  -6.830
  774   1HG   GLU 102           HG2      GLU 102   4.811  -0.720  -6.938
  775   2HG   GLU 102           HG1      GLU 102   4.017   0.855  -6.993
  776    H    CYS 103           HN       CYS 103   0.829  -2.234  -8.037
  777    HA   CYS 103           HA       CYS 103   0.989  -4.953  -9.279
  778   1HB   CYS 103           HB2      CYS 103   0.109  -4.431  -6.417
  779   2HB   CYS 103           HB1      CYS 103   0.150  -5.994  -7.231
  780    H    ASN 104           HN       ASN 104  -0.460  -2.721 -10.321
  781    HA   ASN 104           HA       ASN 104  -3.000  -2.093  -9.589
  782   1HB   ASN 104           HB2      ASN 104  -1.884  -1.353 -11.662
  783   2HB   ASN 104           HB1      ASN 104  -2.194  -2.921 -12.381
  784   1HD2  ASN 104          HD22      ASN 104  -4.947  -0.846 -13.622
  785   2HD2  ASN 104          HD21      ASN 104  -3.285  -1.062 -13.895
  786    H    LEU 105           HN       LEU 105  -2.611  -4.831 -11.877
  787    HA   LEU 105           HA       LEU 105  -4.065  -6.665 -12.243
  788   1HB   LEU 105           HB2      LEU 105  -4.080  -6.435  -9.222
  789   2HB   LEU 105           HB1      LEU 105  -4.810  -7.786 -10.087
  790    HG   LEU 105           HG       LEU 105  -2.074  -7.195 -10.989
  791   1HD1  LEU 105          HD13      LEU 105  -2.283  -6.766  -8.345
  792   2HD1  LEU 105          HD12      LEU 105  -2.147  -8.523  -8.322
  793   3HD1  LEU 105          HD11      LEU 105  -0.875  -7.550  -9.060
  794   1HD2  LEU 105          HD23      LEU 105  -3.756  -9.289 -11.189
  795   2HD2  LEU 105          HD22      LEU 105  -2.004  -9.481 -11.245
  796   3HD2  LEU 105          HD21      LEU 105  -2.874  -9.781  -9.742
  797    H    ALA 106           HN       ALA 106  -5.321  -3.882 -12.146
  798    HA   ALA 106           HA       ALA 106  -7.444  -2.954 -12.399
  799   1HB   ALA 106           HB1      ALA 106  -7.781  -5.782 -12.884
  800   2HB   ALA 106           HB3      ALA 106  -9.172  -5.201 -11.966
  801   3HB   ALA 106           HB2      ALA 106  -8.749  -4.445 -13.502
  802    H    THR 107           HN       THR 107  -9.422  -2.507 -11.116
  803    HA   THR 107           HA       THR 107  -9.115  -3.181  -8.216
  804    HB   THR 107           HB       THR 107  -9.193  -0.852  -7.639
  805    HG1  THR 107           HG1      THR 107  -9.775  -0.443 -10.394
  806   1HG2  THR 107          HG23      THR 107  -7.111  -1.754  -9.081
  807   2HG2  THR 107          HG22      THR 107  -7.651  -0.432 -10.118
  808   3HG2  THR 107          HG21      THR 107  -7.218  -0.114  -8.438
  809    H    ILE 108           HN       ILE 108 -11.220  -1.477  -7.340
  810    HA   ILE 108           HA       ILE 108 -13.574  -2.989  -8.270
  811    HB   ILE 108           HB       ILE 108 -13.090  -2.808  -5.842
  812   1HG1  ILE 108          HG12      ILE 108 -15.545  -1.320  -5.707
  813   2HG1  ILE 108          HG11      ILE 108 -15.581  -2.299  -7.171
  814   1HG2  ILE 108          HG23      ILE 108 -12.148  -0.447  -5.979
  815   2HG2  ILE 108          HG22      ILE 108 -13.807   0.130  -6.102
  816   3HG2  ILE 108          HG21      ILE 108 -13.276  -0.718  -4.652
  817   1HD1  ILE 108          HD11      ILE 108 -14.612  -4.144  -5.476
  818   2HD1  ILE 108          HD13      ILE 108 -15.500  -3.155  -4.318
  819   3HD1  ILE 108          HD12      ILE 108 -16.343  -3.881  -5.685
  820    H    HIS 109           HN       HIS 109 -12.661   0.448  -7.833
  821    HA   HIS 109           HA       HIS 109 -15.073   1.619  -8.758
  822   1HB   HIS 109           HB2      HIS 109 -13.119   3.392  -9.760
  823   2HB   HIS 109           HB1      HIS 109 -13.980   3.518  -8.231
  824    HD1  HIS 109           HD1      HIS 109 -11.067   1.507  -9.520
  825    HD2  HIS 109           HD2      HIS 109 -12.062   3.662  -6.162
  826    HE1  HIS 109           HE1      HIS 109  -9.251   1.126  -7.820
  827    H    GLY 110           HN       GLY 110 -12.653  -0.058 -10.605
  828   1HA   GLY 110           HA2      GLY 110 -13.289  -0.965 -12.779
  829   2HA   GLY 110           HA1      GLY 110 -14.294   0.452 -13.029
  830    H    GLY 111           HN       GLY 111 -10.776  -0.345 -12.583
  831   1HA   GLY 111           HA2      GLY 111  -9.614   0.404 -14.841
  832   2HA   GLY 111           HA1      GLY 111 -10.136   1.996 -14.302
  833    HA   PRO 112           HA       PRO 112  -5.929   0.868 -12.442
  834   1HB   PRO 112           HB2      PRO 112  -4.442   2.653 -13.948
  835   2HB   PRO 112           HB1      PRO 112  -4.654   0.947 -14.368
  836   1HG   PRO 112           HG2      PRO 112  -5.901   3.373 -15.570
  837   2HG   PRO 112           HG1      PRO 112  -5.582   1.794 -16.309
  838   1HD   PRO 112           HD2      PRO 112  -8.090   2.694 -15.412
  839   2HD   PRO 112           HD1      PRO 112  -7.664   1.006 -15.768
  840    H    PHE 113           HN       PHE 113  -7.027   1.968 -10.649
  841    HA   PHE 113           HA       PHE 113  -5.788   4.407  -9.809
  842   1HB   PHE 113           HB2      PHE 113  -7.695   6.002  -9.980
  843   2HB   PHE 113           HB1      PHE 113  -7.051   5.543 -11.539
  844    HD1  PHE 113           HD1      PHE 113  -8.903   2.689 -10.460
  845    HD2  PHE 113           HD2      PHE 113  -9.455   6.718 -11.881
  846    HE1  PHE 113           HE1      PHE 113 -11.145   2.103 -11.318
  847    HE2  PHE 113           HE2      PHE 113 -11.699   6.113 -12.710
  848    HZ   PHE 113           HZ       PHE 113 -12.546   3.808 -12.428
  849    H    CYS 114           HN       CYS 114  -7.451   5.589  -8.127
  850    HA   CYS 114           HA       CYS 114  -9.480   4.449  -6.702
  851   1HB   CYS 114           HB2      CYS 114  -8.539   3.189  -4.858
  852   2HB   CYS 114           HB1      CYS 114  -8.202   2.393  -6.368
  853    H    LEU 115           HN       LEU 115  -9.070   4.889  -4.104
  854    HA   LEU 115           HA       LEU 115  -8.642   6.458  -2.440
  855   1HB   LEU 115           HB2      LEU 115  -6.311   6.602  -4.164
  856   2HB   LEU 115           HB1      LEU 115  -6.687   8.194  -3.510
  857    HG   LEU 115           HG       LEU 115  -6.850   5.943  -1.582
  858   1HD1  LEU 115          HD13      LEU 115  -4.740   5.709  -3.191
  859   2HD1  LEU 115          HD12      LEU 115  -4.108   6.992  -2.160
  860   3HD1  LEU 115          HD11      LEU 115  -4.591   5.451  -1.453
  861   1HD2  LEU 115          HD22      LEU 115  -7.173   8.369  -1.025
  862   2HD2  LEU 115          HD21      LEU 115  -5.871   7.614  -0.104
  863   3HD2  LEU 115          HD23      LEU 115  -5.492   8.656  -1.476
  864    H    SER 116           HN       SER 116  -7.767   8.652  -5.104
  865    HA   SER 116           HA       SER 116  -9.914  10.477  -4.258
  866   1HB   SER 116           HB2      SER 116  -7.886  10.841  -6.478
  867   2HB   SER 116           HB1      SER 116  -8.853  12.095  -5.707
  868    HG   SER 116           HG       SER 116  -7.680  11.880  -3.880
  869    H    LEU 117           HN       LEU 117  -8.858   9.505  -7.544
  870    HA   LEU 117           HA       LEU 117 -10.085   8.948  -9.450
  871   1HB   LEU 117           HB2      LEU 117 -11.600   7.838  -7.231
  872   2HB   LEU 117           HB1      LEU 117 -12.685   8.371  -8.512
  873    HG   LEU 117           HG       LEU 117 -10.984   7.144 -10.094
  874   1HD1  LEU 117          HD11      LEU 117 -10.254   6.198  -7.357
  875   2HD1  LEU 117          HD13      LEU 117 -10.325   4.989  -8.638
  876   3HD1  LEU 117          HD12      LEU 117  -9.241   6.372  -8.790
  877   1HD2  LEU 117          HD23      LEU 117 -13.440   6.559  -9.233
  878   2HD2  LEU 117          HD22      LEU 117 -12.506   5.400 -10.177
  879   3HD2  LEU 117          HD21      LEU 117 -12.583   5.249  -8.422
  880    H    LEU 118           HN       LEU 118 -12.989  10.097  -7.719
  881    HA   LEU 118           HA       LEU 118 -13.759  11.897  -9.744
  882   1HB   LEU 118           HB2      LEU 118 -14.504  11.605  -6.854
  883   2HB   LEU 118           HB1      LEU 118 -15.071  12.996  -7.770
  884    HG   LEU 118           HG       LEU 118 -15.663  11.093  -9.555
  885   1HD1  LEU 118          HD11      LEU 118 -15.307   9.704  -6.932
  886   2HD1  LEU 118          HD13      LEU 118 -16.660   9.212  -7.951
  887   3HD1  LEU 118          HD12      LEU 118 -15.010   9.110  -8.566
  888   1HD2  LEU 118          HD21      LEU 118 -17.118  12.737  -8.034
  889   2HD2  LEU 118          HD23      LEU 118 -17.871  11.430  -8.947
  890   3HD2  LEU 118          HD22      LEU 118 -17.536  11.226  -7.227
  891    H    GLY 119           HN       GLY 119 -11.233  12.438  -7.421
  892   1HA   GLY 119           HA2      GLY 119  -9.787  14.275  -7.220
  893   2HA   GLY 119           HA1      GLY 119 -10.675  15.054  -8.528
  894    H    ALA 120           HN       ALA 120  -9.777  15.821  -5.639
  895    HA   ALA 120           HA       ALA 120 -10.561  17.242  -3.952
  896   1HB   ALA 120           HB3      ALA 120 -11.531  18.251  -6.260
  897   2HB   ALA 120           HB2      ALA 120 -13.049  17.892  -5.437
  898   3HB   ALA 120           HB1      ALA 120 -11.872  18.966  -4.684
  899    H    GLY 121           HN       GLY 121 -10.944  15.099  -2.848
  900   1HA   GLY 121           HA2      GLY 121 -13.801  14.361  -2.530
  901   2HA   GLY 121           HA1      GLY 121 -12.427  13.435  -1.924
  902    H    GLU 122           HN       GLU 122 -12.391  16.878  -1.416
  903    HA   GLU 122           HA       GLU 122 -13.790  17.029   1.077
  904   1HB   GLU 122           HB2      GLU 122 -11.880  15.481   1.710
  905   2HB   GLU 122           HB1      GLU 122 -10.784  16.827   1.389
  906   1HG   GLU 122           HG2      GLU 122 -12.605  18.062   2.989
  907   2HG   GLU 122           HG1      GLU 122 -12.674  16.423   3.640
   
  No H/Q in entry =         907
  Start of MODEL           5
 Raw file had  930 H/Q atoms
  Start of MODEL    5
    1   1H    SER   1           HT2      SER   1 -16.760   4.901  11.183
    2   2H    SER   1           HT1      SER   1 -15.575   5.929  11.836
    3   3H    SER   1           HT3      SER   1 -15.137   4.738  10.710
    4    HA   SER   1           HA       SER   1 -14.486   3.858  12.758
    5   1HB   SER   1           HB2      SER   1 -17.044   5.126  13.659
    6   2HB   SER   1           HB1      SER   1 -16.448   3.724  14.542
    7    HG   SER   1           HG       SER   1 -15.012   6.110  13.972
    8    H    VAL   2           HN       VAL   2 -18.008   3.478  12.209
    9    HA   VAL   2           HA       VAL   2 -17.888   0.591  12.423
   10    HB   VAL   2           HB       VAL   2 -20.093   2.353  11.302
   11   1HG1  VAL   2          HG11      VAL   2 -19.858  -0.558  11.976
   12   2HG1  VAL   2          HG13      VAL   2 -21.396   0.255  12.267
   13   3HG1  VAL   2          HG12      VAL   2 -20.714   0.213  10.641
   14   1HG2  VAL   2          HG23      VAL   2 -19.163   2.605  13.772
   15   2HG2  VAL   2          HG22      VAL   2 -20.899   2.599  13.465
   16   3HG2  VAL   2          HG21      VAL   2 -20.100   1.136  14.038
   17    H    GLY   3           HN       GLY   3 -19.188   2.354   9.587
   18   1HA   GLY   3           HA2      GLY   3 -18.365   2.226   7.326
   19   2HA   GLY   3           HA1      GLY   3 -17.353   0.859   7.797
   20    H    THR   4           HN       THR   4 -19.685   1.411   5.756
   21    HA   THR   4           HA       THR   4 -21.498  -0.821   6.494
   22    HB   THR   4           HB       THR   4 -22.560   1.227   5.694
   23    HG1  THR   4           HG1      THR   4 -23.481  -0.761   5.075
   24   1HG2  THR   4          HG23      THR   4 -20.480   0.971   3.597
   25   2HG2  THR   4          HG22      THR   4 -22.063   1.523   3.049
   26   3HG2  THR   4          HG21      THR   4 -21.200   2.419   4.300
   27    H    SER   5           HN       SER   5 -18.592  -1.047   5.493
   28    HA   SER   5           HA       SER   5 -18.975  -3.399   3.876
   29   1HB   SER   5           HB2      SER   5 -18.036  -2.663   1.785
   30   2HB   SER   5           HB1      SER   5 -19.320  -1.530   2.185
   31    HG   SER   5           HG       SER   5 -17.875  -0.014   2.257
   32    H    CYS   6           HN       CYS   6 -16.847  -4.485   3.492
   33    HA   CYS   6           HA       CYS   6 -14.705  -5.120   4.191
   34   1HB   CYS   6           HB2      CYS   6 -14.265  -2.150   4.635
   35   2HB   CYS   6           HB1      CYS   6 -13.031  -3.377   4.342
   36    H    ILE   7           HN       ILE   7 -13.328  -5.239   6.183
   37    HA   ILE   7           HA       ILE   7 -14.434  -4.091   8.660
   38    HB   ILE   7           HB       ILE   7 -14.284  -6.720   9.482
   39   1HG1  ILE   7          HG12      ILE   7 -15.776  -6.765   6.841
   40   2HG1  ILE   7          HG11      ILE   7 -14.153  -7.422   7.041
   41   1HG2  ILE   7          HG21      ILE   7 -16.563  -4.955   8.628
   42   2HG2  ILE   7          HG23      ILE   7 -16.873  -6.580   9.238
   43   3HG2  ILE   7          HG22      ILE   7 -16.053  -5.397  10.257
   44   1HD1  ILE   7          HD13      ILE   7 -16.324  -8.271   8.933
   45   2HD1  ILE   7          HD12      ILE   7 -16.247  -8.996   7.327
   46   3HD1  ILE   7          HD11      ILE   7 -14.880  -9.150   8.430
   47    HA   PRO   8           HA       PRO   8 -10.271  -4.499   9.995
   48   1HB   PRO   8           HB2      PRO   8 -10.528  -5.012  12.688
   49   2HB   PRO   8           HB1      PRO   8 -10.819  -3.424  11.957
   50   1HG   PRO   8           HG2      PRO   8 -12.796  -5.425  12.955
   51   2HG   PRO   8           HG1      PRO   8 -12.940  -3.662  12.845
   52   1HD   PRO   8           HD2      PRO   8 -14.085  -5.517  11.056
   53   2HD   PRO   8           HD1      PRO   8 -13.893  -3.776  10.761
   54    H    GLY   9           HN       GLY   9  -8.626  -6.149  10.244
   55   1HA   GLY   9           HA2      GLY   9  -7.720  -8.295  10.353
   56   2HA   GLY   9           HA1      GLY   9  -8.993  -8.675  11.509
   57    H    MET  10           HN       MET  10 -10.170  -7.545   8.479
   58    HA   MET  10           HA       MET  10 -10.499 -10.288   7.386
   59   1HB   MET  10           HB2      MET  10 -12.695  -8.311   8.031
   60   2HB   MET  10           HB1      MET  10 -12.925  -9.653   6.909
   61   1HG   MET  10           HG2      MET  10 -11.701 -10.344   9.524
   62   2HG   MET  10           HG1      MET  10 -13.393  -9.852   9.572
   63   1HE   MET  10           HE1      MET  10 -11.347 -12.268   9.918
   64   2HE   MET  10           HE3      MET  10 -12.126 -13.776   9.423
   65   3HE   MET  10           HE2      MET  10 -10.972 -12.985   8.353
   66    H    ALA  11           HN       ALA  11  -9.403  -9.888   5.308
   67    HA   ALA  11           HA       ALA  11  -9.309  -9.071   3.097
   68   1HB   ALA  11           HB1      ALA  11 -11.718  -8.056   3.657
   69   2HB   ALA  11           HB3      ALA  11 -10.799  -6.553   3.731
   70   3HB   ALA  11           HB2      ALA  11 -10.800  -7.514   2.252
   71    H    ILE  12           HN       ILE  12  -9.399  -6.374   5.445
   72    HA   ILE  12           HA       ILE  12  -6.685  -5.572   4.530
   73    HB   ILE  12           HB       ILE  12  -8.806  -3.945   5.967
   74   1HG1  ILE  12          HG12      ILE  12  -7.774  -3.335   3.221
   75   2HG1  ILE  12          HG11      ILE  12  -8.951  -4.635   3.398
   76   1HG2  ILE  12          HG21      ILE  12  -5.936  -3.540   5.513
   77   2HG2  ILE  12          HG23      ILE  12  -6.916  -2.216   4.883
   78   3HG2  ILE  12          HG22      ILE  12  -7.035  -2.671   6.581
   79   1HD1  ILE  12          HD13      ILE  12  -9.812  -2.374   4.963
   80   2HD1  ILE  12          HD12      ILE  12  -9.456  -1.840   3.321
   81   3HD1  ILE  12          HD11      ILE  12 -10.618  -3.138   3.593
   82    HA   PRO  13           HA       PRO  13  -6.134  -7.274   8.750
   83   1HB   PRO  13           HB2      PRO  13  -3.619  -8.298   8.356
   84   2HB   PRO  13           HB1      PRO  13  -5.110  -9.152   7.929
   85   1HG   PRO  13           HG2      PRO  13  -3.107  -7.903   6.147
   86   2HG   PRO  13           HG1      PRO  13  -4.335  -9.119   5.765
   87   1HD   PRO  13           HD2      PRO  13  -4.416  -6.297   5.235
   88   2HD   PRO  13           HD1      PRO  13  -5.682  -7.497   4.870
   89    H    HIS  14           HN       HIS  14  -4.266  -7.031  10.362
   90    HA   HIS  14           HA       HIS  14  -3.580  -4.261  10.614
   91   1HB   HIS  14           HB2      HIS  14  -2.482  -6.623  12.187
   92   2HB   HIS  14           HB1      HIS  14  -2.623  -4.959  12.708
   93    HD1  HIS  14           HD1      HIS  14  -4.953  -4.116  13.505
   94    HD2  HIS  14           HD2      HIS  14  -4.966  -8.069  12.182
   95    HE1  HIS  14           HE1      HIS  14  -7.181  -5.111  14.221
   96    H    ASN  15           HN       ASN  15  -1.471  -3.300  10.264
   97    HA   ASN  15           HA       ASN  15   0.645  -3.062   9.307
   98   1HB   ASN  15           HB2      ASN  15   0.828  -5.935  10.272
   99   2HB   ASN  15           HB1      ASN  15   2.198  -5.041   9.610
  100   1HD2  ASN  15          HD22      ASN  15   2.523  -2.908  12.467
  101   2HD2  ASN  15          HD21      ASN  15   2.856  -3.031  10.807
  102    HA   PRO  16           HA       PRO  16  -0.984  -5.370   5.534
  103   1HB   PRO  16           HB2      PRO  16  -2.070  -3.223   4.222
  104   2HB   PRO  16           HB1      PRO  16  -2.981  -4.232   5.358
  105   1HG   PRO  16           HG2      PRO  16  -1.882  -1.483   5.748
  106   2HG   PRO  16           HG1      PRO  16  -3.294  -2.243   6.499
  107   1HD   PRO  16           HD2      PRO  16  -0.772  -1.908   7.726
  108   2HD   PRO  16           HD1      PRO  16  -2.074  -2.984   8.274
  109    H    LEU  17           HN       LEU  17  -0.034  -5.358   3.483
  110    HA   LEU  17           HA       LEU  17   1.787  -5.087   2.027
  111   1HB   LEU  17           HB2      LEU  17   0.433  -2.429   2.306
  112   2HB   LEU  17           HB1      LEU  17   1.870  -2.561   1.291
  113    HG   LEU  17           HG       LEU  17   0.684  -4.621   0.251
  114   1HD1  LEU  17          HD13      LEU  17  -1.357  -3.576   2.087
  115   2HD1  LEU  17          HD12      LEU  17  -1.945  -3.762   0.436
  116   3HD1  LEU  17          HD11      LEU  17  -1.261  -5.143   1.289
  117   1HD2  LEU  17          HD21      LEU  17   0.938  -2.075  -0.555
  118   2HD2  LEU  17          HD23      LEU  17   0.007  -3.254  -1.478
  119   3HD2  LEU  17          HD22      LEU  17  -0.818  -2.126  -0.403
  120    H    ASP  18           HN       ASP  18   2.763  -5.227   4.662
  121    HA   ASP  18           HA       ASP  18   4.551  -3.067   5.331
  122   1HB   ASP  18           HB2      ASP  18   5.701  -4.754   6.774
  123   2HB   ASP  18           HB1      ASP  18   3.952  -4.739   7.012
  124    H    SER  19           HN       SER  19   4.798  -5.857   3.233
  125    HA   SER  19           HA       SER  19   7.639  -5.773   2.782
  126   1HB   SER  19           HB2      SER  19   5.714  -7.541   2.106
  127   2HB   SER  19           HB1      SER  19   5.832  -6.665   0.582
  128    HG   SER  19           HG       SER  19   7.300  -8.478   0.816
  129    H    CYS  20           HN       CYS  20   4.927  -3.951   1.566
  130    HA   CYS  20           HA       CYS  20   6.268  -2.854  -0.759
  131   1HB   CYS  20           HB2      CYS  20   3.844  -1.784   0.694
  132   2HB   CYS  20           HB1      CYS  20   4.312  -1.466  -0.978
  133    H    ARG  21           HN       ARG  21   5.707  -1.823   2.579
  134    HA   ARG  21           HA       ARG  21   6.755   0.820   2.329
  135   1HB   ARG  21           HB2      ARG  21   5.968   0.857   4.448
  136   2HB   ARG  21           HB1      ARG  21   5.782  -0.888   4.432
  137   1HG   ARG  21           HG2      ARG  21   8.033  -1.198   5.278
  138   2HG   ARG  21           HG1      ARG  21   8.394   0.516   5.084
  139   1HD   ARG  21           HD2      ARG  21   6.751   1.098   6.788
  140   2HD   ARG  21           HD1      ARG  21   6.255  -0.590   6.926
  141    HE   ARG  21           HE       ARG  21   8.920   0.462   7.779
  142   1HH1  ARG  21          HH21      ARG  21   7.341  -2.425   7.121
  143   2HH1  ARG  21          HH22      ARG  21   7.625  -3.141   8.672
  144   1HH2  ARG  21          HH11      ARG  21   8.904  -0.240  10.077
  145   2HH2  ARG  21          HH12      ARG  21   8.509  -1.905  10.343
  146    H    TRP  22           HN       TRP  22   8.297  -2.244   3.321
  147    HA   TRP  22           HA       TRP  22  10.935  -1.094   3.483
  148   1HB   TRP  22           HB2      TRP  22   9.972  -3.937   3.546
  149   2HB   TRP  22           HB1      TRP  22  11.679  -3.577   3.380
  150    HD1  TRP  22           HD1      TRP  22   9.294  -4.130   6.001
  151    HE1  TRP  22           HE1      TRP  22  10.079  -3.028   8.222
  152    HE3  TRP  22           HE3      TRP  22  12.891  -1.209   4.156
  153    HZ2  TRP  22           HZ2      TRP  22  12.074  -1.072   9.049
  154    HZ3  TRP  22           HZ3      TRP  22  14.264   0.294   5.611
  155    HH2  TRP  22           HH2      TRP  22  13.851   0.354   8.062
  156    H    TYR  23           HN       TYR  23   9.085  -2.487   0.884
  157    HA   TYR  23           HA       TYR  23  11.299  -3.000  -0.885
  158   1HB   TYR  23           HB2      TYR  23   9.100  -4.035  -1.266
  159   2HB   TYR  23           HB1      TYR  23   8.392  -2.451  -1.566
  160    HD1  TYR  23           HD1      TYR  23  11.795  -3.488  -2.729
  161    HD2  TYR  23           HD2      TYR  23   7.687  -2.851  -3.831
  162    HE1  TYR  23           HE1      TYR  23  12.408  -3.641  -5.119
  163    HE2  TYR  23           HE2      TYR  23   8.311  -3.005  -6.222
  164    HH   TYR  23           HH       TYR  23  10.306  -2.706  -7.624
  165    H    VAL  24           HN       VAL  24   9.370  -0.148  -0.099
  166    HA   VAL  24           HA       VAL  24  10.478   1.458  -2.279
  167    HB   VAL  24           HB       VAL  24   9.164   2.378   0.298
  168   1HG1  VAL  24          HG11      VAL  24  10.561   3.801  -1.826
  169   2HG1  VAL  24          HG13      VAL  24   8.884   4.330  -1.715
  170   3HG1  VAL  24          HG12      VAL  24   9.935   4.423  -0.304
  171   1HG2  VAL  24          HG22      VAL  24   8.126   1.797  -2.478
  172   2HG2  VAL  24          HG21      VAL  24   7.509   1.206  -0.938
  173   3HG2  VAL  24          HG23      VAL  24   7.274   2.892  -1.390
  174    H    SER  25           HN       SER  25  11.167   0.930   1.185
  175    HA   SER  25           HA       SER  25  13.165   2.888   1.531
  176   1HB   SER  25           HB2      SER  25  13.684   0.222   2.753
  177   2HB   SER  25           HB1      SER  25  13.753   1.824   3.479
  178    HG   SER  25           HG       SER  25  11.764   1.567   4.088
  179    H    THR  26           HN       THR  26  13.384  -0.352   0.121
  180    HA   THR  26           HA       THR  26  16.266  -0.297  -0.247
  181    HB   THR  26           HB       THR  26  14.030  -2.118  -1.155
  182    HG1  THR  26           HG1      THR  26  16.296  -2.549   0.482
  183   1HG2  THR  26          HG22      THR  26  16.891  -2.128  -2.065
  184   2HG2  THR  26          HG21      THR  26  16.088  -3.670  -1.768
  185   3HG2  THR  26          HG23      THR  26  15.431  -2.549  -2.961
  186    H    ARG  27           HN       ARG  27  13.548  -0.082  -2.565
  187    HA   ARG  27           HA       ARG  27  15.121   0.322  -4.896
  188   1HB   ARG  27           HB2      ARG  27  12.296   1.212  -4.270
  189   2HB   ARG  27           HB1      ARG  27  13.022   1.268  -5.876
  190   1HG   ARG  27           HG2      ARG  27  12.890  -1.270  -4.239
  191   2HG   ARG  27           HG1      ARG  27  11.620  -0.800  -5.371
  192   1HD   ARG  27           HD2      ARG  27  12.951  -2.073  -6.776
  193   2HD   ARG  27           HD1      ARG  27  13.683  -0.487  -7.019
  194    HE   ARG  27           HE       ARG  27  14.829  -2.255  -4.920
  195   1HH1  ARG  27          HH11      ARG  27  15.519   0.314  -6.857
  196   2HH1  ARG  27          HH12      ARG  27  16.994  -0.311  -7.517
  197   1HH2  ARG  27          HH21      ARG  27  16.518  -3.503  -6.246
  198   2HH2  ARG  27          HH22      ARG  27  17.560  -2.473  -7.170
  199    H    THR  28           HN       THR  28  14.180   2.538  -2.395
  200    HA   THR  28           HA       THR  28  14.936   4.876  -4.024
  201    HB   THR  28           HB       THR  28  13.939   6.194  -2.178
  202    HG1  THR  28           HG1      THR  28  12.893   4.970  -0.517
  203   1HG2  THR  28          HG22      THR  28  12.247   3.855  -3.070
  204   2HG2  THR  28          HG21      THR  28  11.633   5.378  -2.429
  205   3HG2  THR  28          HG23      THR  28  12.493   5.352  -3.969
  206    H    CYS  29           HN       CYS  29  15.701   3.876  -0.622
  207    HA   CYS  29           HA       CYS  29  18.292   5.298  -0.915
  208   1HB   CYS  29           HB2      CYS  29  16.651   4.495   1.478
  209   2HB   CYS  29           HB1      CYS  29  18.337   4.994   1.637
  210    H    GLY  30           HN       GLY  30  17.498   2.363  -1.677
  211   1HA   GLY  30           HA2      GLY  30  18.577   0.263  -1.697
  212   2HA   GLY  30           HA1      GLY  30  20.052   1.172  -1.366
  213    H    VAL  31           HN       VAL  31  17.448   1.451   0.925
  214    HA   VAL  31           HA       VAL  31  19.000  -0.175   2.887
  215    HB   VAL  31           HB       VAL  31  16.920   1.985   3.377
  216   1HG1  VAL  31          HG12      VAL  31  18.634   0.279   5.183
  217   2HG1  VAL  31          HG11      VAL  31  18.035   1.851   5.714
  218   3HG1  VAL  31          HG13      VAL  31  16.897   0.576   5.275
  219   1HG2  VAL  31          HG23      VAL  31  19.553   2.295   2.512
  220   2HG2  VAL  31          HG22      VAL  31  18.587   3.519   3.331
  221   3HG2  VAL  31          HG21      VAL  31  19.670   2.486   4.261
  222    H    GLY  32           HN       GLY  32  17.637  -1.401   4.482
  223   1HA   GLY  32           HA2      GLY  32  15.194  -2.147   4.856
  224   2HA   GLY  32           HA1      GLY  32  15.251  -2.504   3.125
  225    HA   PRO  33           HA       PRO  33  16.934  -6.189   5.651
  226   1HB   PRO  33           HB2      PRO  33  15.064  -8.076   4.852
  227   2HB   PRO  33           HB1      PRO  33  14.955  -7.139   6.349
  228   1HG   PRO  33           HG2      PRO  33  13.489  -6.755   3.767
  229   2HG   PRO  33           HG1      PRO  33  12.941  -6.462   5.427
  230   1HD   PRO  33           HD2      PRO  33  13.729  -4.469   3.708
  231   2HD   PRO  33           HD1      PRO  33  13.796  -4.339   5.483
  232    H    ARG  34           HN       ARG  34  17.615  -8.403   4.490
  233    HA   ARG  34           HA       ARG  34  18.556  -7.622   1.801
  234   1HB   ARG  34           HB2      ARG  34  19.998  -9.678   2.025
  235   2HB   ARG  34           HB1      ARG  34  20.257  -8.478   3.290
  236   1HG   ARG  34           HG2      ARG  34  19.507  -9.869   4.920
  237   2HG   ARG  34           HG1      ARG  34  18.147 -10.421   3.944
  238   1HD   ARG  34           HD2      ARG  34  19.885 -12.199   4.518
  239   2HD   ARG  34           HD1      ARG  34  19.494 -12.039   2.807
  240    HE   ARG  34           HE       ARG  34  21.645 -10.927   2.477
  241   1HH1  ARG  34          HH11      ARG  34  21.269 -10.648   5.743
  242   2HH1  ARG  34          HH12      ARG  34  22.815 -11.294   6.182
  243   1HH2  ARG  34          HH21      ARG  34  23.552 -12.418   2.986
  244   2HH2  ARG  34          HH22      ARG  34  24.107 -12.297   4.622
  245    H    LEU  35           HN       LEU  35  15.941  -7.989   1.616
  246    HA   LEU  35           HA       LEU  35  15.388 -10.750   0.662
  247   1HB   LEU  35           HB2      LEU  35  13.817  -8.685   1.872
  248   2HB   LEU  35           HB1      LEU  35  13.189  -8.930   0.244
  249    HG   LEU  35           HG       LEU  35  13.533 -11.515   1.027
  250   1HD1  LEU  35          HD13      LEU  35  14.109 -10.337   3.355
  251   2HD1  LEU  35          HD12      LEU  35  12.352 -10.328   3.502
  252   3HD1  LEU  35          HD11      LEU  35  13.212 -11.853   3.289
  253   1HD2  LEU  35          HD22      LEU  35  11.491 -10.499   0.057
  254   2HD2  LEU  35          HD21      LEU  35  11.101 -11.527   1.436
  255   3HD2  LEU  35          HD23      LEU  35  11.117  -9.773   1.621
  256    H    ALA  36           HN       ALA  36  15.531 -11.184  -1.511
  257    HA   ALA  36           HA       ALA  36  16.655  -9.449  -3.385
  258   1HB   ALA  36           HB1      ALA  36  15.504 -12.071  -3.408
  259   2HB   ALA  36           HB3      ALA  36  14.927 -11.200  -4.829
  260   3HB   ALA  36           HB2      ALA  36  16.658 -11.370  -4.542
  261    H    THR  37           HN       THR  37  15.765  -8.112  -5.099
  262    HA   THR  37           HA       THR  37  13.452  -6.578  -4.424
  263    HB   THR  37           HB       THR  37  14.910  -6.772  -7.074
  264    HG1  THR  37           HG1      THR  37  16.356  -6.226  -5.512
  265   1HG2  THR  37          HG21      THR  37  12.599  -5.296  -6.288
  266   2HG2  THR  37          HG23      THR  37  13.939  -4.158  -6.427
  267   3HG2  THR  37          HG22      THR  37  13.503  -5.178  -7.797
  268    H    GLN  38           HN       GLN  38  13.871  -9.193  -6.841
  269    HA   GLN  38           HA       GLN  38  11.281  -8.872  -8.041
  270   1HB   GLN  38           HB2      GLN  38  13.235 -10.234  -8.957
  271   2HB   GLN  38           HB1      GLN  38  12.791 -11.489  -7.799
  272   1HG   GLN  38           HG2      GLN  38  11.013 -12.153  -9.035
  273   2HG   GLN  38           HG1      GLN  38  10.489 -10.497  -9.329
  274   1HE2  GLN  38          HE22      GLN  38  13.428 -11.831 -11.881
  275   2HE2  GLN  38          HE21      GLN  38  13.578 -12.131 -10.216
  276    H    GLU  39           HN       GLU  39  12.418 -10.940  -5.398
  277    HA   GLU  39           HA       GLU  39   9.908 -12.237  -4.891
  278   1HB   GLU  39           HB2      GLU  39  12.288 -11.746  -3.077
  279   2HB   GLU  39           HB1      GLU  39  10.936 -12.808  -2.684
  280   1HG   GLU  39           HG2      GLU  39  12.197 -13.271  -5.329
  281   2HG   GLU  39           HG1      GLU  39  13.196 -13.665  -3.930
  282    H    MET  40           HN       MET  40  11.265  -9.142  -3.936
  283    HA   MET  40           HA       MET  40   9.485  -8.596  -1.730
  284   1HB   MET  40           HB2      MET  40  11.703  -7.407  -2.497
  285   2HB   MET  40           HB1      MET  40  10.623  -6.462  -3.514
  286   1HG   MET  40           HG2      MET  40  10.761  -5.216  -1.506
  287   2HG   MET  40           HG1      MET  40   9.227  -6.078  -1.389
  288   1HE   MET  40           HE3      MET  40  11.864  -4.824   0.377
  289   2HE   MET  40           HE2      MET  40  10.377  -4.970   1.311
  290   3HE   MET  40           HE1      MET  40  11.853  -5.733   1.894
  291    H    LYS  41           HN       LYS  41   9.599  -7.333  -5.044
  292    HA   LYS  41           HA       LYS  41   7.098  -6.033  -5.117
  293   1HB   LYS  41           HB2      LYS  41   8.859  -5.873  -6.884
  294   2HB   LYS  41           HB1      LYS  41   8.427  -7.497  -7.415
  295   1HG   LYS  41           HG2      LYS  41   5.983  -6.100  -7.273
  296   2HG   LYS  41           HG1      LYS  41   7.117  -4.967  -8.004
  297   1HD   LYS  41           HD2      LYS  41   7.300  -7.730  -9.042
  298   2HD   LYS  41           HD1      LYS  41   5.777  -6.913  -9.389
  299   1HE   LYS  41           HE2      LYS  41   6.868  -5.136 -10.532
  300   2HE   LYS  41           HE1      LYS  41   8.446  -5.590  -9.891
  301   1HZ   LYS  41           HZ2      LYS  41   8.000  -7.796 -11.102
  302   2HZ   LYS  41           HZ1      LYS  41   6.850  -6.910 -11.986
  303   3HZ   LYS  41           HZ3      LYS  41   8.482  -6.449 -12.019
  304    H    ALA  42           HN       ALA  42   7.897  -9.435  -5.493
  305    HA   ALA  42           HA       ALA  42   5.347 -10.319  -6.506
  306   1HB   ALA  42           HB1      ALA  42   7.785 -11.504  -6.167
  307   2HB   ALA  42           HB3      ALA  42   6.875 -12.217  -4.835
  308   3HB   ALA  42           HB2      ALA  42   6.295 -12.389  -6.492
  309    H    ARG  43           HN       ARG  43   6.745 -10.024  -3.263
  310    HA   ARG  43           HA       ARG  43   4.582 -11.213  -1.810
  311   1HB   ARG  43           HB2      ARG  43   7.011  -9.693  -1.198
  312   2HB   ARG  43           HB1      ARG  43   5.687  -9.298  -0.103
  313   1HG   ARG  43           HG2      ARG  43   6.946 -11.180   0.808
  314   2HG   ARG  43           HG1      ARG  43   5.348 -11.737   0.308
  315   1HD   ARG  43           HD2      ARG  43   6.231 -12.657  -1.740
  316   2HD   ARG  43           HD1      ARG  43   7.808 -11.929  -1.443
  317    HE   ARG  43           HE       ARG  43   7.440 -13.528   0.768
  318   1HH1  ARG  43          HH21      ARG  43   8.573 -13.822  -2.345
  319   2HH1  ARG  43          HH22      ARG  43   8.447 -15.547  -2.433
  320   1HH2  ARG  43          HH11      ARG  43   6.686 -15.837   0.541
  321   2HH2  ARG  43          HH12      ARG  43   7.380 -16.688  -0.800
  322    H    CYS  44           HN       CYS  44   5.202  -7.900  -2.914
  323    HA   CYS  44           HA       CYS  44   2.964  -6.725  -1.505
  324   1HB   CYS  44           HB2      CYS  44   4.710  -5.799  -3.754
  325   2HB   CYS  44           HB1      CYS  44   3.239  -4.921  -3.310
  326    H    CYS  45           HN       CYS  45   3.380  -8.178  -4.733
  327    HA   CYS  45           HA       CYS  45   0.796  -7.269  -5.728
  328   1HB   CYS  45           HB2      CYS  45   2.784  -9.344  -6.653
  329   2HB   CYS  45           HB1      CYS  45   1.202  -9.211  -7.405
  330    H    ARG  46           HN       ARG  46   1.958 -10.000  -3.870
  331    HA   ARG  46           HA       ARG  46  -0.451 -11.599  -4.206
  332   1HB   ARG  46           HB2      ARG  46   1.973 -12.337  -3.557
  333   2HB   ARG  46           HB1      ARG  46   1.487 -11.934  -1.926
  334   1HG   ARG  46           HG2      ARG  46  -0.468 -13.424  -2.118
  335   2HG   ARG  46           HG1      ARG  46   0.038 -13.869  -3.749
  336   1HD   ARG  46           HD2      ARG  46   1.792 -14.238  -1.307
  337   2HD   ARG  46           HD1      ARG  46   0.741 -15.502  -1.947
  338    HE   ARG  46           HE       ARG  46   2.373 -14.518  -4.072
  339   1HH1  ARG  46          HH21      ARG  46   1.972 -17.417  -3.222
  340   2HH1  ARG  46          HH22      ARG  46   3.584 -17.860  -2.768
  341   1HH2  ARG  46          HH11      ARG  46   4.716 -14.589  -2.580
  342   2HH2  ARG  46          HH12      ARG  46   5.136 -16.260  -2.405
  343    H    GLN  47           HN       GLN  47   0.786  -9.271  -1.824
  344    HA   GLN  47           HA       GLN  47  -1.408  -9.793   0.059
  345   1HB   GLN  47           HB2      GLN  47   0.681  -7.595  -0.073
  346   2HB   GLN  47           HB1      GLN  47  -0.528  -7.714   1.206
  347   1HG   GLN  47           HG2      GLN  47   0.507 -10.283   1.106
  348   2HG   GLN  47           HG1      GLN  47   1.924  -9.278   0.797
  349   1HE2  GLN  47          HE22      GLN  47   2.168  -8.215   4.141
  350   2HE2  GLN  47          HE21      GLN  47   2.883  -8.305   2.605
  351    H    LEU  48           HN       LEU  48  -0.637  -7.329  -2.339
  352    HA   LEU  48           HA       LEU  48  -2.884  -5.647  -1.872
  353   1HB   LEU  48           HB2      LEU  48  -0.915  -4.839  -3.105
  354   2HB   LEU  48           HB1      LEU  48  -1.203  -6.010  -4.385
  355    HG   LEU  48           HG       LEU  48  -3.536  -4.314  -3.750
  356   1HD1  LEU  48          HD12      LEU  48  -0.887  -3.140  -4.373
  357   2HD1  LEU  48          HD11      LEU  48  -2.219  -2.569  -5.378
  358   3HD1  LEU  48          HD13      LEU  48  -2.301  -2.399  -3.624
  359   1HD2  LEU  48          HD22      LEU  48  -2.110  -5.421  -6.150
  360   2HD2  LEU  48          HD21      LEU  48  -3.801  -5.595  -5.680
  361   3HD2  LEU  48          HD23      LEU  48  -3.229  -4.076  -6.369
  362    H    GLU  49           HN       GLU  49  -2.333  -8.355  -4.168
  363    HA   GLU  49           HA       GLU  49  -5.008  -8.170  -5.296
  364   1HB   GLU  49           HB2      GLU  49  -2.762  -9.522  -6.030
  365   2HB   GLU  49           HB1      GLU  49  -3.631 -10.823  -5.219
  366   1HG   GLU  49           HG2      GLU  49  -5.468  -9.341  -6.884
  367   2HG   GLU  49           HG1      GLU  49  -4.064  -9.809  -7.839
  368    H    ALA  50           HN       ALA  50  -3.545  -9.682  -2.454
  369    HA   ALA  50           HA       ALA  50  -5.499 -11.593  -1.742
  370   1HB   ALA  50           HB2      ALA  50  -3.305 -10.222  -0.450
  371   2HB   ALA  50           HB1      ALA  50  -4.667 -10.355   0.661
  372   3HB   ALA  50           HB3      ALA  50  -3.990 -11.802  -0.083
  373    H    ILE  51           HN       ILE  51  -5.303  -8.205  -0.516
  374    HA   ILE  51           HA       ILE  51  -7.908  -8.149   0.674
  375    HB   ILE  51           HB       ILE  51  -6.407  -5.829  -0.585
  376   1HG1  ILE  51          HG12      ILE  51  -6.175  -5.938   2.283
  377   2HG1  ILE  51          HG11      ILE  51  -5.695  -7.506   1.637
  378   1HG2  ILE  51          HG23      ILE  51  -8.872  -5.571   0.076
  379   2HG2  ILE  51          HG22      ILE  51  -8.338  -5.788   1.742
  380   3HG2  ILE  51          HG21      ILE  51  -7.745  -4.423   0.797
  381   1HD1  ILE  51          HD11      ILE  51  -4.441  -5.835  -0.115
  382   2HD1  ILE  51          HD13      ILE  51  -4.384  -4.869   1.359
  383   3HD1  ILE  51          HD12      ILE  51  -3.681  -6.485   1.336
  384    HA   PRO  52           HA       PRO  52  -9.834  -8.776  -3.391
  385   1HB   PRO  52           HB2      PRO  52 -12.462  -8.589  -2.489
  386   2HB   PRO  52           HB1      PRO  52 -11.485 -10.068  -2.539
  387   1HG   PRO  52           HG2      PRO  52 -12.046  -8.255  -0.199
  388   2HG   PRO  52           HG1      PRO  52 -11.906 -10.024  -0.238
  389   1HD   PRO  52           HD2      PRO  52  -9.867  -8.452   0.671
  390   2HD   PRO  52           HD1      PRO  52  -9.559  -9.978  -0.192
  391    H    ALA  53           HN       ALA  53 -10.636  -7.522  -4.959
  392    HA   ALA  53           HA       ALA  53 -10.075  -5.025  -5.498
  393   1HB   ALA  53           HB1      ALA  53 -11.687  -6.672  -6.735
  394   2HB   ALA  53           HB3      ALA  53 -12.937  -5.620  -6.068
  395   3HB   ALA  53           HB2      ALA  53 -11.689  -4.950  -7.120
  396    H    TYR  54           HN       TYR  54 -13.026  -5.617  -3.537
  397    HA   TYR  54           HA       TYR  54 -13.720  -2.849  -3.231
  398   1HB   TYR  54           HB2      TYR  54 -14.380  -5.392  -1.795
  399   2HB   TYR  54           HB1      TYR  54 -14.739  -3.868  -0.981
  400    HD1  TYR  54           HD2      TYR  54 -15.971  -2.055  -2.431
  401    HD2  TYR  54           HD1      TYR  54 -15.914  -6.253  -3.344
  402    HE1  TYR  54           HE2      TYR  54 -17.990  -1.777  -3.843
  403    HE2  TYR  54           HE1      TYR  54 -17.933  -5.972  -4.756
  404    HH   TYR  54           HH       TYR  54 -19.851  -3.179  -4.685
  405    H    CYS  55           HN       CYS  55 -12.970  -1.309  -1.769
  406    HA   CYS  55           HA       CYS  55 -11.547  -0.290  -0.187
  407   1HB   CYS  55           HB2      CYS  55 -11.799  -3.099   0.904
  408   2HB   CYS  55           HB1      CYS  55 -10.714  -1.939   1.660
  409    H    ARG  56           HN       ARG  56 -10.441  -1.795  -2.742
  410    HA   ARG  56           HA       ARG  56  -8.014  -3.081  -2.383
  411   1HB   ARG  56           HB2      ARG  56  -9.051  -1.193  -4.453
  412   2HB   ARG  56           HB1      ARG  56  -7.322  -1.525  -4.478
  413   1HG   ARG  56           HG2      ARG  56  -8.743  -4.005  -4.118
  414   2HG   ARG  56           HG1      ARG  56  -9.429  -3.143  -5.493
  415   1HD   ARG  56           HD2      ARG  56  -7.531  -3.366  -6.750
  416   2HD   ARG  56           HD1      ARG  56  -6.468  -3.173  -5.359
  417    HE   ARG  56           HE       ARG  56  -7.308  -5.697  -6.454
  418   1HH1  ARG  56          HH21      ARG  56  -6.642  -4.033  -3.465
  419   2HH1  ARG  56          HH22      ARG  56  -6.379  -5.491  -2.594
  420   1HH2  ARG  56          HH11      ARG  56  -7.054  -7.543  -5.367
  421   2HH2  ARG  56          HH12      ARG  56  -6.595  -7.538  -3.705
  422    H    CYS  57           HN       CYS  57  -7.438   0.240  -3.500
  423    HA   CYS  57           HA       CYS  57  -5.012   0.713  -2.360
  424   1HB   CYS  57           HB2      CYS  57  -7.276   2.689  -2.610
  425   2HB   CYS  57           HB1      CYS  57  -5.584   3.132  -2.359
  426    H    GLU  58           HN       GLU  58  -7.926   0.576  -0.280
  427    HA   GLU  58           HA       GLU  58  -7.393   2.146   1.876
  428   1HB   GLU  58           HB2      GLU  58  -8.192  -0.766   1.881
  429   2HB   GLU  58           HB1      GLU  58  -8.210   0.237   3.329
  430   1HG   GLU  58           HG2      GLU  58  -9.526   1.521   1.036
  431   2HG   GLU  58           HG1      GLU  58 -10.294   0.011   1.514
  432    H    ALA  59           HN       ALA  59  -5.702  -1.007   1.372
  433    HA   ALA  59           HA       ALA  59  -4.148  -1.180   3.648
  434   1HB   ALA  59           HB2      ALA  59  -3.840  -2.025   0.857
  435   2HB   ALA  59           HB1      ALA  59  -2.314  -1.880   1.728
  436   3HB   ALA  59           HB3      ALA  59  -3.582  -2.941   2.341
  437    H    VAL  60           HN       VAL  60  -3.045   0.521   0.727
  438    HA   VAL  60           HA       VAL  60  -0.660   1.635   1.656
  439    HB   VAL  60           HB       VAL  60  -2.685   3.047  -0.106
  440   1HG1  VAL  60          HG11      VAL  60   0.262   3.379   0.433
  441   2HG1  VAL  60          HG13      VAL  60  -0.430   3.880  -1.111
  442   3HG1  VAL  60          HG12      VAL  60  -0.998   4.612   0.390
  443   1HG2  VAL  60          HG22      VAL  60  -0.785   0.779  -0.568
  444   2HG2  VAL  60          HG21      VAL  60  -2.385   1.056  -1.256
  445   3HG2  VAL  60          HG23      VAL  60  -0.997   1.961  -1.858
  446    H    ARG  61           HN       ARG  61  -3.962   2.874   2.081
  447    HA   ARG  61           HA       ARG  61  -3.315   5.315   3.412
  448   1HB   ARG  61           HB2      ARG  61  -5.745   3.553   3.856
  449   2HB   ARG  61           HB1      ARG  61  -5.607   5.255   4.283
  450   1HG   ARG  61           HG2      ARG  61  -4.922   5.419   1.686
  451   2HG   ARG  61           HG1      ARG  61  -5.965   3.999   1.610
  452   1HD   ARG  61           HD2      ARG  61  -7.233   6.111   1.257
  453   2HD   ARG  61           HD1      ARG  61  -7.782   5.237   2.687
  454    HE   ARG  61           HE       ARG  61  -6.847   6.957   4.056
  455   1HH1  ARG  61          HH21      ARG  61  -4.251   7.495   2.890
  456   2HH1  ARG  61          HH22      ARG  61  -4.456   9.019   2.095
  457   1HH2  ARG  61          HH11      ARG  61  -7.920   8.852   2.095
  458   2HH2  ARG  61          HH12      ARG  61  -6.534   9.789   1.645
  459    H    ILE  62           HN       ILE  62  -4.492   2.307   4.953
  460    HA   ILE  62           HA       ILE  62  -3.993   2.887   7.619
  461    HB   ILE  62           HB       ILE  62  -3.627   0.271   6.121
  462   1HG1  ILE  62          HG12      ILE  62  -5.871   1.195   5.918
  463   2HG1  ILE  62          HG11      ILE  62  -5.914  -0.204   6.986
  464   1HG2  ILE  62          HG23      ILE  62  -3.437   0.911   9.027
  465   2HG2  ILE  62          HG22      ILE  62  -4.285  -0.569   8.577
  466   3HG2  ILE  62          HG21      ILE  62  -2.607  -0.331   8.090
  467   1HD1  ILE  62          HD11      ILE  62  -5.403   2.019   8.657
  468   2HD1  ILE  62          HD13      ILE  62  -6.669   2.533   7.545
  469   3HD1  ILE  62          HD12      ILE  62  -6.899   1.097   8.541
  470    H    LEU  63           HN       LEU  63  -1.576   2.170   5.162
  471    HA   LEU  63           HA       LEU  63   0.487   1.688   7.151
  472   1HB   LEU  63           HB2      LEU  63   0.559   0.710   4.833
  473   2HB   LEU  63           HB1      LEU  63   0.835   2.327   4.206
  474    HG   LEU  63           HG       LEU  63   2.903   0.844   4.528
  475   1HD1  LEU  63          HD13      LEU  63   2.664   3.489   4.491
  476   2HD1  LEU  63          HD12      LEU  63   3.243   3.322   6.148
  477   3HD1  LEU  63          HD11      LEU  63   4.216   2.712   4.810
  478   1HD2  LEU  63          HD22      LEU  63   2.247  -0.029   6.781
  479   2HD2  LEU  63          HD21      LEU  63   3.850   0.709   6.774
  480   3HD2  LEU  63          HD23      LEU  63   2.474   1.591   7.439
  481    H    MET  64           HN       MET  64  -0.418   4.434   5.095
  482    HA   MET  64           HA       MET  64   1.697   6.120   6.188
  483   1HB   MET  64           HB2      MET  64   0.592   6.366   3.883
  484   2HB   MET  64           HB1      MET  64  -0.783   7.088   4.726
  485   1HG   MET  64           HG2      MET  64   1.895   8.147   5.457
  486   2HG   MET  64           HG1      MET  64   1.326   8.534   3.833
  487   1HE   MET  64           HE3      MET  64   2.147  10.007   6.247
  488   2HE   MET  64           HE2      MET  64   1.117  11.437   6.277
  489   3HE   MET  64           HE1      MET  64   0.967  10.225   7.547
  490    H    ASP  65           HN       ASP  65  -1.873   6.132   6.529
  491    HA   ASP  65           HA       ASP  65  -1.752   8.062   8.701
  492   1HB   ASP  65           HB2      ASP  65  -4.093   6.672   7.335
  493   2HB   ASP  65           HB1      ASP  65  -4.291   7.593   8.826
  494    H    GLY  66           HN       GLY  66  -1.721   4.578   8.491
  495   1HA   GLY  66           HA2      GLY  66  -1.330   3.090  10.308
  496   2HA   GLY  66           HA1      GLY  66  -1.556   4.436  11.423
  497    H    VAL  67           HN       VAL  67  -2.743   1.790  11.595
  498    HA   VAL  67           HA       VAL  67  -5.657   2.440  11.340
  499    HB   VAL  67           HB       VAL  67  -5.162   0.562   9.939
  500   1HG1  VAL  67          HG11      VAL  67  -3.649  -0.488  12.328
  501   2HG1  VAL  67          HG13      VAL  67  -4.074  -1.504  10.950
  502   3HG1  VAL  67          HG12      VAL  67  -3.010  -0.115  10.727
  503   1HG2  VAL  67          HG23      VAL  67  -7.192   0.358  11.407
  504   2HG2  VAL  67          HG22      VAL  67  -6.537  -1.187  10.865
  505   3HG2  VAL  67          HG21      VAL  67  -6.224  -0.623  12.507
  506    H    VAL  68           HN       VAL  68  -7.030   1.575  13.034
  507    HA   VAL  68           HA       VAL  68  -5.613   1.303  15.642
  508    HB   VAL  68           HB       VAL  68  -8.271   2.617  14.995
  509   1HG1  VAL  68          HG11      VAL  68  -7.048   2.034  17.718
  510   2HG1  VAL  68          HG13      VAL  68  -8.491   3.008  17.435
  511   3HG1  VAL  68          HG12      VAL  68  -8.505   1.283  17.071
  512   1HG2  VAL  68          HG21      VAL  68  -5.537   3.488  15.811
  513   2HG2  VAL  68          HG23      VAL  68  -6.686   4.273  14.728
  514   3HG2  VAL  68          HG22      VAL  68  -6.902   4.385  16.475
  515    H    THR  69           HN       THR  69  -6.648  -0.064  17.174
  516    HA   THR  69           HA       THR  69  -8.178  -2.298  15.953
  517    HB   THR  69           HB       THR  69  -7.040  -3.699  17.741
  518    HG1  THR  69           HG1      THR  69  -5.586  -2.783  18.966
  519   1HG2  THR  69          HG21      THR  69  -5.387  -2.301  15.627
  520   2HG2  THR  69          HG23      THR  69  -4.864  -3.746  16.492
  521   3HG2  THR  69          HG22      THR  69  -6.283  -3.809  15.447
  522    H    SER  70           HN       SER  70  -9.567  -3.447  17.423
  523    HA   SER  70           HA       SER  70 -11.363  -1.776  18.844
  524   1HB   SER  70           HB2      SER  70 -11.994  -3.945  17.833
  525   2HB   SER  70           HB1      SER  70 -11.007  -4.774  19.034
  526    HG   SER  70           HG       SER  70 -13.398  -4.432  19.419
  527    H    SER  71           HN       SER  71  -8.659  -3.685  19.871
  528    HA   SER  71           HA       SER  71  -9.118  -3.633  22.700
  529   1HB   SER  71           HB2      SER  71  -6.560  -3.996  22.752
  530   2HB   SER  71           HB1      SER  71  -7.539  -5.219  21.948
  531    HG   SER  71           HG       SER  71  -6.818  -4.563  20.040
  532    H    GLY  72           HN       GLY  72  -8.036  -1.199  20.488
  533   1HA   GLY  72           HA2      GLY  72  -7.989   1.161  21.162
  534   2HA   GLY  72           HA1      GLY  72  -7.504   0.627  22.774
  535    H    GLN  73           HN       GLN  73  -5.897  -1.078  20.206
  536    HA   GLN  73           HA       GLN  73  -3.408   0.485  20.795
  537   1HB   GLN  73           HB2      GLN  73  -3.644  -2.285  19.590
  538   2HB   GLN  73           HB1      GLN  73  -2.179  -1.508  20.186
  539   1HG   GLN  73           HG2      GLN  73  -4.175  -1.468  22.270
  540   2HG   GLN  73           HG1      GLN  73  -4.017  -3.112  21.654
  541   1HE2  GLN  73          HE22      GLN  73  -0.697  -3.542  22.870
  542   2HE2  GLN  73          HE21      GLN  73  -1.871  -4.139  21.800
  543    H    HIS  74           HN       HIS  74  -1.940   0.920  18.953
  544    HA   HIS  74           HA       HIS  74  -3.415   1.134  16.358
  545   1HB   HIS  74           HB2      HIS  74  -1.315   2.866  17.654
  546   2HB   HIS  74           HB1      HIS  74  -1.678   2.969  15.951
  547    HD1  HIS  74           HD1      HIS  74  -2.837   5.223  15.898
  548    HD2  HIS  74           HD2      HIS  74  -4.480   2.656  18.739
  549    HE1  HIS  74           HE1      HIS  74  -4.925   6.360  16.769
  550    H    GLU  75           HN       GLU  75  -2.136   0.764  14.450
  551    HA   GLU  75           HA       GLU  75   0.532  -0.464  14.801
  552   1HB   GLU  75           HB2      GLU  75  -1.705  -1.781  13.240
  553   2HB   GLU  75           HB1      GLU  75  -0.044  -2.360  13.365
  554   1HG   GLU  75           HG2      GLU  75  -0.941  -1.977  16.025
  555   2HG   GLU  75           HG1      GLU  75  -2.250  -2.797  15.181
  556    H    GLY  76           HN       GLY  76   1.198  -1.157  12.338
  557   1HA   GLY  76           HA2      GLY  76   1.987  -0.284  10.312
  558   2HA   GLY  76           HA1      GLY  76   0.386   0.444  10.148
  559    H    ARG  77           HN       ARG  77   0.976   2.468   9.445
  560    HA   ARG  77           HA       ARG  77   1.784   4.672   9.542
  561   1HB   ARG  77           HB2      ARG  77   0.505   4.146  11.881
  562   2HB   ARG  77           HB1      ARG  77   2.102   4.582  12.489
  563   1HG   ARG  77           HG2      ARG  77   1.983   6.644  11.014
  564   2HG   ARG  77           HG1      ARG  77   0.291   6.243  10.721
  565   1HD   ARG  77           HD2      ARG  77   0.491   7.856  12.572
  566   2HD   ARG  77           HD1      ARG  77  -0.145   6.317  13.152
  567    HE   ARG  77           HE       ARG  77   2.703   6.308  13.421
  568   1HH1  ARG  77          HH11      ARG  77   0.319   5.805  15.417
  569   2HH1  ARG  77          HH12      ARG  77   0.758   6.919  16.668
  570   1HH2  ARG  77          HH21      ARG  77   3.082   8.601  14.720
  571   2HH2  ARG  77          HH22      ARG  77   2.323   8.501  16.273
  572    H    LEU  78           HN       LEU  78   3.784   2.355   9.559
  573    HA   LEU  78           HA       LEU  78   6.056   3.286  11.128
  574   1HB   LEU  78           HB2      LEU  78   5.965   1.256   8.876
  575   2HB   LEU  78           HB1      LEU  78   7.272   1.462  10.043
  576    HG   LEU  78           HG       LEU  78   4.594   1.100  11.249
  577   1HD1  LEU  78          HD11      LEU  78   5.804  -0.917   9.395
  578   2HD1  LEU  78          HD13      LEU  78   5.007  -1.488  10.862
  579   3HD1  LEU  78          HD12      LEU  78   4.106  -0.535   9.681
  580   1HD2  LEU  78          HD22      LEU  78   7.435   0.457  11.759
  581   2HD2  LEU  78          HD21      LEU  78   6.153   0.877  12.896
  582   3HD2  LEU  78          HD23      LEU  78   6.299  -0.777  12.302
  583    H    LEU  79           HN       LEU  79   4.769   4.024   7.984
  584    HA   LEU  79           HA       LEU  79   7.040   4.706   6.483
  585   1HB   LEU  79           HB2      LEU  79   4.461   4.854   5.949
  586   2HB   LEU  79           HB1      LEU  79   4.656   6.526   6.464
  587    HG   LEU  79           HG       LEU  79   6.690   6.560   4.856
  588   1HD1  LEU  79          HD12      LEU  79   6.541   4.006   4.598
  589   2HD1  LEU  79          HD11      LEU  79   5.152   4.306   3.554
  590   3HD1  LEU  79          HD13      LEU  79   6.738   4.939   3.115
  591   1HD2  LEU  79          HD22      LEU  79   4.032   7.272   4.572
  592   2HD2  LEU  79          HD21      LEU  79   5.314   7.683   3.436
  593   3HD2  LEU  79          HD23      LEU  79   4.305   6.265   3.150
  594    H    GLN  80           HN       GLN  80   8.689   5.641   7.694
  595    HA   GLN  80           HA       GLN  80   8.220   8.458   8.574
  596   1HB   GLN  80           HB2      GLN  80   9.879   6.377  10.039
  597   2HB   GLN  80           HB1      GLN  80   9.715   8.073  10.499
  598   1HG   GLN  80           HG2      GLN  80   7.456   7.822  11.100
  599   2HG   GLN  80           HG1      GLN  80   7.276   6.337  10.165
  600   1HE2  GLN  80          HE22      GLN  80   8.376   6.098  14.023
  601   2HE2  GLN  80          HE21      GLN  80   7.847   7.544  13.307
  602    H    ASP  81           HN       ASP  81  10.439   9.546   8.901
  603    HA   ASP  81           HA       ASP  81  11.841   9.448   6.404
  604   1HB   ASP  81           HB2      ASP  81  12.551  10.812   9.025
  605   2HB   ASP  81           HB1      ASP  81  13.394  11.064   7.492
  606    H    LEU  82           HN       LEU  82  12.925   7.644   5.951
  607    HA   LEU  82           HA       LEU  82  14.564   6.167   7.867
  608   1HB   LEU  82           HB2      LEU  82  13.910   5.961   4.929
  609   2HB   LEU  82           HB1      LEU  82  15.227   5.009   5.585
  610    HG   LEU  82           HG       LEU  82  12.437   5.011   6.759
  611   1HD1  LEU  82          HD11      LEU  82  13.462   3.699   4.362
  612   2HD1  LEU  82          HD13      LEU  82  12.906   2.525   5.555
  613   3HD1  LEU  82          HD12      LEU  82  11.811   3.778   4.975
  614   1HD2  LEU  82          HD22      LEU  82  14.785   4.192   7.888
  615   2HD2  LEU  82          HD21      LEU  82  13.220   3.469   8.257
  616   3HD2  LEU  82          HD23      LEU  82  14.285   2.711   7.073
  617    HA   PRO  83           HA       PRO  83  18.343   8.305   7.156
  618   1HB   PRO  83           HB2      PRO  83  20.210   6.377   6.495
  619   2HB   PRO  83           HB1      PRO  83  19.636   6.694   8.141
  620   1HG   PRO  83           HG2      PRO  83  18.888   4.472   6.278
  621   2HG   PRO  83           HG1      PRO  83  18.979   4.473   8.049
  622   1HD   PRO  83           HD2      PRO  83  16.615   4.632   6.617
  623   2HD   PRO  83           HD1      PRO  83  16.799   5.201   8.283
  624    H    GLY  84           HN       GLY  84  17.928   9.572   5.414
  625   1HA   GLY  84           HA2      GLY  84  18.762  10.404   3.326
  626   2HA   GLY  84           HA1      GLY  84  19.089   8.751   2.796
  627    H    CYS  85           HN       CYS  85  16.085   8.311   4.059
  628    HA   CYS  85           HA       CYS  85  14.731   9.211   1.561
  629   1HB   CYS  85           HB2      CYS  85  14.587   6.610   3.021
  630   2HB   CYS  85           HB1      CYS  85  13.161   7.180   2.160
  631    HA   PRO  86           HA       PRO  86  12.529  11.239   5.063
  632   1HB   PRO  86           HB2      PRO  86  11.660  13.406   3.588
  633   2HB   PRO  86           HB1      PRO  86  13.205  13.348   4.423
  634   1HG   PRO  86           HG2      PRO  86  12.634  13.083   1.519
  635   2HG   PRO  86           HG1      PRO  86  14.103  13.666   2.319
  636   1HD   PRO  86           HD2      PRO  86  13.779  11.135   1.162
  637   2HD   PRO  86           HD1      PRO  86  15.054  11.573   2.320
  638    H    ARG  87           HN       ARG  87  10.172  11.813   5.311
  639    HA   ARG  87           HA       ARG  87   8.309  10.015   4.315
  640   1HB   ARG  87           HB2      ARG  87   7.853  12.946   4.931
  641   2HB   ARG  87           HB1      ARG  87   6.603  11.717   4.843
  642   1HG   ARG  87           HG2      ARG  87   8.683  10.814   6.611
  643   2HG   ARG  87           HG1      ARG  87   8.189  12.438   7.080
  644   1HD   ARG  87           HD2      ARG  87   6.345  10.059   6.694
  645   2HD   ARG  87           HD1      ARG  87   6.798  10.782   8.237
  646    HE   ARG  87           HE       ARG  87   5.441  12.517   6.247
  647   1HH1  ARG  87          HH21      ARG  87   4.476  10.127   8.349
  648   2HH1  ARG  87          HH22      ARG  87   3.478  11.136   9.342
  649   1HH2  ARG  87          HH11      ARG  87   4.559  14.092   7.886
  650   2HH2  ARG  87          HH12      ARG  87   3.525  13.380   9.079
  651    H    GLN  88           HN       GLN  88   9.606  12.903   2.817
  652    HA   GLN  88           HA       GLN  88   7.702  13.465   0.815
  653   1HB   GLN  88           HB2      GLN  88   9.766  14.799   1.317
  654   2HB   GLN  88           HB1      GLN  88  10.702  13.588   0.439
  655   1HG   GLN  88           HG2      GLN  88   9.737  14.137  -1.618
  656   2HG   GLN  88           HG1      GLN  88   8.310  14.853  -0.869
  657   1HE2  GLN  88          HE22      GLN  88  11.770  17.091  -0.960
  658   2HE2  GLN  88          HE21      GLN  88  11.886  15.398  -0.924
  659    H    VAL  89           HN       VAL  89  10.566  11.309   0.413
  660    HA   VAL  89           HA       VAL  89   9.968  10.458  -2.220
  661    HB   VAL  89           HB       VAL  89  11.451   9.045   0.010
  662   1HG1  VAL  89          HG13      VAL  89  10.802   7.593  -1.950
  663   2HG1  VAL  89          HG12      VAL  89  11.706   8.696  -2.988
  664   3HG1  VAL  89          HG11      VAL  89  12.543   7.775  -1.739
  665   1HG2  VAL  89          HG21      VAL  89  12.038  11.452  -0.905
  666   2HG2  VAL  89          HG23      VAL  89  13.292  10.263  -0.560
  667   3HG2  VAL  89          HG22      VAL  89  12.747  10.513  -2.217
  668    H    GLN  90           HN       GLN  90   9.081   9.116   0.924
  669    HA   GLN  90           HA       GLN  90   7.765   6.761  -0.064
  670   1HB   GLN  90           HB2      GLN  90   7.415   8.340   2.500
  671   2HB   GLN  90           HB1      GLN  90   6.593   6.812   2.181
  672   1HG   GLN  90           HG2      GLN  90   8.476   5.999   3.239
  673   2HG   GLN  90           HG1      GLN  90   9.077   6.032   1.580
  674   1HE2  GLN  90          HE22      GLN  90  11.583   8.366   2.349
  675   2HE2  GLN  90          HE21      GLN  90  11.008   7.158   1.311
  676    H    ARG  91           HN       ARG  91   6.815  10.110   0.196
  677    HA   ARG  91           HA       ARG  91   3.959   9.613  -0.142
  678   1HB   ARG  91           HB2      ARG  91   5.545  11.818   0.616
  679   2HB   ARG  91           HB1      ARG  91   4.775  12.298  -0.896
  680   1HG   ARG  91           HG2      ARG  91   3.308  12.903   0.945
  681   2HG   ARG  91           HG1      ARG  91   2.575  11.567   0.058
  682   1HD   ARG  91           HD2      ARG  91   3.399   9.967   1.714
  683   2HD   ARG  91           HD1      ARG  91   4.240  11.256   2.573
  684    HE   ARG  91           HE       ARG  91   1.263  11.036   2.388
  685   1HH1  ARG  91          HH11      ARG  91   3.736  10.814   4.554
  686   2HH1  ARG  91          HH12      ARG  91   3.171  12.039   5.640
  687   1HH2  ARG  91          HH21      ARG  91   0.712  13.190   3.485
  688   2HH2  ARG  91          HH22      ARG  91   1.459  13.383   5.035
  689    H    ALA  92           HN       ALA  92   6.711  10.180  -2.244
  690    HA   ALA  92           HA       ALA  92   5.116  10.782  -4.611
  691   1HB   ALA  92           HB1      ALA  92   7.903  10.746  -3.894
  692   2HB   ALA  92           HB3      ALA  92   7.681   9.816  -5.376
  693   3HB   ALA  92           HB2      ALA  92   7.138  11.491  -5.296
  694    H    PHE  93           HN       PHE  93   6.932   7.919  -3.494
  695    HA   PHE  93           HA       PHE  93   6.003   6.242  -5.680
  696   1HB   PHE  93           HB2      PHE  93   8.191   5.830  -4.659
  697   2HB   PHE  93           HB1      PHE  93   7.433   5.544  -3.095
  698    HD1  PHE  93           HD1      PHE  93   5.922   3.562  -2.782
  699    HD2  PHE  93           HD2      PHE  93   8.242   4.133  -6.348
  700    HE1  PHE  93           HE1      PHE  93   5.588   1.181  -3.377
  701    HE2  PHE  93           HE2      PHE  93   7.911   1.750  -6.945
  702    HZ   PHE  93           HZ       PHE  93   6.586   0.272  -5.461
  703    H    ALA  94           HN       ALA  94   4.863   6.977  -2.463
  704    HA   ALA  94           HA       ALA  94   3.393   4.696  -1.806
  705   1HB   ALA  94           HB3      ALA  94   3.166   7.583  -1.154
  706   2HB   ALA  94           HB2      ALA  94   1.736   6.601  -0.839
  707   3HB   ALA  94           HB1      ALA  94   3.274   6.189  -0.081
  708    HA   PRO  95           HA       PRO  95  -0.452   6.332  -4.190
  709   1HB   PRO  95           HB2      PRO  95  -0.055   8.325  -6.051
  710   2HB   PRO  95           HB1      PRO  95  -0.564   8.608  -4.377
  711   1HG   PRO  95           HG2      PRO  95   2.123   9.005  -5.619
  712   2HG   PRO  95           HG1      PRO  95   1.372   9.868  -4.266
  713   1HD   PRO  95           HD2      PRO  95   3.325   7.888  -4.007
  714   2HD   PRO  95           HD1      PRO  95   2.229   8.401  -2.709
  715    H    LYS  96           HN       LYS  96   2.635   5.738  -5.532
  716    HA   LYS  96           HA       LYS  96   1.631   4.889  -8.172
  717   1HB   LYS  96           HB2      LYS  96   4.411   4.616  -6.985
  718   2HB   LYS  96           HB1      LYS  96   3.966   4.399  -8.677
  719   1HG   LYS  96           HG2      LYS  96   3.164   6.990  -7.483
  720   2HG   LYS  96           HG1      LYS  96   4.900   6.743  -7.653
  721   1HD   LYS  96           HD2      LYS  96   4.773   7.154  -9.860
  722   2HD   LYS  96           HD1      LYS  96   3.622   5.834 -10.062
  723   1HE   LYS  96           HE2      LYS  96   2.623   8.418  -8.927
  724   2HE   LYS  96           HE1      LYS  96   2.946   8.334 -10.658
  725   1HZ   LYS  96           HZ3      LYS  96   1.607   6.135 -10.470
  726   2HZ   LYS  96           HZ2      LYS  96   0.985   6.845  -9.057
  727   3HZ   LYS  96           HZ1      LYS  96   0.788   7.617 -10.559
  728    H    LEU  97           HN       LEU  97   1.049   3.571  -5.371
  729    HA   LEU  97           HA       LEU  97   2.208   0.921  -5.513
  730   1HB   LEU  97           HB2      LEU  97   0.820   2.390  -3.600
  731   2HB   LEU  97           HB1      LEU  97  -0.319   1.119  -4.036
  732    HG   LEU  97           HG       LEU  97   2.360   0.018  -3.767
  733   1HD1  LEU  97          HD13      LEU  97   1.247   1.548  -1.399
  734   2HD1  LEU  97          HD12      LEU  97   2.527   0.340  -1.287
  735   3HD1  LEU  97          HD11      LEU  97   2.791   1.823  -2.203
  736   1HD2  LEU  97          HD21      LEU  97  -0.069  -0.991  -3.578
  737   2HD2  LEU  97          HD23      LEU  97   1.234  -1.648  -2.587
  738   3HD2  LEU  97          HD22      LEU  97   0.078  -0.515  -1.886
  739    H    VAL  98           HN       VAL  98  -1.318   1.723  -5.696
  740    HA   VAL  98           HA       VAL  98  -1.904  -0.686  -7.175
  741    HB   VAL  98           HB       VAL  98  -4.132   0.440  -7.546
  742   1HG1  VAL  98          HG13      VAL  98  -3.265  -0.890  -5.470
  743   2HG1  VAL  98          HG12      VAL  98  -3.416   0.674  -4.671
  744   3HG1  VAL  98          HG11      VAL  98  -4.826  -0.076  -5.420
  745   1HG2  VAL  98          HG23      VAL  98  -2.830   2.767  -7.269
  746   2HG2  VAL  98          HG22      VAL  98  -4.542   2.603  -6.879
  747   3HG2  VAL  98          HG21      VAL  98  -3.335   2.542  -5.594
  748    H    THR  99           HN       THR  99  -0.255   1.877  -8.346
  749    HA   THR  99           HA       THR  99  -1.648   2.026 -10.931
  750    HB   THR  99           HB       THR  99  -0.189   3.850 -11.487
  751    HG1  THR  99           HG1      THR  99   1.418   2.832  -9.397
  752   1HG2  THR  99          HG22      THR  99  -1.841   4.235  -9.608
  753   2HG2  THR  99          HG21      THR  99  -0.482   4.065  -8.496
  754   3HG2  THR  99          HG23      THR  99  -0.492   5.369  -9.685
  755    H    GLU 100           HN       GLU 100  -0.004   1.885 -12.938
  756    HA   GLU 100           HA       GLU 100   0.898  -0.798 -13.085
  757   1HB   GLU 100           HB2      GLU 100   2.187   0.015 -15.104
  758   2HB   GLU 100           HB1      GLU 100   0.464   0.371 -15.106
  759   1HG   GLU 100           HG2      GLU 100   2.099   2.466 -13.845
  760   2HG   GLU 100           HG1      GLU 100   2.465   2.219 -15.552
  761    H    VAL 101           HN       VAL 101   2.468   1.640 -11.240
  762    HA   VAL 101           HA       VAL 101   5.188   0.711 -11.845
  763    HB   VAL 101           HB       VAL 101   4.433   2.564  -9.582
  764   1HG1  VAL 101          HG12      VAL 101   6.862   2.253 -11.372
  765   2HG1  VAL 101          HG11      VAL 101   6.678   3.501 -10.140
  766   3HG1  VAL 101          HG13      VAL 101   6.749   1.803  -9.671
  767   1HG2  VAL 101          HG23      VAL 101   4.256   3.026 -12.512
  768   2HG2  VAL 101          HG22      VAL 101   3.448   3.868 -11.190
  769   3HG2  VAL 101          HG21      VAL 101   5.117   4.266 -11.599
  770    H    GLU 102           HN       GLU 102   2.703  -0.542  -9.932
  771    HA   GLU 102           HA       GLU 102   4.729  -1.938  -8.252
  772   1HB   GLU 102           HB2      GLU 102   2.855   0.013  -7.284
  773   2HB   GLU 102           HB1      GLU 102   2.477  -1.551  -6.567
  774   1HG   GLU 102           HG2      GLU 102   5.351  -0.783  -6.669
  775   2HG   GLU 102           HG1      GLU 102   4.330   0.099  -5.532
  776    H    CYS 103           HN       CYS 103   1.171  -2.163  -7.824
  777    HA   CYS 103           HA       CYS 103   1.168  -4.803  -9.220
  778   1HB   CYS 103           HB2      CYS 103   0.501  -4.376  -6.284
  779   2HB   CYS 103           HB1      CYS 103   0.125  -5.844  -7.183
  780    H    ASN 104           HN       ASN 104  -0.108  -2.358 -10.023
  781    HA   ASN 104           HA       ASN 104  -2.577  -1.635  -9.189
  782   1HB   ASN 104           HB2      ASN 104  -3.195  -1.144 -11.525
  783   2HB   ASN 104           HB1      ASN 104  -1.539  -0.675 -11.179
  784   1HD2  ASN 104          HD22      ASN 104  -0.126  -3.211 -13.305
  785   2HD2  ASN 104          HD21      ASN 104   0.201  -2.258 -11.941
  786    H    LEU 105           HN       LEU 105  -2.225  -4.455 -11.423
  787    HA   LEU 105           HA       LEU 105  -3.849  -6.084 -11.991
  788   1HB   LEU 105           HB2      LEU 105  -3.946  -5.991  -8.964
  789   2HB   LEU 105           HB1      LEU 105  -4.631  -7.297  -9.932
  790    HG   LEU 105           HG       LEU 105  -1.861  -6.640 -10.682
  791   1HD1  LEU 105          HD13      LEU 105  -2.278  -6.463  -7.977
  792   2HD1  LEU 105          HD12      LEU 105  -1.904  -8.175  -8.161
  793   3HD1  LEU 105          HD11      LEU 105  -0.760  -6.957  -8.722
  794   1HD2  LEU 105          HD21      LEU 105  -3.545  -8.729 -11.048
  795   2HD2  LEU 105          HD23      LEU 105  -1.790  -8.891 -11.116
  796   3HD2  LEU 105          HD22      LEU 105  -2.659  -9.307  -9.638
  797    H    ALA 106           HN       ALA 106  -4.946  -3.295 -11.903
  798    HA   ALA 106           HA       ALA 106  -7.017  -2.241 -12.132
  799   1HB   ALA 106           HB2      ALA 106  -7.471  -4.755 -13.056
  800   2HB   ALA 106           HB1      ALA 106  -8.578  -4.732 -11.683
  801   3HB   ALA 106           HB3      ALA 106  -8.729  -3.523 -12.957
  802    H    THR 107           HN       THR 107  -8.795  -1.530 -10.812
  803    HA   THR 107           HA       THR 107  -8.713  -2.470  -7.961
  804    HB   THR 107           HB       THR 107  -8.613  -0.240  -7.157
  805    HG1  THR 107           HG1      THR 107  -9.732   1.240  -8.124
  806   1HG2  THR 107          HG22      THR 107  -6.491  -0.850  -8.238
  807   2HG2  THR 107          HG21      THR 107  -7.069  -0.166  -9.757
  808   3HG2  THR 107          HG23      THR 107  -6.799   0.882  -8.366
  809    H    ILE 108           HN       ILE 108 -10.803  -0.693  -7.109
  810    HA   ILE 108           HA       ILE 108 -13.142  -2.123  -8.012
  811    HB   ILE 108           HB       ILE 108 -12.779  -1.007  -5.738
  812   1HG1  ILE 108          HG12      ILE 108 -14.970  -1.892  -6.542
  813   2HG1  ILE 108          HG11      ILE 108 -15.136  -0.542  -5.425
  814   1HG2  ILE 108          HG21      ILE 108 -13.492   1.476  -7.325
  815   2HG2  ILE 108          HG23      ILE 108 -13.489   1.376  -5.564
  816   3HG2  ILE 108          HG22      ILE 108 -11.984   1.174  -6.461
  817   1HD1  ILE 108          HD12      ILE 108 -15.076   0.768  -7.837
  818   2HD1  ILE 108          HD11      ILE 108 -15.883  -0.734  -8.277
  819   3HD1  ILE 108          HD13      ILE 108 -16.551   0.286  -7.004
  820    H    HIS 109           HN       HIS 109 -11.600   0.923  -8.817
  821    HA   HIS 109           HA       HIS 109 -13.687   2.041 -10.451
  822   1HB   HIS 109           HB2      HIS 109 -10.706   2.520 -10.307
  823   2HB   HIS 109           HB1      HIS 109 -11.804   3.476 -11.303
  824    HD1  HIS 109           HD1      HIS 109 -13.571   4.954 -10.053
  825    HD2  HIS 109           HD2      HIS 109 -10.870   3.017  -7.542
  826    HE1  HIS 109           HE1      HIS 109 -13.802   6.035  -7.778
  827    H    GLY 110           HN       GLY 110 -11.862  -0.740 -11.084
  828   1HA   GLY 110           HA2      GLY 110 -11.497  -1.978 -13.029
  829   2HA   GLY 110           HA1      GLY 110 -12.767  -0.999 -13.763
  830    H    GLY 111           HN       GLY 111  -9.867   0.426 -12.398
  831   1HA   GLY 111           HA2      GLY 111  -8.466   0.630 -14.959
  832   2HA   GLY 111           HA1      GLY 111  -9.180   2.151 -14.420
  833    HA   PRO 112           HA       PRO 112  -5.055   1.367 -12.253
  834   1HB   PRO 112           HB2      PRO 112  -3.475   3.080 -13.732
  835   2HB   PRO 112           HB1      PRO 112  -3.635   1.347 -14.060
  836   1HG   PRO 112           HG2      PRO 112  -4.763   3.666 -15.540
  837   2HG   PRO 112           HG1      PRO 112  -4.436   2.024 -16.118
  838   1HD   PRO 112           HD2      PRO 112  -6.976   3.088 -15.408
  839   2HD   PRO 112           HD1      PRO 112  -6.599   1.386 -15.746
  840    H    PHE 113           HN       PHE 113  -6.567   2.633 -10.756
  841    HA   PHE 113           HA       PHE 113  -5.325   4.925  -9.706
  842   1HB   PHE 113           HB2      PHE 113  -6.973   6.725 -10.319
  843   2HB   PHE 113           HB1      PHE 113  -5.950   6.207 -11.651
  844    HD1  PHE 113           HD2      PHE 113  -9.349   6.029 -10.199
  845    HD2  PHE 113           HD1      PHE 113  -6.865   5.027 -13.554
  846    HE1  PHE 113           HE2      PHE 113 -11.370   5.509 -11.540
  847    HE2  PHE 113           HE1      PHE 113  -8.884   4.509 -14.897
  848    HZ   PHE 113           HZ       PHE 113 -11.140   4.753 -13.893
  849    H    CYS 114           HN       CYS 114  -6.674   6.026  -7.997
  850    HA   CYS 114           HA       CYS 114  -9.279   5.024  -7.280
  851   1HB   CYS 114           HB2      CYS 114  -8.675   3.633  -5.368
  852   2HB   CYS 114           HB1      CYS 114  -7.884   2.994  -6.809
  853    H    LEU 115           HN       LEU 115  -9.988   5.920  -5.149
  854    HA   LEU 115           HA       LEU 115 -10.098   7.548  -3.494
  855   1HB   LEU 115           HB2      LEU 115  -7.341   6.726  -3.568
  856   2HB   LEU 115           HB1      LEU 115  -7.410   8.454  -3.245
  857    HG   LEU 115           HG       LEU 115  -7.479   7.157  -1.150
  858   1HD1  LEU 115          HD12      LEU 115  -9.741   8.880  -2.034
  859   2HD1  LEU 115          HD11      LEU 115  -9.959   8.003  -0.521
  860   3HD1  LEU 115          HD13      LEU 115  -8.600   9.109  -0.711
  861   1HD2  LEU 115          HD21      LEU 115  -8.918   5.318  -2.532
  862   2HD2  LEU 115          HD23      LEU 115  -8.911   5.412  -0.771
  863   3HD2  LEU 115          HD22      LEU 115 -10.222   6.153  -1.689
  864    H    SER 116           HN       SER 116  -7.278   9.013  -5.094
  865    HA   SER 116           HA       SER 116  -8.152  11.624  -5.133
  866   1HB   SER 116           HB2      SER 116  -5.887  11.012  -5.750
  867   2HB   SER 116           HB1      SER 116  -6.458  10.205  -7.205
  868    HG   SER 116           HG       SER 116  -5.748  12.285  -7.704
  869    H    LEU 117           HN       LEU 117  -8.028  10.185  -8.385
  870    HA   LEU 117           HA       LEU 117  -9.472  10.431 -10.204
  871   1HB   LEU 117           HB2      LEU 117 -11.203   9.747  -7.887
  872   2HB   LEU 117           HB1      LEU 117 -12.030  10.428  -9.288
  873    HG   LEU 117           HG       LEU 117 -10.274   8.612 -10.438
  874   1HD1  LEU 117          HD11      LEU 117 -11.205   7.628  -7.747
  875   2HD1  LEU 117          HD13      LEU 117 -10.947   6.499  -9.076
  876   3HD1  LEU 117          HD12      LEU 117  -9.610   7.483  -8.486
  877   1HD2  LEU 117          HD23      LEU 117 -12.890   9.126 -10.611
  878   2HD2  LEU 117          HD22      LEU 117 -12.213   7.611 -11.206
  879   3HD2  LEU 117          HD21      LEU 117 -12.994   7.666  -9.626
  880    H    LEU 118           HN       LEU 118 -11.893  12.084  -8.218
  881    HA   LEU 118           HA       LEU 118 -11.926  14.403  -9.865
  882   1HB   LEU 118           HB2      LEU 118 -13.041  13.737  -7.159
  883   2HB   LEU 118           HB1      LEU 118 -13.103  15.388  -7.749
  884    HG   LEU 118           HG       LEU 118 -15.163  14.117  -8.306
  885   1HD1  LEU 118          HD12      LEU 118 -13.931  15.869  -9.874
  886   2HD1  LEU 118          HD11      LEU 118 -13.771  14.467 -10.931
  887   3HD1  LEU 118          HD13      LEU 118 -15.370  15.013 -10.426
  888   1HD2  LEU 118          HD21      LEU 118 -13.906  11.904  -8.508
  889   2HD2  LEU 118          HD23      LEU 118 -15.114  12.208  -9.756
  890   3HD2  LEU 118          HD22      LEU 118 -13.402  12.437 -10.111
  891    H    GLY 119           HN       GLY 119  -9.600  13.648  -7.446
  892   1HA   GLY 119           HA2      GLY 119  -9.019  16.099  -6.233
  893   2HA   GLY 119           HA1      GLY 119  -7.813  14.862  -6.579
  894    H    ALA 120           HN       ALA 120  -8.691  18.007  -7.209
  895    HA   ALA 120           HA       ALA 120  -7.229  18.089  -9.816
  896   1HB   ALA 120           HB2      ALA 120  -9.557  19.521  -8.747
  897   2HB   ALA 120           HB1      ALA 120  -8.341  20.601  -9.430
  898   3HB   ALA 120           HB3      ALA 120  -9.038  19.317 -10.420
  899    H    GLY 121           HN       GLY 121  -5.387  17.747  -8.176
  900   1HA   GLY 121           HA2      GLY 121  -4.498  19.748  -6.376
  901   2HA   GLY 121           HA1      GLY 121  -3.438  18.601  -7.194
  902    H    GLU 122           HN       GLU 122  -4.526  19.704  -9.859
  903    HA   GLU 122           HA       GLU 122  -2.669  22.037  -9.975
  904   1HB   GLU 122           HB2      GLU 122  -3.828  20.471 -12.296
  905   2HB   GLU 122           HB1      GLU 122  -2.482  21.609 -12.338
  906   1HG   GLU 122           HG2      GLU 122  -1.363  20.022 -10.614
  907   2HG   GLU 122           HG1      GLU 122  -2.560  18.842 -11.151
   
  No H/Q in entry =         907
  Start of MODEL           6
 Raw file had  930 H/Q atoms
  Start of MODEL    6
    1   1H    SER   1           HT1      SER   1 -15.186   3.713  17.429
    2   2H    SER   1           HT3      SER   1 -13.859   4.521  18.108
    3   3H    SER   1           HT2      SER   1 -15.283   5.378  17.751
    4    HA   SER   1           HA       SER   1 -13.954   5.962  15.986
    5   1HB   SER   1           HB2      SER   1 -12.575   4.149  14.813
    6   2HB   SER   1           HB1      SER   1 -12.035   4.617  16.422
    7    HG   SER   1           HG       SER   1 -12.756   2.752  17.222
    8    H    VAL   2           HN       VAL   2 -15.769   6.342  14.763
    9    HA   VAL   2           HA       VAL   2 -17.615   4.342  13.858
   10    HB   VAL   2           HB       VAL   2 -17.075   7.064  12.631
   11   1HG1  VAL   2          HG11      VAL   2 -18.561   5.194  11.499
   12   2HG1  VAL   2          HG13      VAL   2 -19.731   5.675  12.727
   13   3HG1  VAL   2          HG12      VAL   2 -19.134   6.861  11.566
   14   1HG2  VAL   2          HG23      VAL   2 -18.614   6.167  15.055
   15   2HG2  VAL   2          HG22      VAL   2 -17.556   7.566  14.868
   16   3HG2  VAL   2          HG21      VAL   2 -19.161   7.571  14.139
   17    H    GLY   3           HN       GLY   3 -15.524   6.307  11.702
   18   1HA   GLY   3           HA2      GLY   3 -13.961   5.445  10.084
   19   2HA   GLY   3           HA1      GLY   3 -14.677   3.845  10.280
   20    H    THR   4           HN       THR   4 -15.365   3.361   8.234
   21    HA   THR   4           HA       THR   4 -17.727   4.616   7.177
   22    HB   THR   4           HB       THR   4 -16.173   6.386   6.512
   23    HG1  THR   4           HG1      THR   4 -16.624   6.324   4.317
   24   1HG2  THR   4          HG22      THR   4 -14.273   4.469   6.387
   25   2HG2  THR   4          HG21      THR   4 -14.664   4.609   4.674
   26   3HG2  THR   4          HG23      THR   4 -14.119   6.025   5.570
   27    H    SER   5           HN       SER   5 -18.076   2.226   7.421
   28    HA   SER   5           HA       SER   5 -18.377   0.103   6.488
   29   1HB   SER   5           HB2      SER   5 -18.591   1.867   4.389
   30   2HB   SER   5           HB1      SER   5 -17.311   0.796   3.825
   31    HG   SER   5           HG       SER   5 -19.936   0.349   3.952
   32    H    CYS   6           HN       CYS   6 -17.097  -1.679   5.275
   33    HA   CYS   6           HA       CYS   6 -15.178  -3.022   5.196
   34   1HB   CYS   6           HB2      CYS   6 -13.963  -0.283   4.767
   35   2HB   CYS   6           HB1      CYS   6 -13.012  -1.765   4.713
   36    H    ILE   7           HN       ILE   7 -14.952  -3.938   7.194
   37    HA   ILE   7           HA       ILE   7 -13.870  -2.339   9.445
   38    HB   ILE   7           HB       ILE   7 -14.413  -4.340  10.814
   39   1HG1  ILE   7          HG12      ILE   7 -15.569  -5.478   8.251
   40   2HG1  ILE   7          HG11      ILE   7 -14.024  -5.984   8.934
   41   1HG2  ILE   7          HG23      ILE   7 -16.419  -2.959   9.089
   42   2HG2  ILE   7          HG22      ILE   7 -16.976  -4.325  10.054
   43   3HG2  ILE   7          HG21      ILE   7 -16.238  -2.931  10.843
   44   1HD1  ILE   7          HD13      ILE   7 -16.689  -6.113  10.374
   45   2HD1  ILE   7          HD12      ILE   7 -15.876  -7.488   9.626
   46   3HD1  ILE   7          HD11      ILE   7 -15.140  -6.672  11.006
   47    HA   PRO   8           HA       PRO   8  -9.838  -4.068   9.030
   48   1HB   PRO   8           HB2      PRO   8  -8.971  -3.956  11.640
   49   2HB   PRO   8           HB1      PRO   8  -9.108  -2.536  10.590
   50   1HG   PRO   8           HG2      PRO   8 -10.865  -3.377  12.845
   51   2HG   PRO   8           HG1      PRO   8 -10.570  -1.755  12.197
   52   1HD   PRO   8           HD2      PRO   8 -12.850  -3.357  11.694
   53   2HD   PRO   8           HD1      PRO   8 -12.390  -1.885  10.813
   54    H    GLY   9           HN       GLY   9  -8.515  -5.998   9.620
   55   1HA   GLY   9           HA2      GLY   9  -8.162  -8.196  10.371
   56   2HA   GLY   9           HA1      GLY   9  -9.526  -8.001  11.463
   57    H    MET  10           HN       MET  10 -10.540  -7.148   8.366
   58    HA   MET  10           HA       MET  10 -11.403  -9.929   7.694
   59   1HB   MET  10           HB2      MET  10 -13.069  -7.439   7.981
   60   2HB   MET  10           HB1      MET  10 -13.581  -8.741   6.908
   61   1HG   MET  10           HG2      MET  10 -14.598  -9.383   8.902
   62   2HG   MET  10           HG1      MET  10 -13.074 -10.265   8.995
   63   1HE   MET  10           HE1      MET  10 -13.418 -10.670  11.239
   64   2HE   MET  10           HE3      MET  10 -13.129  -9.579  12.601
   65   3HE   MET  10           HE2      MET  10 -14.709  -9.621  11.821
   66    H    ALA  11           HN       ALA  11  -9.976 -10.087   5.773
   67    HA   ALA  11           HA       ALA  11  -9.613  -9.831   3.457
   68   1HB   ALA  11           HB3      ALA  11 -11.933  -8.395   3.621
   69   2HB   ALA  11           HB2      ALA  11 -10.786  -7.127   3.190
   70   3HB   ALA  11           HB1      ALA  11 -10.967  -8.543   2.155
   71    H    ILE  12           HN       ILE  12  -9.564  -6.705   5.196
   72    HA   ILE  12           HA       ILE  12  -6.814  -6.212   4.203
   73    HB   ILE  12           HB       ILE  12  -8.736  -4.358   5.646
   74   1HG1  ILE  12          HG12      ILE  12  -7.992  -3.924   2.801
   75   2HG1  ILE  12          HG11      ILE  12  -9.077  -5.278   3.119
   76   1HG2  ILE  12          HG21      ILE  12  -6.026  -3.969   4.366
   77   2HG2  ILE  12          HG23      ILE  12  -7.123  -2.623   4.675
   78   3HG2  ILE  12          HG22      ILE  12  -6.511  -3.589   6.018
   79   1HD1  ILE  12          HD12      ILE  12 -10.264  -3.436   4.669
   80   2HD1  ILE  12          HD11      ILE  12  -9.534  -2.355   3.483
   81   3HD1  ILE  12          HD13      ILE  12 -10.655  -3.611   2.958
   82    HA   PRO  13           HA       PRO  13  -6.169  -7.659   8.491
   83   1HB   PRO  13           HB2      PRO  13  -3.612  -8.603   8.149
   84   2HB   PRO  13           HB1      PRO  13  -5.073  -9.529   7.773
   85   1HG   PRO  13           HG2      PRO  13  -3.124  -8.297   5.920
   86   2HG   PRO  13           HG1      PRO  13  -4.303  -9.580   5.610
   87   1HD   PRO  13           HD2      PRO  13  -4.502  -6.806   4.915
   88   2HD   PRO  13           HD1      PRO  13  -5.729  -8.069   4.652
   89    H    HIS  14           HN       HIS  14  -4.360  -7.265  10.121
   90    HA   HIS  14           HA       HIS  14  -3.807  -4.461  10.265
   91   1HB   HIS  14           HB2      HIS  14  -2.718  -6.760  11.938
   92   2HB   HIS  14           HB1      HIS  14  -2.767  -5.070  12.386
   93    HD1  HIS  14           HD1      HIS  14  -4.904  -4.195  13.456
   94    HD2  HIS  14           HD2      HIS  14  -5.404  -7.938  11.696
   95    HE1  HIS  14           HE1      HIS  14  -7.222  -4.999  14.120
   96    H    ASN  15           HN       ASN  15  -1.727  -3.411   9.990
   97    HA   ASN  15           HA       ASN  15   0.400  -3.086   9.091
   98   1HB   ASN  15           HB2      ASN  15   0.723  -5.015  10.917
   99   2HB   ASN  15           HB1      ASN  15   1.092  -5.974   9.485
  100   1HD2  ASN  15          HD22      ASN  15   3.944  -3.606  10.919
  101   2HD2  ASN  15          HD21      ASN  15   2.593  -4.130  11.804
  102    HA   PRO  16           HA       PRO  16  -1.015  -5.335   5.215
  103   1HB   PRO  16           HB2      PRO  16  -2.187  -3.216   3.938
  104   2HB   PRO  16           HB1      PRO  16  -3.069  -4.299   5.029
  105   1HG   PRO  16           HG2      PRO  16  -2.148  -1.503   5.500
  106   2HG   PRO  16           HG1      PRO  16  -3.507  -2.374   6.228
  107   1HD   PRO  16           HD2      PRO  16  -0.986  -1.905   7.441
  108   2HD   PRO  16           HD1      PRO  16  -2.246  -3.018   8.009
  109    H    LEU  17           HN       LEU  17   0.015  -5.189   3.191
  110    HA   LEU  17           HA       LEU  17   1.763  -4.676   1.728
  111   1HB   LEU  17           HB2      LEU  17   0.502  -2.039   2.420
  112   2HB   LEU  17           HB1      LEU  17   1.908  -2.082   1.356
  113    HG   LEU  17           HG       LEU  17   0.471  -4.044   0.213
  114   1HD1  LEU  17          HD12      LEU  17  -1.456  -2.328   1.748
  115   2HD1  LEU  17          HD11      LEU  17  -1.935  -2.966   0.174
  116   3HD1  LEU  17          HD13      LEU  17  -1.487  -4.071   1.476
  117   1HD2  LEU  17          HD21      LEU  17   1.299  -1.605  -0.540
  118   2HD2  LEU  17          HD23      LEU  17   0.181  -2.551  -1.523
  119   3HD2  LEU  17          HD22      LEU  17  -0.433  -1.280  -0.464
  120    H    ASP  18           HN       ASP  18   2.704  -5.209   4.355
  121    HA   ASP  18           HA       ASP  18   4.561  -3.211   5.292
  122   1HB   ASP  18           HB2      ASP  18   5.586  -5.034   6.598
  123   2HB   ASP  18           HB1      ASP  18   3.828  -5.106   6.717
  124    H    SER  19           HN       SER  19   4.809  -5.918   3.074
  125    HA   SER  19           HA       SER  19   7.618  -5.769   2.543
  126   1HB   SER  19           HB2      SER  19   5.704  -7.514   1.814
  127   2HB   SER  19           HB1      SER  19   5.767  -6.551   0.339
  128    HG   SER  19           HG       SER  19   7.367  -8.469   0.967
  129    H    CYS  20           HN       CYS  20   4.884  -3.887   1.465
  130    HA   CYS  20           HA       CYS  20   6.155  -2.687  -0.835
  131   1HB   CYS  20           HB2      CYS  20   3.796  -1.737   0.788
  132   2HB   CYS  20           HB1      CYS  20   4.246  -1.168  -0.820
  133    H    ARG  21           HN       ARG  21   5.678  -1.702   2.550
  134    HA   ARG  21           HA       ARG  21   6.853   0.876   2.303
  135   1HB   ARG  21           HB2      ARG  21   6.592   1.047   4.578
  136   2HB   ARG  21           HB1      ARG  21   5.560  -0.348   4.317
  137   1HG   ARG  21           HG2      ARG  21   7.318  -1.857   5.044
  138   2HG   ARG  21           HG1      ARG  21   8.491  -0.549   5.098
  139   1HD   ARG  21           HD2      ARG  21   6.837   0.553   6.767
  140   2HD   ARG  21           HD1      ARG  21   6.178  -1.076   6.938
  141    HE   ARG  21           HE       ARG  21   9.024  -0.364   7.533
  142   1HH1  ARG  21          HH11      ARG  21   7.054  -3.030   7.174
  143   2HH1  ARG  21          HH12      ARG  21   7.327  -3.677   8.758
  144   1HH2  ARG  21          HH21      ARG  21   9.013  -0.875   9.909
  145   2HH2  ARG  21          HH22      ARG  21   8.435  -2.458  10.305
  146    H    TRP  22           HN       TRP  22   8.298  -2.257   3.255
  147    HA   TRP  22           HA       TRP  22  10.958  -1.200   3.441
  148   1HB   TRP  22           HB2      TRP  22   9.941  -4.018   3.339
  149   2HB   TRP  22           HB1      TRP  22  11.655  -3.682   3.176
  150    HD1  TRP  22           HD1      TRP  22   9.321  -4.386   5.790
  151    HE1  TRP  22           HE1      TRP  22  10.140  -3.443   8.065
  152    HE3  TRP  22           HE3      TRP  22  12.876  -1.337   4.089
  153    HZ2  TRP  22           HZ2      TRP  22  12.137  -1.544   8.991
  154    HZ3  TRP  22           HZ3      TRP  22  14.269   0.066   5.626
  155    HH2  TRP  22           HH2      TRP  22  13.895  -0.049   8.080
  156    H    TYR  23           HN       TYR  23   9.059  -2.355   0.756
  157    HA   TYR  23           HA       TYR  23  11.249  -2.789  -1.073
  158   1HB   TYR  23           HB2      TYR  23   8.948  -3.647  -1.486
  159   2HB   TYR  23           HB1      TYR  23   8.392  -1.992  -1.760
  160    HD1  TYR  23           HD1      TYR  23   9.964  -0.661  -3.577
  161    HD2  TYR  23           HD2      TYR  23   9.497  -4.907  -3.297
  162    HE1  TYR  23           HE1      TYR  23  10.735  -0.888  -5.912
  163    HE2  TYR  23           HE2      TYR  23  10.285  -5.147  -5.632
  164    HH   TYR  23           HH       TYR  23  11.711  -2.549  -7.370
  165    H    VAL  24           HN       VAL  24   9.418   0.036   0.011
  166    HA   VAL  24           HA       VAL  24  10.513   1.825  -2.006
  167    HB   VAL  24           HB       VAL  24   9.485   2.555   0.745
  168   1HG1  VAL  24          HG11      VAL  24   9.949   4.130  -1.801
  169   2HG1  VAL  24          HG13      VAL  24   9.076   4.761  -0.403
  170   3HG1  VAL  24          HG12      VAL  24  10.781   4.334  -0.260
  171   1HG2  VAL  24          HG23      VAL  24   8.123   1.830  -1.798
  172   2HG2  VAL  24          HG22      VAL  24   7.554   1.658  -0.140
  173   3HG2  VAL  24          HG21      VAL  24   7.481   3.230  -0.939
  174    H    SER  25           HN       SER  25  11.321   0.986   1.354
  175    HA   SER  25           HA       SER  25  13.436   2.783   1.773
  176   1HB   SER  25           HB2      SER  25  13.705  -0.039   2.746
  177   2HB   SER  25           HB1      SER  25  14.107   1.464   3.569
  178    HG   SER  25           HG       SER  25  11.772   1.877   3.518
  179    H    THR  26           HN       THR  26  13.531  -0.405   0.190
  180    HA   THR  26           HA       THR  26  16.396  -0.349  -0.261
  181    HB   THR  26           HB       THR  26  14.146  -2.134  -1.218
  182    HG1  THR  26           HG1      THR  26  16.384  -2.609   0.447
  183   1HG2  THR  26          HG22      THR  26  16.926  -1.982  -2.222
  184   2HG2  THR  26          HG21      THR  26  16.404  -3.591  -1.725
  185   3HG2  THR  26          HG23      THR  26  15.500  -2.712  -2.959
  186    H    ARG  27           HN       ARG  27  13.645  -0.095  -2.540
  187    HA   ARG  27           HA       ARG  27  15.175   0.387  -4.871
  188   1HB   ARG  27           HB2      ARG  27  12.691  -0.163  -4.732
  189   2HB   ARG  27           HB1      ARG  27  12.427   1.541  -4.359
  190   1HG   ARG  27           HG2      ARG  27  12.183   1.526  -6.681
  191   2HG   ARG  27           HG1      ARG  27  13.884   1.953  -6.503
  192   1HD   ARG  27           HD2      ARG  27  13.515  -0.938  -6.511
  193   2HD   ARG  27           HD1      ARG  27  12.861  -0.197  -7.971
  194    HE   ARG  27           HE       ARG  27  15.431   0.926  -7.483
  195   1HH1  ARG  27          HH21      ARG  27  16.128  -1.882  -6.832
  196   2HH1  ARG  27          HH22      ARG  27  16.494  -2.553  -8.386
  197   1HH2  ARG  27          HH11      ARG  27  14.944  -0.003 -10.149
  198   2HH2  ARG  27          HH12      ARG  27  15.824  -1.489 -10.263
  199    H    THR  28           HN       THR  28  14.291   2.541  -2.275
  200    HA   THR  28           HA       THR  28  15.066   4.910  -3.859
  201    HB   THR  28           HB       THR  28  14.066   6.214  -2.046
  202    HG1  THR  28           HG1      THR  28  13.159   5.081  -0.281
  203   1HG2  THR  28          HG21      THR  28  12.701   4.261  -3.616
  204   2HG2  THR  28          HG23      THR  28  11.916   4.361  -2.044
  205   3HG2  THR  28          HG22      THR  28  12.100   5.810  -3.026
  206    H    CYS  29           HN       CYS  29  15.846   3.817  -0.500
  207    HA   CYS  29           HA       CYS  29  18.438   5.243  -0.744
  208   1HB   CYS  29           HB2      CYS  29  16.785   4.356   1.611
  209   2HB   CYS  29           HB1      CYS  29  18.479   4.811   1.798
  210    H    GLY  30           HN       GLY  30  17.638   2.343  -1.619
  211   1HA   GLY  30           HA2      GLY  30  18.705   0.241  -1.724
  212   2HA   GLY  30           HA1      GLY  30  20.185   1.130  -1.370
  213    H    VAL  31           HN       VAL  31  17.614   1.336   0.964
  214    HA   VAL  31           HA       VAL  31  19.166  -0.398   2.836
  215    HB   VAL  31           HB       VAL  31  17.097   1.718   3.505
  216   1HG1  VAL  31          HG13      VAL  31  19.080   0.113   5.133
  217   2HG1  VAL  31          HG12      VAL  31  18.280   1.556   5.752
  218   3HG1  VAL  31          HG11      VAL  31  17.324   0.145   5.298
  219   1HG2  VAL  31          HG22      VAL  31  19.914   1.951   2.736
  220   2HG2  VAL  31          HG21      VAL  31  18.702   3.212   2.945
  221   3HG2  VAL  31          HG23      VAL  31  19.605   2.621   4.337
  222    H    GLY  32           HN       GLY  32  17.780  -1.637   4.426
  223   1HA   GLY  32           HA2      GLY  32  15.276  -2.293   4.743
  224   2HA   GLY  32           HA1      GLY  32  15.402  -2.697   3.027
  225    HA   PRO  33           HA       PRO  33  16.883  -6.348   5.721
  226   1HB   PRO  33           HB2      PRO  33  15.029  -8.221   4.851
  227   2HB   PRO  33           HB1      PRO  33  14.850  -7.249   6.321
  228   1HG   PRO  33           HG2      PRO  33  13.550  -6.895   3.647
  229   2HG   PRO  33           HG1      PRO  33  12.906  -6.565   5.265
  230   1HD   PRO  33           HD2      PRO  33  13.821  -4.612   3.570
  231   2HD   PRO  33           HD1      PRO  33  13.799  -4.456   5.343
  232    H    ARG  34           HN       ARG  34  17.579  -8.602   4.648
  233    HA   ARG  34           HA       ARG  34  18.729  -7.907   2.021
  234   1HB   ARG  34           HB2      ARG  34  20.114  -9.949   2.396
  235   2HB   ARG  34           HB1      ARG  34  20.239  -8.794   3.723
  236   1HG   ARG  34           HG2      ARG  34  19.489 -10.334   5.184
  237   2HG   ARG  34           HG1      ARG  34  18.018 -10.557   4.240
  238   1HD   ARG  34           HD2      ARG  34  19.179 -12.171   2.788
  239   2HD   ARG  34           HD1      ARG  34  20.671 -11.929   3.698
  240    HE   ARG  34           HE       ARG  34  18.236 -13.302   4.724
  241   1HH1  ARG  34          HH11      ARG  34  19.232 -12.297   7.126
  242   2HH1  ARG  34          HH12      ARG  34  20.571 -13.307   7.556
  243   1HH2  ARG  34          HH21      ARG  34  20.954 -14.610   4.365
  244   2HH2  ARG  34          HH22      ARG  34  21.546 -14.617   5.993
  245    H    LEU  35           HN       LEU  35  16.742  -8.078   0.855
  246    HA   LEU  35           HA       LEU  35  16.132 -10.859  -0.001
  247   1HB   LEU  35           HB2      LEU  35  14.386  -9.358   1.604
  248   2HB   LEU  35           HB1      LEU  35  13.751  -9.156  -0.029
  249    HG   LEU  35           HG       LEU  35  14.109 -11.749  -0.200
  250   1HD1  LEU  35          HD12      LEU  35  15.210 -11.504   2.226
  251   2HD1  LEU  35          HD11      LEU  35  13.533 -11.708   2.729
  252   3HD1  LEU  35          HD13      LEU  35  14.319 -12.951   1.757
  253   1HD2  LEU  35          HD22      LEU  35  11.934 -10.279   0.032
  254   2HD2  LEU  35          HD21      LEU  35  11.837 -12.024   0.272
  255   3HD2  LEU  35          HD23      LEU  35  11.893 -10.944   1.665
  256    H    ALA  36           HN       ALA  36  15.960 -10.993  -2.220
  257    HA   ALA  36           HA       ALA  36  16.929  -8.967  -3.909
  258   1HB   ALA  36           HB1      ALA  36  16.618 -11.452  -4.427
  259   2HB   ALA  36           HB3      ALA  36  14.942 -11.059  -4.810
  260   3HB   ALA  36           HB2      ALA  36  16.251 -10.335  -5.742
  261    H    THR  37           HN       THR  37  15.719  -7.771  -5.647
  262    HA   THR  37           HA       THR  37  13.484  -6.296  -4.513
  263    HB   THR  37           HB       THR  37  13.533  -5.454  -7.102
  264    HG1  THR  37           HG1      THR  37  16.228  -6.095  -6.558
  265   1HG2  THR  37          HG23      THR  37  14.878  -4.676  -4.591
  266   2HG2  THR  37          HG22      THR  37  15.572  -3.978  -6.054
  267   3HG2  THR  37          HG21      THR  37  13.869  -3.718  -5.676
  268    H    GLN  38           HN       GLN  38  13.746  -8.349  -7.454
  269    HA   GLN  38           HA       GLN  38  11.059  -8.255  -8.240
  270   1HB   GLN  38           HB2      GLN  38  12.931  -9.400  -9.477
  271   2HB   GLN  38           HB1      GLN  38  12.779 -10.747  -8.351
  272   1HG   GLN  38           HG2      GLN  38  11.074 -11.589  -9.556
  273   2HG   GLN  38           HG1      GLN  38  10.155 -10.104  -9.319
  274   1HE2  GLN  38          HE22      GLN  38  11.272 -10.878 -12.995
  275   2HE2  GLN  38          HE21      GLN  38  10.931 -12.009 -11.776
  276    H    GLU  39           HN       GLU  39  12.487 -10.265  -5.696
  277    HA   GLU  39           HA       GLU  39  10.128 -11.868  -5.212
  278   1HB   GLU  39           HB2      GLU  39  12.430 -11.222  -3.346
  279   2HB   GLU  39           HB1      GLU  39  11.276 -12.542  -3.151
  280   1HG   GLU  39           HG2      GLU  39  12.040 -13.580  -5.215
  281   2HG   GLU  39           HG1      GLU  39  13.108 -12.215  -5.545
  282    H    MET  40           HN       MET  40  11.350  -8.814  -3.904
  283    HA   MET  40           HA       MET  40   9.491  -8.535  -1.737
  284   1HB   MET  40           HB2      MET  40  11.677  -7.269  -2.295
  285   2HB   MET  40           HB1      MET  40  10.681  -6.274  -3.322
  286   1HG   MET  40           HG2      MET  40  10.772  -5.173  -1.181
  287   2HG   MET  40           HG1      MET  40   9.166  -5.890  -1.318
  288   1HE   MET  40           HE2      MET  40  11.183  -4.815   0.766
  289   2HE   MET  40           HE1      MET  40  11.069  -5.793   2.226
  290   3HE   MET  40           HE3      MET  40  12.462  -5.964   1.149
  291    H    LYS  41           HN       LYS  41   9.594  -7.100  -4.973
  292    HA   LYS  41           HA       LYS  41   7.070  -5.819  -5.006
  293   1HB   LYS  41           HB2      LYS  41   8.755  -5.496  -6.782
  294   2HB   LYS  41           HB1      LYS  41   8.524  -7.158  -7.315
  295   1HG   LYS  41           HG2      LYS  41   5.937  -6.083  -7.279
  296   2HG   LYS  41           HG1      LYS  41   6.938  -4.780  -7.917
  297   1HD   LYS  41           HD2      LYS  41   6.228  -6.124  -9.790
  298   2HD   LYS  41           HD1      LYS  41   7.939  -6.455  -9.524
  299   1HE   LYS  41           HE2      LYS  41   6.999  -8.372  -7.962
  300   2HE   LYS  41           HE1      LYS  41   5.565  -8.199  -8.973
  301   1HZ   LYS  41           HZ3      LYS  41   7.034  -8.451 -10.926
  302   2HZ   LYS  41           HZ2      LYS  41   8.330  -8.783  -9.880
  303   3HZ   LYS  41           HZ1      LYS  41   6.992  -9.829  -9.939
  304    H    ALA  42           HN       ALA  42   7.950  -9.185  -5.645
  305    HA   ALA  42           HA       ALA  42   5.421 -10.101  -6.625
  306   1HB   ALA  42           HB1      ALA  42   7.807 -11.272  -6.456
  307   2HB   ALA  42           HB3      ALA  42   7.138 -11.890  -4.947
  308   3HB   ALA  42           HB2      ALA  42   6.327 -12.230  -6.476
  309    H    ARG  43           HN       ARG  43   6.787  -9.797  -3.378
  310    HA   ARG  43           HA       ARG  43   4.662 -11.055  -1.934
  311   1HB   ARG  43           HB2      ARG  43   7.029  -9.451  -1.322
  312   2HB   ARG  43           HB1      ARG  43   5.690  -9.079  -0.240
  313   1HG   ARG  43           HG2      ARG  43   6.991 -10.910   0.707
  314   2HG   ARG  43           HG1      ARG  43   5.419 -11.527   0.196
  315   1HD   ARG  43           HD2      ARG  43   6.361 -12.435  -1.835
  316   2HD   ARG  43           HD1      ARG  43   7.912 -11.658  -1.517
  317    HE   ARG  43           HE       ARG  43   7.548 -13.243   0.709
  318   1HH1  ARG  43          HH21      ARG  43   5.858 -15.025  -0.991
  319   2HH1  ARG  43          HH22      ARG  43   7.027 -16.116  -1.657
  320   1HH2  ARG  43          HH11      ARG  43   9.739 -14.101  -0.879
  321   2HH2  ARG  43          HH12      ARG  43   9.224 -15.592  -1.594
  322    H    CYS  44           HN       CYS  44   5.193  -7.679  -2.942
  323    HA   CYS  44           HA       CYS  44   2.903  -6.589  -1.582
  324   1HB   CYS  44           HB2      CYS  44   4.582  -5.616  -3.862
  325   2HB   CYS  44           HB1      CYS  44   3.090  -4.786  -3.406
  326    H    CYS  45           HN       CYS  45   3.318  -8.061  -4.791
  327    HA   CYS  45           HA       CYS  45   0.686  -7.263  -5.743
  328   1HB   CYS  45           HB2      CYS  45   2.788  -9.185  -6.723
  329   2HB   CYS  45           HB1      CYS  45   1.184  -9.181  -7.445
  330    H    ARG  46           HN       ARG  46   2.006  -9.983  -3.966
  331    HA   ARG  46           HA       ARG  46  -0.317 -11.693  -4.239
  332   1HB   ARG  46           HB2      ARG  46   2.114 -12.278  -3.452
  333   2HB   ARG  46           HB1      ARG  46   1.543 -11.797  -1.867
  334   1HG   ARG  46           HG2      ARG  46  -0.119 -13.692  -3.489
  335   2HG   ARG  46           HG1      ARG  46   1.285 -14.302  -2.614
  336   1HD   ARG  46           HD2      ARG  46  -0.066 -12.608  -0.798
  337   2HD   ARG  46           HD1      ARG  46  -1.317 -13.573  -1.582
  338    HE   ARG  46           HE       ARG  46   0.769 -15.345  -0.878
  339   1HH1  ARG  46          HH11      ARG  46  -2.263 -14.493   0.077
  340   2HH1  ARG  46          HH12      ARG  46  -2.059 -14.847   1.760
  341   1HH2  ARG  46          HH21      ARG  46   1.378 -15.261   1.527
  342   2HH2  ARG  46          HH22      ARG  46   0.004 -15.282   2.581
  343    H    GLN  47           HN       GLN  47   0.762  -9.163  -2.024
  344    HA   GLN  47           HA       GLN  47  -1.485  -9.518  -0.168
  345   1HB   GLN  47           HB2      GLN  47   0.490  -7.236  -0.478
  346   2HB   GLN  47           HB1      GLN  47  -0.632  -7.439   0.866
  347   1HG   GLN  47           HG2      GLN  47   0.730  -9.909   0.629
  348   2HG   GLN  47           HG1      GLN  47   1.965  -8.662   0.461
  349   1HE2  GLN  47          HE22      GLN  47   2.029  -8.193   3.939
  350   2HE2  GLN  47          HE21      GLN  47   2.887  -8.291   2.478
  351    H    LEU  48           HN       LEU  48  -0.827  -7.668  -3.046
  352    HA   LEU  48           HA       LEU  48  -2.882  -5.683  -2.743
  353   1HB   LEU  48           HB2      LEU  48  -0.754  -5.709  -4.269
  354   2HB   LEU  48           HB1      LEU  48  -1.752  -6.622  -5.387
  355    HG   LEU  48           HG       LEU  48  -1.728  -4.174  -5.858
  356   1HD1  LEU  48          HD11      LEU  48  -3.762  -5.872  -6.119
  357   2HD1  LEU  48          HD13      LEU  48  -4.513  -4.749  -4.986
  358   3HD1  LEU  48          HD12      LEU  48  -3.913  -4.166  -6.538
  359   1HD2  LEU  48          HD22      LEU  48  -1.780  -3.760  -3.213
  360   2HD2  LEU  48          HD21      LEU  48  -2.425  -2.576  -4.350
  361   3HD2  LEU  48          HD23      LEU  48  -3.516  -3.683  -3.518
  362    H    GLU  49           HN       GLU  49  -2.677  -8.860  -4.309
  363    HA   GLU  49           HA       GLU  49  -5.417  -8.724  -5.329
  364   1HB   GLU  49           HB2      GLU  49  -3.130 -10.508  -5.599
  365   2HB   GLU  49           HB1      GLU  49  -4.592 -11.431  -5.251
  366   1HG   GLU  49           HG2      GLU  49  -5.397  -9.504  -7.138
  367   2HG   GLU  49           HG1      GLU  49  -3.822 -10.059  -7.703
  368    H    ALA  50           HN       ALA  50  -3.731 -10.228  -2.572
  369    HA   ALA  50           HA       ALA  50  -5.843 -11.740  -1.451
  370   1HB   ALA  50           HB3      ALA  50  -3.315 -11.356  -0.688
  371   2HB   ALA  50           HB2      ALA  50  -4.062 -10.164   0.373
  372   3HB   ALA  50           HB1      ALA  50  -4.544 -11.858   0.471
  373    H    ILE  51           HN       ILE  51  -5.074  -8.322  -1.290
  374    HA   ILE  51           HA       ILE  51  -7.316  -7.617   0.458
  375    HB   ILE  51           HB       ILE  51  -5.458  -5.906  -1.239
  376   1HG1  ILE  51          HG12      ILE  51  -5.499  -6.215   1.769
  377   2HG1  ILE  51          HG11      ILE  51  -4.526  -7.267   0.742
  378   1HG2  ILE  51          HG23      ILE  51  -7.499  -5.163   0.881
  379   2HG2  ILE  51          HG22      ILE  51  -6.304  -4.049   0.216
  380   3HG2  ILE  51          HG21      ILE  51  -7.555  -4.727  -0.826
  381   1HD1  ILE  51          HD13      ILE  51  -4.222  -4.415   0.094
  382   2HD1  ILE  51          HD12      ILE  51  -3.712  -4.819   1.733
  383   3HD1  ILE  51          HD11      ILE  51  -2.987  -5.647   0.356
  384    HA   PRO  52           HA       PRO  52  -9.819  -8.216  -3.281
  385   1HB   PRO  52           HB2      PRO  52 -12.253  -7.674  -2.094
  386   2HB   PRO  52           HB1      PRO  52 -11.459  -9.260  -2.084
  387   1HG   PRO  52           HG2      PRO  52 -11.576  -7.194   0.091
  388   2HG   PRO  52           HG1      PRO  52 -11.590  -8.964   0.220
  389   1HD   PRO  52           HD2      PRO  52  -9.342  -7.451   0.715
  390   2HD   PRO  52           HD1      PRO  52  -9.279  -9.121   0.119
  391    H    ALA  53           HN       ALA  53 -10.724  -6.830  -4.761
  392    HA   ALA  53           HA       ALA  53  -9.944  -4.215  -5.009
  393   1HB   ALA  53           HB2      ALA  53 -11.327  -5.835  -6.583
  394   2HB   ALA  53           HB1      ALA  53 -12.683  -4.872  -5.995
  395   3HB   ALA  53           HB3      ALA  53 -11.343  -4.088  -6.835
  396    H    TYR  54           HN       TYR  54 -12.657  -5.327  -3.074
  397    HA   TYR  54           HA       TYR  54 -13.930  -2.765  -2.735
  398   1HB   TYR  54           HB2      TYR  54 -14.609  -5.303  -2.044
  399   2HB   TYR  54           HB1      TYR  54 -14.031  -4.709  -0.487
  400    HD1  TYR  54           HD2      TYR  54 -14.873  -2.247   0.129
  401    HD2  TYR  54           HD1      TYR  54 -16.837  -4.918  -2.603
  402    HE1  TYR  54           HE2      TYR  54 -16.998  -1.006   0.442
  403    HE2  TYR  54           HE1      TYR  54 -18.960  -3.677  -2.289
  404    HH   TYR  54           HH       TYR  54 -19.593  -1.264  -1.588
  405    H    CYS  55           HN       CYS  55 -13.048  -1.046  -1.733
  406    HA   CYS  55           HA       CYS  55 -11.786   0.271  -0.261
  407   1HB   CYS  55           HB2      CYS  55 -12.176  -2.260   1.328
  408   2HB   CYS  55           HB1      CYS  55 -11.162  -0.961   1.950
  409    H    ARG  56           HN       ARG  56 -10.443  -1.841  -2.259
  410    HA   ARG  56           HA       ARG  56  -8.010  -2.825  -1.347
  411   1HB   ARG  56           HB2      ARG  56  -9.084  -1.990  -3.912
  412   2HB   ARG  56           HB1      ARG  56  -7.370  -1.595  -3.816
  413   1HG   ARG  56           HG2      ARG  56  -6.979  -3.971  -3.000
  414   2HG   ARG  56           HG1      ARG  56  -8.655  -4.309  -3.431
  415   1HD   ARG  56           HD2      ARG  56  -7.996  -3.281  -5.750
  416   2HD   ARG  56           HD1      ARG  56  -6.345  -3.617  -5.232
  417    HE   ARG  56           HE       ARG  56  -7.428  -6.038  -4.822
  418   1HH1  ARG  56          HH21      ARG  56  -9.326  -4.301  -6.866
  419   2HH1  ARG  56          HH22      ARG  56  -9.069  -5.278  -8.268
  420   1HH2  ARG  56          HH11      ARG  56  -6.479  -7.093  -6.855
  421   2HH2  ARG  56          HH12      ARG  56  -7.459  -6.858  -8.264
  422    H    CYS  57           HN       CYS  57  -7.742   0.230  -3.198
  423    HA   CYS  57           HA       CYS  57  -5.399   1.267  -2.316
  424   1HB   CYS  57           HB2      CYS  57  -8.012   2.690  -2.765
  425   2HB   CYS  57           HB1      CYS  57  -6.532   3.582  -2.399
  426    H    GLU  58           HN       GLU  58  -8.352   1.607  -0.215
  427    HA   GLU  58           HA       GLU  58  -7.551   3.277   1.769
  428   1HB   GLU  58           HB2      GLU  58  -8.892   0.591   2.059
  429   2HB   GLU  58           HB1      GLU  58  -8.678   1.690   3.418
  430   1HG   GLU  58           HG2      GLU  58  -9.701   3.434   1.657
  431   2HG   GLU  58           HG1      GLU  58 -10.439   1.959   1.028
  432    H    ALA  59           HN       ALA  59  -6.443  -0.159   1.672
  433    HA   ALA  59           HA       ALA  59  -4.950  -0.348   3.979
  434   1HB   ALA  59           HB1      ALA  59  -5.169  -1.883   1.765
  435   2HB   ALA  59           HB3      ALA  59  -3.512  -1.308   1.586
  436   3HB   ALA  59           HB2      ALA  59  -3.990  -2.183   3.041
  437    H    VAL  60           HN       VAL  60  -3.634   0.968   0.939
  438    HA   VAL  60           HA       VAL  60  -1.060   1.703   1.754
  439    HB   VAL  60           HB       VAL  60  -2.874   3.382  -0.005
  440   1HG1  VAL  60          HG11      VAL  60   0.127   3.123   0.297
  441   2HG1  VAL  60          HG13      VAL  60  -0.630   3.877  -1.107
  442   3HG1  VAL  60          HG12      VAL  60  -0.855   4.574   0.498
  443   1HG2  VAL  60          HG23      VAL  60  -1.285   0.867  -0.521
  444   2HG2  VAL  60          HG22      VAL  60  -2.960   1.214  -0.950
  445   3HG2  VAL  60          HG21      VAL  60  -1.646   2.001  -1.823
  446    H    ARG  61           HN       ARG  61  -4.080   3.554   2.087
  447    HA   ARG  61           HA       ARG  61  -3.007   5.856   3.389
  448   1HB   ARG  61           HB2      ARG  61  -5.732   4.554   3.683
  449   2HB   ARG  61           HB1      ARG  61  -5.315   6.128   4.350
  450   1HG   ARG  61           HG2      ARG  61  -4.565   5.905   1.530
  451   2HG   ARG  61           HG1      ARG  61  -6.290   5.643   1.780
  452   1HD   ARG  61           HD2      ARG  61  -5.635   8.060   1.408
  453   2HD   ARG  61           HD1      ARG  61  -6.533   7.764   2.897
  454    HE   ARG  61           HE       ARG  61  -4.346   7.887   4.103
  455   1HH1  ARG  61          HH21      ARG  61  -2.161   7.698   2.433
  456   2HH1  ARG  61          HH22      ARG  61  -1.830   9.297   1.856
  457   1HH2  ARG  61          HH11      ARG  61  -4.964  10.530   2.685
  458   2HH2  ARG  61          HH12      ARG  61  -3.417  10.901   1.998
  459    H    ILE  62           HN       ILE  62  -4.481   2.942   4.892
  460    HA   ILE  62           HA       ILE  62  -4.024   3.510   7.596
  461    HB   ILE  62           HB       ILE  62  -4.030   0.920   6.018
  462   1HG1  ILE  62          HG12      ILE  62  -5.931   2.066   8.084
  463   2HG1  ILE  62          HG11      ILE  62  -6.141   2.197   6.340
  464   1HG2  ILE  62          HG23      ILE  62  -3.345   1.313   8.909
  465   2HG2  ILE  62          HG22      ILE  62  -4.351  -0.067   8.476
  466   3HG2  ILE  62          HG21      ILE  62  -2.743   0.108   7.772
  467   1HD1  ILE  62          HD11      ILE  62  -5.667  -0.549   6.881
  468   2HD1  ILE  62          HD13      ILE  62  -6.842   0.005   8.074
  469   3HD1  ILE  62          HD12      ILE  62  -7.175   0.199   6.354
  470    H    LEU  63           HN       LEU  63  -1.690   2.609   5.138
  471    HA   LEU  63           HA       LEU  63   0.371   1.999   7.099
  472   1HB   LEU  63           HB2      LEU  63   0.351   1.041   4.762
  473   2HB   LEU  63           HB1      LEU  63   0.770   2.649   4.170
  474    HG   LEU  63           HG       LEU  63   2.773   2.602   5.704
  475   1HD1  LEU  63          HD11      LEU  63   1.543  -0.034   6.312
  476   2HD1  LEU  63          HD13      LEU  63   3.298  -0.019   6.145
  477   3HD1  LEU  63          HD12      LEU  63   2.517   1.018   7.339
  478   1HD2  LEU  63          HD21      LEU  63   2.939   2.055   3.288
  479   2HD2  LEU  63          HD23      LEU  63   4.086   1.116   4.244
  480   3HD2  LEU  63          HD22      LEU  63   2.603   0.363   3.658
  481    H    MET  64           HN       MET  64  -0.422   4.802   5.074
  482    HA   MET  64           HA       MET  64   1.861   6.328   6.066
  483   1HB   MET  64           HB2      MET  64   0.733   6.705   3.828
  484   2HB   MET  64           HB1      MET  64  -0.626   7.420   4.697
  485   1HG   MET  64           HG2      MET  64   2.064   8.441   5.433
  486   2HG   MET  64           HG1      MET  64   1.492   8.865   3.820
  487   1HE   MET  64           HE3      MET  64   1.590   9.518   7.384
  488   2HE   MET  64           HE2      MET  64   2.075  10.885   6.384
  489   3HE   MET  64           HE1      MET  64   0.716  11.052   7.490
  490    H    ASP  65           HN       ASP  65  -1.680   6.621   6.597
  491    HA   ASP  65           HA       ASP  65  -1.264   8.487   8.796
  492   1HB   ASP  65           HB2      ASP  65  -3.781   7.404   7.481
  493   2HB   ASP  65           HB1      ASP  65  -3.847   8.204   9.050
  494    H    GLY  66           HN       GLY  66  -1.615   5.021   8.514
  495   1HA   GLY  66           HA2      GLY  66  -1.229   3.481  10.303
  496   2HA   GLY  66           HA1      GLY  66  -1.364   4.813  11.451
  497    H    VAL  67           HN       VAL  67  -2.723   2.187  11.472
  498    HA   VAL  67           HA       VAL  67  -5.581   3.078  11.353
  499    HB   VAL  67           HB       VAL  67  -5.201   1.311   9.758
  500   1HG1  VAL  67          HG11      VAL  67  -3.992  -0.200  12.087
  501   2HG1  VAL  67          HG13      VAL  67  -4.313  -0.900  10.502
  502   3HG1  VAL  67          HG12      VAL  67  -3.129   0.397  10.670
  503   1HG2  VAL  67          HG21      VAL  67  -7.285   1.216  11.177
  504   2HG2  VAL  67          HG23      VAL  67  -6.797  -0.337  10.498
  505   3HG2  VAL  67          HG22      VAL  67  -6.462   0.030  12.190
  506    H    VAL  68           HN       VAL  68  -6.992   2.140  13.001
  507    HA   VAL  68           HA       VAL  68  -5.537   1.598  15.550
  508    HB   VAL  68           HB       VAL  68  -8.160   3.051  15.070
  509   1HG1  VAL  68          HG13      VAL  68  -6.856   2.245  17.697
  510   2HG1  VAL  68          HG12      VAL  68  -8.247   3.318  17.543
  511   3HG1  VAL  68          HG11      VAL  68  -8.384   1.625  17.070
  512   1HG2  VAL  68          HG22      VAL  68  -5.365   3.789  15.801
  513   2HG2  VAL  68          HG21      VAL  68  -6.549   4.681  14.847
  514   3HG2  VAL  68          HG23      VAL  68  -6.662   4.675  16.606
  515    H    THR  69           HN       THR  69  -6.612   0.190  17.028
  516    HA   THR  69           HA       THR  69  -8.276  -1.896  15.721
  517    HB   THR  69           HB       THR  69  -7.185  -3.458  17.392
  518    HG1  THR  69           HG1      THR  69  -5.557  -2.725  18.574
  519   1HG2  THR  69          HG21      THR  69  -6.491  -3.218  14.986
  520   2HG2  THR  69          HG23      THR  69  -5.266  -2.063  15.511
  521   3HG2  THR  69          HG22      THR  69  -5.190  -3.738  16.058
  522    H    SER  70           HN       SER  70  -9.680  -3.065  17.159
  523    HA   SER  70           HA       SER  70 -11.368  -1.395  18.704
  524   1HB   SER  70           HB2      SER  70 -12.044  -3.523  17.560
  525   2HB   SER  70           HB1      SER  70 -11.178  -4.411  18.811
  526    HG   SER  70           HG       SER  70 -12.552  -3.345  20.343
  527    H    SER  71           HN       SER  71  -8.749  -3.497  19.587
  528    HA   SER  71           HA       SER  71  -9.177  -3.541  22.429
  529   1HB   SER  71           HB2      SER  71  -6.643  -4.054  22.439
  530   2HB   SER  71           HB1      SER  71  -7.703  -5.191  21.612
  531    HG   SER  71           HG       SER  71  -5.681  -4.226  20.535
  532    H    GLY  72           HN       GLY  72  -8.003  -1.078  20.314
  533   1HA   GLY  72           HA2      GLY  72  -7.795   1.240  21.094
  534   2HA   GLY  72           HA1      GLY  72  -7.305   0.601  22.666
  535    H    GLN  73           HN       GLN  73  -5.855  -1.104  20.027
  536    HA   GLN  73           HA       GLN  73  -3.255   0.254  20.617
  537   1HB   GLN  73           HB2      GLN  73  -3.623  -2.345  19.112
  538   2HB   GLN  73           HB1      GLN  73  -2.172  -1.751  19.913
  539   1HG   GLN  73           HG2      GLN  73  -4.740  -2.553  21.318
  540   2HG   GLN  73           HG1      GLN  73  -3.272  -3.527  21.243
  541   1HE2  GLN  73          HE22      GLN  73  -3.518  -1.108  24.291
  542   2HE2  GLN  73          HE21      GLN  73  -4.787  -1.921  23.507
  543    H    HIS  74           HN       HIS  74  -1.815   0.731  18.764
  544    HA   HIS  74           HA       HIS  74  -3.343   1.259  16.246
  545   1HB   HIS  74           HB2      HIS  74  -1.128   2.744  17.639
  546   2HB   HIS  74           HB1      HIS  74  -1.442   2.981  15.937
  547    HD1  HIS  74           HD1      HIS  74  -2.475   5.286  15.967
  548    HD2  HIS  74           HD2      HIS  74  -4.298   2.709  18.688
  549    HE1  HIS  74           HE1      HIS  74  -4.495   6.512  16.876
  550    H    GLU  75           HN       GLU  75  -2.118   0.970  14.270
  551    HA   GLU  75           HA       GLU  75   0.432  -0.511  14.464
  552   1HB   GLU  75           HB2      GLU  75  -1.881  -1.551  12.815
  553   2HB   GLU  75           HB1      GLU  75  -0.310  -2.313  13.051
  554   1HG   GLU  75           HG2      GLU  75  -2.222  -1.755  15.329
  555   2HG   GLU  75           HG1      GLU  75  -2.190  -3.280  14.449
  556    H    GLY  76           HN       GLY  76   1.014  -1.116  11.993
  557   1HA   GLY  76           HA2      GLY  76   1.760  -0.258   9.948
  558   2HA   GLY  76           HA1      GLY  76   0.244   0.645   9.894
  559    H    ARG  77           HN       ARG  77   0.926   2.660   9.327
  560    HA   ARG  77           HA       ARG  77   2.000   4.747   9.450
  561   1HB   ARG  77           HB2      ARG  77   0.729   4.413  11.729
  562   2HB   ARG  77           HB1      ARG  77   2.358   4.282  12.394
  563   1HG   ARG  77           HG2      ARG  77   2.956   6.460  11.610
  564   2HG   ARG  77           HG1      ARG  77   1.510   6.569  10.605
  565   1HD   ARG  77           HD2      ARG  77   0.977   7.865  12.508
  566   2HD   ARG  77           HD1      ARG  77   0.193   6.315  12.816
  567    HE   ARG  77           HE       ARG  77   2.702   6.052  13.980
  568   1HH1  ARG  77          HH21      ARG  77  -0.255   6.630  15.094
  569   2HH1  ARG  77          HH22      ARG  77   0.166   7.761  16.337
  570   1HH2  ARG  77          HH11      ARG  77   3.405   8.222  15.190
  571   2HH2  ARG  77          HH12      ARG  77   2.238   8.662  16.392
  572    H    LEU  78           HN       LEU  78   3.718   2.250   9.189
  573    HA   LEU  78           HA       LEU  78   6.162   2.769  10.677
  574   1HB   LEU  78           HB2      LEU  78   5.666   0.976   8.282
  575   2HB   LEU  78           HB1      LEU  78   7.103   0.949   9.305
  576    HG   LEU  78           HG       LEU  78   4.522   0.753  10.749
  577   1HD1  LEU  78          HD12      LEU  78   4.721  -0.777   8.448
  578   2HD1  LEU  78          HD11      LEU  78   5.341  -1.863   9.691
  579   3HD1  LEU  78          HD13      LEU  78   3.728  -1.167   9.852
  580   1HD2  LEU  78          HD22      LEU  78   7.146   0.411  11.387
  581   2HD2  LEU  78          HD21      LEU  78   5.824  -0.343  12.278
  582   3HD2  LEU  78          HD23      LEU  78   6.686  -1.256  11.039
  583    H    LEU  79           HN       LEU  79   4.835   3.941   7.667
  584    HA   LEU  79           HA       LEU  79   7.260   4.570   6.283
  585   1HB   LEU  79           HB2      LEU  79   4.564   5.972   6.249
  586   2HB   LEU  79           HB1      LEU  79   5.865   6.273   5.095
  587    HG   LEU  79           HG       LEU  79   4.616   3.551   5.565
  588   1HD1  LEU  79          HD12      LEU  79   3.944   5.799   3.701
  589   2HD1  LEU  79          HD11      LEU  79   3.793   4.142   3.114
  590   3HD1  LEU  79          HD13      LEU  79   2.868   4.668   4.521
  591   1HD2  LEU  79          HD21      LEU  79   6.660   4.675   3.647
  592   2HD2  LEU  79          HD23      LEU  79   6.782   3.239   4.665
  593   3HD2  LEU  79          HD22      LEU  79   5.734   3.227   3.246
  594    H    GLN  80           HN       GLN  80   8.797   5.462   7.675
  595    HA   GLN  80           HA       GLN  80   8.285   8.259   8.547
  596   1HB   GLN  80           HB2      GLN  80   9.482   6.142  10.359
  597   2HB   GLN  80           HB1      GLN  80   9.199   7.835  10.768
  598   1HG   GLN  80           HG2      GLN  80   6.717   7.269  10.055
  599   2HG   GLN  80           HG1      GLN  80   7.215   5.615  10.415
  600   1HE2  GLN  80          HE22      GLN  80   7.284   8.330  13.518
  601   2HE2  GLN  80          HE21      GLN  80   7.608   8.874  11.943
  602    H    ASP  81           HN       ASP  81  10.445   9.130   9.493
  603    HA   ASP  81           HA       ASP  81  12.335   9.384   7.466
  604   1HB   ASP  81           HB2      ASP  81  12.787   9.646  10.460
  605   2HB   ASP  81           HB1      ASP  81  13.853  10.285   9.206
  606    H    LEU  82           HN       LEU  82  13.367   7.751   6.549
  607    HA   LEU  82           HA       LEU  82  14.666   5.616   8.154
  608   1HB   LEU  82           HB2      LEU  82  13.751   5.853   5.289
  609   2HB   LEU  82           HB1      LEU  82  14.993   4.683   5.695
  610    HG   LEU  82           HG       LEU  82  12.254   4.855   6.996
  611   1HD1  LEU  82          HD13      LEU  82  13.396   3.208   4.769
  612   2HD1  LEU  82          HD12      LEU  82  12.237   2.454   5.863
  613   3HD1  LEU  82          HD11      LEU  82  11.777   3.884   4.940
  614   1HD2  LEU  82          HD23      LEU  82  14.720   3.242   7.518
  615   2HD2  LEU  82          HD22      LEU  82  13.526   3.860   8.659
  616   3HD2  LEU  82          HD21      LEU  82  13.161   2.434   7.688
  617    HA   PRO  83           HA       PRO  83  18.653   7.287   7.459
  618   1HB   PRO  83           HB2      PRO  83  20.181   5.215   6.451
  619   2HB   PRO  83           HB1      PRO  83  19.741   5.410   8.157
  620   1HG   PRO  83           HG2      PRO  83  18.577   3.562   6.108
  621   2HG   PRO  83           HG1      PRO  83  18.759   3.331   7.856
  622   1HD   PRO  83           HD2      PRO  83  16.371   3.995   6.626
  623   2HD   PRO  83           HD1      PRO  83  16.731   4.337   8.326
  624    H    GLY  84           HN       GLY  84  18.392   8.826   5.937
  625   1HA   GLY  84           HA2      GLY  84  19.177   9.860   3.949
  626   2HA   GLY  84           HA1      GLY  84  19.411   8.273   3.210
  627    H    CYS  85           HN       CYS  85  16.372   7.911   4.458
  628    HA   CYS  85           HA       CYS  85  15.094   9.125   2.051
  629   1HB   CYS  85           HB2      CYS  85  14.739   6.437   3.300
  630   2HB   CYS  85           HB1      CYS  85  13.370   7.181   2.482
  631    HA   PRO  86           HA       PRO  86  13.024  11.042   5.699
  632   1HB   PRO  86           HB2      PRO  86  12.357  13.380   4.391
  633   2HB   PRO  86           HB1      PRO  86  13.875  13.133   5.241
  634   1HG   PRO  86           HG2      PRO  86  13.346  13.136   2.316
  635   2HG   PRO  86           HG1      PRO  86  14.834  13.547   3.185
  636   1HD   PRO  86           HD2      PRO  86  14.370  11.150   1.831
  637   2HD   PRO  86           HD1      PRO  86  15.628  11.392   3.061
  638    H    ARG  87           HN       ARG  87  10.723  11.822   5.953
  639    HA   ARG  87           HA       ARG  87   8.741  10.237   4.826
  640   1HB   ARG  87           HB2      ARG  87   8.507  13.144   5.656
  641   2HB   ARG  87           HB1      ARG  87   7.170  12.016   5.496
  642   1HG   ARG  87           HG2      ARG  87   9.250  10.900   7.182
  643   2HG   ARG  87           HG1      ARG  87   8.740  12.476   7.782
  644   1HD   ARG  87           HD2      ARG  87   6.976  10.073   7.238
  645   2HD   ARG  87           HD1      ARG  87   7.311  10.817   8.802
  646    HE   ARG  87           HE       ARG  87   5.332  11.720   6.895
  647   1HH1  ARG  87          HH11      ARG  87   7.337  13.999   7.167
  648   2HH1  ARG  87          HH12      ARG  87   6.641  14.903   8.471
  649   1HH2  ARG  87          HH21      ARG  87   4.544  12.335   9.483
  650   2HH2  ARG  87          HH22      ARG  87   5.060  13.961   9.782
  651    H    GLN  88           HN       GLN  88  10.277  13.119   3.559
  652    HA   GLN  88           HA       GLN  88   8.411  13.919   1.575
  653   1HB   GLN  88           HB2      GLN  88  11.427  14.013   1.307
  654   2HB   GLN  88           HB1      GLN  88  10.258  15.058   0.500
  655   1HG   GLN  88           HG2      GLN  88   9.777  15.146   3.342
  656   2HG   GLN  88           HG1      GLN  88  11.487  15.447   3.043
  657   1HE2  GLN  88          HE22      GLN  88   8.907  18.401   2.351
  658   2HE2  GLN  88          HE21      GLN  88   8.558  17.032   3.292
  659    H    VAL  89           HN       VAL  89  11.223  11.701   1.119
  660    HA   VAL  89           HA       VAL  89  10.637  11.057  -1.594
  661    HB   VAL  89           HB       VAL  89  12.094   9.471   0.533
  662   1HG1  VAL  89          HG12      VAL  89  11.711   9.148  -2.403
  663   2HG1  VAL  89          HG11      VAL  89  13.336   8.866  -1.778
  664   3HG1  VAL  89          HG13      VAL  89  11.979   7.920  -1.166
  665   1HG2  VAL  89          HG22      VAL  89  12.922  11.632  -1.382
  666   2HG2  VAL  89          HG21      VAL  89  13.072  11.616   0.377
  667   3HG2  VAL  89          HG23      VAL  89  14.080  10.553  -0.604
  668    H    GLN  90           HN       GLN  90   9.697   9.623   1.479
  669    HA   GLN  90           HA       GLN  90   8.393   7.293   0.429
  670   1HB   GLN  90           HB2      GLN  90   8.781   8.491   2.992
  671   2HB   GLN  90           HB1      GLN  90   7.050   8.248   2.803
  672   1HG   GLN  90           HG2      GLN  90   8.065   6.255   3.803
  673   2HG   GLN  90           HG1      GLN  90   7.452   5.880   2.194
  674   1HE2  GLN  90          HE22      GLN  90  11.510   6.457   2.161
  675   2HE2  GLN  90          HE21      GLN  90  10.503   7.664   2.792
  676    H    ARG  91           HN       ARG  91   7.446  10.646   0.674
  677    HA   ARG  91           HA       ARG  91   4.607  10.148   0.201
  678   1HB   ARG  91           HB2      ARG  91   6.045  12.302   1.174
  679   2HB   ARG  91           HB1      ARG  91   5.596  12.842  -0.444
  680   1HG   ARG  91           HG2      ARG  91   3.804  13.485   1.036
  681   2HG   ARG  91           HG1      ARG  91   3.223  12.121   0.080
  682   1HD   ARG  91           HD2      ARG  91   4.374  10.832   2.210
  683   2HD   ARG  91           HD1      ARG  91   3.755  12.293   2.977
  684    HE   ARG  91           HE       ARG  91   2.089  10.271   1.552
  685   1HH1  ARG  91          HH21      ARG  91   2.448  11.884   4.421
  686   2HH1  ARG  91          HH22      ARG  91   0.814  12.444   4.539
  687   1HH2  ARG  91          HH11      ARG  91  -0.030  11.492   1.316
  688   2HH2  ARG  91          HH12      ARG  91  -0.588  12.221   2.785
  689    H    ALA  92           HN       ALA  92   7.440  10.997  -1.752
  690    HA   ALA  92           HA       ALA  92   6.019  11.570  -4.187
  691   1HB   ALA  92           HB1      ALA  92   8.845  10.987  -3.433
  692   2HB   ALA  92           HB3      ALA  92   8.402  10.780  -5.128
  693   3HB   ALA  92           HB2      ALA  92   8.181  12.344  -4.342
  694    H    PHE  93           HN       PHE  93   7.684   8.606  -3.054
  695    HA   PHE  93           HA       PHE  93   6.734   7.027  -5.318
  696   1HB   PHE  93           HB2      PHE  93   8.875   6.453  -4.312
  697   2HB   PHE  93           HB1      PHE  93   8.112   6.240  -2.741
  698    HD1  PHE  93           HD1      PHE  93   6.547   4.337  -2.340
  699    HD2  PHE  93           HD2      PHE  93   8.735   4.739  -6.014
  700    HE1  PHE  93           HE1      PHE  93   6.020   1.987  -2.909
  701    HE2  PHE  93           HE2      PHE  93   8.213   2.381  -6.580
  702    HZ   PHE  93           HZ       PHE  93   6.852   1.005  -5.028
  703    H    ALA  94           HN       ALA  94   5.587   7.741  -2.103
  704    HA   ALA  94           HA       ALA  94   4.093   5.622  -1.289
  705   1HB   ALA  94           HB1      ALA  94   3.713   8.556  -1.113
  706   2HB   ALA  94           HB3      ALA  94   2.296   7.574  -0.740
  707   3HB   ALA  94           HB2      ALA  94   3.790   7.347   0.171
  708    HA   PRO  95           HA       PRO  95   0.396   6.559  -4.176
  709   1HB   PRO  95           HB2      PRO  95   0.814   8.275  -6.296
  710   2HB   PRO  95           HB1      PRO  95   0.150   8.776  -4.731
  711   1HG   PRO  95           HG2      PRO  95   2.886   9.209  -5.837
  712   2HG   PRO  95           HG1      PRO  95   1.982  10.181  -4.662
  713   1HD   PRO  95           HD2      PRO  95   4.043   8.386  -4.044
  714   2HD   PRO  95           HD1      PRO  95   2.890   9.038  -2.876
  715    H    LYS  96           HN       LYS  96   0.215   6.377  -6.932
  716    HA   LYS  96           HA       LYS  96   0.722   4.952  -8.732
  717   1HB   LYS  96           HB2      LYS  96   3.552   4.928  -7.638
  718   2HB   LYS  96           HB1      LYS  96   3.043   4.614  -9.297
  719   1HG   LYS  96           HG2      LYS  96   2.155   6.972  -9.390
  720   2HG   LYS  96           HG1      LYS  96   2.896   7.252  -7.813
  721   1HD   LYS  96           HD2      LYS  96   5.102   6.785  -8.694
  722   2HD   LYS  96           HD1      LYS  96   4.423   6.286 -10.246
  723   1HE   LYS  96           HE2      LYS  96   3.437   8.624 -10.433
  724   2HE   LYS  96           HE1      LYS  96   4.426   9.065  -9.041
  725   1HZ   LYS  96           HZ3      LYS  96   6.182   7.810 -10.707
  726   2HZ   LYS  96           HZ2      LYS  96   5.192   8.681 -11.778
  727   3HZ   LYS  96           HZ1      LYS  96   6.008   9.487 -10.528
  728    H    LEU  97           HN       LEU  97   0.186   3.993  -5.840
  729    HA   LEU  97           HA       LEU  97   1.562   1.459  -5.534
  730   1HB   LEU  97           HB2      LEU  97  -0.082   3.063  -3.945
  731   2HB   LEU  97           HB1      LEU  97  -1.032   1.601  -4.193
  732    HG   LEU  97           HG       LEU  97   0.396   1.404  -2.189
  733   1HD1  LEU  97          HD13      LEU  97   0.599  -0.372  -4.533
  734   2HD1  LEU  97          HD12      LEU  97   1.894  -0.587  -3.357
  735   3HD1  LEU  97          HD11      LEU  97   0.212  -0.756  -2.857
  736   1HD2  LEU  97          HD23      LEU  97   2.223   2.887  -3.502
  737   2HD2  LEU  97          HD22      LEU  97   2.662   1.815  -2.172
  738   3HD2  LEU  97          HD21      LEU  97   2.877   1.285  -3.841
  739    H    VAL  98           HN       VAL  98  -1.994   1.962  -6.162
  740    HA   VAL  98           HA       VAL  98  -2.141  -0.742  -7.290
  741    HB   VAL  98           HB       VAL  98  -4.530  -0.200  -7.556
  742   1HG1  VAL  98          HG13      VAL  98  -3.223  -0.802  -5.327
  743   2HG1  VAL  98          HG12      VAL  98  -3.859   0.771  -4.843
  744   3HG1  VAL  98          HG11      VAL  98  -4.962  -0.512  -5.343
  745   1HG2  VAL  98          HG23      VAL  98  -3.769   2.392  -7.765
  746   2HG2  VAL  98          HG22      VAL  98  -5.400   1.915  -7.291
  747   3HG2  VAL  98          HG21      VAL  98  -4.214   2.348  -6.060
  748    H    THR  99           HN       THR  99  -0.689   1.592  -8.683
  749    HA   THR  99           HA       THR  99  -2.182   1.678 -11.234
  750    HB   THR  99           HB       THR  99  -0.738   3.507 -11.874
  751    HG1  THR  99           HG1      THR  99   1.113   3.980 -10.777
  752   1HG2  THR  99          HG21      THR  99  -2.465   3.824  -9.971
  753   2HG2  THR  99          HG23      THR  99  -1.049   3.963  -8.929
  754   3HG2  THR  99          HG22      THR  99  -1.278   5.098 -10.260
  755    H    GLU 100           HN       GLU 100  -0.564   1.522 -13.270
  756    HA   GLU 100           HA       GLU 100   0.490  -1.118 -13.293
  757   1HB   GLU 100           HB2      GLU 100   0.001   0.872 -15.165
  758   2HB   GLU 100           HB1      GLU 100   1.751   0.679 -15.236
  759   1HG   GLU 100           HG2      GLU 100   0.337  -1.892 -15.101
  760   2HG   GLU 100           HG1      GLU 100  -0.110  -0.941 -16.516
  761    H    VAL 101           HN       VAL 101   1.952   1.508 -11.603
  762    HA   VAL 101           HA       VAL 101   4.705   0.648 -12.248
  763    HB   VAL 101           HB       VAL 101   3.830   2.768 -10.271
  764   1HG1  VAL 101          HG11      VAL 101   6.411   2.065 -11.677
  765   2HG1  VAL 101          HG13      VAL 101   6.147   3.642 -10.936
  766   3HG1  VAL 101          HG12      VAL 101   6.117   2.186  -9.943
  767   1HG2  VAL 101          HG21      VAL 101   2.913   3.248 -12.529
  768   2HG2  VAL 101          HG23      VAL 101   4.182   4.390 -12.088
  769   3HG2  VAL 101          HG22      VAL 101   4.530   3.075 -13.210
  770    H    GLU 102           HN       GLU 102   2.330  -0.483 -10.160
  771    HA   GLU 102           HA       GLU 102   4.429  -1.553  -8.341
  772   1HB   GLU 102           HB2      GLU 102   2.285   0.277  -7.615
  773   2HB   GLU 102           HB1      GLU 102   2.217  -1.211  -6.668
  774   1HG   GLU 102           HG2      GLU 102   4.855   0.173  -7.054
  775   2HG   GLU 102           HG1      GLU 102   3.718   0.783  -5.850
  776    H    CYS 103           HN       CYS 103   0.911  -2.016  -7.858
  777    HA   CYS 103           HA       CYS 103   1.093  -4.743  -9.064
  778   1HB   CYS 103           HB2      CYS 103   0.549  -4.098  -6.157
  779   2HB   CYS 103           HB1      CYS 103  -0.007  -5.601  -6.894
  780    H    ASN 104           HN       ASN 104  -0.356  -2.376  -9.949
  781    HA   ASN 104           HA       ASN 104  -2.886  -1.807  -9.243
  782   1HB   ASN 104           HB2      ASN 104  -3.508  -1.792 -11.731
  783   2HB   ASN 104           HB1      ASN 104  -2.142  -0.811 -11.233
  784   1HD2  ASN 104          HD22      ASN 104  -1.528  -3.397 -14.143
  785   2HD2  ASN 104          HD21      ASN 104  -3.019  -2.700 -13.727
  786    H    LEU 105           HN       LEU 105  -2.397  -4.667 -11.410
  787    HA   LEU 105           HA       LEU 105  -3.899  -6.437 -11.864
  788   1HB   LEU 105           HB2      LEU 105  -3.780  -6.222  -8.853
  789   2HB   LEU 105           HB1      LEU 105  -4.664  -7.523  -9.648
  790    HG   LEU 105           HG       LEU 105  -2.006  -7.171 -10.813
  791   1HD1  LEU 105          HD13      LEU 105  -2.274  -7.286  -7.853
  792   2HD1  LEU 105          HD12      LEU 105  -1.087  -8.370  -8.578
  793   3HD1  LEU 105          HD11      LEU 105  -0.968  -6.630  -8.842
  794   1HD2  LEU 105          HD21      LEU 105  -3.882  -9.203 -10.434
  795   2HD2  LEU 105          HD23      LEU 105  -2.254  -9.408 -11.080
  796   3HD2  LEU 105          HD22      LEU 105  -2.559  -9.660  -9.362
  797    H    ALA 106           HN       ALA 106  -5.172  -3.744 -11.888
  798    HA   ALA 106           HA       ALA 106  -7.310  -2.839 -12.124
  799   1HB   ALA 106           HB1      ALA 106  -7.681  -5.707 -12.379
  800   2HB   ALA 106           HB3      ALA 106  -9.066  -4.984 -11.560
  801   3HB   ALA 106           HB2      ALA 106  -8.579  -4.401 -13.150
  802    H    THR 107           HN       THR 107  -8.942  -2.000 -10.745
  803    HA   THR 107           HA       THR 107  -8.664  -2.752  -7.857
  804    HB   THR 107           HB       THR 107  -8.754  -0.466  -7.229
  805    HG1  THR 107           HG1      THR 107  -9.560   1.127  -8.563
  806   1HG2  THR 107          HG21      THR 107  -6.832  -1.219  -9.023
  807   2HG2  THR 107          HG23      THR 107  -7.482   0.232  -9.785
  808   3HG2  THR 107          HG22      THR 107  -6.842   0.309  -8.143
  809    H    ILE 108           HN       ILE 108 -10.895  -1.110  -7.000
  810    HA   ILE 108           HA       ILE 108 -13.117  -2.856  -7.612
  811    HB   ILE 108           HB       ILE 108 -12.963  -1.601  -5.472
  812   1HG1  ILE 108          HG12      ILE 108 -15.380  -0.459  -6.819
  813   2HG1  ILE 108          HG11      ILE 108 -15.197  -2.213  -6.791
  814   1HG2  ILE 108          HG21      ILE 108 -11.968   0.476  -6.431
  815   2HG2  ILE 108          HG23      ILE 108 -13.523   0.848  -7.173
  816   3HG2  ILE 108          HG22      ILE 108 -13.372   0.810  -5.417
  817   1HD1  ILE 108          HD12      ILE 108 -14.685  -0.800  -4.227
  818   2HD1  ILE 108          HD11      ILE 108 -16.359  -0.834  -4.779
  819   3HD1  ILE 108          HD13      ILE 108 -15.485  -2.344  -4.521
  820    H    HIS 109           HN       HIS 109 -11.925   0.196  -8.840
  821    HA   HIS 109           HA       HIS 109 -14.198   0.924 -10.465
  822   1HB   HIS 109           HB2      HIS 109 -11.282   1.718 -10.514
  823   2HB   HIS 109           HB1      HIS 109 -12.537   2.492 -11.484
  824    HD1  HIS 109           HD1      HIS 109 -14.334   3.899 -10.214
  825    HD2  HIS 109           HD2      HIS 109 -11.350   2.339  -7.761
  826    HE1  HIS 109           HE1      HIS 109 -14.551   5.073  -7.984
  827    H    GLY 110           HN       GLY 110 -12.190  -1.727 -10.882
  828   1HA   GLY 110           HA2      GLY 110 -11.683  -3.098 -12.698
  829   2HA   GLY 110           HA1      GLY 110 -13.047  -2.327 -13.509
  830    H    GLY 111           HN       GLY 111 -10.224  -0.587 -12.324
  831   1HA   GLY 111           HA2      GLY 111  -8.908  -0.454 -14.928
  832   2HA   GLY 111           HA1      GLY 111  -9.737   1.039 -14.491
  833    HA   PRO 112           HA       PRO 112  -5.506   0.799 -12.391
  834   1HB   PRO 112           HB2      PRO 112  -4.111   2.480 -14.076
  835   2HB   PRO 112           HB1      PRO 112  -4.149   0.718 -14.253
  836   1HG   PRO 112           HG2      PRO 112  -5.507   2.811 -15.874
  837   2HG   PRO 112           HG1      PRO 112  -5.056   1.162 -16.330
  838   1HD   PRO 112           HD2      PRO 112  -7.657   2.058 -15.624
  839   2HD   PRO 112           HD1      PRO 112  -7.139   0.372 -15.823
  840    H    PHE 113           HN       PHE 113  -7.199   2.115 -11.061
  841    HA   PHE 113           HA       PHE 113  -6.089   4.543 -10.190
  842   1HB   PHE 113           HB2      PHE 113  -7.693   6.237 -10.999
  843   2HB   PHE 113           HB1      PHE 113  -6.800   5.527 -12.333
  844    HD1  PHE 113           HD2      PHE 113  -7.907   3.789 -13.786
  845    HD2  PHE 113           HD1      PHE 113 -10.074   6.006 -10.811
  846    HE1  PHE 113           HE2      PHE 113 -10.040   3.183 -14.891
  847    HE2  PHE 113           HE1      PHE 113 -12.208   5.405 -11.923
  848    HZ   PHE 113           HZ       PHE 113 -12.194   3.998 -13.971
  849    H    CYS 114           HN       CYS 114  -7.363   5.543  -8.436
  850    HA   CYS 114           HA       CYS 114  -9.970   4.401  -7.769
  851   1HB   CYS 114           HB2      CYS 114  -9.338   3.396  -5.662
  852   2HB   CYS 114           HB1      CYS 114  -8.308   2.704  -6.912
  853    H    LEU 115           HN       LEU 115 -11.054   5.690  -6.101
  854    HA   LEU 115           HA       LEU 115 -11.543   7.688  -4.995
  855   1HB   LEU 115           HB2      LEU 115  -9.258   6.672  -3.874
  856   2HB   LEU 115           HB1      LEU 115  -8.720   8.283  -4.347
  857    HG   LEU 115           HG       LEU 115 -11.202   8.806  -3.258
  858   1HD1  LEU 115          HD13      LEU 115 -10.851   6.235  -2.507
  859   2HD1  LEU 115          HD12      LEU 115 -10.007   7.040  -1.184
  860   3HD1  LEU 115          HD11      LEU 115 -11.700   7.414  -1.507
  861   1HD2  LEU 115          HD23      LEU 115  -8.701   9.684  -2.872
  862   2HD2  LEU 115          HD22      LEU 115  -9.992  10.034  -1.723
  863   3HD2  LEU 115          HD21      LEU 115  -8.861   8.720  -1.403
  864    H    SER 116           HN       SER 116 -10.549  10.109  -4.796
  865    HA   SER 116           HA       SER 116 -10.216  12.112  -5.945
  866   1HB   SER 116           HB2      SER 116  -8.148  10.247  -6.915
  867   2HB   SER 116           HB1      SER 116  -8.474  11.594  -8.003
  868    HG   SER 116           HG       SER 116  -7.792  11.700  -5.246
  869    H    LEU 117           HN       LEU 117  -9.653  10.259  -8.918
  870    HA   LEU 117           HA       LEU 117 -10.802  10.244 -10.945
  871   1HB   LEU 117           HB2      LEU 117 -12.778   9.692  -8.832
  872   2HB   LEU 117           HB1      LEU 117 -13.490  10.309 -10.323
  873    HG   LEU 117           HG       LEU 117 -11.486   8.380 -11.041
  874   1HD1  LEU 117          HD11      LEU 117 -13.411   7.497  -8.881
  875   2HD1  LEU 117          HD13      LEU 117 -12.616   6.370  -9.980
  876   3HD1  LEU 117          HD12      LEU 117 -11.653   7.358  -8.880
  877   1HD2  LEU 117          HD22      LEU 117 -14.512   8.463 -11.170
  878   2HD2  LEU 117          HD21      LEU 117 -13.369   8.841 -12.458
  879   3HD2  LEU 117          HD23      LEU 117 -13.558   7.176 -11.909
  880    H    LEU 118           HN       LEU 118 -13.434  12.071  -9.402
  881    HA   LEU 118           HA       LEU 118 -13.651  14.009 -11.391
  882   1HB   LEU 118           HB2      LEU 118 -14.441  13.993  -8.491
  883   2HB   LEU 118           HB1      LEU 118 -14.620  15.458  -9.448
  884    HG   LEU 118           HG       LEU 118 -15.625  12.806 -10.465
  885   1HD1  LEU 118          HD12      LEU 118 -16.484  13.655  -8.075
  886   2HD1  LEU 118          HD11      LEU 118 -17.495  14.683  -9.090
  887   3HD1  LEU 118          HD13      LEU 118 -17.581  12.929  -9.250
  888   1HD2  LEU 118          HD23      LEU 118 -15.914  15.695 -11.129
  889   2HD2  LEU 118          HD22      LEU 118 -15.866  14.295 -12.201
  890   3HD2  LEU 118          HD21      LEU 118 -17.350  14.692 -11.334
  891    H    GLY 119           HN       GLY 119 -11.094  13.908  -9.012
  892   1HA   GLY 119           HA2      GLY 119 -10.392  16.739  -9.605
  893   2HA   GLY 119           HA1      GLY 119  -9.809  15.833  -8.208
  894    H    ALA 120           HN       ALA 120  -9.959  14.766 -11.592
  895    HA   ALA 120           HA       ALA 120  -7.057  14.137 -11.484
  896   1HB   ALA 120           HB1      ALA 120  -9.101  12.605 -12.336
  897   2HB   ALA 120           HB3      ALA 120  -8.712  13.414 -13.853
  898   3HB   ALA 120           HB2      ALA 120  -7.478  12.473 -13.014
  899    H    GLY 121           HN       GLY 121  -7.313  16.766 -11.562
  900   1HA   GLY 121           HA2      GLY 121  -7.652  18.102 -14.040
  901   2HA   GLY 121           HA1      GLY 121  -6.629  18.685 -12.728
  902    H    GLU 122           HN       GLU 122  -5.045  16.093 -12.870
  903    HA   GLU 122           HA       GLU 122  -3.045  15.380 -13.861
  904   1HB   GLU 122           HB2      GLU 122  -4.726  16.142 -16.249
  905   2HB   GLU 122           HB1      GLU 122  -3.088  15.513 -16.442
  906   1HG   GLU 122           HG2      GLU 122  -3.744  13.529 -15.057
  907   2HG   GLU 122           HG1      GLU 122  -5.400  14.137 -15.044
   
  No H/Q in entry =         907
  Start of MODEL           7
 Raw file had  930 H/Q atoms
  Start of MODEL    7
    1   1H    SER   1           HT3      SER   1 -24.466   7.304   9.394
    2   2H    SER   1           HT2      SER   1 -25.544   8.548   9.815
    3   3H    SER   1           HT1      SER   1 -25.686   7.770   8.312
    4    HA   SER   1           HA       SER   1 -24.610   9.644   7.641
    5   1HB   SER   1           HB2      SER   1 -23.913   9.723  10.478
    6   2HB   SER   1           HB1      SER   1 -22.579  10.235   9.449
    7    HG   SER   1           HG       SER   1 -23.821  12.022   9.781
    8    H    VAL   2           HN       VAL   2 -21.972   8.354   9.621
    9    HA   VAL   2           HA       VAL   2 -20.156   8.074   7.483
   10    HB   VAL   2           HB       VAL   2 -19.119   6.260   9.088
   11   1HG1  VAL   2          HG11      VAL   2 -19.504   9.187   9.772
   12   2HG1  VAL   2          HG13      VAL   2 -18.342   8.142  10.589
   13   3HG1  VAL   2          HG12      VAL   2 -18.174   8.469   8.864
   14   1HG2  VAL   2          HG23      VAL   2 -21.623   6.597  10.276
   15   2HG2  VAL   2          HG22      VAL   2 -20.221   5.824  11.016
   16   3HG2  VAL   2          HG21      VAL   2 -20.537   7.535  11.301
   17    H    GLY   3           HN       GLY   3 -20.640   5.000   9.026
   18   1HA   GLY   3           HA2      GLY   3 -22.406   3.646   7.376
   19   2HA   GLY   3           HA1      GLY   3 -20.903   3.689   6.451
   20    H    THR   4           HN       THR   4 -20.231   1.558   6.637
   21    HA   THR   4           HA       THR   4 -19.907   0.512   9.425
   22    HB   THR   4           HB       THR   4 -21.471  -0.823   8.062
   23    HG1  THR   4           HG1      THR   4 -20.469  -2.188   9.344
   24   1HG2  THR   4          HG23      THR   4 -20.492  -0.207   5.858
   25   2HG2  THR   4          HG22      THR   4 -19.097  -1.223   6.221
   26   3HG2  THR   4          HG21      THR   4 -20.694  -1.949   6.038
   27    H    SER   5           HN       SER   5 -18.045   2.158   7.572
   28    HA   SER   5           HA       SER   5 -15.788   2.095   6.877
   29   1HB   SER   5           HB2      SER   5 -15.598   0.426   9.401
   30   2HB   SER   5           HB1      SER   5 -14.291   1.337   8.649
   31    HG   SER   5           HG       SER   5 -16.389   2.185  10.220
   32    H    CYS   6           HN       CYS   6 -13.802   0.168   7.139
   33    HA   CYS   6           HA       CYS   6 -14.862  -1.964   5.350
   34   1HB   CYS   6           HB2      CYS   6 -12.097  -0.857   5.853
   35   2HB   CYS   6           HB1      CYS   6 -12.333  -2.404   5.040
   36    H    ILE   7           HN       ILE   7 -15.254  -3.916   6.270
   37    HA   ILE   7           HA       ILE   7 -14.942  -4.678   8.896
   38    HB   ILE   7           HB       ILE   7 -14.579  -7.072   7.871
   39   1HG1  ILE   7          HG12      ILE   7 -15.643  -5.763   5.399
   40   2HG1  ILE   7          HG11      ILE   7 -13.898  -5.748   5.660
   41   1HG2  ILE   7          HG22      ILE   7 -16.748  -5.686   8.612
   42   2HG2  ILE   7          HG21      ILE   7 -17.083  -5.784   6.883
   43   3HG2  ILE   7          HG23      ILE   7 -16.875  -7.260   7.826
   44   1HD1  ILE   7          HD12      ILE   7 -14.766  -8.362   6.296
   45   2HD1  ILE   7          HD11      ILE   7 -15.571  -7.929   4.788
   46   3HD1  ILE   7          HD13      ILE   7 -13.812  -7.862   4.899
   47    HA   PRO   8           HA       PRO   8 -10.400  -4.646   8.901
   48   1HB   PRO   8           HB2      PRO   8 -10.172  -4.192  11.603
   49   2HB   PRO   8           HB1      PRO   8 -10.402  -2.903  10.408
   50   1HG   PRO   8           HG2      PRO   8 -12.370  -4.048  12.335
   51   2HG   PRO   8           HG1      PRO   8 -12.316  -2.431  11.613
   52   1HD   PRO   8           HD2      PRO   8 -14.009  -4.543  10.810
   53   2HD   PRO   8           HD1      PRO   8 -13.695  -3.052   9.899
   54    H    GLY   9           HN       GLY   9  -8.847  -6.182   9.925
   55   1HA   GLY   9           HA2      GLY   9  -8.237  -8.302  10.707
   56   2HA   GLY   9           HA1      GLY   9  -9.584  -8.159  11.833
   57    H    MET  10           HN       MET  10 -10.546  -7.801   8.590
   58    HA   MET  10           HA       MET  10 -11.329 -10.685   8.409
   59   1HB   MET  10           HB2      MET  10 -12.996  -8.220   7.850
   60   2HB   MET  10           HB1      MET  10 -13.453  -9.838   7.317
   61   1HG   MET  10           HG2      MET  10 -14.278 -10.302   9.356
   62   2HG   MET  10           HG1      MET  10 -12.712  -9.954  10.088
   63   1HE   MET  10           HE3      MET  10 -13.514  -9.433  11.995
   64   2HE   MET  10           HE2      MET  10 -13.825  -7.777  12.511
   65   3HE   MET  10           HE1      MET  10 -15.176  -8.853  12.165
   66    H    ALA  11           HN       ALA  11  -9.639 -11.117   6.753
   67    HA   ALA  11           HA       ALA  11  -9.091 -11.310   4.452
   68   1HB   ALA  11           HB2      ALA  11 -11.532 -10.111   4.208
   69   2HB   ALA  11           HB1      ALA  11 -10.480  -8.827   3.613
   70   3HB   ALA  11           HB3      ALA  11 -10.454 -10.415   2.846
   71    H    ILE  12           HN       ILE  12  -9.499  -7.901   5.436
   72    HA   ILE  12           HA       ILE  12  -6.745  -7.315   4.536
   73    HB   ILE  12           HB       ILE  12  -8.954  -5.506   5.560
   74   1HG1  ILE  12          HG12      ILE  12  -7.868  -5.481   2.765
   75   2HG1  ILE  12          HG11      ILE  12  -9.030  -6.732   3.212
   76   1HG2  ILE  12          HG23      ILE  12  -6.288  -4.972   5.671
   77   2HG2  ILE  12          HG22      ILE  12  -6.660  -4.408   4.043
   78   3HG2  ILE  12          HG21      ILE  12  -7.521  -3.735   5.427
   79   1HD1  ILE  12          HD13      ILE  12 -10.483  -4.835   4.141
   80   2HD1  ILE  12          HD12      ILE  12  -9.406  -3.733   3.284
   81   3HD1  ILE  12          HD11      ILE  12 -10.346  -4.926   2.386
   82    HA   PRO  13           HA       PRO  13  -6.088  -7.960   8.982
   83   1HB   PRO  13           HB2      PRO  13  -3.422  -8.598   8.813
   84   2HB   PRO  13           HB1      PRO  13  -4.737  -9.756   8.561
   85   1HG   PRO  13           HG2      PRO  13  -2.911  -8.547   6.567
   86   2HG   PRO  13           HG1      PRO  13  -3.890 -10.016   6.437
   87   1HD   PRO  13           HD2      PRO  13  -4.448  -7.433   5.329
   88   2HD   PRO  13           HD1      PRO  13  -5.488  -8.877   5.257
   89    H    HIS  14           HN       HIS  14  -4.467  -7.052  10.576
   90    HA   HIS  14           HA       HIS  14  -4.194  -4.222  10.201
   91   1HB   HIS  14           HB2      HIS  14  -2.930  -6.031  12.297
   92   2HB   HIS  14           HB1      HIS  14  -3.226  -4.310  12.437
   93    HD1  HIS  14           HD1      HIS  14  -5.452  -3.609  13.386
   94    HD2  HIS  14           HD2      HIS  14  -5.473  -7.561  12.069
   95    HE1  HIS  14           HE1      HIS  14  -7.698  -4.582  14.063
   96    H    ASN  15           HN       ASN  15  -2.151  -3.024   9.926
   97    HA   ASN  15           HA       ASN  15   0.050  -2.713   9.166
   98   1HB   ASN  15           HB2      ASN  15   0.211  -4.828  10.931
   99   2HB   ASN  15           HB1      ASN  15   0.900  -5.511   9.457
  100   1HD2  ASN  15          HD22      ASN  15   2.966  -2.692  11.525
  101   2HD2  ASN  15          HD21      ASN  15   1.428  -3.199  12.033
  102    HA   PRO  16           HA       PRO  16  -1.236  -4.955   5.284
  103   1HB   PRO  16           HB2      PRO  16  -2.162  -2.749   3.946
  104   2HB   PRO  16           HB1      PRO  16  -3.184  -3.769   4.973
  105   1HG   PRO  16           HG2      PRO  16  -2.077  -1.054   5.529
  106   2HG   PRO  16           HG1      PRO  16  -3.548  -1.815   6.156
  107   1HD   PRO  16           HD2      PRO  16  -1.102  -1.557   7.558
  108   2HD   PRO  16           HD1      PRO  16  -2.461  -2.610   8.001
  109    H    LEU  17           HN       LEU  17  -0.397  -4.565   3.082
  110    HA   LEU  17           HA       LEU  17   1.597  -4.352   1.821
  111   1HB   LEU  17           HB2      LEU  17   0.166  -1.820   2.193
  112   2HB   LEU  17           HB1      LEU  17   1.842  -1.612   1.683
  113    HG   LEU  17           HG       LEU  17   1.094  -3.651   0.051
  114   1HD1  LEU  17          HD11      LEU  17  -1.336  -2.647   1.149
  115   2HD1  LEU  17          HD13      LEU  17  -1.266  -2.131  -0.536
  116   3HD1  LEU  17          HD12      LEU  17  -1.140  -3.843  -0.131
  117   1HD2  LEU  17          HD22      LEU  17   2.157  -1.420  -0.504
  118   2HD2  LEU  17          HD21      LEU  17   0.996  -1.992  -1.702
  119   3HD2  LEU  17          HD23      LEU  17   0.533  -0.733  -0.557
  120    H    ASP  18           HN       ASP  18   2.491  -4.903   4.395
  121    HA   ASP  18           HA       ASP  18   4.333  -2.829   5.292
  122   1HB   ASP  18           HB2      ASP  18   5.204  -4.552   6.820
  123   2HB   ASP  18           HB1      ASP  18   3.439  -4.546   6.847
  124    H    SER  19           HN       SER  19   4.511  -5.662   3.222
  125    HA   SER  19           HA       SER  19   7.357  -5.775   2.937
  126   1HB   SER  19           HB2      SER  19   6.712  -7.564   1.725
  127   2HB   SER  19           HB1      SER  19   5.043  -7.029   1.780
  128    HG   SER  19           HG       SER  19   5.913  -7.213  -0.363
  129    H    CYS  20           HN       CYS  20   4.811  -4.103   1.197
  130    HA   CYS  20           HA       CYS  20   6.389  -2.869  -0.809
  131   1HB   CYS  20           HB2      CYS  20   3.935  -1.709   0.519
  132   2HB   CYS  20           HB1      CYS  20   4.534  -1.360  -1.106
  133    H    ARG  21           HN       ARG  21   5.598  -1.841   2.495
  134    HA   ARG  21           HA       ARG  21   6.730   0.749   2.368
  135   1HB   ARG  21           HB2      ARG  21   5.915   0.760   4.463
  136   2HB   ARG  21           HB1      ARG  21   5.651  -0.975   4.373
  137   1HG   ARG  21           HG2      ARG  21   7.042  -0.506   6.302
  138   2HG   ARG  21           HG1      ARG  21   8.039  -1.310   5.094
  139   1HD   ARG  21           HD2      ARG  21   9.315   0.553   4.721
  140   2HD   ARG  21           HD1      ARG  21   7.947   1.649   4.915
  141    HE   ARG  21           HE       ARG  21   8.807   0.383   7.408
  142   1HH1  ARG  21          HH21      ARG  21   9.387   2.908   5.129
  143   2HH1  ARG  21          HH22      ARG  21   9.959   4.029   6.318
  144   1HH2  ARG  21          HH11      ARG  21   9.470   1.866   8.985
  145   2HH2  ARG  21          HH12      ARG  21  10.006   3.440   8.500
  146    H    TRP  22           HN       TRP  22   8.264  -2.326   3.415
  147    HA   TRP  22           HA       TRP  22  10.853  -1.085   3.663
  148   1HB   TRP  22           HB2      TRP  22   9.997  -3.956   3.603
  149   2HB   TRP  22           HB1      TRP  22  11.697  -3.527   3.491
  150    HD1  TRP  22           HD1      TRP  22   9.318  -4.313   6.039
  151    HE1  TRP  22           HE1      TRP  22   9.987  -3.261   8.315
  152    HE3  TRP  22           HE3      TRP  22  12.744  -1.058   4.397
  153    HZ2  TRP  22           HZ2      TRP  22  11.817  -1.220   9.270
  154    HZ3  TRP  22           HZ3      TRP  22  13.975   0.459   5.956
  155    HH2  TRP  22           HH2      TRP  22  13.508   0.371   8.394
  156    H    TYR  23           HN       TYR  23   9.133  -2.431   0.944
  157    HA   TYR  23           HA       TYR  23  11.432  -2.824  -0.741
  158   1HB   TYR  23           HB2      TYR  23   9.262  -3.819  -1.290
  159   2HB   TYR  23           HB1      TYR  23   8.562  -2.221  -1.528
  160    HD1  TYR  23           HD1      TYR  23  11.900  -3.609  -2.512
  161    HD2  TYR  23           HD2      TYR  23   8.139  -2.009  -3.834
  162    HE1  TYR  23           HE1      TYR  23  12.721  -3.611  -4.850
  163    HE2  TYR  23           HE2      TYR  23   8.962  -2.011  -6.174
  164    HH   TYR  23           HH       TYR  23  10.998  -2.040  -7.407
  165    H    VAL  24           HN       VAL  24   9.429  -0.020   0.069
  166    HA   VAL  24           HA       VAL  24  10.626   1.651  -1.991
  167    HB   VAL  24           HB       VAL  24   9.232   2.427   0.582
  168   1HG1  VAL  24          HG12      VAL  24  10.869   4.116  -0.271
  169   2HG1  VAL  24          HG11      VAL  24   9.999   4.136  -1.806
  170   3HG1  VAL  24          HG13      VAL  24   9.202   4.688  -0.331
  171   1HG2  VAL  24          HG22      VAL  24   7.850   1.251  -1.176
  172   2HG2  VAL  24          HG21      VAL  24   7.322   2.899  -0.837
  173   3HG2  VAL  24          HG23      VAL  24   8.261   2.556  -2.289
  174    H    SER  25           HN       SER  25  11.178   1.034   1.465
  175    HA   SER  25           HA       SER  25  13.213   2.929   1.909
  176   1HB   SER  25           HB2      SER  25  13.767   0.337   3.161
  177   2HB   SER  25           HB1      SER  25  13.454   1.902   3.904
  178    HG   SER  25           HG       SER  25  11.590   1.033   4.356
  179    H    THR  26           HN       THR  26  13.456  -0.330   0.484
  180    HA   THR  26           HA       THR  26  16.355  -0.212   0.255
  181    HB   THR  26           HB       THR  26  14.234  -2.083  -0.796
  182    HG1  THR  26           HG1      THR  26  15.157  -3.438   0.671
  183   1HG2  THR  26          HG23      THR  26  17.218  -2.176  -1.336
  184   2HG2  THR  26          HG22      THR  26  16.099  -3.500  -1.656
  185   3HG2  THR  26          HG21      THR  26  15.944  -1.981  -2.538
  186    H    ARG  27           HN       ARG  27  13.751  -0.088  -2.206
  187    HA   ARG  27           HA       ARG  27  15.469   0.413  -4.404
  188   1HB   ARG  27           HB2      ARG  27  13.101  -0.212  -4.670
  189   2HB   ARG  27           HB1      ARG  27  12.613   1.346  -4.004
  190   1HG   ARG  27           HG2      ARG  27  13.655   2.525  -5.852
  191   2HG   ARG  27           HG1      ARG  27  14.324   1.018  -6.482
  192   1HD   ARG  27           HD2      ARG  27  11.448   0.815  -6.079
  193   2HD   ARG  27           HD1      ARG  27  11.855   2.143  -7.165
  194    HE   ARG  27           HE       ARG  27  13.120  -0.483  -7.704
  195   1HH1  ARG  27          HH11      ARG  27  10.105   0.898  -8.129
  196   2HH1  ARG  27          HH12      ARG  27  10.092   0.780  -9.857
  197   1HH2  ARG  27          HH21      ARG  27  13.413  -0.191 -10.082
  198   2HH2  ARG  27          HH22      ARG  27  11.964   0.164 -10.961
  199    H    THR  28           HN       THR  28  14.366   2.537  -1.876
  200    HA   THR  28           HA       THR  28  15.166   4.933  -3.400
  201    HB   THR  28           HB       THR  28  14.241   6.181  -1.480
  202    HG1  THR  28           HG1      THR  28  14.287   3.628  -0.380
  203   1HG2  THR  28          HG22      THR  28  12.855   4.483  -3.252
  204   2HG2  THR  28          HG21      THR  28  12.053   4.329  -1.690
  205   3HG2  THR  28          HG23      THR  28  12.234   5.916  -2.435
  206    H    CYS  29           HN       CYS  29  15.951   3.907  -0.019
  207    HA   CYS  29           HA       CYS  29  18.585   5.223  -0.366
  208   1HB   CYS  29           HB2      CYS  29  17.109   4.260   2.101
  209   2HB   CYS  29           HB1      CYS  29  18.723   4.970   2.129
  210    H    GLY  30           HN       GLY  30  17.652   2.406  -1.266
  211   1HA   GLY  30           HA2      GLY  30  18.640   0.271  -1.415
  212   2HA   GLY  30           HA1      GLY  30  20.144   1.077  -0.970
  213    H    VAL  31           HN       VAL  31  17.605   1.486   1.302
  214    HA   VAL  31           HA       VAL  31  18.982  -0.422   3.135
  215    HB   VAL  31           HB       VAL  31  17.095   1.890   3.685
  216   1HG1  VAL  31          HG12      VAL  31  18.140  -0.331   5.379
  217   2HG1  VAL  31          HG11      VAL  31  18.105   1.280   6.095
  218   3HG1  VAL  31          HG13      VAL  31  16.616   0.550   5.496
  219   1HG2  VAL  31          HG22      VAL  31  19.557   2.278   2.991
  220   2HG2  VAL  31          HG21      VAL  31  19.010   3.042   4.483
  221   3HG2  VAL  31          HG23      VAL  31  19.972   1.565   4.550
  222    H    GLY  32           HN       GLY  32  17.642  -1.877   4.442
  223   1HA   GLY  32           HA2      GLY  32  15.049  -2.346   4.707
  224   2HA   GLY  32           HA1      GLY  32  15.212  -2.646   2.972
  225    HA   PRO  33           HA       PRO  33  16.421  -6.503   5.466
  226   1HB   PRO  33           HB2      PRO  33  14.525  -8.224   4.397
  227   2HB   PRO  33           HB1      PRO  33  14.323  -7.339   5.918
  228   1HG   PRO  33           HG2      PRO  33  13.168  -6.752   3.217
  229   2HG   PRO  33           HG1      PRO  33  12.463  -6.493   4.824
  230   1HD   PRO  33           HD2      PRO  33  13.554  -4.482   3.304
  231   2HD   PRO  33           HD1      PRO  33  13.454  -4.440   5.081
  232    H    ARG  34           HN       ARG  34  17.011  -8.741   4.247
  233    HA   ARG  34           HA       ARG  34  18.350  -7.893   1.765
  234   1HB   ARG  34           HB2      ARG  34  19.548 -10.053   1.978
  235   2HB   ARG  34           HB1      ARG  34  19.650  -9.103   3.461
  236   1HG   ARG  34           HG2      ARG  34  17.282 -10.814   3.409
  237   2HG   ARG  34           HG1      ARG  34  18.778 -11.740   3.274
  238   1HD   ARG  34           HD2      ARG  34  19.391 -11.276   5.410
  239   2HD   ARG  34           HD1      ARG  34  18.899  -9.588   5.277
  240    HE   ARG  34           HE       ARG  34  16.777 -10.183   6.152
  241   1HH1  ARG  34          HH21      ARG  34  15.604 -12.241   4.721
  242   2HH1  ARG  34          HH22      ARG  34  15.843 -13.688   5.645
  243   1HH2  ARG  34          HH11      ARG  34  18.393 -12.349   7.576
  244   2HH2  ARG  34          HH12      ARG  34  17.422 -13.748   7.261
  245    H    LEU  35           HN       LEU  35  16.380  -7.803   0.481
  246    HA   LEU  35           HA       LEU  35  15.674 -10.482  -0.611
  247   1HB   LEU  35           HB2      LEU  35  13.848  -9.789   0.928
  248   2HB   LEU  35           HB1      LEU  35  13.667  -8.290   0.014
  249    HG   LEU  35           HG       LEU  35  13.022  -9.498  -1.974
  250   1HD1  LEU  35          HD13      LEU  35  13.896 -11.892  -0.359
  251   2HD1  LEU  35          HD12      LEU  35  12.790 -12.068  -1.720
  252   3HD1  LEU  35          HD11      LEU  35  14.407 -11.413  -1.978
  253   1HD2  LEU  35          HD21      LEU  35  11.674 -10.262   0.600
  254   2HD2  LEU  35          HD23      LEU  35  11.087  -9.222  -0.698
  255   3HD2  LEU  35          HD22      LEU  35  11.106 -10.973  -0.911
  256    H    ALA  36           HN       ALA  36  15.901 -10.450  -2.814
  257    HA   ALA  36           HA       ALA  36  16.894  -8.242  -4.232
  258   1HB   ALA  36           HB2      ALA  36  15.275 -10.596  -5.242
  259   2HB   ALA  36           HB1      ALA  36  16.113  -9.454  -6.294
  260   3HB   ALA  36           HB3      ALA  36  17.033 -10.464  -5.180
  261    H    THR  37           HN       THR  37  15.781  -6.938  -5.950
  262    HA   THR  37           HA       THR  37  13.414  -5.667  -4.918
  263    HB   THR  37           HB       THR  37  13.448  -4.670  -7.356
  264    HG1  THR  37           HG1      THR  37  14.875  -5.641  -8.531
  265   1HG2  THR  37          HG22      THR  37  14.725  -4.051  -4.929
  266   2HG2  THR  37          HG21      THR  37  15.956  -3.847  -6.174
  267   3HG2  THR  37          HG23      THR  37  14.435  -2.960  -6.283
  268    H    GLN  38           HN       GLN  38  13.821  -7.453  -8.013
  269    HA   GLN  38           HA       GLN  38  11.165  -7.615  -8.770
  270   1HB   GLN  38           HB2      GLN  38  13.392  -8.761  -9.726
  271   2HB   GLN  38           HB1      GLN  38  12.689 -10.173  -8.935
  272   1HG   GLN  38           HG2      GLN  38  10.537  -8.939 -10.246
  273   2HG   GLN  38           HG1      GLN  38  11.874  -8.863 -11.395
  274   1HE2  GLN  38          HE22      GLN  38  10.142 -12.189 -11.730
  275   2HE2  GLN  38          HE21      GLN  38   9.615 -10.579 -11.834
  276    H    GLU  39           HN       GLU  39  12.762 -10.068  -6.700
  277    HA   GLU  39           HA       GLU  39  10.522 -11.605  -6.061
  278   1HB   GLU  39           HB2      GLU  39  12.792 -10.796  -4.218
  279   2HB   GLU  39           HB1      GLU  39  11.684 -12.139  -3.930
  280   1HG   GLU  39           HG2      GLU  39  13.421 -11.887  -6.400
  281   2HG   GLU  39           HG1      GLU  39  13.864 -12.832  -4.978
  282    H    MET  40           HN       MET  40  11.593  -8.582  -4.505
  283    HA   MET  40           HA       MET  40   9.611  -8.497  -2.470
  284   1HB   MET  40           HB2      MET  40  11.678  -6.928  -2.997
  285   2HB   MET  40           HB1      MET  40  10.479  -5.996  -3.884
  286   1HG   MET  40           HG2      MET  40  10.487  -6.671  -0.938
  287   2HG   MET  40           HG1      MET  40  10.511  -5.077  -1.683
  288   1HE   MET  40           HE1      MET  40   9.005  -4.844  -3.685
  289   2HE   MET  40           HE3      MET  40   7.304  -5.323  -3.778
  290   3HE   MET  40           HE2      MET  40   7.785  -3.957  -2.776
  291    H    LYS  41           HN       LYS  41   9.624  -6.699  -5.551
  292    HA   LYS  41           HA       LYS  41   7.048  -5.742  -5.648
  293   1HB   LYS  41           HB2      LYS  41   8.782  -5.540  -7.473
  294   2HB   LYS  41           HB1      LYS  41   8.339  -7.167  -7.992
  295   1HG   LYS  41           HG2      LYS  41   5.923  -6.293  -8.104
  296   2HG   LYS  41           HG1      LYS  41   6.627  -4.679  -7.986
  297   1HD   LYS  41           HD2      LYS  41   8.198  -5.687  -9.930
  298   2HD   LYS  41           HD1      LYS  41   6.737  -6.631 -10.227
  299   1HE   LYS  41           HE2      LYS  41   5.484  -4.778 -10.799
  300   2HE   LYS  41           HE1      LYS  41   6.424  -3.695  -9.772
  301   1HZ   LYS  41           HZ1      LYS  41   7.839  -4.928 -11.995
  302   2HZ   LYS  41           HZ3      LYS  41   6.673  -3.767 -12.405
  303   3HZ   LYS  41           HZ2      LYS  41   7.955  -3.353 -11.370
  304    H    ALA  42           HN       ALA  42   8.073  -9.079  -5.994
  305    HA   ALA  42           HA       ALA  42   5.555 -10.134  -6.907
  306   1HB   ALA  42           HB1      ALA  42   8.143 -11.177  -6.061
  307   2HB   ALA  42           HB3      ALA  42   6.812 -12.168  -5.466
  308   3HB   ALA  42           HB2      ALA  42   6.979 -11.862  -7.195
  309    H    ARG  43           HN       ARG  43   7.061 -10.035  -3.639
  310    HA   ARG  43           HA       ARG  43   4.849 -11.204  -2.295
  311   1HB   ARG  43           HB2      ARG  43   5.726  -9.873  -0.270
  312   2HB   ARG  43           HB1      ARG  43   6.825 -11.036  -1.012
  313   1HG   ARG  43           HG2      ARG  43   7.989  -9.302  -2.192
  314   2HG   ARG  43           HG1      ARG  43   6.780  -8.103  -1.749
  315   1HD   ARG  43           HD2      ARG  43   9.150  -8.792  -0.330
  316   2HD   ARG  43           HD1      ARG  43   7.911  -7.635   0.142
  317    HE   ARG  43           HE       ARG  43   6.745  -9.607   1.249
  318   1HH1  ARG  43          HH21      ARG  43   9.316 -11.088  -0.073
  319   2HH1  ARG  43          HH22      ARG  43  10.074 -11.592   1.401
  320   1HH2  ARG  43          HH11      ARG  43   8.052  -9.626   3.420
  321   2HH2  ARG  43          HH12      ARG  43   9.357 -10.764   3.381
  322    H    CYS  44           HN       CYS  44   5.499  -7.771  -3.086
  323    HA   CYS  44           HA       CYS  44   3.215  -6.755  -1.673
  324   1HB   CYS  44           HB2      CYS  44   4.902  -5.686  -3.908
  325   2HB   CYS  44           HB1      CYS  44   3.392  -4.877  -3.480
  326    H    CYS  45           HN       CYS  45   3.584  -8.041  -4.999
  327    HA   CYS  45           HA       CYS  45   0.931  -7.220  -5.817
  328   1HB   CYS  45           HB2      CYS  45   2.924  -9.212  -6.890
  329   2HB   CYS  45           HB1      CYS  45   1.294  -9.136  -7.548
  330    H    ARG  46           HN       ARG  46   2.228 -10.038  -4.152
  331    HA   ARG  46           HA       ARG  46  -0.205 -11.601  -4.387
  332   1HB   ARG  46           HB2      ARG  46   2.226 -12.339  -3.722
  333   2HB   ARG  46           HB1      ARG  46   1.731 -11.891  -2.099
  334   1HG   ARG  46           HG2      ARG  46  -0.390 -13.403  -3.267
  335   2HG   ARG  46           HG1      ARG  46   1.114 -14.294  -3.501
  336   1HD   ARG  46           HD2      ARG  46   1.494 -14.529  -1.230
  337   2HD   ARG  46           HD1      ARG  46   0.607 -13.060  -0.823
  338    HE   ARG  46           HE       ARG  46  -1.334 -14.379  -0.632
  339   1HH1  ARG  46          HH11      ARG  46   1.123 -16.518  -1.000
  340   2HH1  ARG  46          HH12      ARG  46   0.219 -17.741  -1.831
  341   1HH2  ARG  46          HH21      ARG  46  -2.539 -15.713  -2.368
  342   2HH2  ARG  46          HH22      ARG  46  -1.851 -17.286  -2.603
  343    H    GLN  47           HN       GLN  47   1.062  -9.192  -2.177
  344    HA   GLN  47           HA       GLN  47  -1.034  -9.565  -0.183
  345   1HB   GLN  47           HB2      GLN  47   0.692  -7.107  -0.524
  346   2HB   GLN  47           HB1      GLN  47  -0.035  -7.732   0.958
  347   1HG   GLN  47           HG2      GLN  47   1.569  -9.811  -0.172
  348   2HG   GLN  47           HG1      GLN  47   2.540  -8.338  -0.133
  349   1HE2  GLN  47          HE22      GLN  47   2.142  -8.036   3.506
  350   2HE2  GLN  47          HE21      GLN  47   1.994  -7.052   2.130
  351    H    LEU  48           HN       LEU  48  -0.593  -7.596  -3.055
  352    HA   LEU  48           HA       LEU  48  -2.791  -5.791  -2.463
  353   1HB   LEU  48           HB2      LEU  48  -0.856  -5.313  -4.062
  354   2HB   LEU  48           HB1      LEU  48  -1.643  -6.407  -5.200
  355    HG   LEU  48           HG       LEU  48  -3.606  -4.590  -4.161
  356   1HD1  LEU  48          HD11      LEU  48  -1.165  -3.362  -4.050
  357   2HD1  LEU  48          HD13      LEU  48  -1.662  -2.978  -5.699
  358   3HD1  LEU  48          HD12      LEU  48  -2.684  -2.513  -4.338
  359   1HD2  LEU  48          HD22      LEU  48  -2.416  -5.391  -6.780
  360   2HD2  LEU  48          HD21      LEU  48  -4.099  -5.421  -6.258
  361   3HD2  LEU  48          HD23      LEU  48  -3.353  -3.898  -6.740
  362    H    GLU  49           HN       GLU  49  -2.372  -8.801  -4.301
  363    HA   GLU  49           HA       GLU  49  -5.069  -8.812  -5.346
  364   1HB   GLU  49           HB2      GLU  49  -2.749 -10.451  -5.575
  365   2HB   GLU  49           HB1      GLU  49  -4.053 -11.484  -4.990
  366   1HG   GLU  49           HG2      GLU  49  -5.495 -10.776  -6.824
  367   2HG   GLU  49           HG1      GLU  49  -4.269  -9.638  -7.384
  368    H    ALA  50           HN       ALA  50  -3.510 -10.569  -2.620
  369    HA   ALA  50           HA       ALA  50  -5.788 -11.818  -1.552
  370   1HB   ALA  50           HB3      ALA  50  -3.527 -10.431  -0.065
  371   2HB   ALA  50           HB2      ALA  50  -4.699 -11.510   0.694
  372   3HB   ALA  50           HB1      ALA  50  -3.587 -12.131  -0.527
  373    H    ILE  51           HN       ILE  51  -4.561  -8.555  -0.864
  374    HA   ILE  51           HA       ILE  51  -6.785  -7.611   0.648
  375    HB   ILE  51           HB       ILE  51  -4.809  -6.168  -1.148
  376   1HG1  ILE  51          HG12      ILE  51  -3.917  -7.331   0.882
  377   2HG1  ILE  51          HG11      ILE  51  -3.724  -5.580   0.954
  378   1HG2  ILE  51          HG22      ILE  51  -7.231  -5.146  -0.365
  379   2HG2  ILE  51          HG21      ILE  51  -6.190  -4.651   0.970
  380   3HG2  ILE  51          HG23      ILE  51  -5.791  -4.178  -0.681
  381   1HD1  ILE  51          HD12      ILE  51  -6.298  -6.344   2.028
  382   2HD1  ILE  51          HD11      ILE  51  -5.008  -7.221   2.852
  383   3HD1  ILE  51          HD13      ILE  51  -4.990  -5.457   2.810
  384    HA   PRO  52           HA       PRO  52  -9.477  -8.072  -2.925
  385   1HB   PRO  52           HB2      PRO  52 -11.794  -7.470  -1.548
  386   2HB   PRO  52           HB1      PRO  52 -11.049  -9.077  -1.612
  387   1HG   PRO  52           HG2      PRO  52 -10.967  -7.048   0.596
  388   2HG   PRO  52           HG1      PRO  52 -10.971  -8.819   0.697
  389   1HD   PRO  52           HD2      PRO  52  -8.694  -7.270   1.012
  390   2HD   PRO  52           HD1      PRO  52  -8.673  -8.966   0.482
  391    H    ALA  53           HN       ALA  53 -10.098  -6.601  -4.398
  392    HA   ALA  53           HA       ALA  53  -9.368  -4.016  -4.575
  393   1HB   ALA  53           HB3      ALA  53 -11.299  -5.632  -5.882
  394   2HB   ALA  53           HB2      ALA  53 -12.053  -4.068  -5.576
  395   3HB   ALA  53           HB1      ALA  53 -10.541  -4.156  -6.479
  396    H    TYR  54           HN       TYR  54 -12.220  -5.093  -2.756
  397    HA   TYR  54           HA       TYR  54 -13.185  -2.436  -2.196
  398   1HB   TYR  54           HB2      TYR  54 -13.755  -5.178  -1.268
  399   2HB   TYR  54           HB1      TYR  54 -14.038  -3.927  -0.057
  400    HD1  TYR  54           HD2      TYR  54 -15.612  -2.057  -0.522
  401    HD2  TYR  54           HD1      TYR  54 -15.119  -5.337  -3.251
  402    HE1  TYR  54           HE2      TYR  54 -17.714  -1.417  -1.672
  403    HE2  TYR  54           HE1      TYR  54 -17.220  -4.697  -4.401
  404    HH   TYR  54           HH       TYR  54 -19.317  -2.173  -3.126
  405    H    CYS  55           HN       CYS  55 -12.079  -0.952  -1.038
  406    HA   CYS  55           HA       CYS  55 -10.886  -0.024   0.776
  407   1HB   CYS  55           HB2      CYS  55 -10.556  -2.811   1.895
  408   2HB   CYS  55           HB1      CYS  55 -10.510  -1.274   2.753
  409    H    ARG  56           HN       ARG  56  -9.785  -2.230  -1.483
  410    HA   ARG  56           HA       ARG  56  -7.241  -3.046  -0.862
  411   1HB   ARG  56           HB2      ARG  56  -8.591  -2.228  -3.304
  412   2HB   ARG  56           HB1      ARG  56  -6.881  -1.808  -3.362
  413   1HG   ARG  56           HG2      ARG  56  -6.653  -4.293  -2.361
  414   2HG   ARG  56           HG1      ARG  56  -8.166  -4.496  -3.246
  415   1HD   ARG  56           HD2      ARG  56  -6.758  -3.180  -5.125
  416   2HD   ARG  56           HD1      ARG  56  -5.423  -3.960  -4.277
  417    HE   ARG  56           HE       ARG  56  -6.988  -6.101  -4.656
  418   1HH1  ARG  56          HH11      ARG  56  -5.321  -4.012  -6.690
  419   2HH1  ARG  56          HH12      ARG  56  -5.973  -4.646  -8.164
  420   1HH2  ARG  56          HH21      ARG  56  -8.299  -6.668  -6.579
  421   2HH2  ARG  56          HH22      ARG  56  -7.664  -6.140  -8.102
  422    H    CYS  57           HN       CYS  57  -7.222  -0.084  -2.796
  423    HA   CYS  57           HA       CYS  57  -4.893   1.071  -2.052
  424   1HB   CYS  57           HB2      CYS  57  -7.585   2.360  -2.420
  425   2HB   CYS  57           HB1      CYS  57  -6.165   3.341  -2.053
  426    H    GLU  58           HN       GLU  58  -7.830   1.750  -0.050
  427    HA   GLU  58           HA       GLU  58  -7.047   3.234   1.997
  428   1HB   GLU  58           HB2      GLU  58  -8.124   0.487   2.649
  429   2HB   GLU  58           HB1      GLU  58  -8.415   1.998   3.510
  430   1HG   GLU  58           HG2      GLU  58  -9.410   1.239   0.750
  431   2HG   GLU  58           HG1      GLU  58 -10.379   1.538   2.192
  432    H    ALA  59           HN       ALA  59  -6.087  -0.224   1.961
  433    HA   ALA  59           HA       ALA  59  -4.560  -0.456   4.206
  434   1HB   ALA  59           HB1      ALA  59  -4.674  -1.811   1.758
  435   2HB   ALA  59           HB3      ALA  59  -2.970  -1.416   1.983
  436   3HB   ALA  59           HB2      ALA  59  -3.831  -2.339   3.215
  437    H    VAL  60           HN       VAL  60  -3.105   0.705   1.176
  438    HA   VAL  60           HA       VAL  60  -0.619   1.515   2.073
  439    HB   VAL  60           HB       VAL  60  -2.379   3.211   0.277
  440   1HG1  VAL  60          HG13      VAL  60   0.347   3.405   1.179
  441   2HG1  VAL  60          HG12      VAL  60   0.335   3.082  -0.555
  442   3HG1  VAL  60          HG11      VAL  60  -0.529   4.479   0.088
  443   1HG2  VAL  60          HG23      VAL  60  -0.696   0.755  -0.305
  444   2HG2  VAL  60          HG22      VAL  60  -2.433   0.935  -0.544
  445   3HG2  VAL  60          HG21      VAL  60  -1.308   1.837  -1.555
  446    H    ARG  61           HN       ARG  61  -3.594   3.482   2.204
  447    HA   ARG  61           HA       ARG  61  -2.530   5.706   3.581
  448   1HB   ARG  61           HB2      ARG  61  -5.112   4.757   2.874
  449   2HB   ARG  61           HB1      ARG  61  -5.155   5.096   4.605
  450   1HG   ARG  61           HG2      ARG  61  -5.002   7.332   4.281
  451   2HG   ARG  61           HG1      ARG  61  -3.736   7.150   3.066
  452   1HD   ARG  61           HD2      ARG  61  -5.866   8.126   2.155
  453   2HD   ARG  61           HD1      ARG  61  -5.371   6.635   1.352
  454    HE   ARG  61           HE       ARG  61  -7.207   5.499   2.403
  455   1HH1  ARG  61          HH11      ARG  61  -6.883   7.174   4.996
  456   2HH1  ARG  61          HH12      ARG  61  -8.415   7.982   5.031
  457   1HH2  ARG  61          HH21      ARG  61  -9.185   7.229   1.734
  458   2HH2  ARG  61          HH22      ARG  61  -9.718   8.012   3.184
  459    H    ILE  62           HN       ILE  62  -4.356   3.027   5.094
  460    HA   ILE  62           HA       ILE  62  -3.903   3.518   7.753
  461    HB   ILE  62           HB       ILE  62  -3.836   0.910   6.225
  462   1HG1  ILE  62          HG12      ILE  62  -6.017   1.847   6.268
  463   2HG1  ILE  62          HG11      ILE  62  -6.021   0.644   7.555
  464   1HG2  ILE  62          HG22      ILE  62  -3.340   1.413   9.136
  465   2HG2  ILE  62          HG21      ILE  62  -4.259  -0.017   8.667
  466   3HG2  ILE  62          HG23      ILE  62  -2.616   0.211   8.067
  467   1HD1  ILE  62          HD13      ILE  62  -5.157   2.821   8.934
  468   2HD1  ILE  62          HD12      ILE  62  -6.181   3.598   7.727
  469   3HD1  ILE  62          HD11      ILE  62  -6.856   2.369   8.797
  470    H    LEU  63           HN       LEU  63  -1.459   2.545   5.432
  471    HA   LEU  63           HA       LEU  63   0.465   1.887   7.518
  472   1HB   LEU  63           HB2      LEU  63   0.457   1.080   5.039
  473   2HB   LEU  63           HB1      LEU  63   1.225   2.632   4.701
  474    HG   LEU  63           HG       LEU  63   2.912   0.865   5.081
  475   1HD1  LEU  63          HD13      LEU  63   2.991   3.378   6.002
  476   2HD1  LEU  63          HD12      LEU  63   3.084   2.535   7.548
  477   3HD1  LEU  63          HD11      LEU  63   4.301   2.238   6.306
  478   1HD2  LEU  63          HD23      LEU  63   1.186  -0.161   6.891
  479   2HD2  LEU  63          HD22      LEU  63   2.914  -0.510   6.923
  480   3HD2  LEU  63          HD21      LEU  63   2.246   0.734   7.979
  481    H    MET  64           HN       MET  64  -0.037   4.664   5.338
  482    HA   MET  64           HA       MET  64   2.128   6.173   6.548
  483   1HB   MET  64           HB2      MET  64   1.300   6.590   4.231
  484   2HB   MET  64           HB1      MET  64  -0.223   7.181   4.900
  485   1HG   MET  64           HG2      MET  64   0.721   9.219   5.059
  486   2HG   MET  64           HG1      MET  64   1.796   8.564   6.295
  487   1HE   MET  64           HE3      MET  64   3.947   8.306   6.262
  488   2HE   MET  64           HE2      MET  64   5.101   8.764   5.012
  489   3HE   MET  64           HE1      MET  64   4.065   9.990   5.738
  490    H    ASP  65           HN       ASP  65  -1.456   6.511   6.766
  491    HA   ASP  65           HA       ASP  65  -1.149   8.388   8.987
  492   1HB   ASP  65           HB2      ASP  65  -3.582   7.292   7.541
  493   2HB   ASP  65           HB1      ASP  65  -3.744   8.102   9.099
  494    H    GLY  66           HN       GLY  66  -1.472   4.950   8.679
  495   1HA   GLY  66           HA2      GLY  66  -1.208   3.393  10.454
  496   2HA   GLY  66           HA1      GLY  66  -1.349   4.724  11.603
  497    H    VAL  67           HN       VAL  67  -2.762   2.138  11.604
  498    HA   VAL  67           HA       VAL  67  -5.575   3.117  11.351
  499    HB   VAL  67           HB       VAL  67  -5.134   1.221   9.861
  500   1HG1  VAL  67          HG11      VAL  67  -3.852   0.178  12.321
  501   2HG1  VAL  67          HG13      VAL  67  -4.761  -0.999  11.371
  502   3HG1  VAL  67          HG12      VAL  67  -3.434  -0.104  10.630
  503   1HG2  VAL  67          HG22      VAL  67  -7.282   1.483  11.338
  504   2HG2  VAL  67          HG21      VAL  67  -7.027  -0.019  10.450
  505   3HG2  VAL  67          HG23      VAL  67  -6.658   0.060  12.173
  506    H    VAL  68           HN       VAL  68  -7.060   2.297  13.012
  507    HA   VAL  68           HA       VAL  68  -5.640   1.821  15.594
  508    HB   VAL  68           HB       VAL  68  -8.123   3.392  14.915
  509   1HG1  VAL  68          HG11      VAL  68  -8.683   1.832  16.780
  510   2HG1  VAL  68          HG13      VAL  68  -7.299   2.450  17.682
  511   3HG1  VAL  68          HG12      VAL  68  -8.652   3.516  17.305
  512   1HG2  VAL  68          HG22      VAL  68  -5.792   4.410  15.024
  513   2HG2  VAL  68          HG21      VAL  68  -6.983   5.149  16.097
  514   3HG2  VAL  68          HG23      VAL  68  -5.792   4.020  16.743
  515    H    THR  69           HN       THR  69  -6.778   0.455  17.123
  516    HA   THR  69           HA       THR  69  -8.473  -1.587  15.766
  517    HB   THR  69           HB       THR  69  -7.515  -3.166  17.493
  518    HG1  THR  69           HG1      THR  69  -6.038  -2.453  18.837
  519   1HG2  THR  69          HG23      THR  69  -6.659  -2.938  15.137
  520   2HG2  THR  69          HG22      THR  69  -5.439  -1.821  15.749
  521   3HG2  THR  69          HG21      THR  69  -5.449  -3.500  16.291
  522    H    SER  70           HN       SER  70 -10.034  -2.656  17.153
  523    HA   SER  70           HA       SER  70 -11.632  -0.848  18.647
  524   1HB   SER  70           HB2      SER  70 -12.479  -2.900  17.521
  525   2HB   SER  70           HB1      SER  70 -11.654  -3.873  18.735
  526    HG   SER  70           HG       SER  70 -13.149  -3.374  20.144
  527    H    SER  71           HN       SER  71  -9.137  -3.073  19.610
  528    HA   SER  71           HA       SER  71  -9.706  -3.020  22.439
  529   1HB   SER  71           HB2      SER  71  -7.201  -3.720  22.543
  530   2HB   SER  71           HB1      SER  71  -8.344  -4.818  21.776
  531    HG   SER  71           HG       SER  71  -7.044  -4.639  20.132
  532    H    GLY  72           HN       GLY  72  -8.377  -0.726  20.303
  533   1HA   GLY  72           HA2      GLY  72  -7.992   1.576  21.036
  534   2HA   GLY  72           HA1      GLY  72  -7.549   0.940  22.624
  535    H    GLN  73           HN       GLN  73  -6.226  -1.004  20.181
  536    HA   GLN  73           HA       GLN  73  -3.544   0.122  20.745
  537   1HB   GLN  73           HB2      GLN  73  -4.172  -2.304  19.057
  538   2HB   GLN  73           HB1      GLN  73  -2.682  -1.938  19.928
  539   1HG   GLN  73           HG2      GLN  73  -3.833  -2.191  22.071
  540   2HG   GLN  73           HG1      GLN  73  -5.365  -2.464  21.241
  541   1HE2  GLN  73          HE22      GLN  73  -2.770  -5.423  20.227
  542   2HE2  GLN  73          HE21      GLN  73  -2.462  -3.806  19.812
  543    H    HIS  74           HN       HIS  74  -2.040   0.564  18.953
  544    HA   HIS  74           HA       HIS  74  -3.479   1.409  16.474
  545   1HB   HIS  74           HB2      HIS  74  -1.154   2.598  17.972
  546   2HB   HIS  74           HB1      HIS  74  -1.424   2.963  16.282
  547    HD1  HIS  74           HD1      HIS  74  -2.161   5.393  16.587
  548    HD2  HIS  74           HD2      HIS  74  -4.427   2.719  18.844
  549    HE1  HIS  74           HE1      HIS  74  -4.107   6.715  17.524
  550    H    GLU  75           HN       GLU  75  -2.242   1.148  14.485
  551    HA   GLU  75           HA       GLU  75   0.144  -0.603  14.658
  552   1HB   GLU  75           HB2      GLU  75  -2.265  -1.336  12.972
  553   2HB   GLU  75           HB1      GLU  75  -0.778  -2.268  13.156
  554   1HG   GLU  75           HG2      GLU  75  -2.594  -1.569  15.475
  555   2HG   GLU  75           HG1      GLU  75  -2.711  -3.080  14.572
  556    H    GLY  76           HN       GLY  76   0.837  -1.086  12.217
  557   1HA   GLY  76           HA2      GLY  76   1.704  -0.149  10.256
  558   2HA   GLY  76           HA1      GLY  76   0.184   0.740  10.151
  559    H    ARG  77           HN       ARG  77   1.138   2.692   9.499
  560    HA   ARG  77           HA       ARG  77   2.136   4.790   9.828
  561   1HB   ARG  77           HB2      ARG  77   0.695   4.602  11.919
  562   2HB   ARG  77           HB1      ARG  77   2.150   4.077  12.767
  563   1HG   ARG  77           HG2      ARG  77   2.948   6.184  12.882
  564   2HG   ARG  77           HG1      ARG  77   2.640   6.463  11.168
  565   1HD   ARG  77           HD2      ARG  77   1.223   8.013  12.245
  566   2HD   ARG  77           HD1      ARG  77   0.151   6.666  11.858
  567    HE   ARG  77           HE       ARG  77   0.262   5.988  14.216
  568   1HH1  ARG  77          HH21      ARG  77   2.943   7.562  14.552
  569   2HH1  ARG  77          HH22      ARG  77   2.419   8.802  15.643
  570   1HH2  ARG  77          HH11      ARG  77  -0.957   8.201  15.118
  571   2HH2  ARG  77          HH12      ARG  77   0.208   9.164  15.963
  572    H    LEU  78           HN       LEU  78   3.822   2.148   9.818
  573    HA   LEU  78           HA       LEU  78   6.180   2.895  11.368
  574   1HB   LEU  78           HB2      LEU  78   5.951   0.802   9.186
  575   2HB   LEU  78           HB1      LEU  78   7.189   0.903  10.439
  576    HG   LEU  78           HG       LEU  78   4.807   0.941  11.872
  577   1HD1  LEU  78          HD12      LEU  78   3.578   0.298   9.828
  578   2HD1  LEU  78          HD11      LEU  78   4.637  -1.098   9.632
  579   3HD1  LEU  78          HD13      LEU  78   3.552  -1.002  11.017
  580   1HD2  LEU  78          HD22      LEU  78   6.653  -1.361  11.166
  581   2HD2  LEU  78          HD21      LEU  78   6.829  -0.253  12.526
  582   3HD2  LEU  78          HD23      LEU  78   5.483  -1.392  12.485
  583    H    LEU  79           HN       LEU  79   4.956   3.599   8.197
  584    HA   LEU  79           HA       LEU  79   7.446   4.069   6.856
  585   1HB   LEU  79           HB2      LEU  79   4.816   4.146   6.115
  586   2HB   LEU  79           HB1      LEU  79   5.193   5.867   6.194
  587    HG   LEU  79           HG       LEU  79   7.367   4.478   4.923
  588   1HD1  LEU  79          HD11      LEU  79   5.242   2.956   4.482
  589   2HD1  LEU  79          HD13      LEU  79   4.851   4.216   3.313
  590   3HD1  LEU  79          HD12      LEU  79   6.366   3.323   3.172
  591   1HD2  LEU  79          HD21      LEU  79   5.379   6.635   4.267
  592   2HD2  LEU  79          HD23      LEU  79   7.132   6.749   4.425
  593   3HD2  LEU  79          HD22      LEU  79   6.422   6.006   2.992
  594    H    GLN  80           HN       GLN  80   8.793   5.180   8.390
  595    HA   GLN  80           HA       GLN  80   8.094   8.066   8.670
  596   1HB   GLN  80           HB2      GLN  80   9.421   6.514  10.892
  597   2HB   GLN  80           HB1      GLN  80   8.672   8.109  10.969
  598   1HG   GLN  80           HG2      GLN  80   6.471   7.178  10.703
  599   2HG   GLN  80           HG1      GLN  80   7.129   5.585  10.326
  600   1HE2  GLN  80          HE22      GLN  80   8.039   6.606  14.167
  601   2HE2  GLN  80          HE21      GLN  80   8.575   7.560  12.870
  602    H    ASP  81           HN       ASP  81  10.150   9.198   9.618
  603    HA   ASP  81           HA       ASP  81  12.117   9.419   7.748
  604   1HB   ASP  81           HB2      ASP  81  12.296   9.675  10.757
  605   2HB   ASP  81           HB1      ASP  81  13.674  10.034   9.715
  606    H    LEU  82           HN       LEU  82  13.697   8.214   6.972
  607    HA   LEU  82           HA       LEU  82  14.743   5.892   8.530
  608   1HB   LEU  82           HB2      LEU  82  13.843   6.077   5.652
  609   2HB   LEU  82           HB1      LEU  82  15.078   4.910   6.105
  610    HG   LEU  82           HG       LEU  82  12.359   5.124   7.434
  611   1HD1  LEU  82          HD13      LEU  82  13.410   3.264   5.285
  612   2HD1  LEU  82          HD12      LEU  82  11.963   2.926   6.234
  613   3HD1  LEU  82          HD11      LEU  82  12.016   4.340   5.180
  614   1HD2  LEU  82          HD23      LEU  82  14.671   4.025   8.423
  615   2HD2  LEU  82          HD22      LEU  82  13.050   3.474   8.851
  616   3HD2  LEU  82          HD21      LEU  82  13.958   2.644   7.589
  617    HA   PRO  83           HA       PRO  83  18.676   7.604   7.714
  618   1HB   PRO  83           HB2      PRO  83  20.195   5.498   6.769
  619   2HB   PRO  83           HB1      PRO  83  19.777   5.750   8.472
  620   1HG   PRO  83           HG2      PRO  83  18.589   3.826   6.506
  621   2HG   PRO  83           HG1      PRO  83  18.796   3.656   8.259
  622   1HD   PRO  83           HD2      PRO  83  16.384   4.280   7.038
  623   2HD   PRO  83           HD1      PRO  83  16.772   4.675   8.722
  624    H    GLY  84           HN       GLY  84  18.331   9.061   6.079
  625   1HA   GLY  84           HA2      GLY  84  19.009   9.948   3.978
  626   2HA   GLY  84           HA1      GLY  84  19.300   8.309   3.385
  627    H    CYS  85           HN       CYS  85  16.350   7.974   4.792
  628    HA   CYS  85           HA       CYS  85  14.932   8.856   2.312
  629   1HB   CYS  85           HB2      CYS  85  14.747   6.322   3.895
  630   2HB   CYS  85           HB1      CYS  85  13.324   6.904   3.033
  631    HA   PRO  86           HA       PRO  86  12.866  10.955   5.834
  632   1HB   PRO  86           HB2      PRO  86  12.306  13.257   4.434
  633   2HB   PRO  86           HB1      PRO  86  13.801  12.988   5.329
  634   1HG   PRO  86           HG2      PRO  86  13.338  12.939   2.391
  635   2HG   PRO  86           HG1      PRO  86  14.830  13.287   3.280
  636   1HD   PRO  86           HD2      PRO  86  14.213  10.865   1.982
  637   2HD   PRO  86           HD1      PRO  86  15.521  11.103   3.159
  638    H    ARG  87           HN       ARG  87  10.570  11.591   6.051
  639    HA   ARG  87           HA       ARG  87   8.674  10.043   4.763
  640   1HB   ARG  87           HB2      ARG  87   8.309  12.932   5.620
  641   2HB   ARG  87           HB1      ARG  87   7.029  11.749   5.403
  642   1HG   ARG  87           HG2      ARG  87   9.228  10.946   7.211
  643   2HG   ARG  87           HG1      ARG  87   8.200  12.257   7.789
  644   1HD   ARG  87           HD2      ARG  87   6.257  10.646   6.970
  645   2HD   ARG  87           HD1      ARG  87   7.488   9.405   7.205
  646    HE   ARG  87           HE       ARG  87   7.245   9.703   9.530
  647   1HH1  ARG  87          HH21      ARG  87   7.833  12.002  10.653
  648   2HH1  ARG  87          HH22      ARG  87   6.406  12.974  10.787
  649   1HH2  ARG  87          HH11      ARG  87   4.610  11.132   8.461
  650   2HH2  ARG  87          HH12      ARG  87   4.582  12.480   9.547
  651    H    GLN  88           HN       GLN  88  10.257  12.943   3.678
  652    HA   GLN  88           HA       GLN  88   8.528  13.792   1.611
  653   1HB   GLN  88           HB2      GLN  88  10.524  15.041   2.421
  654   2HB   GLN  88           HB1      GLN  88  11.555  13.887   1.575
  655   1HG   GLN  88           HG2      GLN  88  11.111  14.798  -0.459
  656   2HG   GLN  88           HG1      GLN  88   9.401  15.020  -0.086
  657   1HE2  GLN  88          HE22      GLN  88  12.003  18.098   0.466
  658   2HE2  GLN  88          HE21      GLN  88  12.549  16.576  -0.049
  659    H    VAL  89           HN       VAL  89  11.464  11.749   1.101
  660    HA   VAL  89           HA       VAL  89  10.880  11.188  -1.612
  661    HB   VAL  89           HB       VAL  89  12.428   9.589   0.433
  662   1HG1  VAL  89          HG13      VAL  89  12.058   9.342  -2.538
  663   2HG1  VAL  89          HG12      VAL  89  13.610   8.911  -1.819
  664   3HG1  VAL  89          HG11      VAL  89  12.142   8.068  -1.322
  665   1HG2  VAL  89          HG22      VAL  89  12.937  11.966  -1.244
  666   2HG2  VAL  89          HG21      VAL  89  13.605  11.526   0.329
  667   3HG2  VAL  89          HG23      VAL  89  14.239  10.780  -1.138
  668    H    GLN  90           HN       GLN  90  10.056   9.396   1.344
  669    HA   GLN  90           HA       GLN  90   8.872   7.159   0.021
  670   1HB   GLN  90           HB2      GLN  90   9.024   8.177   2.724
  671   2HB   GLN  90           HB1      GLN  90   7.384   7.621   2.380
  672   1HG   GLN  90           HG2      GLN  90   8.021   5.442   2.231
  673   2HG   GLN  90           HG1      GLN  90   9.506   5.840   1.369
  674   1HE2  GLN  90          HE22      GLN  90  11.338   6.444   4.468
  675   2HE2  GLN  90          HE21      GLN  90  11.152   7.123   2.923
  676    H    ARG  91           HN       ARG  91   7.757  10.406   0.627
  677    HA   ARG  91           HA       ARG  91   4.962   9.819   0.004
  678   1HB   ARG  91           HB2      ARG  91   6.232  11.914   1.242
  679   2HB   ARG  91           HB1      ARG  91   5.883  12.596  -0.347
  680   1HG   ARG  91           HG2      ARG  91   3.881  13.061   0.707
  681   2HG   ARG  91           HG1      ARG  91   3.514  11.452   0.085
  682   1HD   ARG  91           HD2      ARG  91   4.726  10.828   2.452
  683   2HD   ARG  91           HD1      ARG  91   3.927  12.343   2.872
  684    HE   ARG  91           HE       ARG  91   2.489   9.956   1.780
  685   1HH1  ARG  91          HH21      ARG  91   2.875  11.910   4.465
  686   2HH1  ARG  91          HH22      ARG  91   1.188  12.219   4.710
  687   1HH2  ARG  91          HH11      ARG  91   0.216  10.762   1.715
  688   2HH2  ARG  91          HH12      ARG  91  -0.319  11.569   3.152
  689    H    ALA  92           HN       ALA  92   7.818  10.846  -1.790
  690    HA   ALA  92           HA       ALA  92   6.393  11.645  -4.176
  691   1HB   ALA  92           HB1      ALA  92   9.022  11.784  -3.296
  692   2HB   ALA  92           HB3      ALA  92   9.097  10.610  -4.611
  693   3HB   ALA  92           HB2      ALA  92   8.455  12.226  -4.905
  694    H    PHE  93           HN       PHE  93   8.189   8.671  -3.304
  695    HA   PHE  93           HA       PHE  93   7.302   7.288  -5.717
  696   1HB   PHE  93           HB2      PHE  93   9.427   6.652  -4.763
  697   2HB   PHE  93           HB1      PHE  93   8.684   6.333  -3.195
  698    HD1  PHE  93           HD2      PHE  93   6.924   4.480  -3.038
  699    HD2  PHE  93           HD1      PHE  93   9.517   4.975  -6.426
  700    HE1  PHE  93           HE2      PHE  93   6.458   2.147  -3.736
  701    HE2  PHE  93           HE1      PHE  93   9.051   2.641  -7.124
  702    HZ   PHE  93           HZ       PHE  93   7.522   1.228  -5.778
  703    H    ALA  94           HN       ALA  94   6.126   7.653  -2.458
  704    HA   ALA  94           HA       ALA  94   4.597   5.453  -1.927
  705   1HB   ALA  94           HB1      ALA  94   4.271   8.340  -1.416
  706   2HB   ALA  94           HB3      ALA  94   2.794   7.387  -1.276
  707   3HB   ALA  94           HB2      ALA  94   4.202   6.980  -0.296
  708    HA   PRO  95           HA       PRO  95   0.992   6.897  -4.735
  709   1HB   PRO  95           HB2      PRO  95   1.573   8.836  -6.607
  710   2HB   PRO  95           HB1      PRO  95   0.897   9.165  -5.003
  711   1HG   PRO  95           HG2      PRO  95   3.699   9.538  -5.976
  712   2HG   PRO  95           HG1      PRO  95   2.814  10.436  -4.731
  713   1HD   PRO  95           HD2      PRO  95   4.727   8.468  -4.218
  714   2HD   PRO  95           HD1      PRO  95   3.508   9.016  -3.055
  715    H    LYS  96           HN       LYS  96   1.284   4.883  -5.631
  716    HA   LYS  96           HA       LYS  96   1.505   4.437  -8.324
  717   1HB   LYS  96           HB2      LYS  96   4.122   5.075  -7.229
  718   2HB   LYS  96           HB1      LYS  96   4.108   3.448  -7.909
  719   1HG   LYS  96           HG2      LYS  96   3.639   4.192 -10.051
  720   2HG   LYS  96           HG1      LYS  96   2.824   5.648  -9.480
  721   1HD   LYS  96           HD2      LYS  96   5.079   6.478  -8.679
  722   2HD   LYS  96           HD1      LYS  96   5.804   5.113  -9.530
  723   1HE   LYS  96           HE2      LYS  96   5.632   6.174 -11.509
  724   2HE   LYS  96           HE1      LYS  96   3.918   6.495 -11.243
  725   1HZ   LYS  96           HZ3      LYS  96   6.108   8.079 -10.020
  726   2HZ   LYS  96           HZ2      LYS  96   5.309   8.517 -11.454
  727   3HZ   LYS  96           HZ1      LYS  96   4.450   8.433  -9.991
  728    H    LEU  97           HN       LEU  97  -0.014   3.126  -6.762
  729    HA   LEU  97           HA       LEU  97   1.372   0.628  -5.897
  730   1HB   LEU  97           HB2      LEU  97  -1.337   1.690  -5.054
  731   2HB   LEU  97           HB1      LEU  97  -0.519   0.277  -4.388
  732    HG   LEU  97           HG       LEU  97   1.193   2.639  -4.375
  733   1HD1  LEU  97          HD12      LEU  97  -1.578   2.822  -3.299
  734   2HD1  LEU  97          HD11      LEU  97  -0.283   3.435  -2.273
  735   3HD1  LEU  97          HD13      LEU  97  -0.515   4.098  -3.890
  736   1HD2  LEU  97          HD22      LEU  97   1.614   0.555  -3.114
  737   2HD2  LEU  97          HD21      LEU  97   1.480   1.935  -2.024
  738   3HD2  LEU  97          HD23      LEU  97   0.131   0.812  -2.195
  739    H    VAL  98           HN       VAL  98  -2.114   0.851  -6.476
  740    HA   VAL  98           HA       VAL  98  -1.998  -1.564  -8.101
  741    HB   VAL  98           HB       VAL  98  -4.370  -1.483  -8.056
  742   1HG1  VAL  98          HG11      VAL  98  -2.817  -1.326  -5.790
  743   2HG1  VAL  98          HG13      VAL  98  -4.014  -0.064  -5.501
  744   3HG1  VAL  98          HG12      VAL  98  -4.536  -1.723  -5.801
  745   1HG2  VAL  98          HG22      VAL  98  -3.872   1.436  -7.885
  746   2HG2  VAL  98          HG21      VAL  98  -5.187   0.566  -8.675
  747   3HG2  VAL  98          HG23      VAL  98  -5.236   0.849  -6.935
  748    H    THR  99           HN       THR  99  -0.660   0.747  -9.346
  749    HA   THR  99           HA       THR  99  -2.461   1.209 -11.658
  750    HB   THR  99           HB       THR  99  -1.196   3.162 -12.171
  751    HG1  THR  99           HG1      THR  99   0.707   2.136 -10.337
  752   1HG2  THR  99          HG22      THR  99  -2.611   3.398 -10.159
  753   2HG2  THR  99          HG21      THR  99  -1.239   2.932  -9.153
  754   3HG2  THR  99          HG23      THR  99  -1.184   4.432 -10.079
  755    H    GLU 100           HN       GLU 100  -1.079   1.328 -13.838
  756    HA   GLU 100           HA       GLU 100   0.038  -1.253 -14.248
  757   1HB   GLU 100           HB2      GLU 100   0.686   1.183 -15.912
  758   2HB   GLU 100           HB1      GLU 100   0.601  -0.499 -16.437
  759   1HG   GLU 100           HG2      GLU 100  -1.879  -0.327 -15.536
  760   2HG   GLU 100           HG1      GLU 100  -1.628   1.400 -15.797
  761    H    VAL 101           HN       VAL 101   1.545   1.115 -12.367
  762    HA   VAL 101           HA       VAL 101   4.239   0.465 -13.411
  763    HB   VAL 101           HB       VAL 101   3.602   2.327 -11.124
  764   1HG1  VAL 101          HG13      VAL 101   5.868   2.057 -13.117
  765   2HG1  VAL 101          HG12      VAL 101   5.698   3.419 -12.010
  766   3HG1  VAL 101          HG11      VAL 101   5.944   1.794 -11.374
  767   1HG2  VAL 101          HG23      VAL 101   2.853   2.587 -13.911
  768   2HG2  VAL 101          HG22      VAL 101   2.520   3.680 -12.568
  769   3HG2  VAL 101          HG21      VAL 101   4.027   3.829 -13.472
  770    H    GLU 102           HN       GLU 102   2.136  -0.953 -11.238
  771    HA   GLU 102           HA       GLU 102   4.431  -2.216  -9.867
  772   1HB   GLU 102           HB2      GLU 102   3.933  -0.365  -8.382
  773   2HB   GLU 102           HB1      GLU 102   2.227  -0.795  -8.363
  774   1HG   GLU 102           HG2      GLU 102   3.600  -1.588  -6.358
  775   2HG   GLU 102           HG1      GLU 102   2.652  -2.827  -7.178
  776    H    CYS 103           HN       CYS 103   1.269  -2.451  -8.406
  777    HA   CYS 103           HA       CYS 103   1.023  -5.202  -9.592
  778   1HB   CYS 103           HB2      CYS 103   0.189  -4.177  -6.860
  779   2HB   CYS 103           HB1      CYS 103  -0.139  -5.797  -7.472
  780    H    ASN 104           HN       ASN 104  -0.148  -2.962 -10.943
  781    HA   ASN 104           HA       ASN 104  -2.598  -1.997 -10.467
  782   1HB   ASN 104           HB2      ASN 104  -3.164  -2.716 -12.929
  783   2HB   ASN 104           HB1      ASN 104  -1.868  -1.566 -12.607
  784   1HD2  ASN 104          HD22      ASN 104  -0.260  -5.289 -13.018
  785   2HD2  ASN 104          HD21      ASN 104  -1.354  -4.960 -11.766
  786    H    LEU 105           HN       LEU 105  -3.049  -4.824 -12.509
  787    HA   LEU 105           HA       LEU 105  -4.520  -6.635 -12.301
  788   1HB   LEU 105           HB2      LEU 105  -3.991  -6.024  -9.402
  789   2HB   LEU 105           HB1      LEU 105  -5.175  -7.243  -9.861
  790    HG   LEU 105           HG       LEU 105  -2.646  -7.482 -11.330
  791   1HD1  LEU 105          HD13      LEU 105  -2.663  -7.239  -8.378
  792   2HD1  LEU 105          HD12      LEU 105  -1.831  -8.661  -9.009
  793   3HD1  LEU 105          HD11      LEU 105  -1.329  -7.049  -9.516
  794   1HD2  LEU 105          HD23      LEU 105  -4.441  -9.287  -9.689
  795   2HD2  LEU 105          HD22      LEU 105  -4.266  -9.246 -11.443
  796   3HD2  LEU 105          HD21      LEU 105  -2.952  -9.859 -10.441
  797    H    ALA 106           HN       ALA 106  -5.433  -3.486 -11.584
  798    HA   ALA 106           HA       ALA 106  -7.557  -2.511 -11.872
  799   1HB   ALA 106           HB3      ALA 106  -8.044  -4.753 -13.119
  800   2HB   ALA 106           HB2      ALA 106  -8.860  -5.212 -11.625
  801   3HB   ALA 106           HB1      ALA 106  -9.404  -3.799 -12.527
  802    H    THR 107           HN       THR 107  -8.999  -1.691 -10.340
  803    HA   THR 107           HA       THR 107  -8.859  -2.978  -7.639
  804    HB   THR 107           HB       THR 107  -8.824  -0.839  -6.660
  805    HG1  THR 107           HG1      THR 107 -10.072   0.662  -7.417
  806   1HG2  THR 107          HG22      THR 107  -7.477  -0.603  -9.356
  807   2HG2  THR 107          HG21      THR 107  -7.262   0.563  -8.051
  808   3HG2  THR 107          HG23      THR 107  -6.741  -1.107  -7.834
  809    H    ILE 108           HN       ILE 108 -10.978  -1.456  -6.485
  810    HA   ILE 108           HA       ILE 108 -13.267  -2.957  -7.320
  811    HB   ILE 108           HB       ILE 108 -12.932  -1.827  -5.066
  812   1HG1  ILE 108          HG12      ILE 108 -15.509  -1.090  -6.489
  813   2HG1  ILE 108          HG11      ILE 108 -15.136  -2.720  -5.920
  814   1HG2  ILE 108          HG22      ILE 108 -13.685   0.592  -6.736
  815   2HG2  ILE 108          HG21      ILE 108 -13.717   0.560  -4.974
  816   3HG2  ILE 108          HG23      ILE 108 -12.190   0.358  -5.831
  817   1HD1  ILE 108          HD11      ILE 108 -14.926  -0.390  -4.031
  818   2HD1  ILE 108          HD13      ILE 108 -16.500  -1.110  -4.366
  819   3HD1  ILE 108          HD12      ILE 108 -15.213  -2.091  -3.667
  820    H    HIS 109           HN       HIS 109 -11.840  -0.023  -8.438
  821    HA   HIS 109           HA       HIS 109 -14.213   0.982  -9.812
  822   1HB   HIS 109           HB2      HIS 109 -11.278   1.706  -9.929
  823   2HB   HIS 109           HB1      HIS 109 -12.528   2.553 -10.841
  824    HD1  HIS 109           HD1      HIS 109 -14.229   3.993  -9.491
  825    HD2  HIS 109           HD2      HIS 109 -11.289   2.201  -7.148
  826    HE1  HIS 109           HE1      HIS 109 -14.356   5.095  -7.217
  827    H    GLY 110           HN       GLY 110 -12.759  -1.788 -10.443
  828   1HA   GLY 110           HA2      GLY 110 -12.196  -3.000 -12.385
  829   2HA   GLY 110           HA1      GLY 110 -13.580  -2.138 -13.063
  830    H    GLY 111           HN       GLY 111 -10.806  -0.350 -11.933
  831   1HA   GLY 111           HA2      GLY 111  -9.668  -0.145 -14.648
  832   2HA   GLY 111           HA1      GLY 111 -10.355   1.335 -13.978
  833    HA   PRO 112           HA       PRO 112  -5.955   0.640 -12.428
  834   1HB   PRO 112           HB2      PRO 112  -4.684   2.408 -14.117
  835   2HB   PRO 112           HB1      PRO 112  -4.866   0.679 -14.463
  836   1HG   PRO 112           HG2      PRO 112  -6.298   3.003 -15.660
  837   2HG   PRO 112           HG1      PRO 112  -5.991   1.401 -16.349
  838   1HD   PRO 112           HD2      PRO 112  -8.436   2.292 -15.227
  839   2HD   PRO 112           HD1      PRO 112  -8.019   0.614 -15.637
  840    H    PHE 113           HN       PHE 113  -7.381   1.928 -10.786
  841    HA   PHE 113           HA       PHE 113  -6.036   4.215  -9.897
  842   1HB   PHE 113           HB2      PHE 113  -7.619   6.046 -10.478
  843   2HB   PHE 113           HB1      PHE 113  -6.825   5.381 -11.900
  844    HD1  PHE 113           HD1      PHE 113  -9.959   5.067  -9.855
  845    HD2  PHE 113           HD2      PHE 113  -8.095   4.580 -13.696
  846    HE1  PHE 113           HE1      PHE 113 -12.172   4.586 -10.875
  847    HE2  PHE 113           HE2      PHE 113 -10.304   4.095 -14.711
  848    HZ   PHE 113           HZ       PHE 113 -12.345   4.103 -13.303
  849    H    CYS 114           HN       CYS 114  -7.211   5.289  -8.060
  850    HA   CYS 114           HA       CYS 114  -9.761   4.084  -7.261
  851   1HB   CYS 114           HB2      CYS 114  -8.991   3.018  -5.261
  852   2HB   CYS 114           HB1      CYS 114  -7.940   2.447  -6.555
  853    H    LEU 115           HN       LEU 115  -9.401   4.744  -4.467
  854    HA   LEU 115           HA       LEU 115  -9.328   6.605  -3.007
  855   1HB   LEU 115           HB2      LEU 115  -7.610   7.421  -5.051
  856   2HB   LEU 115           HB1      LEU 115  -8.813   8.706  -4.964
  857    HG   LEU 115           HG       LEU 115  -8.203   8.015  -2.291
  858   1HD1  LEU 115          HD11      LEU 115  -6.076   7.165  -3.785
  859   2HD1  LEU 115          HD13      LEU 115  -5.609   8.832  -3.446
  860   3HD1  LEU 115          HD12      LEU 115  -5.951   7.724  -2.117
  861   1HD2  LEU 115          HD21      LEU 115  -8.245  10.299  -4.044
  862   2HD2  LEU 115          HD23      LEU 115  -8.395  10.259  -2.287
  863   3HD2  LEU 115          HD22      LEU 115  -6.802  10.370  -3.034
  864    H    SER 116           HN       SER 116 -10.212   9.288  -3.878
  865    HA   SER 116           HA       SER 116 -12.937   9.173  -3.493
  866   1HB   SER 116           HB2      SER 116 -12.997  11.259  -5.077
  867   2HB   SER 116           HB1      SER 116 -12.082  11.345  -3.575
  868    HG   SER 116           HG       SER 116 -10.217  11.053  -4.699
  869    H    LEU 117           HN       LEU 117 -12.051  10.043  -6.797
  870    HA   LEU 117           HA       LEU 117 -13.017   9.406  -8.832
  871   1HB   LEU 117           HB2      LEU 117 -12.089   7.061  -7.481
  872   2HB   LEU 117           HB1      LEU 117 -13.612   6.656  -8.274
  873    HG   LEU 117           HG       LEU 117 -11.675   6.298  -9.778
  874   1HD1  LEU 117          HD11      LEU 117 -13.546   8.569 -10.500
  875   2HD1  LEU 117          HD13      LEU 117 -12.529   7.725 -11.666
  876   3HD1  LEU 117          HD12      LEU 117 -13.796   6.850 -10.806
  877   1HD2  LEU 117          HD23      LEU 117 -11.185   9.163  -9.033
  878   2HD2  LEU 117          HD22      LEU 117 -10.030   7.844  -9.212
  879   3HD2  LEU 117          HD21      LEU 117 -10.719   8.612 -10.642
  880    H    LEU 118           HN       LEU 118 -15.054   7.328  -9.261
  881    HA   LEU 118           HA       LEU 118 -17.403   8.807  -8.830
  882   1HB   LEU 118           HB2      LEU 118 -16.880   5.900  -9.363
  883   2HB   LEU 118           HB1      LEU 118 -18.513   6.448  -9.005
  884    HG   LEU 118           HG       LEU 118 -17.290   8.255 -10.883
  885   1HD1  LEU 118          HD13      LEU 118 -16.669   5.410 -11.245
  886   2HD1  LEU 118          HD12      LEU 118 -17.494   6.121 -12.631
  887   3HD1  LEU 118          HD11      LEU 118 -15.983   6.821 -12.052
  888   1HD2  LEU 118          HD23      LEU 118 -19.743   6.757 -10.459
  889   2HD2  LEU 118          HD22      LEU 118 -19.504   8.271 -11.330
  890   3HD2  LEU 118          HD21      LEU 118 -19.276   6.731 -12.160
  891    H    GLY 119           HN       GLY 119 -15.653   7.105  -6.401
  892   1HA   GLY 119           HA2      GLY 119 -18.035   6.669  -4.730
  893   2HA   GLY 119           HA1      GLY 119 -16.378   6.248  -4.298
  894    H    ALA 120           HN       ALA 120 -17.371   9.408  -5.512
  895    HA   ALA 120           HA       ALA 120 -17.611  10.673  -2.936
  896   1HB   ALA 120           HB1      ALA 120 -15.036  10.025  -3.385
  897   2HB   ALA 120           HB3      ALA 120 -15.089  11.573  -4.230
  898   3HB   ALA 120           HB2      ALA 120 -15.510  11.488  -2.520
  899    H    GLY 121           HN       GLY 121 -19.419  11.420  -4.376
  900   1HA   GLY 121           HA2      GLY 121 -18.838  13.082  -6.673
  901   2HA   GLY 121           HA1      GLY 121 -20.399  12.959  -5.861
  902    H    GLU 122           HN       GLU 122 -18.435  13.598  -3.378
  903    HA   GLU 122           HA       GLU 122 -18.784  16.551  -3.691
  904   1HB   GLU 122           HB2      GLU 122 -19.234  14.675  -1.460
  905   2HB   GLU 122           HB1      GLU 122 -18.377  16.149  -1.009
  906   1HG   GLU 122           HG2      GLU 122 -20.628  16.773  -0.779
  907   2HG   GLU 122           HG1      GLU 122 -20.225  17.363  -2.391
   
  No H/Q in entry =         907
  Start of MODEL           8
 Raw file had  930 H/Q atoms
  Start of MODEL    8
    1   1H    SER   1           HT3      SER   1 -25.572  -2.799  -0.484
    2   2H    SER   1           HT2      SER   1 -25.893  -3.732  -1.867
    3   3H    SER   1           HT1      SER   1 -26.765  -2.302  -1.581
    4    HA   SER   1           HA       SER   1 -28.059  -3.220   0.054
    5   1HB   SER   1           HB2      SER   1 -28.777  -5.442  -0.767
    6   2HB   SER   1           HB1      SER   1 -28.545  -4.314  -2.100
    7    HG   SER   1           HG       SER   1 -27.081  -5.616  -2.834
    8    H    VAL   2           HN       VAL   2 -25.188  -5.254  -0.483
    9    HA   VAL   2           HA       VAL   2 -25.307  -6.038   2.397
   10    HB   VAL   2           HB       VAL   2 -23.974  -8.107   1.579
   11   1HG1  VAL   2          HG11      VAL   2 -26.890  -7.542   1.114
   12   2HG1  VAL   2          HG13      VAL   2 -26.223  -9.122   0.708
   13   3HG1  VAL   2          HG12      VAL   2 -26.136  -8.529   2.365
   14   1HG2  VAL   2          HG23      VAL   2 -23.693  -6.996  -0.756
   15   2HG2  VAL   2          HG22      VAL   2 -24.111  -8.708  -0.707
   16   3HG2  VAL   2          HG21      VAL   2 -25.358  -7.507  -1.040
   17    H    GLY   3           HN       GLY   3 -22.434  -7.096   0.797
   18   1HA   GLY   3           HA2      GLY   3 -20.320  -5.989   0.527
   19   2HA   GLY   3           HA1      GLY   3 -20.957  -4.605   1.415
   20    H    THR   4           HN       THR   4 -21.099  -4.732   3.714
   21    HA   THR   4           HA       THR   4 -20.038  -5.115   5.776
   22    HB   THR   4           HB       THR   4 -21.936  -6.693   5.774
   23    HG1  THR   4           HG1      THR   4 -20.674  -6.704   7.596
   24   1HG2  THR   4          HG21      THR   4 -19.899  -8.507   4.486
   25   2HG2  THR   4          HG23      THR   4 -21.294  -9.152   5.351
   26   3HG2  THR   4          HG22      THR   4 -21.531  -8.126   3.935
   27    H    SER   5           HN       SER   5 -18.041  -4.891   3.899
   28    HA   SER   5           HA       SER   5 -16.097  -7.019   4.710
   29   1HB   SER   5           HB2      SER   5 -15.011  -6.823   2.575
   30   2HB   SER   5           HB1      SER   5 -16.733  -6.978   2.248
   31    HG   SER   5           HG       SER   5 -16.829  -4.890   1.696
   32    H    CYS   6           HN       CYS   6 -13.807  -5.638   3.692
   33    HA   CYS   6           HA       CYS   6 -12.208  -4.059   4.362
   34   1HB   CYS   6           HB2      CYS   6 -14.656  -2.357   4.915
   35   2HB   CYS   6           HB1      CYS   6 -13.008  -1.767   4.743
   36    H    ILE   7           HN       ILE   7 -12.314  -2.173   6.491
   37    HA   ILE   7           HA       ILE   7 -12.146  -2.000   8.822
   38    HB   ILE   7           HB       ILE   7 -13.715  -4.597   8.999
   39   1HG1  ILE   7          HG12      ILE   7 -14.793  -1.761   8.936
   40   2HG1  ILE   7          HG11      ILE   7 -14.872  -2.879   7.575
   41   1HG2  ILE   7          HG21      ILE   7 -13.384  -2.255  10.890
   42   2HG2  ILE   7          HG23      ILE   7 -14.410  -3.660  11.177
   43   3HG2  ILE   7          HG22      ILE   7 -12.660  -3.851  11.083
   44   1HD1  ILE   7          HD11      ILE   7 -15.878  -3.963  10.137
   45   2HD1  ILE   7          HD13      ILE   7 -16.830  -2.643   9.458
   46   3HD1  ILE   7          HD12      ILE   7 -16.549  -4.105   8.513
   47    HA   PRO   8           HA       PRO   8  -8.543  -4.556   9.151
   48   1HB   PRO   8           HB2      PRO   8  -7.787  -3.965  11.735
   49   2HB   PRO   8           HB1      PRO   8  -7.485  -2.911  10.344
   50   1HG   PRO   8           HG2      PRO   8  -9.529  -2.638  12.504
   51   2HG   PRO   8           HG1      PRO   8  -8.738  -1.379  11.541
   52   1HD   PRO   8           HD2      PRO   8 -11.337  -2.319  11.130
   53   2HD   PRO   8           HD1      PRO   8 -10.380  -1.421   9.938
   54    H    GLY   9           HN       GLY   9  -7.647  -6.376  10.490
   55   1HA   GLY   9           HA2      GLY   9  -7.880  -8.434  11.563
   56   2HA   GLY   9           HA1      GLY   9  -9.106  -7.672  12.572
   57    H    MET  10           HN       MET  10  -9.702  -7.484   9.173
   58    HA   MET  10           HA       MET  10 -11.416  -9.917   9.170
   59   1HB   MET  10           HB2      MET  10 -12.313  -7.065   8.771
   60   2HB   MET  10           HB1      MET  10 -13.186  -8.399   8.017
   61   1HG   MET  10           HG2      MET  10 -12.522  -8.751  10.889
   62   2HG   MET  10           HG1      MET  10 -13.725  -7.513  10.522
   63   1HE   MET  10           HE1      MET  10 -15.271  -7.718   8.810
   64   2HE   MET  10           HE3      MET  10 -16.035  -9.172   8.154
   65   3HE   MET  10           HE2      MET  10 -16.568  -8.514   9.699
   66    H    ALA  11           HN       ALA  11  -9.697 -10.713   7.604
   67    HA   ALA  11           HA       ALA  11  -9.199 -11.271   5.369
   68   1HB   ALA  11           HB2      ALA  11 -11.431  -9.911   4.817
   69   2HB   ALA  11           HB1      ALA  11 -10.270  -8.713   4.244
   70   3HB   ALA  11           HB3      ALA  11 -10.277 -10.335   3.552
   71    H    ILE  12           HN       ILE  12  -9.022  -7.741   5.902
   72    HA   ILE  12           HA       ILE  12  -6.261  -7.671   4.889
   73    HB   ILE  12           HB       ILE  12  -8.026  -5.415   5.886
   74   1HG1  ILE  12          HG12      ILE  12  -7.304  -6.059   3.027
   75   2HG1  ILE  12          HG11      ILE  12  -8.746  -6.729   3.787
   76   1HG2  ILE  12          HG23      ILE  12  -5.339  -5.337   5.711
   77   2HG2  ILE  12          HG22      ILE  12  -5.734  -4.998   4.026
   78   3HG2  ILE  12          HG21      ILE  12  -6.348  -3.949   5.304
   79   1HD1  ILE  12          HD13      ILE  12  -8.563  -3.874   4.293
   80   2HD1  ILE  12          HD12      ILE  12  -8.504  -4.208   2.561
   81   3HD1  ILE  12          HD11      ILE  12  -9.861  -4.789   3.526
   82    HA   PRO  13           HA       PRO  13  -5.463  -8.174   9.337
   83   1HB   PRO  13           HB2      PRO  13  -2.831  -8.937   9.142
   84   2HB   PRO  13           HB1      PRO  13  -4.210 -10.037   8.999
   85   1HG   PRO  13           HG2      PRO  13  -2.401  -9.031   6.879
   86   2HG   PRO  13           HG1      PRO  13  -3.437 -10.467   6.878
   87   1HD   PRO  13           HD2      PRO  13  -3.938  -7.978   5.593
   88   2HD   PRO  13           HD1      PRO  13  -5.071  -9.348   5.717
   89    H    HIS  14           HN       HIS  14  -3.809  -7.279  10.873
   90    HA   HIS  14           HA       HIS  14  -3.486  -4.474  10.468
   91   1HB   HIS  14           HB2      HIS  14  -2.270  -6.314  12.566
   92   2HB   HIS  14           HB1      HIS  14  -2.432  -4.579  12.681
   93    HD1  HIS  14           HD1      HIS  14  -4.561  -3.711  13.739
   94    HD2  HIS  14           HD2      HIS  14  -4.945  -7.647  12.428
   95    HE1  HIS  14           HE1      HIS  14  -6.843  -4.528  14.544
   96    H    ASN  15           HN       ASN  15  -1.493  -3.306  10.017
   97    HA   ASN  15           HA       ASN  15   0.664  -2.944   9.206
   98   1HB   ASN  15           HB2      ASN  15   1.037  -4.667  11.234
   99   2HB   ASN  15           HB1      ASN  15   1.561  -5.705   9.909
  100   1HD2  ASN  15          HD22      ASN  15   4.330  -3.373  11.264
  101   2HD2  ASN  15          HD21      ASN  15   3.133  -4.226  12.114
  102    HA   PRO  16           HA       PRO  16  -0.398  -5.756   5.560
  103   1HB   PRO  16           HB2      PRO  16  -1.781  -3.955   4.030
  104   2HB   PRO  16           HB1      PRO  16  -2.558  -5.028   5.209
  105   1HG   PRO  16           HG2      PRO  16  -2.006  -2.100   5.411
  106   2HG   PRO  16           HG1      PRO  16  -3.293  -3.054   6.166
  107   1HD   PRO  16           HD2      PRO  16  -0.943  -2.159   7.453
  108   2HD   PRO  16           HD1      PRO  16  -2.064  -3.402   8.043
  109    H    LEU  17           HN       LEU  17   0.288  -5.426   3.293
  110    HA   LEU  17           HA       LEU  17   2.027  -4.909   1.807
  111   1HB   LEU  17           HB2      LEU  17   0.660  -2.313   2.478
  112   2HB   LEU  17           HB1      LEU  17   1.953  -2.371   1.280
  113    HG   LEU  17           HG       LEU  17   0.561  -4.421   0.345
  114   1HD1  LEU  17          HD11      LEU  17  -1.379  -2.874   2.054
  115   2HD1  LEU  17          HD13      LEU  17  -1.930  -3.719   0.607
  116   3HD1  LEU  17          HD12      LEU  17  -1.174  -4.621   1.920
  117   1HD2  LEU  17          HD21      LEU  17   0.308  -1.483  -0.054
  118   2HD2  LEU  17          HD23      LEU  17   0.761  -2.740  -1.205
  119   3HD2  LEU  17          HD22      LEU  17  -0.936  -2.486  -0.799
  120    H    ASP  18           HN       ASP  18   3.180  -5.322   4.332
  121    HA   ASP  18           HA       ASP  18   4.933  -3.148   5.119
  122   1HB   ASP  18           HB2      ASP  18   6.197  -4.958   6.340
  123   2HB   ASP  18           HB1      ASP  18   4.468  -4.928   6.709
  124    H    SER  19           HN       SER  19   5.166  -5.883   2.952
  125    HA   SER  19           HA       SER  19   7.936  -5.672   2.253
  126   1HB   SER  19           HB2      SER  19   6.059  -7.493   1.679
  127   2HB   SER  19           HB1      SER  19   5.935  -6.536   0.204
  128    HG   SER  19           HG       SER  19   7.618  -7.660  -0.376
  129    H    CYS  20           HN       CYS  20   5.081  -3.899   1.324
  130    HA   CYS  20           HA       CYS  20   6.180  -2.704  -1.066
  131   1HB   CYS  20           HB2      CYS  20   3.890  -1.752   0.660
  132   2HB   CYS  20           HB1      CYS  20   4.206  -1.295  -1.014
  133    H    ARG  21           HN       ARG  21   5.931  -1.769   2.345
  134    HA   ARG  21           HA       ARG  21   6.921   0.890   2.016
  135   1HB   ARG  21           HB2      ARG  21   5.973   0.758   4.087
  136   2HB   ARG  21           HB1      ARG  21   6.394  -0.926   4.315
  137   1HG   ARG  21           HG2      ARG  21   8.762  -0.207   4.780
  138   2HG   ARG  21           HG1      ARG  21   8.235   1.471   4.658
  139   1HD   ARG  21           HD2      ARG  21   7.217   1.426   6.696
  140   2HD   ARG  21           HD1      ARG  21   6.624  -0.222   6.474
  141    HE   ARG  21           HE       ARG  21   9.473  -0.267   6.797
  142   1HH1  ARG  21          HH21      ARG  21   7.907  -2.217   8.247
  143   2HH1  ARG  21          HH22      ARG  21   7.927  -1.640   9.881
  144   1HH2  ARG  21          HH11      ARG  21   8.924   1.567   9.013
  145   2HH2  ARG  21          HH12      ARG  21   8.501   0.505  10.314
  146    H    TRP  22           HN       TRP  22   8.625  -2.179   2.869
  147    HA   TRP  22           HA       TRP  22  11.215  -0.924   2.924
  148   1HB   TRP  22           HB2      TRP  22  10.400  -3.808   2.796
  149   2HB   TRP  22           HB1      TRP  22  12.070  -3.333   2.568
  150    HD1  TRP  22           HD1      TRP  22   9.906  -4.317   5.229
  151    HE1  TRP  22           HE1      TRP  22  10.777  -3.474   7.517
  152    HE3  TRP  22           HE3      TRP  22  13.205  -0.966   3.573
  153    HZ2  TRP  22           HZ2      TRP  22  12.708  -1.546   8.486
  154    HZ3  TRP  22           HZ3      TRP  22  14.594   0.406   5.144
  155    HH2  TRP  22           HH2      TRP  22  14.342   0.111   7.600
  156    H    TYR  23           HN       TYR  23   9.237  -2.300   0.401
  157    HA   TYR  23           HA       TYR  23  11.284  -2.577  -1.588
  158   1HB   TYR  23           HB2      TYR  23   9.059  -3.663  -1.764
  159   2HB   TYR  23           HB1      TYR  23   8.325  -2.080  -2.037
  160    HD1  TYR  23           HD1      TYR  23  11.192  -4.155  -3.293
  161    HD2  TYR  23           HD2      TYR  23   8.041  -1.399  -4.252
  162    HE1  TYR  23           HE1      TYR  23  11.786  -4.315  -5.695
  163    HE2  TYR  23           HE2      TYR  23   8.635  -1.559  -6.654
  164    HH   TYR  23           HH       TYR  23  11.398  -2.557  -7.802
  165    H    VAL  24           HN       VAL  24   9.280   0.169  -0.525
  166    HA   VAL  24           HA       VAL  24  10.135   1.889  -2.726
  167    HB   VAL  24           HB       VAL  24   9.104   2.701   0.009
  168   1HG1  VAL  24          HG12      VAL  24   9.675   4.235  -2.532
  169   2HG1  VAL  24          HG11      VAL  24   8.576   4.853  -1.298
  170   3HG1  VAL  24          HG13      VAL  24  10.271   4.561  -0.905
  171   1HG2  VAL  24          HG22      VAL  24   7.752   2.203  -2.650
  172   2HG2  VAL  24          HG21      VAL  24   7.345   1.509  -1.081
  173   3HG2  VAL  24          HG23      VAL  24   7.012   3.211  -1.406
  174    H    SER  25           HN       SER  25  11.217   1.200   0.594
  175    HA   SER  25           HA       SER  25  13.208   3.199   0.823
  176   1HB   SER  25           HB2      SER  25  13.720   0.420   1.835
  177   2HB   SER  25           HB1      SER  25  14.118   1.962   2.583
  178    HG   SER  25           HG       SER  25  12.323   1.068   3.609
  179    H    THR  26           HN       THR  26  13.288   0.053  -0.801
  180    HA   THR  26           HA       THR  26  16.121   0.168  -1.462
  181    HB   THR  26           HB       THR  26  13.929  -1.612  -2.571
  182    HG1  THR  26           HG1      THR  26  14.522  -2.991  -0.973
  183   1HG2  THR  26          HG23      THR  26  16.949  -1.772  -2.687
  184   2HG2  THR  26          HG22      THR  26  15.893  -3.139  -3.038
  185   3HG2  THR  26          HG21      THR  26  15.829  -1.693  -4.046
  186    H    ARG  27           HN       ARG  27  13.167   0.547  -3.472
  187    HA   ARG  27           HA       ARG  27  14.541   1.092  -5.918
  188   1HB   ARG  27           HB2      ARG  27  11.757   1.522  -4.908
  189   2HB   ARG  27           HB1      ARG  27  12.246   2.348  -6.386
  190   1HG   ARG  27           HG2      ARG  27  12.491  -0.635  -5.911
  191   2HG   ARG  27           HG1      ARG  27  11.200   0.134  -6.831
  192   1HD   ARG  27           HD2      ARG  27  13.795   1.056  -7.757
  193   2HD   ARG  27           HD1      ARG  27  13.697  -0.704  -7.821
  194    HE   ARG  27           HE       ARG  27  11.687  -0.450  -9.251
  195   1HH1  ARG  27          HH21      ARG  27  11.319   2.501  -8.383
  196   2HH1  ARG  27          HH22      ARG  27  11.758   3.311  -9.850
  197   1HH2  ARG  27          HH11      ARG  27  13.251   0.515 -11.259
  198   2HH2  ARG  27          HH12      ARG  27  12.852   2.186 -11.479
  199    H    THR  28           HN       THR  28  13.766   3.098  -3.190
  200    HA   THR  28           HA       THR  28  14.272   5.588  -4.664
  201    HB   THR  28           HB       THR  28  13.500   6.695  -2.610
  202    HG1  THR  28           HG1      THR  28  12.818   5.314  -0.885
  203   1HG2  THR  28          HG21      THR  28  11.855   4.316  -3.473
  204   2HG2  THR  28          HG23      THR  28  11.236   5.646  -2.495
  205   3HG2  THR  28          HG22      THR  28  11.794   5.945  -4.142
  206    H    CYS  29           HN       CYS  29  15.560   4.304  -1.525
  207    HA   CYS  29           HA       CYS  29  18.016   5.894  -2.017
  208   1HB   CYS  29           HB2      CYS  29  17.440   4.407   0.527
  209   2HB   CYS  29           HB1      CYS  29  18.413   5.856   0.294
  210    H    GLY  30           HN       GLY  30  17.154   2.934  -2.889
  211   1HA   GLY  30           HA2      GLY  30  18.314   0.916  -3.324
  212   2HA   GLY  30           HA1      GLY  30  19.786   1.880  -3.197
  213    H    VAL  31           HN       VAL  31  17.480   1.644  -0.561
  214    HA   VAL  31           HA       VAL  31  19.444   0.000   0.997
  215    HB   VAL  31           HB       VAL  31  17.598   2.164   2.051
  216   1HG1  VAL  31          HG13      VAL  31  19.748   0.435   3.289
  217   2HG1  VAL  31          HG12      VAL  31  19.198   1.936   4.037
  218   3HG1  VAL  31          HG11      VAL  31  18.066   0.605   3.794
  219   1HG2  VAL  31          HG23      VAL  31  20.364   2.207   0.957
  220   2HG2  VAL  31          HG22      VAL  31  19.156   3.490   1.012
  221   3HG2  VAL  31          HG21      VAL  31  20.104   3.111   2.449
  222    H    GLY  32           HN       GLY  32  18.384  -1.240   2.821
  223   1HA   GLY  32           HA2      GLY  32  15.973  -1.859   3.617
  224   2HA   GLY  32           HA1      GLY  32  15.773  -2.289   1.917
  225    HA   PRO  33           HA       PRO  33  17.721  -5.900   4.384
  226   1HB   PRO  33           HB2      PRO  33  15.735  -7.785   3.886
  227   2HB   PRO  33           HB1      PRO  33  15.828  -6.786   5.347
  228   1HG   PRO  33           HG2      PRO  33  14.082  -6.457   2.935
  229   2HG   PRO  33           HG1      PRO  33  13.729  -6.114   4.638
  230   1HD   PRO  33           HD2      PRO  33  14.325  -4.170   2.810
  231   2HD   PRO  33           HD1      PRO  33  14.648  -4.010   4.551
  232    H    ARG  34           HN       ARG  34  18.171  -8.219   3.239
  233    HA   ARG  34           HA       ARG  34  18.940  -7.560   0.477
  234   1HB   ARG  34           HB2      ARG  34  20.248  -8.863   2.514
  235   2HB   ARG  34           HB1      ARG  34  19.670 -10.214   1.540
  236   1HG   ARG  34           HG2      ARG  34  21.395  -9.854   0.132
  237   2HG   ARG  34           HG1      ARG  34  20.634  -8.330  -0.324
  238   1HD   ARG  34           HD2      ARG  34  22.929  -7.917   0.421
  239   2HD   ARG  34           HD1      ARG  34  21.794  -7.213   1.574
  240    HE   ARG  34           HE       ARG  34  22.191  -9.311   2.963
  241   1HH1  ARG  34          HH11      ARG  34  23.872 -10.769   0.976
  242   2HH1  ARG  34          HH12      ARG  34  25.477 -10.420   1.523
  243   1HH2  ARG  34          HH21      ARG  34  24.503  -7.752   3.513
  244   2HH2  ARG  34          HH22      ARG  34  25.836  -8.712   2.959
  245    H    LEU  35           HN       LEU  35  16.935  -7.694  -0.514
  246    HA   LEU  35           HA       LEU  35  16.080 -10.447  -1.222
  247   1HB   LEU  35           HB2      LEU  35  14.444  -8.389   0.158
  248   2HB   LEU  35           HB1      LEU  35  13.672  -9.163  -1.227
  249    HG   LEU  35           HG       LEU  35  15.037 -10.738   0.963
  250   1HD1  LEU  35          HD11      LEU  35  12.312  -9.527   0.826
  251   2HD1  LEU  35          HD13      LEU  35  12.441 -11.167   1.463
  252   3HD1  LEU  35          HD12      LEU  35  13.327  -9.851   2.231
  253   1HD2  LEU  35          HD23      LEU  35  14.422 -11.589  -1.466
  254   2HD2  LEU  35          HD22      LEU  35  14.107 -12.609  -0.063
  255   3HD2  LEU  35          HD21      LEU  35  12.796 -11.682  -0.792
  256    H    ALA  36           HN       ALA  36  15.982 -10.583  -3.425
  257    HA   ALA  36           HA       ALA  36  16.737  -8.538  -5.175
  258   1HB   ALA  36           HB3      ALA  36  15.368 -11.148  -5.473
  259   2HB   ALA  36           HB2      ALA  36  15.163 -10.027  -6.818
  260   3HB   ALA  36           HB1      ALA  36  16.782 -10.515  -6.315
  261    H    THR  37           HN       THR  37  15.491  -7.140  -6.637
  262    HA   THR  37           HA       THR  37  13.286  -5.800  -5.449
  263    HB   THR  37           HB       THR  37  12.973  -4.988  -7.943
  264    HG1  THR  37           HG1      THR  37  14.385  -5.723  -9.294
  265   1HG2  THR  37          HG21      THR  37  15.317  -4.468  -6.117
  266   2HG2  THR  37          HG23      THR  37  15.094  -3.563  -7.614
  267   3HG2  THR  37          HG22      THR  37  13.869  -3.488  -6.347
  268    H    GLN  38           HN       GLN  38  13.197  -7.867  -8.385
  269    HA   GLN  38           HA       GLN  38  10.412  -7.916  -8.703
  270   1HB   GLN  38           HB2      GLN  38  12.568  -9.902  -9.384
  271   2HB   GLN  38           HB1      GLN  38  10.876 -10.276  -9.714
  272   1HG   GLN  38           HG2      GLN  38  10.648  -8.279 -11.083
  273   2HG   GLN  38           HG1      GLN  38  12.280  -7.761 -10.661
  274   1HE2  GLN  38          HE22      GLN  38  13.799  -9.738 -13.148
  275   2HE2  GLN  38          HE21      GLN  38  13.975  -8.529 -11.969
  276    H    GLU  39           HN       GLU  39  12.319  -9.715  -6.367
  277    HA   GLU  39           HA       GLU  39  10.249 -11.623  -5.673
  278   1HB   GLU  39           HB2      GLU  39  12.808 -10.715  -4.368
  279   2HB   GLU  39           HB1      GLU  39  11.689 -11.774  -3.507
  280   1HG   GLU  39           HG2      GLU  39  11.859 -13.471  -5.189
  281   2HG   GLU  39           HG1      GLU  39  12.701 -12.386  -6.292
  282    H    MET  40           HN       MET  40  11.386  -8.581  -4.223
  283    HA   MET  40           HA       MET  40   9.562  -8.478  -2.027
  284   1HB   MET  40           HB2      MET  40  11.645  -6.992  -2.672
  285   2HB   MET  40           HB1      MET  40  10.441  -6.006  -3.485
  286   1HG   MET  40           HG2      MET  40  10.432  -5.039  -1.369
  287   2HG   MET  40           HG1      MET  40   9.141  -6.229  -1.201
  288   1HE   MET  40           HE2      MET  40   9.525  -5.448   1.003
  289   2HE   MET  40           HE1      MET  40   9.634  -6.990   1.847
  290   3HE   MET  40           HE3      MET  40  10.890  -5.764   2.066
  291    H    LYS  41           HN       LYS  41   9.459  -6.862  -5.186
  292    HA   LYS  41           HA       LYS  41   6.900  -5.703  -5.060
  293   1HB   LYS  41           HB2      LYS  41   8.576  -5.326  -6.888
  294   2HB   LYS  41           HB1      LYS  41   8.167  -6.916  -7.533
  295   1HG   LYS  41           HG2      LYS  41   5.786  -6.181  -7.722
  296   2HG   LYS  41           HG1      LYS  41   6.276  -4.570  -7.196
  297   1HD   LYS  41           HD2      LYS  41   7.437  -5.982  -9.614
  298   2HD   LYS  41           HD1      LYS  41   6.117  -4.813  -9.696
  299   1HE   LYS  41           HE2      LYS  41   7.728  -3.254  -8.369
  300   2HE   LYS  41           HE1      LYS  41   8.989  -4.360  -8.911
  301   1HZ   LYS  41           HZ3      LYS  41   7.045  -3.152 -10.785
  302   2HZ   LYS  41           HZ2      LYS  41   8.504  -2.382 -10.379
  303   3HZ   LYS  41           HZ1      LYS  41   8.526  -3.899 -11.144
  304    H    ALA  42           HN       ALA  42   7.873  -8.999  -5.859
  305    HA   ALA  42           HA       ALA  42   5.359  -9.987  -6.797
  306   1HB   ALA  42           HB2      ALA  42   7.629 -11.150  -6.923
  307   2HB   ALA  42           HB1      ALA  42   7.398 -11.580  -5.229
  308   3HB   ALA  42           HB3      ALA  42   6.273 -12.174  -6.449
  309    H    ARG  43           HN       ARG  43   6.815  -9.814  -3.568
  310    HA   ARG  43           HA       ARG  43   4.763 -11.143  -2.112
  311   1HB   ARG  43           HB2      ARG  43   7.188 -10.063  -1.460
  312   2HB   ARG  43           HB1      ARG  43   6.092  -8.882  -0.741
  313   1HG   ARG  43           HG2      ARG  43   5.623 -11.824  -0.316
  314   2HG   ARG  43           HG1      ARG  43   6.805 -10.964   0.671
  315   1HD   ARG  43           HD2      ARG  43   5.146  -9.452   1.504
  316   2HD   ARG  43           HD1      ARG  43   3.962  -9.989   0.313
  317    HE   ARG  43           HE       ARG  43   3.888 -12.167   1.538
  318   1HH1  ARG  43          HH11      ARG  43   6.464 -11.039   3.062
  319   2HH1  ARG  43          HH12      ARG  43   5.790 -10.925   4.653
  320   1HH2  ARG  43          HH21      ARG  43   2.518 -11.334   3.582
  321   2HH2  ARG  43          HH22      ARG  43   3.556 -11.092   4.947
  322    H    CYS  44           HN       CYS  44   5.178  -7.716  -3.008
  323    HA   CYS  44           HA       CYS  44   2.925  -6.702  -1.549
  324   1HB   CYS  44           HB2      CYS  44   4.426  -5.699  -3.943
  325   2HB   CYS  44           HB1      CYS  44   2.960  -4.899  -3.371
  326    H    CYS  45           HN       CYS  45   3.263  -8.164  -4.768
  327    HA   CYS  45           HA       CYS  45   0.598  -7.448  -5.665
  328   1HB   CYS  45           HB2      CYS  45   2.692  -9.373  -6.656
  329   2HB   CYS  45           HB1      CYS  45   1.070  -9.390  -7.335
  330    H    ARG  46           HN       ARG  46   2.004 -10.120  -3.873
  331    HA   ARG  46           HA       ARG  46  -0.301 -11.882  -4.096
  332   1HB   ARG  46           HB2      ARG  46   2.179 -12.405  -3.432
  333   2HB   ARG  46           HB1      ARG  46   1.663 -11.977  -1.816
  334   1HG   ARG  46           HG2      ARG  46  -0.248 -13.761  -3.127
  335   2HG   ARG  46           HG1      ARG  46   1.355 -14.478  -2.994
  336   1HD   ARG  46           HD2      ARG  46   1.129 -14.772  -0.771
  337   2HD   ARG  46           HD1      ARG  46   0.611 -13.104  -0.537
  338    HE   ARG  46           HE       ARG  46  -1.702 -13.866  -1.097
  339   1HH1  ARG  46          HH11      ARG  46  -0.874 -16.521  -2.293
  340   2HH1  ARG  46          HH12      ARG  46  -1.285 -17.618  -1.018
  341   1HH2  ARG  46          HH21      ARG  46  -1.548 -15.142   1.392
  342   2HH2  ARG  46          HH22      ARG  46  -1.667 -16.838   1.065
  343    H    GLN  47           HN       GLN  47   0.780  -9.327  -1.921
  344    HA   GLN  47           HA       GLN  47  -1.276  -9.823   0.104
  345   1HB   GLN  47           HB2      GLN  47   0.388  -7.330  -0.371
  346   2HB   GLN  47           HB1      GLN  47  -0.490  -7.738   1.103
  347   1HG   GLN  47           HG2      GLN  47   1.173  -9.972   0.485
  348   2HG   GLN  47           HG1      GLN  47   2.169  -8.527   0.322
  349   1HE2  GLN  47          HE22      GLN  47   2.568  -8.374   3.809
  350   2HE2  GLN  47          HE21      GLN  47   3.262  -8.224   2.267
  351    H    LEU  48           HN       LEU  48  -0.932  -7.783  -2.740
  352    HA   LEU  48           HA       LEU  48  -3.288  -6.166  -2.280
  353   1HB   LEU  48           HB2      LEU  48  -1.244  -5.676  -3.817
  354   2HB   LEU  48           HB1      LEU  48  -2.073  -6.700  -4.989
  355    HG   LEU  48           HG       LEU  48  -4.082  -4.992  -4.039
  356   1HD1  LEU  48          HD12      LEU  48  -1.473  -3.502  -4.430
  357   2HD1  LEU  48          HD11      LEU  48  -3.058  -2.730  -4.461
  358   3HD1  LEU  48          HD13      LEU  48  -2.488  -3.512  -2.988
  359   1HD2  LEU  48          HD23      LEU  48  -2.574  -5.467  -6.515
  360   2HD2  LEU  48          HD22      LEU  48  -4.303  -5.224  -6.285
  361   3HD2  LEU  48          HD21      LEU  48  -3.226  -3.833  -6.406
  362    H    GLU  49           HN       GLU  49  -2.583  -9.197  -3.935
  363    HA   GLU  49           HA       GLU  49  -5.183  -9.402  -5.220
  364   1HB   GLU  49           HB2      GLU  49  -2.704 -10.833  -5.281
  365   2HB   GLU  49           HB1      GLU  49  -3.965 -11.988  -4.847
  366   1HG   GLU  49           HG2      GLU  49  -4.336 -10.060  -7.138
  367   2HG   GLU  49           HG1      GLU  49  -3.518 -11.606  -7.364
  368    H    ALA  50           HN       ALA  50  -3.692 -10.643  -2.247
  369    HA   ALA  50           HA       ALA  50  -5.852 -12.298  -1.351
  370   1HB   ALA  50           HB1      ALA  50  -3.850 -10.686   0.271
  371   2HB   ALA  50           HB3      ALA  50  -4.879 -11.963   0.918
  372   3HB   ALA  50           HB2      ALA  50  -3.636 -12.350  -0.271
  373    H    ILE  51           HN       ILE  51  -5.125  -8.883  -1.044
  374    HA   ILE  51           HA       ILE  51  -7.558  -8.231   0.464
  375    HB   ILE  51           HB       ILE  51  -5.528  -6.422  -0.892
  376   1HG1  ILE  51          HG12      ILE  51  -5.772  -7.077   2.052
  377   2HG1  ILE  51          HG11      ILE  51  -4.706  -7.977   0.974
  378   1HG2  ILE  51          HG22      ILE  51  -7.743  -5.905   1.112
  379   2HG2  ILE  51          HG21      ILE  51  -6.476  -4.738   0.732
  380   3HG2  ILE  51          HG23      ILE  51  -7.611  -5.248  -0.517
  381   1HD1  ILE  51          HD12      ILE  51  -4.549  -4.991   0.934
  382   2HD1  ILE  51          HD11      ILE  51  -3.829  -5.842   2.301
  383   3HD1  ILE  51          HD13      ILE  51  -3.279  -6.183   0.660
  384    HA   PRO  52           HA       PRO  52  -9.589  -8.458  -3.597
  385   1HB   PRO  52           HB2      PRO  52 -12.127  -7.853  -2.667
  386   2HB   PRO  52           HB1      PRO  52 -11.422  -9.479  -2.706
  387   1HG   PRO  52           HG2      PRO  52 -11.689  -7.592  -0.381
  388   2HG   PRO  52           HG1      PRO  52 -11.816  -9.361  -0.409
  389   1HD   PRO  52           HD2      PRO  52  -9.565  -8.054   0.476
  390   2HD   PRO  52           HD1      PRO  52  -9.510  -9.663  -0.277
  391    H    ALA  53           HN       ALA  53  -9.986  -6.914  -5.087
  392    HA   ALA  53           HA       ALA  53  -9.079  -4.353  -5.017
  393   1HB   ALA  53           HB1      ALA  53 -10.239  -5.771  -6.914
  394   2HB   ALA  53           HB3      ALA  53 -11.627  -4.761  -6.512
  395   3HB   ALA  53           HB2      ALA  53 -10.118  -4.016  -7.039
  396    H    TYR  54           HN       TYR  54 -12.211  -5.345  -3.730
  397    HA   TYR  54           HA       TYR  54 -13.547  -2.883  -3.572
  398   1HB   TYR  54           HB2      TYR  54 -13.824  -5.487  -2.410
  399   2HB   TYR  54           HB1      TYR  54 -14.034  -4.297  -1.127
  400    HD1  TYR  54           HD2      TYR  54 -15.054  -4.914  -4.682
  401    HD2  TYR  54           HD1      TYR  54 -16.123  -3.295  -0.851
  402    HE1  TYR  54           HE2      TYR  54 -17.317  -4.378  -5.541
  403    HE2  TYR  54           HE1      TYR  54 -18.384  -2.755  -1.710
  404    HH   TYR  54           HH       TYR  54 -19.815  -4.008  -4.025
  405    H    CYS  55           HN       CYS  55 -11.884  -4.284  -0.722
  406    HA   CYS  55           HA       CYS  55 -11.525  -1.570   0.398
  407   1HB   CYS  55           HB2      CYS  55 -10.520  -4.134   1.631
  408   2HB   CYS  55           HB1      CYS  55 -10.990  -2.637   2.433
  409    H    ARG  56           HN       ARG  56  -9.784  -3.122  -1.905
  410    HA   ARG  56           HA       ARG  56  -7.127  -3.395  -1.103
  411   1HB   ARG  56           HB2      ARG  56  -8.510  -2.855  -3.615
  412   2HB   ARG  56           HB1      ARG  56  -6.933  -2.070  -3.574
  413   1HG   ARG  56           HG2      ARG  56  -5.914  -4.247  -2.886
  414   2HG   ARG  56           HG1      ARG  56  -7.494  -5.004  -3.076
  415   1HD   ARG  56           HD2      ARG  56  -7.231  -3.694  -5.467
  416   2HD   ARG  56           HD1      ARG  56  -5.564  -4.148  -5.138
  417    HE   ARG  56           HE       ARG  56  -6.785  -6.501  -4.660
  418   1HH1  ARG  56          HH11      ARG  56  -8.044  -4.301  -6.992
  419   2HH1  ARG  56          HH12      ARG  56  -8.165  -5.499  -8.228
  420   1HH2  ARG  56          HH21      ARG  56  -6.670  -8.000  -6.380
  421   2HH2  ARG  56          HH22      ARG  56  -7.405  -7.572  -7.889
  422    H    CYS  57           HN       CYS  57  -7.779  -0.415  -2.958
  423    HA   CYS  57           HA       CYS  57  -5.792   1.235  -2.152
  424   1HB   CYS  57           HB2      CYS  57  -8.689   2.110  -2.296
  425   2HB   CYS  57           HB1      CYS  57  -7.287   3.173  -2.435
  426    H    GLU  58           HN       GLU  58  -8.744   0.926  -0.039
  427    HA   GLU  58           HA       GLU  58  -8.213   2.703   1.981
  428   1HB   GLU  58           HB2      GLU  58  -9.357  -0.052   1.964
  429   2HB   GLU  58           HB1      GLU  58  -9.015   0.688   3.529
  430   1HG   GLU  58           HG2      GLU  58 -10.486   2.257   1.428
  431   2HG   GLU  58           HG1      GLU  58 -11.355   1.082   2.416
  432    H    ALA  59           HN       ALA  59  -6.827  -0.641   1.989
  433    HA   ALA  59           HA       ALA  59  -5.305  -0.638   4.268
  434   1HB   ALA  59           HB2      ALA  59  -4.729  -1.737   1.545
  435   2HB   ALA  59           HB1      ALA  59  -3.537  -1.911   2.832
  436   3HB   ALA  59           HB3      ALA  59  -5.149  -2.600   3.025
  437    H    VAL  60           HN       VAL  60  -4.254   0.890   1.235
  438    HA   VAL  60           HA       VAL  60  -1.664   1.712   2.046
  439    HB   VAL  60           HB       VAL  60  -3.566   3.232   0.231
  440   1HG1  VAL  60          HG11      VAL  60  -0.545   3.167   0.480
  441   2HG1  VAL  60          HG13      VAL  60  -1.412   3.952  -0.838
  442   3HG1  VAL  60          HG12      VAL  60  -1.603   4.537   0.815
  443   1HG2  VAL  60          HG21      VAL  60  -2.768   0.608  -0.088
  444   2HG2  VAL  60          HG23      VAL  60  -3.218   1.690  -1.406
  445   3HG2  VAL  60          HG22      VAL  60  -1.521   1.482  -0.976
  446    H    ARG  61           HN       ARG  61  -4.775   3.443   2.248
  447    HA   ARG  61           HA       ARG  61  -3.866   5.799   3.554
  448   1HB   ARG  61           HB2      ARG  61  -6.410   4.518   2.960
  449   2HB   ARG  61           HB1      ARG  61  -6.449   5.259   4.559
  450   1HG   ARG  61           HG2      ARG  61  -5.944   7.407   3.700
  451   2HG   ARG  61           HG1      ARG  61  -5.389   6.753   2.159
  452   1HD   ARG  61           HD2      ARG  61  -7.528   6.453   1.354
  453   2HD   ARG  61           HD1      ARG  61  -8.204   6.171   2.958
  454    HE   ARG  61           HE       ARG  61  -7.515   8.823   3.073
  455   1HH1  ARG  61          HH21      ARG  61  -7.699   9.624   0.442
  456   2HH1  ARG  61          HH22      ARG  61  -9.385   9.707   0.056
  457   1HH2  ARG  61          HH11      ARG  61 -10.365   7.743   2.741
  458   2HH2  ARG  61          HH12      ARG  61 -10.895   8.641   1.358
  459    H    ILE  62           HN       ILE  62  -4.463   2.581   4.778
  460    HA   ILE  62           HA       ILE  62  -4.512   3.325   7.605
  461    HB   ILE  62           HB       ILE  62  -4.132   0.646   6.216
  462   1HG1  ILE  62          HG12      ILE  62  -6.307   1.791   5.768
  463   2HG1  ILE  62          HG11      ILE  62  -6.493   0.272   6.639
  464   1HG2  ILE  62          HG23      ILE  62  -4.076   1.403   9.059
  465   2HG2  ILE  62          HG22      ILE  62  -5.187   0.084   8.689
  466   3HG2  ILE  62          HG21      ILE  62  -3.482  -0.055   8.266
  467   1HD1  ILE  62          HD13      ILE  62  -6.177   2.652   8.368
  468   2HD1  ILE  62          HD12      ILE  62  -7.652   2.627   7.403
  469   3HD1  ILE  62          HD11      ILE  62  -7.296   1.298   8.506
  470    H    LEU  63           HN       LEU  63  -2.044   2.323   5.301
  471    HA   LEU  63           HA       LEU  63  -0.056   1.839   7.381
  472   1HB   LEU  63           HB2      LEU  63  -0.119   0.855   4.971
  473   2HB   LEU  63           HB1      LEU  63   0.597   2.393   4.490
  474    HG   LEU  63           HG       LEU  63   2.419   2.026   6.152
  475   1HD1  LEU  63          HD11      LEU  63   0.816  -0.472   6.619
  476   2HD1  LEU  63          HD13      LEU  63   2.564  -0.510   6.843
  477   3HD1  LEU  63          HD12      LEU  63   1.578   0.598   7.796
  478   1HD2  LEU  63          HD23      LEU  63   1.902   0.045   3.941
  479   2HD2  LEU  63          HD22      LEU  63   3.036   1.395   3.972
  480   3HD2  LEU  63          HD21      LEU  63   3.372  -0.060   4.908
  481    H    MET  64           HN       MET  64  -0.731   4.491   5.127
  482    HA   MET  64           HA       MET  64   1.469   6.097   6.166
  483   1HB   MET  64           HB2      MET  64   0.424   6.218   3.800
  484   2HB   MET  64           HB1      MET  64  -0.875   7.149   4.549
  485   1HG   MET  64           HG2      MET  64   0.410   8.999   4.641
  486   2HG   MET  64           HG1      MET  64   1.734   8.121   5.406
  487   1HE   MET  64           HE1      MET  64   3.684   8.700   4.600
  488   2HE   MET  64           HE3      MET  64   3.830   7.034   4.020
  489   3HE   MET  64           HE2      MET  64   4.350   8.374   3.002
  490    H    ASP  65           HN       ASP  65  -2.121   6.294   6.382
  491    HA   ASP  65           HA       ASP  65  -1.927   8.425   8.371
  492   1HB   ASP  65           HB2      ASP  65  -4.540   7.023   7.657
  493   2HB   ASP  65           HB1      ASP  65  -4.277   8.653   8.267
  494    H    GLY  66           HN       GLY  66  -2.095   4.957   8.473
  495   1HA   GLY  66           HA2      GLY  66  -1.800   3.603  10.397
  496   2HA   GLY  66           HA1      GLY  66  -1.907   5.051  11.398
  497    H    VAL  67           HN       VAL  67  -3.277   2.409  11.606
  498    HA   VAL  67           HA       VAL  67  -6.124   3.336  11.553
  499    HB   VAL  67           HB       VAL  67  -5.813   1.500  10.007
  500   1HG1  VAL  67          HG11      VAL  67  -4.610   0.027  12.365
  501   2HG1  VAL  67          HG13      VAL  67  -4.960  -0.698  10.797
  502   3HG1  VAL  67          HG12      VAL  67  -3.741   0.570  10.930
  503   1HG2  VAL  67          HG21      VAL  67  -7.850   1.540  11.526
  504   2HG2  VAL  67          HG23      VAL  67  -7.461  -0.030  10.825
  505   3HG2  VAL  67          HG22      VAL  67  -7.039   0.316  12.502
  506    H    VAL  68           HN       VAL  68  -7.466   2.424  13.315
  507    HA   VAL  68           HA       VAL  68  -5.856   2.048  15.793
  508    HB   VAL  68           HB       VAL  68  -8.533   3.408  15.365
  509   1HG1  VAL  68          HG11      VAL  68  -7.165   2.673  17.979
  510   2HG1  VAL  68          HG13      VAL  68  -8.546   3.762  17.839
  511   3HG1  VAL  68          HG12      VAL  68  -8.718   2.060  17.411
  512   1HG2  VAL  68          HG21      VAL  68  -5.740   4.208  16.069
  513   2HG2  VAL  68          HG23      VAL  68  -6.910   5.024  15.033
  514   3HG2  VAL  68          HG22      VAL  68  -7.064   5.123  16.788
  515    H    THR  69           HN       THR  69  -6.806   0.653  17.397
  516    HA   THR  69           HA       THR  69  -8.358  -1.570  16.197
  517    HB   THR  69           HB       THR  69  -7.129  -3.043  17.795
  518    HG1  THR  69           HG1      THR  69  -6.016  -2.102  19.274
  519   1HG2  THR  69          HG22      THR  69  -6.417  -2.433  15.378
  520   2HG2  THR  69          HG21      THR  69  -5.154  -1.478  16.154
  521   3HG2  THR  69          HG23      THR  69  -5.235  -3.218  16.424
  522    H    SER  70           HN       SER  70  -9.597  -2.835  17.649
  523    HA   SER  70           HA       SER  70 -11.450  -1.333  19.185
  524   1HB   SER  70           HB2      SER  70 -11.958  -3.432  17.971
  525   2HB   SER  70           HB1      SER  70 -10.965  -4.319  19.124
  526    HG   SER  70           HG       SER  70 -12.772  -4.430  20.212
  527    H    SER  71           HN       SER  71  -8.457  -2.739  20.074
  528    HA   SER  71           HA       SER  71  -9.094  -2.953  22.936
  529   1HB   SER  71           HB2      SER  71  -6.525  -3.376  23.015
  530   2HB   SER  71           HB1      SER  71  -7.558  -4.604  22.291
  531    HG   SER  71           HG       SER  71  -5.534  -3.488  21.175
  532    H    GLY  72           HN       GLY  72  -8.012  -0.518  20.768
  533   1HA   GLY  72           HA2      GLY  72  -7.890   1.824  21.499
  534   2HA   GLY  72           HA1      GLY  72  -7.340   1.242  23.072
  535    H    GLN  73           HN       GLN  73  -5.868  -0.478  20.467
  536    HA   GLN  73           HA       GLN  73  -3.345   1.085  20.888
  537   1HB   GLN  73           HB2      GLN  73  -3.791  -1.762  19.933
  538   2HB   GLN  73           HB1      GLN  73  -2.214  -0.978  20.043
  539   1HG   GLN  73           HG2      GLN  73  -2.716  -0.534  22.488
  540   2HG   GLN  73           HG1      GLN  73  -4.123  -1.585  22.314
  541   1HE2  GLN  73          HE22      GLN  73  -0.601  -3.287  23.017
  542   2HE2  GLN  73          HE21      GLN  73  -0.956  -1.656  23.321
  543    H    HIS  74           HN       HIS  74  -1.981   1.430  18.920
  544    HA   HIS  74           HA       HIS  74  -3.685   1.694  16.481
  545   1HB   HIS  74           HB2      HIS  74  -1.380   3.315  17.550
  546   2HB   HIS  74           HB1      HIS  74  -1.888   3.430  15.884
  547    HD1  HIS  74           HD1      HIS  74  -2.863   5.786  15.996
  548    HD2  HIS  74           HD2      HIS  74  -4.509   3.226  18.842
  549    HE1  HIS  74           HE1      HIS  74  -4.838   7.008  17.006
  550    H    GLU  75           HN       GLU  75  -2.624   1.260  14.457
  551    HA   GLU  75           HA       GLU  75  -0.099  -0.279  14.598
  552   1HB   GLU  75           HB2      GLU  75  -2.474  -1.213  12.977
  553   2HB   GLU  75           HB1      GLU  75  -0.973  -2.081  13.295
  554   1HG   GLU  75           HG2      GLU  75  -2.830  -1.254  15.529
  555   2HG   GLU  75           HG1      GLU  75  -3.015  -2.787  14.679
  556    H    GLY  76           HN       GLY  76   0.448  -0.880  12.124
  557   1HA   GLY  76           HA2      GLY  76   1.259   0.023  10.117
  558   2HA   GLY  76           HA1      GLY  76  -0.297   0.853  10.013
  559    H    ARG  77           HN       ARG  77   0.569   2.814   9.294
  560    HA   ARG  77           HA       ARG  77   1.540   4.958   9.485
  561   1HB   ARG  77           HB2      ARG  77   0.112   4.440  11.775
  562   2HB   ARG  77           HB1      ARG  77   1.694   4.857  12.430
  563   1HG   ARG  77           HG2      ARG  77   0.803   6.635  10.254
  564   2HG   ARG  77           HG1      ARG  77  -0.231   6.681  11.681
  565   1HD   ARG  77           HD2      ARG  77   2.752   6.814  12.015
  566   2HD   ARG  77           HD1      ARG  77   1.863   8.265  11.552
  567    HE   ARG  77           HE       ARG  77   0.577   7.040  13.801
  568   1HH1  ARG  77          HH11      ARG  77   1.088   9.942  13.706
  569   2HH1  ARG  77          HH12      ARG  77   2.343  10.156  14.881
  570   1HH2  ARG  77          HH21      ARG  77   3.203   6.798  14.968
  571   2HH2  ARG  77          HH22      ARG  77   3.539   8.377  15.595
  572    H    LEU  78           HN       LEU  78   3.306   2.415   9.653
  573    HA   LEU  78           HA       LEU  78   5.551   3.244  11.322
  574   1HB   LEU  78           HB2      LEU  78   4.703   0.830   9.936
  575   2HB   LEU  78           HB1      LEU  78   6.401   1.173   9.621
  576    HG   LEU  78           HG       LEU  78   6.739   1.454  12.097
  577   1HD1  LEU  78          HD11      LEU  78   3.835   0.639  12.054
  578   2HD1  LEU  78          HD13      LEU  78   4.847   0.315  13.461
  579   3HD1  LEU  78          HD12      LEU  78   4.589   1.975  12.923
  580   1HD2  LEU  78          HD22      LEU  78   5.971  -1.072  10.729
  581   2HD2  LEU  78          HD21      LEU  78   7.471  -0.652  11.556
  582   3HD2  LEU  78          HD23      LEU  78   6.058  -1.143  12.489
  583    H    LEU  79           HN       LEU  79   4.504   3.934   8.087
  584    HA   LEU  79           HA       LEU  79   7.046   4.217   6.788
  585   1HB   LEU  79           HB2      LEU  79   4.453   5.749   6.387
  586   2HB   LEU  79           HB1      LEU  79   5.830   5.803   5.285
  587    HG   LEU  79           HG       LEU  79   4.847   3.096   6.014
  588   1HD1  LEU  79          HD12      LEU  79   3.249   5.106   4.429
  589   2HD1  LEU  79          HD11      LEU  79   3.113   3.377   4.109
  590   3HD1  LEU  79          HD13      LEU  79   2.693   4.015   5.700
  591   1HD2  LEU  79          HD23      LEU  79   5.649   4.443   3.413
  592   2HD2  LEU  79          HD22      LEU  79   6.705   3.463   4.430
  593   3HD2  LEU  79          HD21      LEU  79   5.330   2.720   3.614
  594    H    GLN  80           HN       GLN  80   8.516   5.185   8.229
  595    HA   GLN  80           HA       GLN  80   8.072   8.091   8.745
  596   1HB   GLN  80           HB2      GLN  80   9.268   6.121  10.711
  597   2HB   GLN  80           HB1      GLN  80   9.045   7.851  10.971
  598   1HG   GLN  80           HG2      GLN  80   6.513   7.084  10.239
  599   2HG   GLN  80           HG1      GLN  80   7.074   5.656  11.110
  600   1HE2  GLN  80          HE22      GLN  80   7.620   7.613  14.179
  601   2HE2  GLN  80          HE21      GLN  80   8.467   6.487  13.233
  602    H    ASP  81           HN       ASP  81  10.283   8.904   9.744
  603    HA   ASP  81           HA       ASP  81  12.163   9.196   7.739
  604   1HB   ASP  81           HB2      ASP  81  12.413   9.340  10.752
  605   2HB   ASP  81           HB1      ASP  81  13.785   9.690   9.695
  606    H    LEU  82           HN       LEU  82  13.735   8.035   6.912
  607    HA   LEU  82           HA       LEU  82  14.819   5.635   8.315
  608   1HB   LEU  82           HB2      LEU  82  13.758   5.908   5.514
  609   2HB   LEU  82           HB1      LEU  82  15.036   4.750   5.830
  610    HG   LEU  82           HG       LEU  82  12.411   4.849   7.348
  611   1HD1  LEU  82          HD11      LEU  82  12.451   4.205   4.786
  612   2HD1  LEU  82          HD13      LEU  82  13.159   2.703   5.380
  613   3HD1  LEU  82          HD12      LEU  82  11.557   3.201   5.927
  614   1HD2  LEU  82          HD22      LEU  82  14.725   2.890   7.249
  615   2HD2  LEU  82          HD21      LEU  82  14.150   3.793   8.651
  616   3HD2  LEU  82          HD23      LEU  82  13.161   2.504   7.967
  617    HA   PRO  83           HA       PRO  83  18.723   7.401   7.312
  618   1HB   PRO  83           HB2      PRO  83  20.246   5.294   6.387
  619   2HB   PRO  83           HB1      PRO  83  19.872   5.574   8.097
  620   1HG   PRO  83           HG2      PRO  83  18.666   3.589   6.206
  621   2HG   PRO  83           HG1      PRO  83  18.923   3.460   7.955
  622   1HD   PRO  83           HD2      PRO  83  16.470   4.018   6.776
  623   2HD   PRO  83           HD1      PRO  83  16.887   4.435   8.449
  624    H    GLY  84           HN       GLY  84  18.264   8.783   5.636
  625   1HA   GLY  84           HA2      GLY  84  18.862   9.613   3.487
  626   2HA   GLY  84           HA1      GLY  84  19.155   7.961   2.944
  627    H    CYS  85           HN       CYS  85  16.141   8.107   4.569
  628    HA   CYS  85           HA       CYS  85  14.676   8.753   2.053
  629   1HB   CYS  85           HB2      CYS  85  13.818   6.376   3.674
  630   2HB   CYS  85           HB1      CYS  85  13.474   6.749   1.996
  631    HA   PRO  86           HA       PRO  86  12.591  10.749   5.675
  632   1HB   PRO  86           HB2      PRO  86  11.718  12.956   4.268
  633   2HB   PRO  86           HB1      PRO  86  13.288  12.861   5.057
  634   1HG   PRO  86           HG2      PRO  86  12.633  12.672   2.165
  635   2HG   PRO  86           HG1      PRO  86  14.132  13.208   2.941
  636   1HD   PRO  86           HD2      PRO  86  13.725  10.705   1.738
  637   2HD   PRO  86           HD1      PRO  86  15.049  11.103   2.849
  638    H    ARG  87           HN       ARG  87  10.255  11.389   5.965
  639    HA   ARG  87           HA       ARG  87   8.392   9.587   4.910
  640   1HB   ARG  87           HB2      ARG  87   8.060  12.360   6.059
  641   2HB   ARG  87           HB1      ARG  87   6.686  11.337   5.627
  642   1HG   ARG  87           HG2      ARG  87   7.686   9.540   7.012
  643   2HG   ARG  87           HG1      ARG  87   8.893  10.704   7.552
  644   1HD   ARG  87           HD2      ARG  87   7.140  10.658   9.224
  645   2HD   ARG  87           HD1      ARG  87   6.997  12.178   8.339
  646    HE   ARG  87           HE       ARG  87   5.267  10.676   6.935
  647   1HH1  ARG  87          HH21      ARG  87   5.608   8.993   9.626
  648   2HH1  ARG  87          HH22      ARG  87   4.101   9.397  10.378
  649   1HH2  ARG  87          HH11      ARG  87   3.407  12.003   8.207
  650   2HH2  ARG  87          HH12      ARG  87   2.858  11.097   9.576
  651    H    GLN  88           HN       GLN  88   9.604  12.584   3.664
  652    HA   GLN  88           HA       GLN  88   7.488  13.270   1.869
  653   1HB   GLN  88           HB2      GLN  88  10.136  14.201   2.452
  654   2HB   GLN  88           HB1      GLN  88   9.967  14.085   0.702
  655   1HG   GLN  88           HG2      GLN  88   7.706  15.301   2.232
  656   2HG   GLN  88           HG1      GLN  88   9.174  16.259   2.042
  657   1HE2  GLN  88          HE22      GLN  88   6.665  15.920  -1.072
  658   2HE2  GLN  88          HE21      GLN  88   6.258  15.437   0.503
  659    H    VAL  89           HN       VAL  89  10.431  11.298   1.192
  660    HA   VAL  89           HA       VAL  89   9.782  10.921  -1.583
  661    HB   VAL  89           HB       VAL  89  11.600   9.334   0.238
  662   1HG1  VAL  89          HG13      VAL  89  10.849   8.562  -2.216
  663   2HG1  VAL  89          HG12      VAL  89  12.083   9.734  -2.680
  664   3HG1  VAL  89          HG11      VAL  89  12.508   8.364  -1.653
  665   1HG2  VAL  89          HG22      VAL  89  11.849  11.916  -1.223
  666   2HG2  VAL  89          HG21      VAL  89  12.389  11.487   0.400
  667   3HG2  VAL  89          HG23      VAL  89  13.273  10.897  -1.008
  668    H    GLN  90           HN       GLN  90   9.345   8.890   1.317
  669    HA   GLN  90           HA       GLN  90   8.204   6.672  -0.163
  670   1HB   GLN  90           HB2      GLN  90   7.513   5.815   2.050
  671   2HB   GLN  90           HB1      GLN  90   9.198   6.328   2.061
  672   1HG   GLN  90           HG2      GLN  90   8.154   8.631   2.858
  673   2HG   GLN  90           HG1      GLN  90   6.825   7.594   3.374
  674   1HE2  GLN  90          HE22      GLN  90  10.512   6.958   5.100
  675   2HE2  GLN  90          HE21      GLN  90  10.439   7.526   3.502
  676    H    ARG  91           HN       ARG  91   6.957   9.634   1.170
  677    HA   ARG  91           HA       ARG  91   4.146   8.839   1.038
  678   1HB   ARG  91           HB2      ARG  91   4.994  10.577   2.624
  679   2HB   ARG  91           HB1      ARG  91   5.324  11.626   1.246
  680   1HG   ARG  91           HG2      ARG  91   3.128  12.143   0.954
  681   2HG   ARG  91           HG1      ARG  91   2.599  10.490   1.274
  682   1HD   ARG  91           HD2      ARG  91   3.282  11.029   3.745
  683   2HD   ARG  91           HD1      ARG  91   3.147  12.709   3.229
  684    HE   ARG  91           HE       ARG  91   0.805  11.256   2.424
  685   1HH1  ARG  91          HH11      ARG  91   2.032  11.088   5.475
  686   2HH1  ARG  91          HH12      ARG  91   0.774  11.990   6.254
  687   1HH2  ARG  91          HH21      ARG  91  -0.654  13.067   3.285
  688   2HH2  ARG  91          HH22      ARG  91  -0.746  13.110   5.014
  689    H    ALA  92           HN       ALA  92   6.464  10.388  -1.104
  690    HA   ALA  92           HA       ALA  92   4.471  11.378  -2.980
  691   1HB   ALA  92           HB3      ALA  92   7.453  11.202  -2.883
  692   2HB   ALA  92           HB2      ALA  92   6.688  11.411  -4.458
  693   3HB   ALA  92           HB1      ALA  92   6.420  12.600  -3.185
  694    H    PHE  93           HN       PHE  93   6.737   8.618  -2.970
  695    HA   PHE  93           HA       PHE  93   5.728   7.542  -5.483
  696   1HB   PHE  93           HB2      PHE  93   8.065   7.222  -4.817
  697   2HB   PHE  93           HB1      PHE  93   7.546   6.353  -3.379
  698    HD1  PHE  93           HD1      PHE  93   7.356   6.264  -7.110
  699    HD2  PHE  93           HD2      PHE  93   7.181   4.016  -3.453
  700    HE1  PHE  93           HE1      PHE  93   7.292   4.156  -8.409
  701    HE2  PHE  93           HE2      PHE  93   7.118   1.908  -4.755
  702    HZ   PHE  93           HZ       PHE  93   7.175   1.977  -7.233
  703    H    ALA  94           HN       ALA  94   5.013   7.019  -2.086
  704    HA   ALA  94           HA       ALA  94   3.920   4.446  -2.115
  705   1HB   ALA  94           HB2      ALA  94   3.446   6.875  -0.452
  706   2HB   ALA  94           HB1      ALA  94   2.349   5.507  -0.263
  707   3HB   ALA  94           HB3      ALA  94   4.078   5.295   0.012
  708    HA   PRO  95           HA       PRO  95  -0.474   6.202  -3.082
  709   1HB   PRO  95           HB2      PRO  95  -0.608   8.595  -4.439
  710   2HB   PRO  95           HB1      PRO  95  -0.729   8.425  -2.679
  711   1HG   PRO  95           HG2      PRO  95   1.582   9.363  -4.328
  712   2HG   PRO  95           HG1      PRO  95   1.124   9.813  -2.676
  713   1HD   PRO  95           HD2      PRO  95   3.166   8.037  -3.332
  714   2HD   PRO  95           HD1      PRO  95   2.372   8.115  -1.749
  715    H    LYS  96           HN       LYS  96   2.112   5.838  -5.198
  716    HA   LYS  96           HA       LYS  96   0.267   5.533  -7.541
  717   1HB   LYS  96           HB2      LYS  96   3.202   6.233  -7.379
  718   2HB   LYS  96           HB1      LYS  96   2.484   5.621  -8.868
  719   1HG   LYS  96           HG2      LYS  96   0.828   7.724  -7.723
  720   2HG   LYS  96           HG1      LYS  96   2.479   8.292  -7.963
  721   1HD   LYS  96           HD2      LYS  96   1.708   8.699 -10.084
  722   2HD   LYS  96           HD1      LYS  96   2.123   6.998 -10.306
  723   1HE   LYS  96           HE2      LYS  96  -0.047   6.848 -11.013
  724   2HE   LYS  96           HE1      LYS  96  -0.378   6.740  -9.286
  725   1HZ   LYS  96           HZ2      LYS  96  -0.236   9.335 -10.701
  726   2HZ   LYS  96           HZ1      LYS  96  -1.681   8.447 -10.593
  727   3HZ   LYS  96           HZ3      LYS  96  -0.919   9.000  -9.182
  728    H    LEU  97           HN       LEU  97   0.978   3.627  -5.275
  729    HA   LEU  97           HA       LEU  97   2.641   1.531  -6.369
  730   1HB   LEU  97           HB2      LEU  97   1.810   2.129  -3.897
  731   2HB   LEU  97           HB1      LEU  97   0.642   0.864  -4.278
  732    HG   LEU  97           HG       LEU  97   3.384   0.171  -5.091
  733   1HD1  LEU  97          HD11      LEU  97   3.882   1.511  -3.059
  734   2HD1  LEU  97          HD13      LEU  97   2.767   0.498  -2.138
  735   3HD1  LEU  97          HD12      LEU  97   4.234  -0.202  -2.825
  736   1HD2  LEU  97          HD21      LEU  97   1.342  -1.340  -4.935
  737   2HD2  LEU  97          HD23      LEU  97   2.783  -1.948  -4.120
  738   3HD2  LEU  97          HD22      LEU  97   1.481  -1.217  -3.181
  739    H    VAL  98           HN       VAL  98  -0.901   2.054  -6.771
  740    HA   VAL  98           HA       VAL  98  -1.248  -0.749  -7.642
  741    HB   VAL  98           HB       VAL  98  -3.604  -0.151  -7.843
  742   1HG1  VAL  98          HG13      VAL  98  -2.298  -0.630  -5.625
  743   2HG1  VAL  98          HG12      VAL  98  -2.733   1.041  -5.258
  744   3HG1  VAL  98          HG11      VAL  98  -3.995  -0.150  -5.578
  745   1HG2  VAL  98          HG21      VAL  98  -2.634   2.480  -8.119
  746   2HG2  VAL  98          HG23      VAL  98  -4.323   1.988  -8.042
  747   3HG2  VAL  98          HG22      VAL  98  -3.478   2.464  -6.571
  748    H    THR  99           HN       THR  99   0.366   1.271  -9.195
  749    HA   THR  99           HA       THR  99  -1.227   1.478 -11.694
  750    HB   THR  99           HB       THR  99   0.409   3.054 -12.475
  751    HG1  THR  99           HG1      THR  99   2.382   3.324 -11.409
  752   1HG2  THR  99          HG21      THR  99  -1.088   3.793 -10.576
  753   2HG2  THR  99          HG23      THR  99   0.283   3.527  -9.498
  754   3HG2  THR  99          HG22      THR  99   0.391   4.733 -10.781
  755    H    GLU 100           HN       GLU 100   0.191   0.995 -13.798
  756    HA   GLU 100           HA       GLU 100   0.863  -1.770 -13.743
  757   1HB   GLU 100           HB2      GLU 100   1.697   0.341 -15.750
  758   2HB   GLU 100           HB1      GLU 100   1.711  -1.403 -16.020
  759   1HG   GLU 100           HG2      GLU 100  -0.827  -1.173 -15.221
  760   2HG   GLU 100           HG1      GLU 100  -0.612   0.469 -15.829
  761    H    VAL 101           HN       VAL 101   2.800   0.683 -12.313
  762    HA   VAL 101           HA       VAL 101   5.334  -0.653 -13.093
  763    HB   VAL 101           HB       VAL 101   4.909   1.853 -11.439
  764   1HG1  VAL 101          HG13      VAL 101   7.300   0.400 -12.530
  765   2HG1  VAL 101          HG12      VAL 101   7.356   2.156 -12.370
  766   3HG1  VAL 101          HG11      VAL 101   7.078   1.150 -10.949
  767   1HG2  VAL 101          HG23      VAL 101   4.186   1.728 -13.994
  768   2HG2  VAL 101          HG22      VAL 101   5.067   3.124 -13.376
  769   3HG2  VAL 101          HG21      VAL 101   5.924   1.860 -14.258
  770    H    GLU 102           HN       GLU 102   3.027  -1.240 -10.783
  771    HA   GLU 102           HA       GLU 102   5.095  -2.300  -8.929
  772   1HB   GLU 102           HB2      GLU 102   2.965  -0.314  -8.274
  773   2HB   GLU 102           HB1      GLU 102   3.385  -1.518  -7.054
  774   1HG   GLU 102           HG2      GLU 102   5.728  -0.292  -8.350
  775   2HG   GLU 102           HG1      GLU 102   4.731   0.861  -7.469
  776    H    CYS 103           HN       CYS 103   1.623  -2.214  -8.191
  777    HA   CYS 103           HA       CYS 103   1.339  -5.083  -8.969
  778   1HB   CYS 103           HB2      CYS 103   1.171  -3.929  -6.190
  779   2HB   CYS 103           HB1      CYS 103   0.229  -5.357  -6.622
  780    H    ASN 104           HN       ASN 104   0.134  -2.797 -10.244
  781    HA   ASN 104           HA       ASN 104  -2.295  -1.808  -9.448
  782   1HB   ASN 104           HB2      ASN 104  -1.235  -1.338 -11.617
  783   2HB   ASN 104           HB1      ASN 104  -1.683  -2.933 -12.191
  784   1HD2  ASN 104          HD22      ASN 104  -4.333  -0.783 -13.511
  785   2HD2  ASN 104          HD21      ASN 104  -2.711  -1.170 -13.830
  786    H    LEU 105           HN       LEU 105  -2.175  -4.823 -11.430
  787    HA   LEU 105           HA       LEU 105  -3.824  -6.508 -11.663
  788   1HB   LEU 105           HB2      LEU 105  -3.857  -6.174  -8.642
  789   2HB   LEU 105           HB1      LEU 105  -4.412  -7.593  -9.529
  790    HG   LEU 105           HG       LEU 105  -1.640  -6.645 -10.087
  791   1HD1  LEU 105          HD11      LEU 105  -2.557  -7.873  -7.488
  792   2HD1  LEU 105          HD13      LEU 105  -0.925  -8.146  -8.099
  793   3HD1  LEU 105          HD12      LEU 105  -1.468  -6.509  -7.737
  794   1HD2  LEU 105          HD21      LEU 105  -2.988  -8.700 -11.036
  795   2HD2  LEU 105          HD23      LEU 105  -1.284  -8.892 -10.621
  796   3HD2  LEU 105          HD22      LEU 105  -2.532  -9.457  -9.511
  797    H    ALA 106           HN       ALA 106  -4.822  -3.678 -11.745
  798    HA   ALA 106           HA       ALA 106  -6.861  -2.568 -11.942
  799   1HB   ALA 106           HB2      ALA 106  -7.520  -5.082 -12.612
  800   2HB   ALA 106           HB1      ALA 106  -8.411  -4.986 -11.093
  801   3HB   ALA 106           HB3      ALA 106  -8.748  -3.836 -12.387
  802    H    THR 107           HN       THR 107  -8.541  -1.689 -10.537
  803    HA   THR 107           HA       THR 107  -8.145  -2.318  -7.629
  804    HB   THR 107           HB       THR 107  -7.919  -0.029  -7.072
  805    HG1  THR 107           HG1      THR 107  -9.048   0.492  -9.629
  806   1HG2  THR 107          HG21      THR 107  -6.169  -1.022  -8.863
  807   2HG2  THR 107          HG23      THR 107  -6.753   0.375  -9.765
  808   3HG2  THR 107          HG22      THR 107  -6.026   0.595  -8.172
  809    H    ILE 108           HN       ILE 108 -10.124  -0.514  -6.670
  810    HA   ILE 108           HA       ILE 108 -12.570  -1.938  -7.304
  811    HB   ILE 108           HB       ILE 108 -12.190  -0.859  -5.087
  812   1HG1  ILE 108          HG12      ILE 108 -14.525   0.456  -6.493
  813   2HG1  ILE 108          HG11      ILE 108 -14.502  -1.265  -6.102
  814   1HG2  ILE 108          HG23      ILE 108 -11.038   1.180  -6.062
  815   2HG2  ILE 108          HG22      ILE 108 -12.632   1.763  -6.539
  816   3HG2  ILE 108          HG21      ILE 108 -12.250   1.536  -4.833
  817   1HD1  ILE 108          HD11      ILE 108 -13.974  -0.565  -3.699
  818   2HD1  ILE 108          HD13      ILE 108 -14.398   1.075  -4.190
  819   3HD1  ILE 108          HD12      ILE 108 -15.605  -0.210  -4.269
  820    H    HIS 109           HN       HIS 109 -11.047   1.041  -8.347
  821    HA   HIS 109           HA       HIS 109 -13.214   2.211  -9.788
  822   1HB   HIS 109           HB2      HIS 109 -10.205   2.479 -10.088
  823   2HB   HIS 109           HB1      HIS 109 -11.375   3.483 -10.937
  824    HD1  HIS 109           HD1      HIS 109 -13.051   4.873  -9.325
  825    HD2  HIS 109           HD2      HIS 109  -9.598   3.372  -7.532
  826    HE1  HIS 109           HE1      HIS 109 -12.714   6.182  -7.195
  827    H    GLY 110           HN       GLY 110 -11.587  -0.705 -10.512
  828   1HA   GLY 110           HA2      GLY 110 -11.545  -2.051 -12.416
  829   2HA   GLY 110           HA1      GLY 110 -12.852  -1.041 -13.038
  830    H    GLY 111           HN       GLY 111  -9.539  -0.057 -12.172
  831   1HA   GLY 111           HA2      GLY 111  -8.502   0.044 -14.850
  832   2HA   GLY 111           HA1      GLY 111  -9.122   1.631 -14.396
  833    HA   PRO 112           HA       PRO 112  -4.798   0.945 -12.599
  834   1HB   PRO 112           HB2      PRO 112  -3.363   2.491 -14.380
  835   2HB   PRO 112           HB1      PRO 112  -3.570   0.744 -14.544
  836   1HG   PRO 112           HG2      PRO 112  -4.842   2.945 -16.086
  837   2HG   PRO 112           HG1      PRO 112  -4.576   1.261 -16.560
  838   1HD   PRO 112           HD2      PRO 112  -7.033   2.388 -15.697
  839   2HD   PRO 112           HD1      PRO 112  -6.684   0.660 -15.899
  840    H    PHE 113           HN       PHE 113  -6.142   2.393 -11.099
  841    HA   PHE 113           HA       PHE 113  -4.735   4.750 -10.482
  842   1HB   PHE 113           HB2      PHE 113  -6.458   6.505 -11.005
  843   2HB   PHE 113           HB1      PHE 113  -5.653   5.835 -12.416
  844    HD1  PHE 113           HD1      PHE 113  -6.843   4.274 -13.917
  845    HD2  PHE 113           HD2      PHE 113  -8.834   6.138 -10.595
  846    HE1  PHE 113           HE1      PHE 113  -9.032   3.710 -14.922
  847    HE2  PHE 113           HE2      PHE 113 -11.026   5.568 -11.605
  848    HZ   PHE 113           HZ       PHE 113 -11.126   4.364 -13.776
  849    H    CYS 114           HN       CYS 114  -5.624   5.895  -8.609
  850    HA   CYS 114           HA       CYS 114  -8.098   5.319  -7.347
  851   1HB   CYS 114           HB2      CYS 114  -6.756   3.022  -7.253
  852   2HB   CYS 114           HB1      CYS 114  -5.902   3.833  -5.978
  853    H    LEU 115           HN       LEU 115  -8.129   6.288  -5.126
  854    HA   LEU 115           HA       LEU 115  -7.544   8.000  -3.636
  855   1HB   LEU 115           HB2      LEU 115  -5.302   6.219  -3.902
  856   2HB   LEU 115           HB1      LEU 115  -4.687   7.861  -3.726
  857    HG   LEU 115           HG       LEU 115  -6.325   8.092  -1.761
  858   1HD1  LEU 115          HD13      LEU 115  -6.593   5.204  -2.477
  859   2HD1  LEU 115          HD12      LEU 115  -6.589   5.627  -0.765
  860   3HD1  LEU 115          HD11      LEU 115  -7.802   6.319  -1.841
  861   1HD2  LEU 115          HD23      LEU 115  -3.806   7.698  -1.637
  862   2HD2  LEU 115          HD22      LEU 115  -4.724   7.174  -0.225
  863   3HD2  LEU 115          HD21      LEU 115  -4.174   5.988  -1.408
  864    H    SER 116           HN       SER 116  -7.506   8.486  -6.678
  865    HA   SER 116           HA       SER 116  -6.521  11.231  -6.545
  866   1HB   SER 116           HB2      SER 116  -4.642   9.372  -7.295
  867   2HB   SER 116           HB1      SER 116  -5.311   9.845  -8.854
  868    HG   SER 116           HG       SER 116  -4.132  11.467  -6.853
  869    H    LEU 117           HN       LEU 117  -7.022   8.890  -9.214
  870    HA   LEU 117           HA       LEU 117  -8.532   8.906 -11.013
  871   1HB   LEU 117           HB2      LEU 117 -10.022   9.365  -8.692
  872   2HB   LEU 117           HB1      LEU 117 -10.542  10.650  -9.783
  873    HG   LEU 117           HG       LEU 117 -10.348   7.784 -10.715
  874   1HD1  LEU 117          HD12      LEU 117 -12.727   9.171  -9.449
  875   2HD1  LEU 117          HD11      LEU 117 -12.780   7.606 -10.259
  876   3HD1  LEU 117          HD13      LEU 117 -11.848   7.798  -8.775
  877   1HD2  LEU 117          HD22      LEU 117 -11.805  10.275 -11.629
  878   2HD2  LEU 117          HD21      LEU 117 -10.545   9.391 -12.490
  879   3HD2  LEU 117          HD23      LEU 117 -12.142   8.672 -12.281
  880    H    LEU 118           HN       LEU 118  -6.503  11.070 -10.657
  881    HA   LEU 118           HA       LEU 118  -5.807  12.891 -11.896
  882   1HB   LEU 118           HB2      LEU 118  -8.446  12.461 -13.250
  883   2HB   LEU 118           HB1      LEU 118  -7.558  13.947 -13.510
  884    HG   LEU 118           HG       LEU 118  -6.290  11.218 -13.777
  885   1HD1  LEU 118          HD13      LEU 118  -8.304  11.697 -15.333
  886   2HD1  LEU 118          HD12      LEU 118  -7.262  12.907 -16.081
  887   3HD1  LEU 118          HD11      LEU 118  -6.789  11.208 -16.091
  888   1HD2  LEU 118          HD21      LEU 118  -5.513  14.057 -14.283
  889   2HD2  LEU 118          HD23      LEU 118  -4.529  12.711 -13.709
  890   3HD2  LEU 118          HD22      LEU 118  -4.925  12.846 -15.423
  891    H    GLY 119           HN       GLY 119  -8.611  13.133  -9.859
  892   1HA   GLY 119           HA2      GLY 119  -8.265  15.111  -8.257
  893   2HA   GLY 119           HA1      GLY 119  -8.257  16.085  -9.725
  894    H    ALA 120           HN       ALA 120 -10.128  16.871  -8.031
  895    HA   ALA 120           HA       ALA 120 -12.677  15.466  -8.642
  896   1HB   ALA 120           HB2      ALA 120 -11.875  16.340  -6.282
  897   2HB   ALA 120           HB1      ALA 120 -12.486  17.884  -6.874
  898   3HB   ALA 120           HB3      ALA 120 -13.568  16.496  -6.751
  899    H    GLY 121           HN       GLY 121 -11.495  16.716 -10.814
  900   1HA   GLY 121           HA2      GLY 121 -12.859  19.323 -11.198
  901   2HA   GLY 121           HA1      GLY 121 -11.676  18.609 -12.294
  902    H    GLU 122           HN       GLU 122 -14.286  16.637 -11.050
  903    HA   GLU 122           HA       GLU 122 -15.442  16.503 -13.796
  904   1HB   GLU 122           HB2      GLU 122 -15.283  14.593 -11.487
  905   2HB   GLU 122           HB1      GLU 122 -16.614  14.434 -12.632
  906   1HG   GLU 122           HG2      GLU 122 -14.364  14.787 -14.258
  907   2HG   GLU 122           HG1      GLU 122 -13.794  13.738 -12.961
   
  No H/Q in entry =         907
  Start of MODEL           9
 Raw file had  930 H/Q atoms
  Start of MODEL    9
    1   1H    SER   1           HT3      SER   1 -27.667   2.389  11.841
    2   2H    SER   1           HT2      SER   1 -29.245   1.780  11.674
    3   3H    SER   1           HT1      SER   1 -28.302   1.349  13.021
    4    HA   SER   1           HA       SER   1 -28.365  -0.471  11.458
    5   1HB   SER   1           HB2      SER   1 -28.706   1.161   9.494
    6   2HB   SER   1           HB1      SER   1 -26.957   1.365   9.513
    7    HG   SER   1           HG       SER   1 -27.988  -0.377   8.147
    8    H    VAL   2           HN       VAL   2 -26.754  -1.766  12.194
    9    HA   VAL   2           HA       VAL   2 -24.493  -0.981  13.579
   10    HB   VAL   2           HB       VAL   2 -25.045  -3.295  13.608
   11   1HG1  VAL   2          HG13      VAL   2 -25.813  -2.945  11.007
   12   2HG1  VAL   2          HG12      VAL   2 -24.335  -3.886  10.801
   13   3HG1  VAL   2          HG11      VAL   2 -25.653  -4.519  11.787
   14   1HG2  VAL   2          HG21      VAL   2 -22.533  -2.602  13.456
   15   2HG2  VAL   2          HG23      VAL   2 -22.946  -4.306  13.271
   16   3HG2  VAL   2          HG22      VAL   2 -22.597  -3.324  11.848
   17    H    GLY   3           HN       GLY   3 -24.470  -1.867  10.097
   18   1HA   GLY   3           HA2      GLY   3 -23.307  -0.489   8.449
   19   2HA   GLY   3           HA1      GLY   3 -22.269   0.111   9.742
   20    H    THR   4           HN       THR   4 -21.513  -1.194   7.181
   21    HA   THR   4           HA       THR   4 -19.666  -3.180   8.349
   22    HB   THR   4           HB       THR   4 -21.494  -4.622   7.712
   23    HG1  THR   4           HG1      THR   4 -20.386  -5.443   5.598
   24   1HG2  THR   4          HG23      THR   4 -22.021  -2.627   5.822
   25   2HG2  THR   4          HG22      THR   4 -21.575  -4.040   4.866
   26   3HG2  THR   4          HG21      THR   4 -22.903  -4.141   6.023
   27    H    SER   5           HN       SER   5 -18.719  -0.846   7.589
   28    HA   SER   5           HA       SER   5 -18.038  -0.874   4.715
   29   1HB   SER   5           HB2      SER   5 -18.497   1.191   6.391
   30   2HB   SER   5           HB1      SER   5 -16.748   1.067   6.564
   31    HG   SER   5           HG       SER   5 -16.598   1.955   4.675
   32    H    CYS   6           HN       CYS   6 -16.936  -3.078   5.331
   33    HA   CYS   6           HA       CYS   6 -14.919  -4.263   5.490
   34   1HB   CYS   6           HB2      CYS   6 -13.893  -1.469   4.954
   35   2HB   CYS   6           HB1      CYS   6 -12.820  -2.860   5.102
   36    H    ILE   7           HN       ILE   7 -13.668  -4.974   7.194
   37    HA   ILE   7           HA       ILE   7 -13.221  -3.101   9.473
   38    HB   ILE   7           HB       ILE   7 -13.935  -4.735  11.080
   39   1HG1  ILE   7          HG12      ILE   7 -12.984  -6.688   9.806
   40   2HG1  ILE   7          HG11      ILE   7 -14.573  -6.996  10.504
   41   1HG2  ILE   7          HG22      ILE   7 -15.752  -3.459   9.994
   42   2HG2  ILE   7          HG21      ILE   7 -15.917  -4.735   8.788
   43   3HG2  ILE   7          HG23      ILE   7 -16.289  -5.067  10.480
   44   1HD1  ILE   7          HD11      ILE   7 -15.227  -5.957   8.038
   45   2HD1  ILE   7          HD13      ILE   7 -13.762  -6.871   7.678
   46   3HD1  ILE   7          HD12      ILE   7 -15.145  -7.678   8.417
   47    HA   PRO   8           HA       PRO   8  -9.195  -4.816   9.441
   48   1HB   PRO   8           HB2      PRO   8  -8.524  -4.601  12.101
   49   2HB   PRO   8           HB1      PRO   8  -8.599  -3.223  10.989
   50   1HG   PRO   8           HG2      PRO   8 -10.509  -4.005  13.140
   51   2HG   PRO   8           HG1      PRO   8 -10.188  -2.405  12.451
   52   1HD   PRO   8           HD2      PRO   8 -12.403  -4.059  11.842
   53   2HD   PRO   8           HD1      PRO   8 -11.898  -2.617  10.936
   54    H    GLY   9           HN       GLY   9  -7.824  -6.609  10.389
   55   1HA   GLY   9           HA2      GLY   9  -7.540  -8.836  11.047
   56   2HA   GLY   9           HA1      GLY   9  -8.866  -8.573  12.177
   57    H    MET  10           HN       MET  10  -9.771  -7.843   8.988
   58    HA   MET  10           HA       MET  10 -10.771 -10.605   8.470
   59   1HB   MET  10           HB2      MET  10 -12.405  -8.094   8.759
   60   2HB   MET  10           HB1      MET  10 -12.972  -9.430   7.759
   61   1HG   MET  10           HG2      MET  10 -12.218 -10.782   9.990
   62   2HG   MET  10           HG1      MET  10 -12.721  -9.251  10.705
   63   1HE   MET  10           HE2      MET  10 -14.399 -10.230  12.031
   64   2HE   MET  10           HE1      MET  10 -15.185  -8.810  11.346
   65   3HE   MET  10           HE3      MET  10 -16.075 -10.332  11.495
   66    H    ALA  11           HN       ALA  11  -9.340 -10.744   6.549
   67    HA   ALA  11           HA       ALA  11  -9.115 -10.529   4.198
   68   1HB   ALA  11           HB1      ALA  11 -11.518  -9.497   4.321
   69   2HB   ALA  11           HB3      ALA  11 -10.672  -7.951   4.251
   70   3HB   ALA  11           HB2      ALA  11 -10.499  -9.111   2.934
   71    H    ILE  12           HN       ILE  12  -9.291  -7.307   5.732
   72    HA   ILE  12           HA       ILE  12  -6.630  -6.667   4.602
   73    HB   ILE  12           HB       ILE  12  -8.784  -5.006   5.924
   74   1HG1  ILE  12          HG12      ILE  12  -7.847  -3.922   3.482
   75   2HG1  ILE  12          HG11      ILE  12  -8.023  -5.656   3.215
   76   1HG2  ILE  12          HG22      ILE  12  -6.555  -4.267   6.723
   77   2HG2  ILE  12          HG21      ILE  12  -6.016  -4.123   5.050
   78   3HG2  ILE  12          HG23      ILE  12  -7.293  -3.070   5.659
   79   1HD1  ILE  12          HD13      ILE  12 -10.220  -4.269   4.682
   80   2HD1  ILE  12          HD12      ILE  12 -10.090  -3.975   2.948
   81   3HD1  ILE  12          HD11      ILE  12 -10.302  -5.618   3.550
   82    HA   PRO  13           HA       PRO  13  -5.535  -7.898   8.827
   83   1HB   PRO  13           HB2      PRO  13  -2.910  -8.505   8.308
   84   2HB   PRO  13           HB1      PRO  13  -4.261  -9.618   8.057
   85   1HG   PRO  13           HG2      PRO  13  -2.638  -8.175   6.041
   86   2HG   PRO  13           HG1      PRO  13  -3.644  -9.618   5.838
   87   1HD   PRO  13           HD2      PRO  13  -4.285  -6.926   5.109
   88   2HD   PRO  13           HD1      PRO  13  -5.352  -8.347   4.995
   89    H    HIS  14           HN       HIS  14  -3.875  -7.176  10.403
   90    HA   HIS  14           HA       HIS  14  -3.566  -4.331  10.367
   91   1HB   HIS  14           HB2      HIS  14  -2.220  -6.410  12.135
   92   2HB   HIS  14           HB1      HIS  14  -2.455  -4.713  12.509
   93    HD1  HIS  14           HD1      HIS  14  -4.629  -4.055  13.604
   94    HD2  HIS  14           HD2      HIS  14  -4.784  -7.865  11.923
   95    HE1  HIS  14           HE1      HIS  14  -6.861  -5.054  14.290
   96    H    ASN  15           HN       ASN  15  -1.540  -3.113  10.125
   97    HA   ASN  15           HA       ASN  15   0.569  -2.690   9.196
   98   1HB   ASN  15           HB2      ASN  15   0.841  -4.965  10.833
   99   2HB   ASN  15           HB1      ASN  15   1.660  -5.372   9.325
  100   1HD2  ASN  15          HD22      ASN  15   3.473  -2.882  11.874
  101   2HD2  ASN  15          HD21      ASN  15   2.137  -3.845  12.290
  102    HA   PRO  16           HA       PRO  16  -0.809  -4.907   5.333
  103   1HB   PRO  16           HB2      PRO  16  -1.922  -2.721   4.102
  104   2HB   PRO  16           HB1      PRO  16  -2.831  -3.817   5.158
  105   1HG   PRO  16           HG2      PRO  16  -1.854  -1.055   5.715
  106   2HG   PRO  16           HG1      PRO  16  -3.226  -1.923   6.423
  107   1HD   PRO  16           HD2      PRO  16  -0.689  -1.540   7.632
  108   2HD   PRO  16           HD1      PRO  16  -1.963  -2.645   8.185
  109    H    LEU  17           HN       LEU  17   0.045  -4.531   3.151
  110    HA   LEU  17           HA       LEU  17   1.918  -4.072   1.797
  111   1HB   LEU  17           HB2      LEU  17   0.707  -1.451   2.612
  112   2HB   LEU  17           HB1      LEU  17   2.163  -1.457   1.619
  113    HG   LEU  17           HG       LEU  17   1.096  -2.582  -0.159
  114   1HD1  LEU  17          HD12      LEU  17  -0.941  -3.372   1.926
  115   2HD1  LEU  17          HD11      LEU  17  -1.293  -3.499   0.203
  116   3HD1  LEU  17          HD13      LEU  17   0.039  -4.420   0.902
  117   1HD2  LEU  17          HD21      LEU  17  -0.640  -0.550   1.201
  118   2HD2  LEU  17          HD23      LEU  17   0.216  -0.437  -0.338
  119   3HD2  LEU  17          HD22      LEU  17  -1.268  -1.383  -0.221
  120    H    ASP  18           HN       ASP  18   2.856  -4.827   4.324
  121    HA   ASP  18           HA       ASP  18   4.726  -2.823   5.324
  122   1HB   ASP  18           HB2      ASP  18   5.464  -4.502   6.864
  123   2HB   ASP  18           HB1      ASP  18   3.722  -4.728   6.697
  124    H    SER  19           HN       SER  19   4.920  -5.690   3.265
  125    HA   SER  19           HA       SER  19   7.767  -5.647   2.905
  126   1HB   SER  19           HB2      SER  19   5.891  -7.411   2.167
  127   2HB   SER  19           HB1      SER  19   5.979  -6.503   0.660
  128    HG   SER  19           HG       SER  19   7.695  -7.652   0.295
  129    H    CYS  20           HN       CYS  20   5.126  -3.807   1.616
  130    HA   CYS  20           HA       CYS  20   6.541  -2.724  -0.663
  131   1HB   CYS  20           HB2      CYS  20   4.190  -1.553   0.850
  132   2HB   CYS  20           HB1      CYS  20   4.694  -1.147  -0.793
  133    H    ARG  21           HN       ARG  21   6.006  -1.738   2.697
  134    HA   ARG  21           HA       ARG  21   7.187   0.835   2.543
  135   1HB   ARG  21           HB2      ARG  21   6.759   0.884   4.764
  136   2HB   ARG  21           HB1      ARG  21   6.041  -0.707   4.542
  137   1HG   ARG  21           HG2      ARG  21   8.080  -1.806   5.202
  138   2HG   ARG  21           HG1      ARG  21   8.980  -0.289   5.160
  139   1HD   ARG  21           HD2      ARG  21   6.865   0.266   6.870
  140   2HD   ARG  21           HD1      ARG  21   7.308  -1.389   7.287
  141    HE   ARG  21           HE       ARG  21   9.360   0.786   7.200
  142   1HH1  ARG  21          HH21      ARG  21   8.659  -2.368   8.121
  143   2HH1  ARG  21          HH22      ARG  21   9.334  -2.240   9.710
  144   1HH2  ARG  21          HH11      ARG  21   9.859   1.180   9.504
  145   2HH2  ARG  21          HH12      ARG  21  10.015  -0.234  10.492
  146    H    TRP  22           HN       TRP  22   8.670  -2.287   3.499
  147    HA   TRP  22           HA       TRP  22  11.317  -1.168   3.606
  148   1HB   TRP  22           HB2      TRP  22  10.330  -3.999   3.578
  149   2HB   TRP  22           HB1      TRP  22  12.041  -3.643   3.393
  150    HD1  TRP  22           HD1      TRP  22   9.760  -4.349   6.042
  151    HE1  TRP  22           HE1      TRP  22  10.559  -3.318   8.285
  152    HE3  TRP  22           HE3      TRP  22  13.208  -1.209   4.245
  153    HZ2  TRP  22           HZ2      TRP  22  12.486  -1.333   9.155
  154    HZ3  TRP  22           HZ3      TRP  22  14.550   0.274   5.743
  155    HH2  TRP  22           HH2      TRP  22  14.187   0.205   8.201
  156    H    TYR  23           HN       TYR  23   9.425  -2.541   0.995
  157    HA   TYR  23           HA       TYR  23  11.609  -2.977  -0.811
  158   1HB   TYR  23           HB2      TYR  23   9.385  -3.908  -1.261
  159   2HB   TYR  23           HB1      TYR  23   8.718  -2.281  -1.424
  160    HD1  TYR  23           HD2      TYR  23  12.113  -3.077  -2.597
  161    HD2  TYR  23           HD1      TYR  23   7.993  -2.674  -3.744
  162    HE1  TYR  23           HE2      TYR  23  12.781  -3.043  -4.982
  163    HE2  TYR  23           HE1      TYR  23   8.662  -2.644  -6.130
  164    HH   TYR  23           HH       TYR  23  11.742  -3.553  -7.189
  165    H    VAL  24           HN       VAL  24   9.802  -0.111   0.155
  166    HA   VAL  24           HA       VAL  24  10.905   1.560  -1.971
  167    HB   VAL  24           HB       VAL  24   9.689   2.327   0.691
  168   1HG1  VAL  24          HG11      VAL  24  11.144   3.842  -1.322
  169   2HG1  VAL  24          HG13      VAL  24   9.509   4.465  -1.093
  170   3HG1  VAL  24          HG12      VAL  24  10.607   4.342   0.283
  171   1HG2  VAL  24          HG21      VAL  24   8.576   1.504  -1.854
  172   2HG2  VAL  24          HG23      VAL  24   7.734   1.874  -0.349
  173   3HG2  VAL  24          HG22      VAL  24   8.108   3.165  -1.488
  174    H    SER  25           HN       SER  25  11.615   0.974   1.464
  175    HA   SER  25           HA       SER  25  13.707   2.804   1.800
  176   1HB   SER  25           HB2      SER  25  14.236   0.160   2.982
  177   2HB   SER  25           HB1      SER  25  14.087   1.732   3.762
  178    HG   SER  25           HG       SER  25  12.198   1.005   4.336
  179    H    THR  26           HN       THR  26  13.815  -0.463   0.389
  180    HA   THR  26           HA       THR  26  16.691  -0.382  -0.044
  181    HB   THR  26           HB       THR  26  14.468  -2.257  -0.823
  182    HG1  THR  26           HG1      THR  26  16.634  -3.322   0.330
  183   1HG2  THR  26          HG21      THR  26  17.296  -2.206  -1.877
  184   2HG2  THR  26          HG23      THR  26  16.402  -3.719  -1.733
  185   3HG2  THR  26          HG22      THR  26  15.794  -2.431  -2.773
  186    H    ARG  27           HN       ARG  27  13.956  -0.389  -2.382
  187    HA   ARG  27           HA       ARG  27  15.540   0.062  -4.679
  188   1HB   ARG  27           HB2      ARG  27  13.056  -0.526  -4.588
  189   2HB   ARG  27           HB1      ARG  27  12.760   1.192  -4.325
  190   1HG   ARG  27           HG2      ARG  27  12.610   0.549  -6.732
  191   2HG   ARG  27           HG1      ARG  27  13.866   1.748  -6.424
  192   1HD   ARG  27           HD2      ARG  27  15.594   0.220  -6.739
  193   2HD   ARG  27           HD1      ARG  27  14.578  -1.165  -6.336
  194    HE   ARG  27           HE       ARG  27  13.507  -0.891  -8.573
  195   1HH1  ARG  27          HH21      ARG  27  14.231   1.762  -9.449
  196   2HH1  ARG  27          HH22      ARG  27  15.643   1.520 -10.421
  197   1HH2  ARG  27          HH11      ARG  27  16.297  -1.644  -9.166
  198   2HH2  ARG  27          HH12      ARG  27  16.811  -0.405 -10.261
  199    H    THR  28           HN       THR  28  14.558   2.320  -2.207
  200    HA   THR  28           HA       THR  28  15.327   4.611  -3.920
  201    HB   THR  28           HB       THR  28  14.421   5.991  -2.078
  202    HG1  THR  28           HG1      THR  28  13.402   4.817  -0.358
  203   1HG2  THR  28          HG21      THR  28  12.971   4.870  -3.880
  204   2HG2  THR  28          HG23      THR  28  12.501   3.731  -2.618
  205   3HG2  THR  28          HG22      THR  28  12.142   5.448  -2.434
  206    H    CYS  29           HN       CYS  29  16.069   3.688  -0.528
  207    HA   CYS  29           HA       CYS  29  18.668   5.087  -0.812
  208   1HB   CYS  29           HB2      CYS  29  17.135   4.087   1.601
  209   2HB   CYS  29           HB1      CYS  29  18.746   4.801   1.695
  210    H    GLY  30           HN       GLY  30  17.871   2.242  -1.745
  211   1HA   GLY  30           HA2      GLY  30  18.894   0.116  -1.808
  212   2HA   GLY  30           HA1      GLY  30  20.382   0.997  -1.455
  213    H    VAL  31           HN       VAL  31  17.837   1.312   0.852
  214    HA   VAL  31           HA       VAL  31  19.363  -0.458   2.711
  215    HB   VAL  31           HB       VAL  31  17.523   1.897   3.239
  216   1HG1  VAL  31          HG12      VAL  31  18.003  -0.340   4.902
  217   2HG1  VAL  31          HG11      VAL  31  18.999   0.964   5.539
  218   3HG1  VAL  31          HG13      VAL  31  17.261   1.190   5.361
  219   1HG2  VAL  31          HG23      VAL  31  20.401   1.528   2.928
  220   2HG2  VAL  31          HG22      VAL  31  19.469   3.023   2.990
  221   3HG2  VAL  31          HG21      VAL  31  19.995   2.249   4.485
  222    H    GLY  32           HN       GLY  32  18.157  -1.971   3.998
  223   1HA   GLY  32           HA2      GLY  32  15.615  -2.478   4.505
  224   2HA   GLY  32           HA1      GLY  32  15.592  -2.705   2.751
  225    HA   PRO  33           HA       PRO  33  17.139  -6.625   4.948
  226   1HB   PRO  33           HB2      PRO  33  15.153  -8.342   4.067
  227   2HB   PRO  33           HB1      PRO  33  15.133  -7.517   5.637
  228   1HG   PRO  33           HG2      PRO  33  13.631  -6.848   3.129
  229   2HG   PRO  33           HG1      PRO  33  13.131  -6.668   4.821
  230   1HD   PRO  33           HD2      PRO  33  13.986  -4.571   3.269
  231   2HD   PRO  33           HD1      PRO  33  14.129  -4.610   5.042
  232    H    ARG  34           HN       ARG  34  17.719  -8.734   3.647
  233    HA   ARG  34           HA       ARG  34  18.551  -7.834   0.959
  234   1HB   ARG  34           HB2      ARG  34  19.915  -9.948   1.002
  235   2HB   ARG  34           HB1      ARG  34  20.276  -8.839   2.326
  236   1HG   ARG  34           HG2      ARG  34  18.102 -10.705   2.955
  237   2HG   ARG  34           HG1      ARG  34  19.634 -11.514   2.619
  238   1HD   ARG  34           HD2      ARG  34  19.929  -9.129   4.302
  239   2HD   ARG  34           HD1      ARG  34  18.934 -10.383   5.039
  240    HE   ARG  34           HE       ARG  34  20.987 -11.903   4.334
  241   1HH1  ARG  34          HH11      ARG  34  20.705  -9.465   6.567
  242   2HH1  ARG  34          HH12      ARG  34  22.403  -9.203   6.786
  243   1HH2  ARG  34          HH21      ARG  34  23.326 -11.215   4.116
  244   2HH2  ARG  34          HH22      ARG  34  23.888 -10.195   5.397
  245    H    LEU  35           HN       LEU  35  16.062  -8.036   0.517
  246    HA   LEU  35           HA       LEU  35  15.428 -10.822  -0.350
  247   1HB   LEU  35           HB2      LEU  35  13.810  -9.509   1.159
  248   2HB   LEU  35           HB1      LEU  35  13.510  -8.482  -0.244
  249    HG   LEU  35           HG       LEU  35  13.271 -11.488  -0.404
  250   1HD1  LEU  35          HD12      LEU  35  11.631  -9.737   1.133
  251   2HD1  LEU  35          HD11      LEU  35  10.716 -10.188  -0.304
  252   3HD1  LEU  35          HD13      LEU  35  11.349 -11.439   0.765
  253   1HD2  LEU  35          HD23      LEU  35  12.376  -9.116  -2.048
  254   2HD2  LEU  35          HD22      LEU  35  13.350 -10.495  -2.555
  255   3HD2  LEU  35          HD21      LEU  35  11.627 -10.702  -2.239
  256    H    ALA  36           HN       ALA  36  15.771 -11.181  -2.498
  257    HA   ALA  36           HA       ALA  36  16.731  -9.431  -4.371
  258   1HB   ALA  36           HB1      ALA  36  14.917 -11.810  -4.670
  259   2HB   ALA  36           HB3      ALA  36  15.413 -10.889  -6.091
  260   3HB   ALA  36           HB2      ALA  36  16.627 -11.662  -5.072
  261    H    THR  37           HN       THR  37  15.885  -7.699  -5.610
  262    HA   THR  37           HA       THR  37  13.589  -6.322  -4.818
  263    HB   THR  37           HB       THR  37  14.370  -6.176  -7.694
  264    HG1  THR  37           HG1      THR  37  16.385  -6.232  -7.090
  265   1HG2  THR  37          HG23      THR  37  12.913  -4.609  -5.978
  266   2HG2  THR  37          HG22      THR  37  14.496  -3.830  -5.924
  267   3HG2  THR  37          HG21      THR  37  13.664  -4.034  -7.466
  268    H    GLN  38           HN       GLN  38  13.817  -8.414  -7.740
  269    HA   GLN  38           HA       GLN  38  11.149  -8.152  -8.552
  270   1HB   GLN  38           HB2      GLN  38  12.857  -9.380  -9.857
  271   2HB   GLN  38           HB1      GLN  38  12.833 -10.675  -8.659
  272   1HG   GLN  38           HG2      GLN  38  10.135 -10.201  -9.383
  273   2HG   GLN  38           HG1      GLN  38  11.055 -10.256 -10.886
  274   1HE2  GLN  38          HE22      GLN  38  11.720 -13.722 -10.663
  275   2HE2  GLN  38          HE21      GLN  38  11.984 -12.282 -11.521
  276    H    GLU  39           HN       GLU  39  12.464 -10.410  -6.150
  277    HA   GLU  39           HA       GLU  39   9.971 -11.737  -5.636
  278   1HB   GLU  39           HB2      GLU  39  12.442 -11.406  -3.910
  279   2HB   GLU  39           HB1      GLU  39  11.100 -12.485  -3.528
  280   1HG   GLU  39           HG2      GLU  39  12.314 -12.704  -6.246
  281   2HG   GLU  39           HG1      GLU  39  13.244 -13.335  -4.888
  282    H    MET  40           HN       MET  40  11.407  -8.755  -4.445
  283    HA   MET  40           HA       MET  40   9.654  -8.430  -2.172
  284   1HB   MET  40           HB2      MET  40  11.864  -7.157  -2.836
  285   2HB   MET  40           HB1      MET  40  10.768  -6.111  -3.728
  286   1HG   MET  40           HG2      MET  40  10.956  -5.102  -1.584
  287   2HG   MET  40           HG1      MET  40   9.405  -5.942  -1.561
  288   1HE   MET  40           HE2      MET  40   9.405  -5.709   0.953
  289   2HE   MET  40           HE1      MET  40  10.578  -6.392   2.072
  290   3HE   MET  40           HE3      MET  40  11.016  -5.005   1.066
  291    H    LYS  41           HN       LYS  41   9.702  -6.773  -5.331
  292    HA   LYS  41           HA       LYS  41   7.195  -5.523  -5.172
  293   1HB   LYS  41           HB2      LYS  41   8.582  -4.994  -7.041
  294   2HB   LYS  41           HB1      LYS  41   8.689  -6.685  -7.533
  295   1HG   LYS  41           HG2      LYS  41   5.927  -5.701  -7.372
  296   2HG   LYS  41           HG1      LYS  41   6.906  -4.841  -8.562
  297   1HD   LYS  41           HD2      LYS  41   6.690  -7.860  -8.383
  298   2HD   LYS  41           HD1      LYS  41   5.776  -6.859  -9.512
  299   1HE   LYS  41           HE2      LYS  41   7.620  -6.389 -10.806
  300   2HE   LYS  41           HE1      LYS  41   8.730  -6.467  -9.437
  301   1HZ   LYS  41           HZ1      LYS  41   7.418  -8.960 -10.086
  302   2HZ   LYS  41           HZ3      LYS  41   8.471  -8.387 -11.286
  303   3HZ   LYS  41           HZ2      LYS  41   9.047  -8.650  -9.710
  304    H    ALA  42           HN       ALA  42   7.977  -8.854  -6.099
  305    HA   ALA  42           HA       ALA  42   5.355  -9.635  -6.908
  306   1HB   ALA  42           HB2      ALA  42   7.877 -10.962  -6.224
  307   2HB   ALA  42           HB1      ALA  42   6.458 -11.907  -5.768
  308   3HB   ALA  42           HB3      ALA  42   6.676 -11.395  -7.442
  309    H    ARG  43           HN       ARG  43   6.961  -9.640  -3.738
  310    HA   ARG  43           HA       ARG  43   4.887 -10.926  -2.274
  311   1HB   ARG  43           HB2      ARG  43   7.101  -9.027  -1.579
  312   2HB   ARG  43           HB1      ARG  43   5.859  -9.362  -0.372
  313   1HG   ARG  43           HG2      ARG  43   6.490 -11.562  -0.128
  314   2HG   ARG  43           HG1      ARG  43   7.025 -11.703  -1.804
  315   1HD   ARG  43           HD2      ARG  43   9.076 -10.607  -1.359
  316   2HD   ARG  43           HD1      ARG  43   8.500  -9.973   0.182
  317    HE   ARG  43           HE       ARG  43   9.268 -11.971   1.146
  318   1HH1  ARG  43          HH21      ARG  43   7.278 -13.795   0.065
  319   2HH1  ARG  43          HH22      ARG  43   8.202 -14.877  -0.923
  320   1HH2  ARG  43          HH11      ARG  43  10.965 -12.791  -1.091
  321   2HH2  ARG  43          HH12      ARG  43  10.288 -14.309  -1.577
  322    H    CYS  44           HN       CYS  44   5.466  -7.458  -2.916
  323    HA   CYS  44           HA       CYS  44   3.195  -6.491  -1.491
  324   1HB   CYS  44           HB2      CYS  44   4.805  -5.395  -3.778
  325   2HB   CYS  44           HB1      CYS  44   3.335  -4.576  -3.238
  326    H    CYS  45           HN       CYS  45   3.497  -7.678  -4.861
  327    HA   CYS  45           HA       CYS  45   0.812  -6.866  -5.588
  328   1HB   CYS  45           HB2      CYS  45   2.691  -8.916  -6.801
  329   2HB   CYS  45           HB1      CYS  45   1.128  -8.496  -7.490
  330    H    ARG  46           HN       ARG  46   2.188  -9.671  -4.010
  331    HA   ARG  46           HA       ARG  46  -0.176 -11.331  -4.340
  332   1HB   ARG  46           HB2      ARG  46   2.284 -11.992  -3.711
  333   2HB   ARG  46           HB1      ARG  46   1.770 -11.649  -2.069
  334   1HG   ARG  46           HG2      ARG  46   1.452 -14.045  -2.669
  335   2HG   ARG  46           HG1      ARG  46  -0.063 -13.242  -2.253
  336   1HD   ARG  46           HD2      ARG  46  -0.048 -14.711  -4.378
  337   2HD   ARG  46           HD1      ARG  46  -0.742 -13.097  -4.515
  338    HE   ARG  46           HE       ARG  46   2.084 -13.642  -5.329
  339   1HH1  ARG  46          HH21      ARG  46  -0.985 -13.463  -6.620
  340   2HH1  ARG  46          HH22      ARG  46  -0.634 -12.213  -7.766
  341   1HH2  ARG  46          HH11      ARG  46   2.513 -11.546  -6.475
  342   2HH2  ARG  46          HH12      ARG  46   1.345 -11.127  -7.684
  343    H    GLN  47           HN       GLN  47   0.972  -8.955  -2.030
  344    HA   GLN  47           HA       GLN  47  -1.082  -9.555  -0.043
  345   1HB   GLN  47           HB2      GLN  47   0.413  -6.942  -0.253
  346   2HB   GLN  47           HB1      GLN  47  -0.188  -7.753   1.194
  347   1HG   GLN  47           HG2      GLN  47   1.617  -9.505  -0.221
  348   2HG   GLN  47           HG1      GLN  47   2.401  -7.953   0.075
  349   1HE2  GLN  47          HE22      GLN  47   2.337  -8.313   3.642
  350   2HE2  GLN  47          HE21      GLN  47   2.368  -7.168   2.389
  351    H    LEU  48           HN       LEU  48  -0.690  -7.234  -2.688
  352    HA   LEU  48           HA       LEU  48  -3.083  -5.737  -2.066
  353   1HB   LEU  48           HB2      LEU  48  -1.149  -4.953  -3.537
  354   2HB   LEU  48           HB1      LEU  48  -1.795  -6.010  -4.794
  355    HG   LEU  48           HG       LEU  48  -3.783  -4.244  -3.499
  356   1HD1  LEU  48          HD11      LEU  48  -1.319  -3.107  -4.196
  357   2HD1  LEU  48          HD13      LEU  48  -2.371  -2.770  -5.572
  358   3HD1  LEU  48          HD12      LEU  48  -2.839  -2.246  -3.954
  359   1HD2  LEU  48          HD22      LEU  48  -3.503  -5.776  -5.846
  360   2HD2  LEU  48          HD21      LEU  48  -4.852  -4.719  -5.431
  361   3HD2  LEU  48          HD23      LEU  48  -3.506  -4.096  -6.384
  362    H    GLU  49           HN       GLU  49  -2.340  -8.549  -4.085
  363    HA   GLU  49           HA       GLU  49  -4.946  -8.704  -5.314
  364   1HB   GLU  49           HB2      GLU  49  -2.908  -9.914  -6.158
  365   2HB   GLU  49           HB1      GLU  49  -3.007 -10.976  -4.753
  366   1HG   GLU  49           HG2      GLU  49  -4.167 -12.181  -6.409
  367   2HG   GLU  49           HG1      GLU  49  -5.462 -11.381  -5.516
  368    H    ALA  50           HN       ALA  50  -3.485 -10.433  -2.513
  369    HA   ALA  50           HA       ALA  50  -5.733 -11.904  -1.692
  370   1HB   ALA  50           HB3      ALA  50  -3.326 -10.850  -0.414
  371   2HB   ALA  50           HB2      ALA  50  -4.701 -10.840   0.689
  372   3HB   ALA  50           HB1      ALA  50  -4.196 -12.346  -0.077
  373    H    ILE  51           HN       ILE  51  -4.847  -8.562  -0.931
  374    HA   ILE  51           HA       ILE  51  -7.266  -7.829   0.417
  375    HB   ILE  51           HB       ILE  51  -5.318  -6.148  -1.198
  376   1HG1  ILE  51          HG12      ILE  51  -4.379  -7.381   0.781
  377   2HG1  ILE  51          HG11      ILE  51  -4.311  -5.627   0.955
  378   1HG2  ILE  51          HG23      ILE  51  -7.682  -5.215  -0.752
  379   2HG2  ILE  51          HG22      ILE  51  -7.207  -5.172   0.945
  380   3HG2  ILE  51          HG21      ILE  51  -6.314  -4.222  -0.243
  381   1HD1  ILE  51          HD12      ILE  51  -6.549  -7.340   2.068
  382   2HD1  ILE  51          HD11      ILE  51  -5.148  -6.826   3.007
  383   3HD1  ILE  51          HD13      ILE  51  -6.272  -5.625   2.370
  384    HA   PRO  52           HA       PRO  52  -9.542  -8.402  -3.417
  385   1HB   PRO  52           HB2      PRO  52 -12.027  -7.998  -2.274
  386   2HB   PRO  52           HB1      PRO  52 -11.168  -9.549  -2.289
  387   1HG   PRO  52           HG2      PRO  52 -11.457  -7.575  -0.049
  388   2HG   PRO  52           HG1      PRO  52 -11.339  -9.344   0.019
  389   1HD   PRO  52           HD2      PRO  52  -9.228  -7.635   0.592
  390   2HD   PRO  52           HD1      PRO  52  -9.026  -9.313   0.047
  391    H    ALA  53           HN       ALA  53 -10.281  -6.936  -4.909
  392    HA   ALA  53           HA       ALA  53  -9.653  -4.292  -4.929
  393   1HB   ALA  53           HB1      ALA  53 -11.370  -5.959  -6.451
  394   2HB   ALA  53           HB3      ALA  53 -12.253  -4.466  -6.129
  395   3HB   ALA  53           HB2      ALA  53 -10.677  -4.406  -6.920
  396    H    TYR  54           HN       TYR  54 -12.367  -5.685  -3.189
  397    HA   TYR  54           HA       TYR  54 -13.751  -3.226  -2.649
  398   1HB   TYR  54           HB2      TYR  54 -14.158  -5.911  -2.065
  399   2HB   TYR  54           HB1      TYR  54 -13.828  -5.203  -0.484
  400    HD1  TYR  54           HD1      TYR  54 -15.755  -4.393  -3.607
  401    HD2  TYR  54           HD2      TYR  54 -15.627  -4.308   0.687
  402    HE1  TYR  54           HE1      TYR  54 -18.045  -3.443  -3.556
  403    HE2  TYR  54           HE2      TYR  54 -17.916  -3.356   0.736
  404    HH   TYR  54           HH       TYR  54 -19.764  -2.860  -2.267
  405    H    CYS  55           HN       CYS  55 -12.932  -1.537  -1.498
  406    HA   CYS  55           HA       CYS  55 -11.746  -0.342   0.139
  407   1HB   CYS  55           HB2      CYS  55 -11.809  -3.084   1.420
  408   2HB   CYS  55           HB1      CYS  55 -11.049  -1.695   2.193
  409    H    ARG  56           HN       ARG  56 -10.375  -2.364  -2.015
  410    HA   ARG  56           HA       ARG  56  -7.849  -3.148  -1.220
  411   1HB   ARG  56           HB2      ARG  56  -9.027  -2.197  -3.722
  412   2HB   ARG  56           HB1      ARG  56  -7.314  -1.805  -3.608
  413   1HG   ARG  56           HG2      ARG  56  -6.915  -4.227  -2.944
  414   2HG   ARG  56           HG1      ARG  56  -8.593  -4.542  -3.392
  415   1HD   ARG  56           HD2      ARG  56  -8.041  -3.472  -5.650
  416   2HD   ARG  56           HD1      ARG  56  -6.348  -3.571  -5.172
  417    HE   ARG  56           HE       ARG  56  -7.128  -6.144  -4.807
  418   1HH1  ARG  56          HH11      ARG  56  -9.347  -6.408  -6.444
  419   2HH1  ARG  56          HH12      ARG  56  -8.754  -6.498  -8.069
  420   1HH2  ARG  56          HH21      ARG  56  -5.642  -5.181  -7.290
  421   2HH2  ARG  56          HH22      ARG  56  -6.658  -5.804  -8.548
  422    H    CYS  57           HN       CYS  57  -7.796  -0.116  -3.030
  423    HA   CYS  57           HA       CYS  57  -5.585   1.102  -2.169
  424   1HB   CYS  57           HB2      CYS  57  -8.313   2.298  -2.521
  425   2HB   CYS  57           HB1      CYS  57  -6.949   3.319  -2.063
  426    H    GLU  58           HN       GLU  58  -8.533   1.335  -0.060
  427    HA   GLU  58           HA       GLU  58  -7.767   2.899   1.983
  428   1HB   GLU  58           HB2      GLU  58  -9.220   0.339   1.907
  429   2HB   GLU  58           HB1      GLU  58  -8.577   0.769   3.491
  430   1HG   GLU  58           HG2      GLU  58  -9.775   3.060   2.139
  431   2HG   GLU  58           HG1      GLU  58 -10.930   1.745   2.358
  432    H    ALA  59           HN       ALA  59  -6.545  -0.480   1.777
  433    HA   ALA  59           HA       ALA  59  -4.957  -0.719   3.972
  434   1HB   ALA  59           HB3      ALA  59  -4.880  -1.769   1.315
  435   2HB   ALA  59           HB2      ALA  59  -3.230  -1.405   1.821
  436   3HB   ALA  59           HB1      ALA  59  -4.233  -2.485   2.791
  437    H    VAL  60           HN       VAL  60  -3.810   0.937   1.045
  438    HA   VAL  60           HA       VAL  60  -1.366   1.894   2.046
  439    HB   VAL  60           HB       VAL  60  -3.163   3.516   0.233
  440   1HG1  VAL  60          HG12      VAL  60  -0.263   3.382   0.897
  441   2HG1  VAL  60          HG11      VAL  60  -0.680   3.689  -0.789
  442   3HG1  VAL  60          HG13      VAL  60  -1.256   4.778   0.475
  443   1HG2  VAL  60          HG23      VAL  60  -2.246   0.816  -0.132
  444   2HG2  VAL  60          HG22      VAL  60  -3.160   1.824  -1.253
  445   3HG2  VAL  60          HG21      VAL  60  -1.397   1.865  -1.267
  446    H    ARG  61           HN       ARG  61  -4.556   3.519   2.118
  447    HA   ARG  61           HA       ARG  61  -3.768   5.851   3.507
  448   1HB   ARG  61           HB2      ARG  61  -6.059   5.317   2.495
  449   2HB   ARG  61           HB1      ARG  61  -6.393   4.423   3.979
  450   1HG   ARG  61           HG2      ARG  61  -6.488   6.326   5.272
  451   2HG   ARG  61           HG1      ARG  61  -5.326   7.194   4.270
  452   1HD   ARG  61           HD2      ARG  61  -7.204   8.298   3.563
  453   2HD   ARG  61           HD1      ARG  61  -7.336   6.910   2.483
  454    HE   ARG  61           HE       ARG  61  -8.818   5.924   4.379
  455   1HH1  ARG  61          HH21      ARG  61  -9.765   7.252   6.315
  456   2HH1  ARG  61          HH22      ARG  61 -10.730   8.588   5.780
  457   1HH2  ARG  61          HH11      ARG  61  -9.492   8.530   2.542
  458   2HH2  ARG  61          HH12      ARG  61 -10.575   9.310   3.645
  459    H    ILE  62           HN       ILE  62  -4.312   2.595   4.677
  460    HA   ILE  62           HA       ILE  62  -4.344   3.344   7.498
  461    HB   ILE  62           HB       ILE  62  -4.160   0.733   5.989
  462   1HG1  ILE  62          HG12      ILE  62  -6.154   1.600   8.084
  463   2HG1  ILE  62          HG11      ILE  62  -6.339   2.055   6.390
  464   1HG2  ILE  62          HG22      ILE  62  -3.614   1.283   8.889
  465   2HG2  ILE  62          HG21      ILE  62  -4.429  -0.215   8.435
  466   3HG2  ILE  62          HG23      ILE  62  -2.821   0.141   7.802
  467   1HD1  ILE  62          HD13      ILE  62  -5.892  -0.553   6.028
  468   2HD1  ILE  62          HD12      ILE  62  -6.546  -0.639   7.663
  469   3HD1  ILE  62          HD11      ILE  62  -7.509   0.065   6.366
  470    H    LEU  63           HN       LEU  63  -1.877   2.452   5.153
  471    HA   LEU  63           HA       LEU  63   0.120   1.957   7.211
  472   1HB   LEU  63           HB2      LEU  63   0.453   0.851   5.104
  473   2HB   LEU  63           HB1      LEU  63   0.328   2.373   4.219
  474    HG   LEU  63           HG       LEU  63   2.364   3.162   5.523
  475   1HD1  LEU  63          HD13      LEU  63   2.128   0.326   6.460
  476   2HD1  LEU  63          HD12      LEU  63   3.738   1.015   6.248
  477   3HD1  LEU  63          HD11      LEU  63   2.597   1.764   7.364
  478   1HD2  LEU  63          HD22      LEU  63   2.308   0.983   3.478
  479   2HD2  LEU  63          HD21      LEU  63   2.943   2.623   3.351
  480   3HD2  LEU  63          HD23      LEU  63   3.866   1.384   4.200
  481    H    MET  64           HN       MET  64  -0.614   4.679   5.018
  482    HA   MET  64           HA       MET  64   1.521   6.287   6.192
  483   1HB   MET  64           HB2      MET  64   0.566   6.532   3.816
  484   2HB   MET  64           HB1      MET  64  -0.802   7.357   4.567
  485   1HG   MET  64           HG2      MET  64   0.961   8.825   5.740
  486   2HG   MET  64           HG1      MET  64   2.099   8.182   4.554
  487   1HE   MET  64           HE3      MET  64  -0.997   9.836   5.420
  488   2HE   MET  64           HE2      MET  64  -1.377  11.001   4.154
  489   3HE   MET  64           HE1      MET  64  -1.896   9.327   3.984
  490    H    ASP  65           HN       ASP  65  -2.073   6.386   6.350
  491    HA   ASP  65           HA       ASP  65  -1.911   8.372   8.500
  492   1HB   ASP  65           HB2      ASP  65  -4.256   7.054   7.093
  493   2HB   ASP  65           HB1      ASP  65  -4.485   7.900   8.624
  494    H    GLY  66           HN       GLY  66  -1.969   4.927   8.326
  495   1HA   GLY  66           HA2      GLY  66  -1.554   3.485  10.169
  496   2HA   GLY  66           HA1      GLY  66  -1.863   4.836  11.261
  497    H    VAL  67           HN       VAL  67  -2.967   2.136  11.378
  498    HA   VAL  67           HA       VAL  67  -5.871   2.749  11.032
  499    HB   VAL  67           HB       VAL  67  -5.436   0.892   9.638
  500   1HG1  VAL  67          HG13      VAL  67  -3.126   0.496  10.511
  501   2HG1  VAL  67          HG12      VAL  67  -3.831  -0.338  11.896
  502   3HG1  VAL  67          HG11      VAL  67  -4.034  -0.997  10.273
  503   1HG2  VAL  67          HG21      VAL  67  -7.315   0.552  11.276
  504   2HG2  VAL  67          HG23      VAL  67  -6.606  -0.952  10.687
  505   3HG2  VAL  67          HG22      VAL  67  -6.195  -0.353  12.294
  506    H    VAL  68           HN       VAL  68  -7.281   1.811  12.731
  507    HA   VAL  68           HA       VAL  68  -5.840   1.696  15.345
  508    HB   VAL  68           HB       VAL  68  -8.529   2.829  14.576
  509   1HG1  VAL  68          HG13      VAL  68  -8.851   1.301  16.531
  510   2HG1  VAL  68          HG12      VAL  68  -7.595   2.188  17.394
  511   3HG1  VAL  68          HG11      VAL  68  -9.098   2.997  16.951
  512   1HG2  VAL  68          HG23      VAL  68  -5.938   3.776  15.679
  513   2HG2  VAL  68          HG22      VAL  68  -7.080   4.605  14.621
  514   3HG2  VAL  68          HG21      VAL  68  -7.386   4.521  16.357
  515    H    THR  69           HN       THR  69  -6.778   0.292  16.958
  516    HA   THR  69           HA       THR  69  -8.126  -2.074  15.758
  517    HB   THR  69           HB       THR  69  -6.910  -3.410  17.462
  518    HG1  THR  69           HG1      THR  69  -5.024  -1.863  18.224
  519   1HG2  THR  69          HG22      THR  69  -5.984  -2.512  15.100
  520   2HG2  THR  69          HG21      THR  69  -4.760  -1.820  16.165
  521   3HG2  THR  69          HG23      THR  69  -5.036  -3.562  16.155
  522    H    SER  70           HN       SER  70  -9.495  -3.283  17.211
  523    HA   SER  70           HA       SER  70 -11.341  -1.644  18.642
  524   1HB   SER  70           HB2      SER  70 -11.906  -3.823  17.561
  525   2HB   SER  70           HB1      SER  70 -10.972  -4.646  18.805
  526    HG   SER  70           HG       SER  70 -13.389  -4.285  19.063
  527    H    SER  71           HN       SER  71  -8.495  -3.347  19.585
  528    HA   SER  71           HA       SER  71  -9.028  -3.438  22.424
  529   1HB   SER  71           HB2      SER  71  -6.445  -3.647  22.495
  530   2HB   SER  71           HB1      SER  71  -7.349  -4.926  21.686
  531    HG   SER  71           HG       SER  71  -6.778  -4.099  19.742
  532    H    GLY  72           HN       GLY  72  -8.175  -0.926  20.263
  533   1HA   GLY  72           HA2      GLY  72  -8.217   1.411  20.995
  534   2HA   GLY  72           HA1      GLY  72  -7.681   0.864  22.589
  535    H    GLN  73           HN       GLN  73  -6.031  -0.800  20.130
  536    HA   GLN  73           HA       GLN  73  -3.635   0.915  20.618
  537   1HB   GLN  73           HB2      GLN  73  -3.983  -1.969  19.781
  538   2HB   GLN  73           HB1      GLN  73  -2.431  -1.141  19.663
  539   1HG   GLN  73           HG2      GLN  73  -2.936  -0.474  22.163
  540   2HG   GLN  73           HG1      GLN  73  -4.001  -1.879  22.110
  541   1HE2  GLN  73          HE22      GLN  73  -1.077  -3.697  23.022
  542   2HE2  GLN  73          HE21      GLN  73  -2.559  -3.079  23.574
  543    H    HIS  74           HN       HIS  74  -2.221   1.383  18.755
  544    HA   HIS  74           HA       HIS  74  -3.761   1.464  16.198
  545   1HB   HIS  74           HB2      HIS  74  -1.728   3.342  17.397
  546   2HB   HIS  74           HB1      HIS  74  -2.144   3.384  15.697
  547    HD1  HIS  74           HD1      HIS  74  -3.455   5.562  15.648
  548    HD2  HIS  74           HD2      HIS  74  -4.849   2.919  18.553
  549    HE1  HIS  74           HE1      HIS  74  -5.603   6.553  16.547
  550    H    GLU  75           HN       GLU  75  -2.475   1.143  14.253
  551    HA   GLU  75           HA       GLU  75   0.212  -0.041  14.676
  552   1HB   GLU  75           HB2      GLU  75  -1.968  -1.437  13.108
  553   2HB   GLU  75           HB1      GLU  75  -0.336  -2.034  13.407
  554   1HG   GLU  75           HG2      GLU  75  -1.013  -1.683  15.941
  555   2HG   GLU  75           HG1      GLU  75  -2.651  -1.817  15.299
  556    H    GLY  76           HN       GLY  76   0.913  -0.832  12.261
  557   1HA   GLY  76           HA2      GLY  76   1.618  -0.071  10.159
  558   2HA   GLY  76           HA1      GLY  76   0.042   0.714  10.029
  559    H    ARG  77           HN       ARG  77   0.649   2.732   9.296
  560    HA   ARG  77           HA       ARG  77   1.624   4.877   9.349
  561   1HB   ARG  77           HB2      ARG  77   0.484   4.351  11.819
  562   2HB   ARG  77           HB1      ARG  77   2.112   4.889  12.232
  563   1HG   ARG  77           HG2      ARG  77   0.948   6.516  10.117
  564   2HG   ARG  77           HG1      ARG  77  -0.047   6.530  11.574
  565   1HD   ARG  77           HD2      ARG  77   2.442   6.782  12.658
  566   2HD   ARG  77           HD1      ARG  77   2.659   7.637  11.131
  567    HE   ARG  77           HE       ARG  77   0.530   8.342  13.113
  568   1HH1  ARG  77          HH11      ARG  77  -0.126   9.686  10.716
  569   2HH1  ARG  77          HH12      ARG  77   0.851  11.116  10.707
  570   1HH2  ARG  77          HH21      ARG  77   3.078   9.930  13.087
  571   2HH2  ARG  77          HH22      ARG  77   2.666  11.255  12.050
  572    H    LEU  78           HN       LEU  78   3.449   2.552   9.055
  573    HA   LEU  78           HA       LEU  78   5.795   3.133  10.691
  574   1HB   LEU  78           HB2      LEU  78   5.469   1.373   8.236
  575   2HB   LEU  78           HB1      LEU  78   6.921   1.451   9.235
  576    HG   LEU  78           HG       LEU  78   4.567   1.049  10.880
  577   1HD1  LEU  78          HD13      LEU  78   4.443  -0.244   8.366
  578   2HD1  LEU  78          HD12      LEU  78   4.939  -1.475   9.527
  579   3HD1  LEU  78          HD11      LEU  78   3.448  -0.570   9.785
  580   1HD2  LEU  78          HD23      LEU  78   7.205  -0.306  10.347
  581   2HD2  LEU  78          HD22      LEU  78   6.650   0.494  11.817
  582   3HD2  LEU  78          HD21      LEU  78   6.002  -1.085  11.376
  583    H    LEU  79           HN       LEU  79   4.537   4.277   7.637
  584    HA   LEU  79           HA       LEU  79   6.803   5.049   6.225
  585   1HB   LEU  79           HB2      LEU  79   4.121   5.696   6.111
  586   2HB   LEU  79           HB1      LEU  79   4.863   7.244   6.515
  587    HG   LEU  79           HG       LEU  79   6.527   6.098   4.550
  588   1HD1  LEU  79          HD11      LEU  79   4.391   4.642   4.208
  589   2HD1  LEU  79          HD13      LEU  79   3.696   6.110   3.522
  590   3HD1  LEU  79          HD12      LEU  79   5.133   5.392   2.795
  591   1HD2  LEU  79          HD22      LEU  79   4.950   8.464   5.034
  592   2HD2  LEU  79          HD21      LEU  79   6.383   8.285   4.021
  593   3HD2  LEU  79          HD23      LEU  79   4.781   7.982   3.345
  594    H    GLN  80           HN       GLN  80   8.611   5.643   7.468
  595    HA   GLN  80           HA       GLN  80   8.396   8.300   8.774
  596   1HB   GLN  80           HB2      GLN  80   9.439   5.797  10.128
  597   2HB   GLN  80           HB1      GLN  80   9.714   7.428  10.738
  598   1HG   GLN  80           HG2      GLN  80   7.328   7.802  10.977
  599   2HG   GLN  80           HG1      GLN  80   6.969   6.256  10.206
  600   1HE2  GLN  80          HE22      GLN  80   8.497   6.212  14.033
  601   2HE2  GLN  80          HE21      GLN  80   8.857   7.524  13.018
  602    H    ASP  81           HN       ASP  81  10.680   8.980   9.506
  603    HA   ASP  81           HA       ASP  81  12.352   9.190   7.252
  604   1HB   ASP  81           HB2      ASP  81  13.178   9.437  10.167
  605   2HB   ASP  81           HB1      ASP  81  13.994  10.162   8.780
  606    H    LEU  82           HN       LEU  82  14.107   8.097   6.555
  607    HA   LEU  82           HA       LEU  82  15.075   5.714   8.046
  608   1HB   LEU  82           HB2      LEU  82  14.058   5.922   5.212
  609   2HB   LEU  82           HB1      LEU  82  15.277   4.721   5.605
  610    HG   LEU  82           HG       LEU  82  12.596   5.023   6.989
  611   1HD1  LEU  82          HD13      LEU  82  12.750   4.054   4.574
  612   2HD1  LEU  82          HD12      LEU  82  13.511   2.666   5.352
  613   3HD1  LEU  82          HD11      LEU  82  11.868   3.133   5.793
  614   1HD2  LEU  82          HD22      LEU  82  15.067   3.698   7.728
  615   2HD2  LEU  82          HD21      LEU  82  13.576   3.857   8.655
  616   3HD2  LEU  82          HD23      LEU  82  13.771   2.519   7.523
  617    HA   PRO  83           HA       PRO  83  19.028   7.297   7.061
  618   1HB   PRO  83           HB2      PRO  83  20.431   5.185   5.957
  619   2HB   PRO  83           HB1      PRO  83  20.113   5.383   7.690
  620   1HG   PRO  83           HG2      PRO  83  18.761   3.573   5.719
  621   2HG   PRO  83           HG1      PRO  83  19.062   3.325   7.449
  622   1HD   PRO  83           HD2      PRO  83  16.605   4.061   6.400
  623   2HD   PRO  83           HD1      PRO  83  17.102   4.386   8.071
  624    H    GLY  84           HN       GLY  84  18.616   8.822   5.499
  625   1HA   GLY  84           HA2      GLY  84  19.168   9.780   3.398
  626   2HA   GLY  84           HA1      GLY  84  19.435   8.164   2.736
  627    H    CYS  85           HN       CYS  85  16.554   7.805   4.293
  628    HA   CYS  85           HA       CYS  85  15.008   8.709   1.897
  629   1HB   CYS  85           HB2      CYS  85  14.882   6.180   3.502
  630   2HB   CYS  85           HB1      CYS  85  13.432   6.770   2.694
  631    HA   PRO  86           HA       PRO  86  13.205  10.841   5.557
  632   1HB   PRO  86           HB2      PRO  86  12.607  13.159   4.195
  633   2HB   PRO  86           HB1      PRO  86  14.151  12.852   4.990
  634   1HG   PRO  86           HG2      PRO  86  13.500  12.815   2.088
  635   2HG   PRO  86           HG1      PRO  86  15.051  13.134   2.881
  636   1HD   PRO  86           HD2      PRO  86  14.310  10.728   1.624
  637   2HD   PRO  86           HD1      PRO  86  15.690  10.937   2.723
  638    H    ARG  87           HN       ARG  87  10.957  11.604   5.916
  639    HA   ARG  87           HA       ARG  87   8.909  10.096   4.856
  640   1HB   ARG  87           HB2      ARG  87   8.761  13.033   5.605
  641   2HB   ARG  87           HB1      ARG  87   7.395  11.930   5.505
  642   1HG   ARG  87           HG2      ARG  87   9.199  10.597   7.142
  643   2HG   ARG  87           HG1      ARG  87   9.337  12.282   7.646
  644   1HD   ARG  87           HD2      ARG  87   6.675  10.881   7.313
  645   2HD   ARG  87           HD1      ARG  87   7.540  10.938   8.849
  646    HE   ARG  87           HE       ARG  87   6.327  13.271   7.466
  647   1HH1  ARG  87          HH21      ARG  87   8.538  12.171   9.842
  648   2HH1  ARG  87          HH22      ARG  87   8.123  13.392  10.998
  649   1HH2  ARG  87          HH11      ARG  87   5.576  14.734   9.066
  650   2HH2  ARG  87          HH12      ARG  87   6.448  14.842  10.559
  651    H    GLN  88           HN       GLN  88  10.533  12.842   3.463
  652    HA   GLN  88           HA       GLN  88   8.640  13.615   1.495
  653   1HB   GLN  88           HB2      GLN  88  10.686  14.902   1.998
  654   2HB   GLN  88           HB1      GLN  88  11.660  13.633   1.252
  655   1HG   GLN  88           HG2      GLN  88  10.798  14.067  -0.901
  656   2HG   GLN  88           HG1      GLN  88   9.417  14.960  -0.264
  657   1HE2  GLN  88          HE22      GLN  88  11.131  18.042  -0.181
  658   2HE2  GLN  88          HE21      GLN  88   9.671  17.212   0.067
  659    H    VAL  89           HN       VAL  89  11.475  11.455   0.915
  660    HA   VAL  89           HA       VAL  89  10.602  10.702  -1.691
  661    HB   VAL  89           HB       VAL  89  12.403   9.234   0.240
  662   1HG1  VAL  89          HG11      VAL  89  11.589   7.964  -1.793
  663   2HG1  VAL  89          HG13      VAL  89  12.354   9.203  -2.788
  664   3HG1  VAL  89          HG12      VAL  89  13.337   8.191  -1.729
  665   1HG2  VAL  89          HG23      VAL  89  12.747  11.591  -1.553
  666   2HG2  VAL  89          HG22      VAL  89  13.384  11.310   0.068
  667   3HG2  VAL  89          HG21      VAL  89  14.104  10.489  -1.317
  668    H    GLN  90           HN       GLN  90  10.170   9.179   1.488
  669    HA   GLN  90           HA       GLN  90   8.922   6.797   0.487
  670   1HB   GLN  90           HB2      GLN  90   9.543   7.884   3.034
  671   2HB   GLN  90           HB1      GLN  90   7.808   7.565   3.034
  672   1HG   GLN  90           HG2      GLN  90   8.478   5.451   3.587
  673   2HG   GLN  90           HG1      GLN  90   8.698   5.298   1.844
  674   1HE2  GLN  90          HE22      GLN  90  12.136   6.220   3.903
  675   2HE2  GLN  90          HE21      GLN  90  10.712   7.078   4.241
  676    H    ARG  91           HN       ARG  91   7.789  10.041   1.053
  677    HA   ARG  91           HA       ARG  91   4.959   9.342   0.871
  678   1HB   ARG  91           HB2      ARG  91   5.945  11.404   2.042
  679   2HB   ARG  91           HB1      ARG  91   6.143  12.087   0.428
  680   1HG   ARG  91           HG2      ARG  91   3.924  12.490   0.205
  681   2HG   ARG  91           HG1      ARG  91   3.486  10.922   0.883
  682   1HD   ARG  91           HD2      ARG  91   4.640  12.587   2.939
  683   2HD   ARG  91           HD1      ARG  91   3.309  13.438   2.155
  684    HE   ARG  91           HE       ARG  91   2.478  10.762   2.704
  685   1HH1  ARG  91          HH21      ARG  91   0.921  13.231   3.415
  686   2HH1  ARG  91          HH22      ARG  91   0.947  13.186   5.147
  687   1HH2  ARG  91          HH11      ARG  91   3.547  10.898   5.315
  688   2HH2  ARG  91          HH12      ARG  91   2.433  11.865   6.222
  689    H    ALA  92           HN       ALA  92   7.511  10.284  -1.359
  690    HA   ALA  92           HA       ALA  92   5.720  10.904  -3.555
  691   1HB   ALA  92           HB2      ALA  92   8.384  11.337  -3.077
  692   2HB   ALA  92           HB1      ALA  92   8.447  10.004  -4.230
  693   3HB   ALA  92           HB3      ALA  92   7.616  11.500  -4.658
  694    H    PHE  93           HN       PHE  93   7.868   8.088  -2.899
  695    HA   PHE  93           HA       PHE  93   6.650   6.585  -5.087
  696   1HB   PHE  93           HB2      PHE  93   8.976   6.159  -4.507
  697   2HB   PHE  93           HB1      PHE  93   8.514   5.722  -2.863
  698    HD1  PHE  93           HD1      PHE  93   6.505   4.856  -5.825
  699    HD2  PHE  93           HD2      PHE  93   9.356   3.432  -2.946
  700    HE1  PHE  93           HE1      PHE  93   6.091   2.528  -6.569
  701    HE2  PHE  93           HE2      PHE  93   8.941   1.103  -3.690
  702    HZ   PHE  93           HZ       PHE  93   7.310   0.651  -5.502
  703    H    ALA  94           HN       ALA  94   6.096   6.900  -1.651
  704    HA   ALA  94           HA       ALA  94   4.872   4.581  -0.881
  705   1HB   ALA  94           HB2      ALA  94   4.371   7.433  -0.281
  706   2HB   ALA  94           HB1      ALA  94   3.052   6.333   0.122
  707   3HB   ALA  94           HB3      ALA  94   4.655   6.082   0.816
  708    HA   PRO  95           HA       PRO  95   0.735   5.686  -3.014
  709   1HB   PRO  95           HB2      PRO  95   0.786   7.721  -4.870
  710   2HB   PRO  95           HB1      PRO  95   0.377   7.947  -3.161
  711   1HG   PRO  95           HG2      PRO  95   2.906   8.629  -4.596
  712   2HG   PRO  95           HG1      PRO  95   2.177   9.399  -3.175
  713   1HD   PRO  95           HD2      PRO  95   4.335   7.616  -3.108
  714   2HD   PRO  95           HD1      PRO  95   3.318   8.031  -1.717
  715    H    LYS  96           HN       LYS  96   0.120   6.017  -5.699
  716    HA   LYS  96           HA       LYS  96   0.341   4.958  -7.782
  717   1HB   LYS  96           HB2      LYS  96   3.275   4.920  -7.002
  718   2HB   LYS  96           HB1      LYS  96   2.648   4.536  -8.605
  719   1HG   LYS  96           HG2      LYS  96   1.692   7.099  -7.496
  720   2HG   LYS  96           HG1      LYS  96   3.424   7.041  -7.824
  721   1HD   LYS  96           HD2      LYS  96   2.639   5.948 -10.101
  722   2HD   LYS  96           HD1      LYS  96   1.125   6.775  -9.731
  723   1HE   LYS  96           HE2      LYS  96   3.751   8.245  -9.575
  724   2HE   LYS  96           HE1      LYS  96   2.919   8.054 -11.118
  725   1HZ   LYS  96           HZ2      LYS  96   1.593   9.125  -8.696
  726   2HZ   LYS  96           HZ1      LYS  96   2.367  10.118  -9.837
  727   3HZ   LYS  96           HZ3      LYS  96   1.034   9.177 -10.300
  728    H    LEU  97           HN       LEU  97  -0.124   3.518  -5.268
  729    HA   LEU  97           HA       LEU  97   1.314   1.003  -5.353
  730   1HB   LEU  97           HB2      LEU  97  -0.484   2.277  -3.594
  731   2HB   LEU  97           HB1      LEU  97  -1.259   0.765  -4.072
  732    HG   LEU  97           HG       LEU  97   0.237   0.522  -2.073
  733   1HD1  LEU  97          HD13      LEU  97  -0.236  -1.286  -3.877
  734   2HD1  LEU  97          HD12      LEU  97   1.415  -0.976  -4.412
  735   3HD1  LEU  97          HD11      LEU  97   1.114  -1.555  -2.774
  736   1HD2  LEU  97          HD21      LEU  97   1.900   2.236  -3.222
  737   2HD2  LEU  97          HD23      LEU  97   2.524   0.957  -2.180
  738   3HD2  LEU  97          HD22      LEU  97   2.580   0.771  -3.933
  739    H    VAL  98           HN       VAL  98  -2.248   1.410  -5.813
  740    HA   VAL  98           HA       VAL  98  -2.316  -1.027  -7.396
  741    HB   VAL  98           HB       VAL  98  -4.655  -0.739  -7.463
  742   1HG1  VAL  98          HG11      VAL  98  -3.682  -1.110  -5.199
  743   2HG1  VAL  98          HG13      VAL  98  -3.713   0.633  -4.936
  744   3HG1  VAL  98          HG12      VAL  98  -5.223  -0.253  -5.147
  745   1HG2  VAL  98          HG23      VAL  98  -3.933   2.131  -7.398
  746   2HG2  VAL  98          HG22      VAL  98  -5.279   1.331  -8.209
  747   3HG2  VAL  98          HG21      VAL  98  -5.384   1.709  -6.489
  748    H    THR  99           HN       THR  99  -0.808   1.443  -8.455
  749    HA   THR  99           HA       THR  99  -2.374   1.841 -10.934
  750    HB   THR  99           HB       THR  99  -1.053   3.749 -11.369
  751    HG1  THR  99           HG1      THR  99   0.874   3.996  -9.868
  752   1HG2  THR  99          HG23      THR  99  -2.502   3.777  -9.228
  753   2HG2  THR  99          HG22      THR  99  -0.969   3.705  -8.359
  754   3HG2  THR  99          HG21      THR  99  -1.312   5.062  -9.432
  755    H    GLU 100           HN       GLU 100  -0.868   1.880 -13.023
  756    HA   GLU 100           HA       GLU 100   0.152  -0.746 -13.364
  757   1HB   GLU 100           HB2      GLU 100   0.789   1.770 -14.929
  758   2HB   GLU 100           HB1      GLU 100   1.130   0.127 -15.471
  759   1HG   GLU 100           HG2      GLU 100  -1.353  -0.359 -15.152
  760   2HG   GLU 100           HG1      GLU 100  -1.575   1.380 -14.959
  761    H    VAL 101           HN       VAL 101   1.664   1.594 -11.425
  762    HA   VAL 101           HA       VAL 101   4.376   0.726 -12.251
  763    HB   VAL 101           HB       VAL 101   3.451   2.868 -10.317
  764   1HG1  VAL 101          HG13      VAL 101   6.044   1.578 -10.764
  765   2HG1  VAL 101          HG12      VAL 101   6.106   3.329 -10.966
  766   3HG1  VAL 101          HG11      VAL 101   5.528   2.635  -9.451
  767   1HG2  VAL 101          HG23      VAL 101   3.553   2.859 -13.110
  768   2HG2  VAL 101          HG22      VAL 101   3.495   4.287 -12.078
  769   3HG2  VAL 101          HG21      VAL 101   5.049   3.660 -12.629
  770    H    GLU 102           HN       GLU 102   2.078  -0.572 -10.344
  771    HA   GLU 102           HA       GLU 102   4.135  -1.724  -8.549
  772   1HB   GLU 102           HB2      GLU 102   1.995   0.098  -7.714
  773   2HB   GLU 102           HB1      GLU 102   2.008  -1.418  -6.812
  774   1HG   GLU 102           HG2      GLU 102   4.516   0.201  -7.277
  775   2HG   GLU 102           HG1      GLU 102   3.471   0.465  -5.880
  776    H    CYS 103           HN       CYS 103   0.687  -2.063  -7.954
  777    HA   CYS 103           HA       CYS 103   0.677  -4.689  -9.370
  778   1HB   CYS 103           HB2      CYS 103  -0.231  -4.360  -6.497
  779   2HB   CYS 103           HB1      CYS 103  -0.114  -5.858  -7.418
  780    H    ASN 104           HN       ASN 104  -0.677  -2.166 -10.017
  781    HA   ASN 104           HA       ASN 104  -3.188  -1.633  -9.166
  782   1HB   ASN 104           HB2      ASN 104  -3.863  -1.189 -11.496
  783   2HB   ASN 104           HB1      ASN 104  -2.223  -0.620 -11.187
  784   1HD2  ASN 104          HD22      ASN 104  -0.693  -3.074 -13.296
  785   2HD2  ASN 104          HD21      ASN 104  -0.418  -2.033 -11.984
  786    H    LEU 105           HN       LEU 105  -2.562  -4.435 -11.342
  787    HA   LEU 105           HA       LEU 105  -4.025  -6.220 -11.863
  788   1HB   LEU 105           HB2      LEU 105  -4.525  -6.026  -8.879
  789   2HB   LEU 105           HB1      LEU 105  -4.710  -7.462  -9.887
  790    HG   LEU 105           HG       LEU 105  -2.065  -6.034  -9.789
  791   1HD1  LEU 105          HD12      LEU 105  -3.272  -7.857  -7.713
  792   2HD1  LEU 105          HD11      LEU 105  -1.528  -7.826  -7.980
  793   3HD1  LEU 105          HD13      LEU 105  -2.370  -6.360  -7.478
  794   1HD2  LEU 105          HD21      LEU 105  -2.932  -8.916 -10.201
  795   2HD2  LEU 105          HD23      LEU 105  -2.406  -7.799 -11.461
  796   3HD2  LEU 105          HD22      LEU 105  -1.263  -8.348 -10.236
  797    H    ALA 106           HN       ALA 106  -5.302  -3.517 -12.032
  798    HA   ALA 106           HA       ALA 106  -7.458  -2.648 -12.314
  799   1HB   ALA 106           HB2      ALA 106  -7.884  -5.618 -12.398
  800   2HB   ALA 106           HB1      ALA 106  -9.287  -4.551 -12.350
  801   3HB   ALA 106           HB3      ALA 106  -8.127  -4.421 -13.671
  802    H    THR 107           HN       THR 107  -8.451  -1.526 -10.705
  803    HA   THR 107           HA       THR 107  -8.697  -2.771  -8.026
  804    HB   THR 107           HB       THR 107  -8.915  -0.584  -7.188
  805    HG1  THR 107           HG1      THR 107  -9.848   1.047  -8.347
  806   1HG2  THR 107          HG21      THR 107  -6.893  -1.038  -8.961
  807   2HG2  THR 107          HG23      THR 107  -7.619   0.417  -9.643
  808   3HG2  THR 107          HG22      THR 107  -7.037   0.419  -7.979
  809    H    ILE 108           HN       ILE 108 -11.005  -1.491  -7.089
  810    HA   ILE 108           HA       ILE 108 -13.088  -3.180  -8.080
  811    HB   ILE 108           HB       ILE 108 -12.941  -1.960  -5.821
  812   1HG1  ILE 108          HG12      ILE 108 -14.948  -3.219  -6.689
  813   2HG1  ILE 108          HG11      ILE 108 -15.349  -1.909  -5.579
  814   1HG2  ILE 108          HG21      ILE 108 -12.519   0.283  -6.756
  815   2HG2  ILE 108          HG23      ILE 108 -14.113   0.270  -7.511
  816   3HG2  ILE 108          HG22      ILE 108 -13.969   0.276  -5.753
  817   1HD1  ILE 108          HD13      ILE 108 -15.353  -0.620  -8.015
  818   2HD1  ILE 108          HD12      ILE 108 -15.992  -2.209  -8.433
  819   3HD1  ILE 108          HD11      ILE 108 -16.788  -1.237  -7.197
  820    H    HIS 109           HN       HIS 109 -11.891  -0.079  -9.061
  821    HA   HIS 109           HA       HIS 109 -14.181   0.705 -10.670
  822   1HB   HIS 109           HB2      HIS 109 -11.305   1.640 -10.620
  823   2HB   HIS 109           HB1      HIS 109 -12.585   2.409 -11.553
  824    HD1  HIS 109           HD1      HIS 109 -14.336   3.798 -10.266
  825    HD2  HIS 109           HD2      HIS 109 -11.508   1.988  -7.803
  826    HE1  HIS 109           HE1      HIS 109 -14.610   4.844  -7.978
  827    H    GLY 110           HN       GLY 110 -12.459  -1.952 -11.148
  828   1HA   GLY 110           HA2      GLY 110 -11.755  -3.170 -13.026
  829   2HA   GLY 110           HA1      GLY 110 -13.042  -2.296 -13.859
  830    H    GLY 111           HN       GLY 111 -10.427  -0.513 -12.396
  831   1HA   GLY 111           HA2      GLY 111  -8.891  -0.366 -14.895
  832   2HA   GLY 111           HA1      GLY 111  -9.755   1.113 -14.477
  833    HA   PRO 112           HA       PRO 112  -5.651   0.864 -12.190
  834   1HB   PRO 112           HB2      PRO 112  -4.284   2.677 -13.753
  835   2HB   PRO 112           HB1      PRO 112  -4.247   0.925 -14.018
  836   1HG   PRO 112           HG2      PRO 112  -5.657   3.040 -15.568
  837   2HG   PRO 112           HG1      PRO 112  -5.112   1.441 -16.097
  838   1HD   PRO 112           HD2      PRO 112  -7.772   2.160 -15.434
  839   2HD   PRO 112           HD1      PRO 112  -7.159   0.511 -15.671
  840    H    PHE 113           HN       PHE 113  -7.380   2.087 -10.823
  841    HA   PHE 113           HA       PHE 113  -6.363   4.541  -9.935
  842   1HB   PHE 113           HB2      PHE 113  -8.115   6.127 -10.820
  843   2HB   PHE 113           HB1      PHE 113  -6.970   5.563 -12.033
  844    HD1  PHE 113           HD2      PHE 113 -10.429   5.195 -10.733
  845    HD2  PHE 113           HD1      PHE 113  -7.660   4.128 -13.840
  846    HE1  PHE 113           HE2      PHE 113 -12.302   4.323 -12.109
  847    HE2  PHE 113           HE1      PHE 113  -9.531   3.259 -15.215
  848    HZ   PHE 113           HZ       PHE 113 -11.856   3.356 -14.353
  849    H    CYS 114           HN       CYS 114  -7.508   5.208  -8.026
  850    HA   CYS 114           HA       CYS 114 -10.209   4.058  -7.646
  851   1HB   CYS 114           HB2      CYS 114  -9.690   3.047  -5.536
  852   2HB   CYS 114           HB1      CYS 114  -8.459   2.487  -6.668
  853    H    LEU 115           HN       LEU 115 -11.470   5.261  -6.049
  854    HA   LEU 115           HA       LEU 115 -12.133   7.288  -5.074
  855   1HB   LEU 115           HB2      LEU 115  -9.270   7.025  -4.124
  856   2HB   LEU 115           HB1      LEU 115 -10.369   8.275  -3.537
  857    HG   LEU 115           HG       LEU 115 -11.750   5.778  -3.431
  858   1HD1  LEU 115          HD13      LEU 115  -8.938   5.760  -2.316
  859   2HD1  LEU 115          HD12      LEU 115 -10.205   4.703  -1.695
  860   3HD1  LEU 115          HD11      LEU 115  -9.690   4.570  -3.377
  861   1HD2  LEU 115          HD23      LEU 115 -11.676   8.039  -1.990
  862   2HD2  LEU 115          HD22      LEU 115 -12.259   6.522  -1.304
  863   3HD2  LEU 115          HD21      LEU 115 -10.609   7.058  -0.985
  864    H    SER 116           HN       SER 116 -11.092   9.710  -4.733
  865    HA   SER 116           HA       SER 116 -10.449  11.674  -5.823
  866   1HB   SER 116           HB2      SER 116  -8.706   9.643  -7.212
  867   2HB   SER 116           HB1      SER 116  -8.686  11.339  -7.684
  868    HG   SER 116           HG       SER 116  -7.828  11.869  -5.791
  869    H    LEU 117           HN       LEU 117  -9.860  10.233  -8.904
  870    HA   LEU 117           HA       LEU 117 -11.009  10.461 -10.927
  871   1HB   LEU 117           HB2      LEU 117 -13.434  10.066  -9.140
  872   2HB   LEU 117           HB1      LEU 117 -13.390   9.852 -10.890
  873    HG   LEU 117           HG       LEU 117 -11.978   8.207  -8.784
  874   1HD1  LEU 117          HD12      LEU 117 -14.310   7.915 -10.527
  875   2HD1  LEU 117          HD11      LEU 117 -13.169   6.581 -10.701
  876   3HD1  LEU 117          HD13      LEU 117 -13.839   6.967  -9.116
  877   1HD2  LEU 117          HD23      LEU 117 -11.313   8.675 -11.653
  878   2HD2  LEU 117          HD22      LEU 117 -10.255   8.239 -10.311
  879   3HD2  LEU 117          HD21      LEU 117 -11.253   7.008 -11.084
  880    H    LEU 118           HN       LEU 118 -13.770  11.646 -11.122
  881    HA   LEU 118           HA       LEU 118 -13.116  14.309 -11.631
  882   1HB   LEU 118           HB2      LEU 118 -15.720  12.951 -10.992
  883   2HB   LEU 118           HB1      LEU 118 -15.653  14.701 -11.167
  884    HG   LEU 118           HG       LEU 118 -14.290  13.058 -13.249
  885   1HD1  LEU 118          HD13      LEU 118 -16.787  12.258 -12.562
  886   2HD1  LEU 118          HD12      LEU 118 -17.183  13.555 -13.689
  887   3HD1  LEU 118          HD11      LEU 118 -16.180  12.204 -14.217
  888   1HD2  LEU 118          HD22      LEU 118 -14.599  15.681 -12.997
  889   2HD2  LEU 118          HD21      LEU 118 -14.686  14.920 -14.584
  890   3HD2  LEU 118          HD23      LEU 118 -16.168  15.346 -13.729
  891    H    GLY 119           HN       GLY 119 -13.461  12.922  -8.474
  892   1HA   GLY 119           HA2      GLY 119 -14.377  15.214  -7.046
  893   2HA   GLY 119           HA1      GLY 119 -13.416  13.905  -6.354
  894    H    ALA 120           HN       ALA 120 -11.082  14.052  -6.510
  895    HA   ALA 120           HA       ALA 120 -10.053  16.749  -7.262
  896   1HB   ALA 120           HB2      ALA 120 -10.446  16.117  -4.664
  897   2HB   ALA 120           HB1      ALA 120  -8.833  15.442  -4.890
  898   3HB   ALA 120           HB3      ALA 120  -9.125  17.153  -5.208
  899    H    GLY 121           HN       GLY 121  -9.525  15.211  -9.153
  900   1HA   GLY 121           HA2      GLY 121  -7.255  13.397  -8.631
  901   2HA   GLY 121           HA1      GLY 121  -8.067  13.617 -10.182
  902    H    GLU 122           HN       GLU 122  -7.223  16.497  -8.491
  903    HA   GLU 122           HA       GLU 122  -5.607  18.142  -8.930
  904   1HB   GLU 122           HB2      GLU 122  -4.222  15.706  -8.859
  905   2HB   GLU 122           HB1      GLU 122  -3.677  16.490 -10.342
  906   1HG   GLU 122           HG2      GLU 122  -3.757  18.546  -8.439
  907   2HG   GLU 122           HG1      GLU 122  -3.066  17.166  -7.584
   
  No H/Q in entry =         907
  Start of MODEL          10
 Raw file had  930 H/Q atoms
  Start of MODEL   10
    1   1H    SER   1           HT2      SER   1 -21.378   6.534   9.948
    2   2H    SER   1           HT1      SER   1 -22.108   8.051  10.172
    3   3H    SER   1           HT3      SER   1 -22.852   6.655  10.783
    4    HA   SER   1           HA       SER   1 -23.502   5.904   8.705
    5   1HB   SER   1           HB2      SER   1 -24.622   7.855   7.675
    6   2HB   SER   1           HB1      SER   1 -24.783   7.879   9.426
    7    HG   SER   1           HG       SER   1 -23.482   9.602   7.745
    8    H    VAL   2           HN       VAL   2 -23.549   6.999   6.242
    9    HA   VAL   2           HA       VAL   2 -22.345   7.561   4.295
   10    HB   VAL   2           HB       VAL   2 -19.758   7.456   5.855
   11   1HG1  VAL   2          HG12      VAL   2 -19.960   7.503   3.261
   12   2HG1  VAL   2          HG11      VAL   2 -20.442   9.184   3.486
   13   3HG1  VAL   2          HG13      VAL   2 -18.857   8.640   4.038
   14   1HG2  VAL   2          HG23      VAL   2 -21.930   9.275   6.271
   15   2HG2  VAL   2          HG22      VAL   2 -20.304   9.358   6.944
   16   3HG2  VAL   2          HG21      VAL   2 -20.664  10.153   5.413
   17    H    GLY   3           HN       GLY   3 -20.634   5.253   6.437
   18   1HA   GLY   3           HA2      GLY   3 -20.231   2.955   6.061
   19   2HA   GLY   3           HA1      GLY   3 -21.010   3.108   4.483
   20    H    THR   4           HN       THR   4 -19.673   2.900   2.797
   21    HA   THR   4           HA       THR   4 -17.673   2.577   1.609
   22    HB   THR   4           HB       THR   4 -18.145   4.972   1.298
   23    HG1  THR   4           HG1      THR   4 -16.138   5.447   0.581
   24   1HG2  THR   4          HG22      THR   4 -16.479   5.254   3.806
   25   2HG2  THR   4          HG21      THR   4 -16.793   6.595   2.706
   26   3HG2  THR   4          HG23      THR   4 -18.131   5.809   3.542
   27    H    SER   5           HN       SER   5 -17.572   1.556   4.355
   28    HA   SER   5           HA       SER   5 -14.674   1.928   4.994
   29   1HB   SER   5           HB2      SER   5 -16.724   2.269   6.699
   30   2HB   SER   5           HB1      SER   5 -16.493   0.534   6.898
   31    HG   SER   5           HG       SER   5 -15.076   1.392   8.295
   32    H    CYS   6           HN       CYS   6 -13.783  -0.176   6.090
   33    HA   CYS   6           HA       CYS   6 -14.641  -2.550   4.478
   34   1HB   CYS   6           HB2      CYS   6 -11.845  -1.675   5.264
   35   2HB   CYS   6           HB1      CYS   6 -12.223  -3.232   4.525
   36    H    ILE   7           HN       ILE   7 -13.873  -4.648   5.542
   37    HA   ILE   7           HA       ILE   7 -14.651  -4.587   8.378
   38    HB   ILE   7           HB       ILE   7 -13.845  -7.037   6.795
   39   1HG1  ILE   7          HG12      ILE   7 -16.654  -5.915   6.991
   40   2HG1  ILE   7          HG11      ILE   7 -15.612  -5.633   5.595
   41   1HG2  ILE   7          HG23      ILE   7 -15.472  -6.464   9.265
   42   2HG2  ILE   7          HG22      ILE   7 -15.702  -7.959   8.359
   43   3HG2  ILE   7          HG21      ILE   7 -14.129  -7.590   9.065
   44   1HD1  ILE   7          HD11      ILE   7 -15.339  -8.144   5.412
   45   2HD1  ILE   7          HD13      ILE   7 -16.597  -8.301   6.639
   46   3HD1  ILE   7          HD12      ILE   7 -16.970  -7.556   5.085
   47    HA   PRO   8           HA       PRO   8 -10.354  -4.770   9.605
   48   1HB   PRO   8           HB2      PRO   8 -10.721  -5.226  12.290
   49   2HB   PRO   8           HB1      PRO   8 -10.939  -3.642  11.527
   50   1HG   PRO   8           HG2      PRO   8 -13.000  -5.535  12.532
   51   2HG   PRO   8           HG1      PRO   8 -13.101  -3.781  12.306
   52   1HD   PRO   8           HD2      PRO   8 -14.171  -5.776  10.584
   53   2HD   PRO   8           HD1      PRO   8 -14.070  -4.035  10.252
   54    H    GLY   9           HN       GLY   9  -8.770  -6.443  10.106
   55   1HA   GLY   9           HA2      GLY   9  -7.941  -8.616  10.265
   56   2HA   GLY   9           HA1      GLY   9  -9.289  -8.929  11.352
   57    H    MET  10           HN       MET  10 -10.159  -7.862   8.173
   58    HA   MET  10           HA       MET  10 -10.569 -10.647   7.213
   59   1HB   MET  10           HB2      MET  10 -12.668  -8.540   7.663
   60   2HB   MET  10           HB1      MET  10 -12.894  -9.780   6.428
   61   1HG   MET  10           HG2      MET  10 -12.625 -11.544   8.080
   62   2HG   MET  10           HG1      MET  10 -12.239 -10.362   9.330
   63   1HE   MET  10           HE2      MET  10 -14.802 -10.400   6.406
   64   2HE   MET  10           HE1      MET  10 -14.879 -12.017   7.101
   65   3HE   MET  10           HE3      MET  10 -16.275 -10.935   7.210
   66    H    ALA  11           HN       ALA  11  -9.284 -10.482   5.223
   67    HA   ALA  11           HA       ALA  11  -8.946  -9.851   2.979
   68   1HB   ALA  11           HB1      ALA  11 -11.324  -8.545   3.371
   69   2HB   ALA  11           HB3      ALA  11 -10.225  -7.187   3.135
   70   3HB   ALA  11           HB2      ALA  11 -10.366  -8.431   1.896
   71    H    ILE  12           HN       ILE  12  -9.052  -6.999   5.135
   72    HA   ILE  12           HA       ILE  12  -6.270  -6.347   4.326
   73    HB   ILE  12           HB       ILE  12  -8.233  -4.581   5.810
   74   1HG1  ILE  12          HG12      ILE  12  -7.571  -4.573   2.848
   75   2HG1  ILE  12          HG11      ILE  12  -9.060  -5.227   3.529
   76   1HG2  ILE  12          HG21      ILE  12  -5.567  -4.299   5.655
   77   2HG2  ILE  12          HG23      ILE  12  -6.005  -3.553   4.119
   78   3HG2  ILE  12          HG22      ILE  12  -6.659  -2.914   5.627
   79   1HD1  ILE  12          HD11      ILE  12  -8.763  -2.640   4.645
   80   2HD1  ILE  12          HD13      ILE  12  -8.409  -2.482   2.924
   81   3HD1  ILE  12          HD12      ILE  12  -9.948  -3.162   3.449
   82    HA   PRO  13           HA       PRO  13  -5.865  -8.003   8.568
   83   1HB   PRO  13           HB2      PRO  13  -3.287  -8.920   8.321
   84   2HB   PRO  13           HB1      PRO  13  -4.718  -9.836   7.831
   85   1HG   PRO  13           HG2      PRO  13  -2.683  -8.521   6.133
   86   2HG   PRO  13           HG1      PRO  13  -3.839  -9.792   5.708
   87   1HD   PRO  13           HD2      PRO  13  -4.014  -6.989   5.125
   88   2HD   PRO  13           HD1      PRO  13  -5.221  -8.243   4.737
   89    H    HIS  14           HN       HIS  14  -4.135  -7.651  10.308
   90    HA   HIS  14           HA       HIS  14  -3.637  -4.848  10.570
   91   1HB   HIS  14           HB2      HIS  14  -2.615  -7.192  12.219
   92   2HB   HIS  14           HB1      HIS  14  -2.680  -5.517  12.719
   93    HD1  HIS  14           HD1      HIS  14  -4.898  -4.612  13.605
   94    HD2  HIS  14           HD2      HIS  14  -5.248  -8.389  11.882
   95    HE1  HIS  14           HE1      HIS  14  -7.258  -5.409  14.095
   96    H    ASN  15           HN       ASN  15  -1.587  -3.744  10.440
   97    HA   ASN  15           HA       ASN  15   0.566  -3.314   9.671
   98   1HB   ASN  15           HB2      ASN  15   0.980  -5.095  11.500
   99   2HB   ASN  15           HB1      ASN  15   1.175  -6.235  10.171
  100   1HD2  ASN  15          HD22      ASN  15   4.528  -4.761  11.058
  101   2HD2  ASN  15          HD21      ASN  15   3.339  -5.590  11.942
  102    HA   PRO  16           HA       PRO  16  -0.406  -5.648   5.669
  103   1HB   PRO  16           HB2      PRO  16  -1.917  -3.771   4.375
  104   2HB   PRO  16           HB1      PRO  16  -2.617  -5.020   5.417
  105   1HG   PRO  16           HG2      PRO  16  -2.267  -2.109   5.949
  106   2HG   PRO  16           HG1      PRO  16  -3.462  -3.235   6.612
  107   1HD   PRO  16           HD2      PRO  16  -1.122  -2.313   7.934
  108   2HD   PRO  16           HD1      PRO  16  -2.181  -3.646   8.435
  109    H    LEU  17           HN       LEU  17   0.187  -4.894   3.417
  110    HA   LEU  17           HA       LEU  17   1.762  -3.947   1.966
  111   1HB   LEU  17           HB2      LEU  17   0.437  -1.684   3.411
  112   2HB   LEU  17           HB1      LEU  17   1.779  -1.317   2.331
  113    HG   LEU  17           HG       LEU  17  -0.481  -1.213   1.222
  114   1HD1  LEU  17          HD11      LEU  17   1.759  -1.807   0.093
  115   2HD1  LEU  17          HD13      LEU  17   1.144  -3.459   0.047
  116   3HD1  LEU  17          HD12      LEU  17   0.277  -2.170  -0.789
  117   1HD2  LEU  17          HD22      LEU  17  -1.262  -3.317   2.576
  118   2HD2  LEU  17          HD21      LEU  17  -1.817  -3.120   0.914
  119   3HD2  LEU  17          HD23      LEU  17  -0.493  -4.226   1.278
  120    H    ASP  18           HN       ASP  18   2.973  -5.015   4.358
  121    HA   ASP  18           HA       ASP  18   4.955  -3.095   5.330
  122   1HB   ASP  18           HB2      ASP  18   5.972  -5.087   6.454
  123   2HB   ASP  18           HB1      ASP  18   4.257  -4.892   6.820
  124    H    SER  19           HN       SER  19   4.933  -5.833   3.103
  125    HA   SER  19           HA       SER  19   7.707  -5.805   2.409
  126   1HB   SER  19           HB2      SER  19   5.591  -7.411   1.779
  127   2HB   SER  19           HB1      SER  19   5.778  -6.521   0.272
  128    HG   SER  19           HG       SER  19   7.268  -8.510   1.249
  129    H    CYS  20           HN       CYS  20   4.956  -3.891   1.402
  130    HA   CYS  20           HA       CYS  20   6.190  -2.712  -0.929
  131   1HB   CYS  20           HB2      CYS  20   3.760  -2.114   0.716
  132   2HB   CYS  20           HB1      CYS  20   4.313  -0.962  -0.498
  133    H    ARG  21           HN       ARG  21   5.834  -1.774   2.475
  134    HA   ARG  21           HA       ARG  21   6.922   0.840   2.239
  135   1HB   ARG  21           HB2      ARG  21   5.997   0.732   4.301
  136   2HB   ARG  21           HB1      ARG  21   6.219  -1.001   4.433
  137   1HG   ARG  21           HG2      ARG  21   7.490   0.190   6.183
  138   2HG   ARG  21           HG1      ARG  21   8.597  -0.626   5.078
  139   1HD   ARG  21           HD2      ARG  21   9.418   1.338   4.241
  140   2HD   ARG  21           HD1      ARG  21   7.852   2.145   4.332
  141    HE   ARG  21           HE       ARG  21   8.927   1.676   6.973
  142   1HH1  ARG  21          HH11      ARG  21   8.794   3.873   4.275
  143   2HH1  ARG  21          HH12      ARG  21   9.580   5.149   5.134
  144   1HH2  ARG  21          HH21      ARG  21  10.106   3.300   8.009
  145   2HH2  ARG  21          HH22      ARG  21  10.312   4.832   7.228
  146    H    TRP  22           HN       TRP  22   8.574  -2.246   3.120
  147    HA   TRP  22           HA       TRP  22  11.174  -1.016   3.191
  148   1HB   TRP  22           HB2      TRP  22  10.359  -3.907   3.098
  149   2HB   TRP  22           HB1      TRP  22  12.038  -3.403   3.024
  150    HD1  TRP  22           HD1      TRP  22   9.682  -4.402   5.492
  151    HE1  TRP  22           HE1      TRP  22  10.261  -3.439   7.827
  152    HE3  TRP  22           HE3      TRP  22  12.963  -0.948   4.067
  153    HZ2  TRP  22           HZ2      TRP  22  11.985  -1.371   8.913
  154    HZ3  TRP  22           HZ3      TRP  22  14.111   0.554   5.705
  155    HH2  TRP  22           HH2      TRP  22  13.617   0.334   8.133
  156    H    TYR  23           HN       TYR  23   9.214  -2.417   0.657
  157    HA   TYR  23           HA       TYR  23  11.320  -2.773  -1.274
  158   1HB   TYR  23           HB2      TYR  23   9.035  -3.809  -1.448
  159   2HB   TYR  23           HB1      TYR  23   8.403  -2.219  -1.883
  160    HD1  TYR  23           HD2      TYR  23  11.550  -4.071  -2.803
  161    HD2  TYR  23           HD1      TYR  23   7.955  -2.158  -4.175
  162    HE1  TYR  23           HE2      TYR  23  12.252  -4.438  -5.150
  163    HE2  TYR  23           HE1      TYR  23   8.658  -2.526  -6.523
  164    HH   TYR  23           HH       TYR  23  11.258  -2.890  -7.630
  165    H    VAL  24           HN       VAL  24   9.408   0.010  -0.231
  166    HA   VAL  24           HA       VAL  24  10.257   1.691  -2.478
  167    HB   VAL  24           HB       VAL  24   9.202   2.534   0.242
  168   1HG1  VAL  24          HG13      VAL  24  10.458   4.038  -1.859
  169   2HG1  VAL  24          HG12      VAL  24   8.765   4.510  -1.775
  170   3HG1  VAL  24          HG11      VAL  24   9.786   4.632  -0.344
  171   1HG2  VAL  24          HG23      VAL  24   7.898   2.029  -2.431
  172   2HG2  VAL  24          HG22      VAL  24   7.418   1.416  -0.850
  173   3HG2  VAL  24          HG21      VAL  24   7.162   3.112  -1.250
  174    H    SER  25           HN       SER  25  11.263   1.165   0.916
  175    HA   SER  25           HA       SER  25  13.272   3.139   1.061
  176   1HB   SER  25           HB2      SER  25  14.282   1.828   2.823
  177   2HB   SER  25           HB1      SER  25  12.533   1.677   2.956
  178    HG   SER  25           HG       SER  25  14.404  -0.219   2.507
  179    H    THR  26           HN       THR  26  13.425  -0.121  -0.340
  180    HA   THR  26           HA       THR  26  16.265   0.002  -0.959
  181    HB   THR  26           HB       THR  26  14.077  -1.888  -1.881
  182    HG1  THR  26           HG1      THR  26  16.150  -2.237   0.012
  183   1HG2  THR  26          HG22      THR  26  17.091  -2.103  -2.161
  184   2HG2  THR  26          HG21      THR  26  15.953  -3.410  -2.486
  185   3HG2  THR  26          HG23      THR  26  15.929  -1.953  -3.478
  186    H    ARG  27           HN       ARG  27  13.330   0.205  -2.987
  187    HA   ARG  27           HA       ARG  27  14.677   0.582  -5.470
  188   1HB   ARG  27           HB2      ARG  27  11.905   1.470  -4.623
  189   2HB   ARG  27           HB1      ARG  27  12.487   1.431  -6.286
  190   1HG   ARG  27           HG2      ARG  27  12.494  -1.007  -4.497
  191   2HG   ARG  27           HG1      ARG  27  11.140  -0.600  -5.551
  192   1HD   ARG  27           HD2      ARG  27  13.971  -0.849  -6.580
  193   2HD   ARG  27           HD1      ARG  27  12.863  -2.216  -6.525
  194    HE   ARG  27           HE       ARG  27  11.517  -0.117  -7.845
  195   1HH1  ARG  27          HH21      ARG  27  14.721  -1.007  -8.398
  196   2HH1  ARG  27          HH22      ARG  27  14.487  -1.462 -10.051
  197   1HH2  ARG  27          HH11      ARG  27  11.037  -1.170  -9.932
  198   2HH2  ARG  27          HH12      ARG  27  12.409  -1.552 -10.917
  199    H    THR  28           HN       THR  28  13.950   2.799  -2.905
  200    HA   THR  28           HA       THR  28  14.475   5.149  -4.603
  201    HB   THR  28           HB       THR  28  13.676   6.437  -2.640
  202    HG1  THR  28           HG1      THR  28  12.969   5.304  -0.839
  203   1HG2  THR  28          HG22      THR  28  12.078   5.550  -4.293
  204   2HG2  THR  28          HG21      THR  28  11.929   4.075  -3.338
  205   3HG2  THR  28          HG23      THR  28  11.378   5.614  -2.675
  206    H    CYS  29           HN       CYS  29  15.642   4.121  -1.331
  207    HA   CYS  29           HA       CYS  29  18.125   5.667  -1.843
  208   1HB   CYS  29           HB2      CYS  29  17.456   4.349   0.772
  209   2HB   CYS  29           HB1      CYS  29  18.452   5.770   0.479
  210    H    GLY  30           HN       GLY  30  17.272   2.661  -2.544
  211   1HA   GLY  30           HA2      GLY  30  18.431   0.608  -2.779
  212   2HA   GLY  30           HA1      GLY  30  19.903   1.572  -2.668
  213    H    VAL  31           HN       VAL  31  17.564   1.679  -0.076
  214    HA   VAL  31           HA       VAL  31  19.438   0.143   1.685
  215    HB   VAL  31           HB       VAL  31  17.491   2.341   2.458
  216   1HG1  VAL  31          HG12      VAL  31  19.493   0.661   3.948
  217   2HG1  VAL  31          HG11      VAL  31  19.104   2.284   4.517
  218   3HG1  VAL  31          HG13      VAL  31  17.835   1.066   4.391
  219   1HG2  VAL  31          HG23      VAL  31  19.994   2.563   1.143
  220   2HG2  VAL  31          HG22      VAL  31  19.067   3.856   1.902
  221   3HG2  VAL  31          HG21      VAL  31  20.290   2.989   2.829
  222    H    GLY  32           HN       GLY  32  18.310  -0.957   3.550
  223   1HA   GLY  32           HA2      GLY  32  15.918  -1.602   4.315
  224   2HA   GLY  32           HA1      GLY  32  15.744  -2.108   2.631
  225    HA   PRO  33           HA       PRO  33  17.746  -5.571   5.244
  226   1HB   PRO  33           HB2      PRO  33  15.813  -7.515   4.835
  227   2HB   PRO  33           HB1      PRO  33  15.873  -6.450   6.250
  228   1HG   PRO  33           HG2      PRO  33  14.118  -6.280   3.828
  229   2HG   PRO  33           HG1      PRO  33  13.756  -5.859   5.512
  230   1HD   PRO  33           HD2      PRO  33  14.316  -4.000   3.576
  231   2HD   PRO  33           HD1      PRO  33  14.613  -3.740   5.311
  232    H    ARG  34           HN       ARG  34  18.336  -7.851   4.230
  233    HA   ARG  34           HA       ARG  34  18.927  -7.354   1.381
  234   1HB   ARG  34           HB2      ARG  34  19.929  -9.413   3.366
  235   2HB   ARG  34           HB1      ARG  34  20.403  -9.395   1.667
  236   1HG   ARG  34           HG2      ARG  34  21.381  -7.198   1.889
  237   2HG   ARG  34           HG1      ARG  34  20.737  -7.024   3.522
  238   1HD   ARG  34           HD2      ARG  34  22.211  -9.444   3.514
  239   2HD   ARG  34           HD1      ARG  34  23.209  -8.254   2.680
  240    HE   ARG  34           HE       ARG  34  22.020  -7.499   5.296
  241   1HH1  ARG  34          HH11      ARG  34  24.536  -9.448   4.583
  242   2HH1  ARG  34          HH12      ARG  34  25.796  -8.400   5.145
  243   1HH2  ARG  34          HH21      ARG  34  23.719  -5.644   5.481
  244   2HH2  ARG  34          HH22      ARG  34  25.334  -6.247   5.653
  245    H    LEU  35           HN       LEU  35  16.720  -7.684   0.707
  246    HA   LEU  35           HA       LEU  35  16.010 -10.572   0.393
  247   1HB   LEU  35           HB2      LEU  35  14.475  -8.491   1.613
  248   2HB   LEU  35           HB1      LEU  35  13.703  -8.864   0.076
  249    HG   LEU  35           HG       LEU  35  12.803 -10.272   1.891
  250   1HD1  LEU  35          HD13      LEU  35  14.464 -11.662  -0.224
  251   2HD1  LEU  35          HD12      LEU  35  13.318 -12.516   0.810
  252   3HD1  LEU  35          HD11      LEU  35  12.748 -11.260  -0.289
  253   1HD2  LEU  35          HD22      LEU  35  15.568 -10.442   2.632
  254   2HD2  LEU  35          HD21      LEU  35  14.169 -11.082   3.489
  255   3HD2  LEU  35          HD23      LEU  35  14.997 -12.075   2.290
  256    H    ALA  36           HN       ALA  36  15.885 -11.173  -1.742
  257    HA   ALA  36           HA       ALA  36  16.756  -9.584  -3.864
  258   1HB   ALA  36           HB2      ALA  36  16.229 -12.159  -3.710
  259   2HB   ALA  36           HB1      ALA  36  14.679 -11.680  -4.402
  260   3HB   ALA  36           HB3      ALA  36  16.175 -11.341  -5.271
  261    H    THR  37           HN       THR  37  15.757  -7.969  -5.154
  262    HA   THR  37           HA       THR  37  13.402  -6.658  -4.385
  263    HB   THR  37           HB       THR  37  13.459  -6.031  -7.013
  264    HG1  THR  37           HG1      THR  37  15.017  -7.358  -7.709
  265   1HG2  THR  37          HG22      THR  37  14.219  -4.851  -4.669
  266   2HG2  THR  37          HG21      THR  37  15.754  -4.914  -5.535
  267   3HG2  THR  37          HG23      THR  37  14.369  -4.093  -6.255
  268    H    GLN  38           HN       GLN  38  13.700  -8.966  -7.120
  269    HA   GLN  38           HA       GLN  38  11.033  -8.964  -7.966
  270   1HB   GLN  38           HB2      GLN  38  12.897 -10.229  -9.056
  271   2HB   GLN  38           HB1      GLN  38  12.799 -11.423  -7.762
  272   1HG   GLN  38           HG2      GLN  38  10.283 -11.588  -8.402
  273   2HG   GLN  38           HG1      GLN  38  10.773 -10.804  -9.906
  274   1HE2  GLN  38          HE22      GLN  38  12.404 -14.508  -9.117
  275   2HE2  GLN  38          HE21      GLN  38  12.100 -13.451  -7.824
  276    H    GLU  39           HN       GLU  39  12.395 -10.664  -5.184
  277    HA   GLU  39           HA       GLU  39  10.021 -12.196  -4.570
  278   1HB   GLU  39           HB2      GLU  39  12.455 -11.413  -2.949
  279   2HB   GLU  39           HB1      GLU  39  11.146 -12.392  -2.283
  280   1HG   GLU  39           HG2      GLU  39  11.479 -13.896  -4.365
  281   2HG   GLU  39           HG1      GLU  39  13.022 -13.062  -4.549
  282    H    MET  40           HN       MET  40  11.296  -9.056  -3.553
  283    HA   MET  40           HA       MET  40   9.408  -8.454  -1.498
  284   1HB   MET  40           HB2      MET  40  11.593  -7.220  -2.283
  285   2HB   MET  40           HB1      MET  40  10.499  -6.354  -3.350
  286   1HG   MET  40           HG2      MET  40  10.591  -5.039  -1.371
  287   2HG   MET  40           HG1      MET  40   9.058  -5.908  -1.284
  288   1HE   MET  40           HE1      MET  40  12.705  -6.131  -0.760
  289   2HE   MET  40           HE3      MET  40  12.429  -5.211   0.726
  290   3HE   MET  40           HE2      MET  40  12.985  -6.881   0.810
  291    H    LYS  41           HN       LYS  41   9.511  -7.351  -4.880
  292    HA   LYS  41           HA       LYS  41   6.974  -6.116  -5.006
  293   1HB   LYS  41           HB2      LYS  41   8.760  -5.982  -6.769
  294   2HB   LYS  41           HB1      LYS  41   8.323  -7.617  -7.267
  295   1HG   LYS  41           HG2      LYS  41   5.980  -6.833  -7.642
  296   2HG   LYS  41           HG1      LYS  41   6.502  -5.192  -7.263
  297   1HD   LYS  41           HD2      LYS  41   8.343  -5.756  -9.120
  298   2HD   LYS  41           HD1      LYS  41   7.078  -6.856  -9.673
  299   1HE   LYS  41           HE2      LYS  41   5.473  -4.882  -9.536
  300   2HE   LYS  41           HE1      LYS  41   6.890  -3.857  -9.316
  301   1HZ   LYS  41           HZ3      LYS  41   6.773  -5.757 -11.562
  302   2HZ   LYS  41           HZ2      LYS  41   5.984  -4.257 -11.678
  303   3HZ   LYS  41           HZ1      LYS  41   7.662  -4.321 -11.423
  304    H    ALA  42           HN       ALA  42   7.874  -9.514  -5.403
  305    HA   ALA  42           HA       ALA  42   5.347 -10.482  -6.363
  306   1HB   ALA  42           HB2      ALA  42   7.638 -11.784  -4.881
  307   2HB   ALA  42           HB1      ALA  42   6.186 -12.685  -5.315
  308   3HB   ALA  42           HB3      ALA  42   7.189 -11.970  -6.577
  309    H    ARG  43           HN       ARG  43   6.669  -9.917  -3.149
  310    HA   ARG  43           HA       ARG  43   4.560 -11.121  -1.627
  311   1HB   ARG  43           HB2      ARG  43   6.841  -9.306  -1.098
  312   2HB   ARG  43           HB1      ARG  43   5.493  -9.166   0.031
  313   1HG   ARG  43           HG2      ARG  43   6.606 -10.895   1.059
  314   2HG   ARG  43           HG1      ARG  43   5.654 -11.845  -0.082
  315   1HD   ARG  43           HD2      ARG  43   7.476 -12.050  -1.595
  316   2HD   ARG  43           HD1      ARG  43   8.394 -10.786  -0.779
  317    HE   ARG  43           HE       ARG  43   8.262 -13.584   0.021
  318   1HH1  ARG  43          HH21      ARG  43   7.374 -12.307   2.497
  319   2HH1  ARG  43          HH22      ARG  43   8.855 -11.839   3.265
  320   1HH2  ARG  43          HH11      ARG  43  10.751 -12.128   0.375
  321   2HH2  ARG  43          HH12      ARG  43  10.768 -11.738   2.062
  322    H    CYS  44           HN       CYS  44   5.132  -7.759  -2.691
  323    HA   CYS  44           HA       CYS  44   2.832  -6.605  -1.472
  324   1HB   CYS  44           HB2      CYS  44   4.514  -5.802  -3.814
  325   2HB   CYS  44           HB1      CYS  44   3.024  -4.937  -3.421
  326    H    CYS  45           HN       CYS  45   3.259  -8.227  -4.626
  327    HA   CYS  45           HA       CYS  45   0.610  -7.508  -5.598
  328   1HB   CYS  45           HB2      CYS  45   2.760  -9.392  -6.527
  329   2HB   CYS  45           HB1      CYS  45   1.157  -9.448  -7.251
  330    H    ARG  46           HN       ARG  46   1.955 -10.134  -3.720
  331    HA   ARG  46           HA       ARG  46  -0.326 -11.904  -4.024
  332   1HB   ARG  46           HB2      ARG  46   2.087 -12.413  -3.139
  333   2HB   ARG  46           HB1      ARG  46   1.452 -11.903  -1.590
  334   1HG   ARG  46           HG2      ARG  46   0.259 -13.792  -1.316
  335   2HG   ARG  46           HG1      ARG  46  -0.375 -13.725  -2.960
  336   1HD   ARG  46           HD2      ARG  46   0.929 -15.552  -3.307
  337   2HD   ARG  46           HD1      ARG  46   2.250 -14.389  -3.413
  338    HE   ARG  46           HE       ARG  46   2.506 -14.808  -0.882
  339   1HH1  ARG  46          HH21      ARG  46   0.147 -16.775  -0.949
  340   2HH1  ARG  46          HH22      ARG  46   0.991 -18.288  -0.948
  341   1HH2  ARG  46          HH11      ARG  46   4.044 -16.886  -1.810
  342   2HH2  ARG  46          HH12      ARG  46   3.199 -18.351  -1.436
  343    H    GLN  47           HN       GLN  47   0.624  -9.282  -1.852
  344    HA   GLN  47           HA       GLN  47  -1.670  -9.641  -0.054
  345   1HB   GLN  47           HB2      GLN  47   0.065  -7.176  -0.351
  346   2HB   GLN  47           HB1      GLN  47  -0.885  -7.657   1.053
  347   1HG   GLN  47           HG2      GLN  47   0.814  -9.848   0.508
  348   2HG   GLN  47           HG1      GLN  47   1.822  -8.414   0.334
  349   1HE2  GLN  47          HE22      GLN  47   2.143  -8.141   3.820
  350   2HE2  GLN  47          HE21      GLN  47   2.856  -7.995   2.287
  351    H    LEU  48           HN       LEU  48  -0.954  -7.848  -2.953
  352    HA   LEU  48           HA       LEU  48  -3.108  -5.951  -2.816
  353   1HB   LEU  48           HB2      LEU  48  -0.881  -5.931  -4.191
  354   2HB   LEU  48           HB1      LEU  48  -1.769  -6.912  -5.348
  355    HG   LEU  48           HG       LEU  48  -1.790  -4.469  -5.876
  356   1HD1  LEU  48          HD11      LEU  48  -3.711  -6.250  -6.285
  357   2HD1  LEU  48          HD13      LEU  48  -4.608  -5.171  -5.217
  358   3HD1  LEU  48          HD12      LEU  48  -3.918  -4.553  -6.717
  359   1HD2  LEU  48          HD23      LEU  48  -2.142  -4.065  -3.218
  360   2HD2  LEU  48          HD22      LEU  48  -2.576  -2.875  -4.445
  361   3HD2  LEU  48          HD21      LEU  48  -3.811  -3.939  -3.774
  362    H    GLU  49           HN       GLU  49  -2.691  -9.173  -4.188
  363    HA   GLU  49           HA       GLU  49  -5.289  -9.189  -5.526
  364   1HB   GLU  49           HB2      GLU  49  -3.390 -10.571  -6.354
  365   2HB   GLU  49           HB1      GLU  49  -3.419 -11.493  -4.851
  366   1HG   GLU  49           HG2      GLU  49  -6.005 -11.262  -6.302
  367   2HG   GLU  49           HG1      GLU  49  -4.768 -12.263  -7.063
  368    H    ALA  50           HN       ALA  50  -3.900 -10.805  -2.642
  369    HA   ALA  50           HA       ALA  50  -6.228 -12.091  -1.687
  370   1HB   ALA  50           HB3      ALA  50  -3.628 -11.355  -0.621
  371   2HB   ALA  50           HB2      ALA  50  -4.879 -11.156   0.606
  372   3HB   ALA  50           HB1      ALA  50  -4.660 -12.716  -0.185
  373    H    ILE  51           HN       ILE  51  -5.192  -8.750  -1.470
  374    HA   ILE  51           HA       ILE  51  -7.464  -7.948   0.226
  375    HB   ILE  51           HB       ILE  51  -5.248  -6.344  -1.094
  376   1HG1  ILE  51          HG12      ILE  51  -5.716  -6.972   1.832
  377   2HG1  ILE  51          HG11      ILE  51  -4.676  -7.952   0.799
  378   1HG2  ILE  51          HG23      ILE  51  -7.322  -5.008  -0.754
  379   2HG2  ILE  51          HG22      ILE  51  -7.330  -5.483   0.944
  380   3HG2  ILE  51          HG21      ILE  51  -6.021  -4.484   0.315
  381   1HD1  ILE  51          HD11      ILE  51  -3.375  -5.870   0.250
  382   2HD1  ILE  51          HD13      ILE  51  -4.342  -5.011   1.449
  383   3HD1  ILE  51          HD12      ILE  51  -3.286  -6.332   1.950
  384    HA   PRO  52           HA       PRO  52  -9.689  -7.813  -3.740
  385   1HB   PRO  52           HB2      PRO  52 -12.138  -7.140  -2.640
  386   2HB   PRO  52           HB1      PRO  52 -11.527  -8.798  -2.797
  387   1HG   PRO  52           HG2      PRO  52 -11.579  -7.027  -0.371
  388   2HG   PRO  52           HG1      PRO  52 -11.798  -8.785  -0.483
  389   1HD   PRO  52           HD2      PRO  52  -9.441  -7.623   0.345
  390   2HD   PRO  52           HD1      PRO  52  -9.513  -9.203  -0.466
  391    H    ALA  53           HN       ALA  53 -10.396  -6.115  -5.061
  392    HA   ALA  53           HA       ALA  53  -9.284  -3.561  -4.592
  393   1HB   ALA  53           HB1      ALA  53  -9.806  -4.512  -6.817
  394   2HB   ALA  53           HB3      ALA  53 -11.517  -4.229  -6.502
  395   3HB   ALA  53           HB2      ALA  53 -10.403  -2.865  -6.610
  396    H    TYR  54           HN       TYR  54 -12.367  -4.808  -3.540
  397    HA   TYR  54           HA       TYR  54 -13.982  -2.498  -3.365
  398   1HB   TYR  54           HB2      TYR  54 -13.838  -5.076  -2.018
  399   2HB   TYR  54           HB1      TYR  54 -14.286  -3.813  -0.874
  400    HD1  TYR  54           HD2      TYR  54 -16.194  -2.210  -1.540
  401    HD2  TYR  54           HD1      TYR  54 -15.420  -5.933  -3.538
  402    HE1  TYR  54           HE2      TYR  54 -18.498  -2.196  -2.457
  403    HE2  TYR  54           HE1      TYR  54 -17.724  -5.919  -4.456
  404    HH   TYR  54           HH       TYR  54 -20.142  -3.805  -3.316
  405    H    CYS  55           HN       CYS  55 -11.207  -3.468  -1.515
  406    HA   CYS  55           HA       CYS  55 -11.171  -0.853  -0.082
  407   1HB   CYS  55           HB2      CYS  55  -9.957  -3.483   0.828
  408   2HB   CYS  55           HB1      CYS  55  -9.947  -1.964   1.724
  409    H    ARG  56           HN       ARG  56  -8.770  -3.450  -0.783
  410    HA   ARG  56           HA       ARG  56  -6.502  -3.261  -1.361
  411   1HB   ARG  56           HB2      ARG  56  -8.230  -2.235  -3.545
  412   2HB   ARG  56           HB1      ARG  56  -6.507  -1.899  -3.708
  413   1HG   ARG  56           HG2      ARG  56  -6.097  -4.362  -3.213
  414   2HG   ARG  56           HG1      ARG  56  -7.834  -4.601  -3.395
  415   1HD   ARG  56           HD2      ARG  56  -7.615  -3.464  -5.673
  416   2HD   ARG  56           HD1      ARG  56  -5.871  -3.628  -5.478
  417    HE   ARG  56           HE       ARG  56  -6.767  -6.191  -5.043
  418   1HH1  ARG  56          HH11      ARG  56  -5.658  -4.611  -7.625
  419   2HH1  ARG  56          HH12      ARG  56  -6.616  -5.413  -8.818
  420   1HH2  ARG  56          HH21      ARG  56  -8.748  -6.875  -6.514
  421   2HH2  ARG  56          HH22      ARG  56  -8.373  -6.686  -8.194
  422    H    CYS  57           HN       CYS  57  -7.107  -0.148  -2.939
  423    HA   CYS  57           HA       CYS  57  -4.907   1.242  -2.103
  424   1HB   CYS  57           HB2      CYS  57  -7.695   2.409  -2.293
  425   2HB   CYS  57           HB1      CYS  57  -6.193   3.333  -2.365
  426    H    GLU  58           HN       GLU  58  -7.876   1.099   0.013
  427    HA   GLU  58           HA       GLU  58  -7.264   2.820   2.037
  428   1HB   GLU  58           HB2      GLU  58  -8.997   0.710   1.767
  429   2HB   GLU  58           HB1      GLU  58  -7.972   0.159   3.089
  430   1HG   GLU  58           HG2      GLU  58  -9.099   1.507   4.497
  431   2HG   GLU  58           HG1      GLU  58  -8.528   2.905   3.589
  432    H    ALA  59           HN       ALA  59  -5.834  -0.497   1.862
  433    HA   ALA  59           HA       ALA  59  -4.333  -0.640   4.153
  434   1HB   ALA  59           HB1      ALA  59  -3.417  -1.370   1.372
  435   2HB   ALA  59           HB3      ALA  59  -2.640  -1.919   2.856
  436   3HB   ALA  59           HB2      ALA  59  -4.295  -2.409   2.495
  437    H    VAL  60           HN       VAL  60  -3.217   1.045   1.224
  438    HA   VAL  60           HA       VAL  60  -0.718   1.950   2.221
  439    HB   VAL  60           HB       VAL  60  -2.565   3.334   0.248
  440   1HG1  VAL  60          HG13      VAL  60  -0.147   4.228   1.396
  441   2HG1  VAL  60          HG12      VAL  60   0.287   3.646  -0.210
  442   3HG1  VAL  60          HG11      VAL  60  -0.952   4.887  -0.027
  443   1HG2  VAL  60          HG23      VAL  60  -1.455   0.809   0.046
  444   2HG2  VAL  60          HG22      VAL  60  -1.906   1.826  -1.320
  445   3HG2  VAL  60          HG21      VAL  60  -0.242   1.817  -0.743
  446    H    ARG  61           HN       ARG  61  -3.930   3.500   2.299
  447    HA   ARG  61           HA       ARG  61  -3.172   5.893   3.654
  448   1HB   ARG  61           HB2      ARG  61  -5.788   4.358   3.672
  449   2HB   ARG  61           HB1      ARG  61  -5.588   5.975   4.345
  450   1HG   ARG  61           HG2      ARG  61  -4.460   6.089   1.752
  451   2HG   ARG  61           HG1      ARG  61  -5.964   5.187   1.578
  452   1HD   ARG  61           HD2      ARG  61  -7.254   7.000   2.055
  453   2HD   ARG  61           HD1      ARG  61  -6.152   7.579   3.304
  454    HE   ARG  61           HE       ARG  61  -5.520   7.942   0.405
  455   1HH1  ARG  61          HH21      ARG  61  -4.476   8.751   3.438
  456   2HH1  ARG  61          HH22      ARG  61  -4.494  10.467   3.206
  457   1HH2  ARG  61          HH11      ARG  61  -6.163  10.304   0.170
  458   2HH2  ARG  61          HH12      ARG  61  -5.450  11.347   1.354
  459    H    ILE  62           HN       ILE  62  -3.692   2.639   4.804
  460    HA   ILE  62           HA       ILE  62  -3.892   3.338   7.633
  461    HB   ILE  62           HB       ILE  62  -3.570   0.751   6.081
  462   1HG1  ILE  62          HG12      ILE  62  -5.761   1.635   7.966
  463   2HG1  ILE  62          HG11      ILE  62  -5.781   1.994   6.241
  464   1HG2  ILE  62          HG22      ILE  62  -3.133   1.222   8.985
  465   2HG2  ILE  62          HG21      ILE  62  -4.150  -0.155   8.566
  466   3HG2  ILE  62          HG23      ILE  62  -2.502  -0.055   7.945
  467   1HD1  ILE  62          HD13      ILE  62  -5.250  -0.648   6.126
  468   2HD1  ILE  62          HD12      ILE  62  -6.158  -0.604   7.638
  469   3HD1  ILE  62          HD11      ILE  62  -6.894  -0.008   6.150
  470    H    LEU  63           HN       LEU  63  -1.303   2.536   5.387
  471    HA   LEU  63           HA       LEU  63   0.625   2.081   7.515
  472   1HB   LEU  63           HB2      LEU  63   0.850   1.071   5.223
  473   2HB   LEU  63           HB1      LEU  63   1.164   2.688   4.594
  474    HG   LEU  63           HG       LEU  63   2.927   2.507   6.734
  475   1HD1  LEU  63          HD11      LEU  63   2.405  -0.189   5.571
  476   2HD1  LEU  63          HD13      LEU  63   4.088   0.249   5.864
  477   3HD1  LEU  63          HD12      LEU  63   2.931   0.253   7.194
  478   1HD2  LEU  63          HD21      LEU  63   3.351   3.431   4.458
  479   2HD2  LEU  63          HD23      LEU  63   4.653   2.371   4.997
  480   3HD2  LEU  63          HD22      LEU  63   3.464   1.785   3.833
  481    H    MET  64           HN       MET  64  -0.165   4.784   5.378
  482    HA   MET  64           HA       MET  64   1.931   6.476   6.490
  483   1HB   MET  64           HB2      MET  64   0.933   6.659   4.135
  484   2HB   MET  64           HB1      MET  64  -0.482   7.400   4.891
  485   1HG   MET  64           HG2      MET  64   0.981   9.191   4.219
  486   2HG   MET  64           HG1      MET  64   1.095   9.061   5.974
  487   1HE   MET  64           HE1      MET  64   2.420   8.965   2.703
  488   2HE   MET  64           HE3      MET  64   4.164   8.682   2.792
  489   3HE   MET  64           HE2      MET  64   3.050   7.320   2.711
  490    H    ASP  65           HN       ASP  65  -1.659   6.495   6.679
  491    HA   ASP  65           HA       ASP  65  -1.580   8.499   8.813
  492   1HB   ASP  65           HB2      ASP  65  -3.892   7.155   7.372
  493   2HB   ASP  65           HB1      ASP  65  -4.143   8.021   8.887
  494    H    GLY  66           HN       GLY  66  -1.624   5.024   8.682
  495   1HA   GLY  66           HA2      GLY  66  -1.263   3.572  10.536
  496   2HA   GLY  66           HA1      GLY  66  -1.546   4.931  11.624
  497    H    VAL  67           HN       VAL  67  -2.727   2.181  11.585
  498    HA   VAL  67           HA       VAL  67  -5.625   2.917  11.368
  499    HB   VAL  67           HB       VAL  67  -5.075   1.192   9.764
  500   1HG1  VAL  67          HG13      VAL  67  -3.933  -0.304  12.138
  501   2HG1  VAL  67          HG12      VAL  67  -4.125  -0.982  10.521
  502   3HG1  VAL  67          HG11      VAL  67  -3.015   0.363  10.789
  503   1HG2  VAL  67          HG21      VAL  67  -7.220   0.998  11.091
  504   2HG2  VAL  67          HG23      VAL  67  -6.643  -0.520  10.404
  505   3HG2  VAL  67          HG22      VAL  67  -6.397  -0.177  12.116
  506    H    VAL  68           HN       VAL  68  -7.036   1.909  12.971
  507    HA   VAL  68           HA       VAL  68  -5.621   1.391  15.543
  508    HB   VAL  68           HB       VAL  68  -8.272   2.771  15.022
  509   1HG1  VAL  68          HG11      VAL  68  -7.026   1.855  17.638
  510   2HG1  VAL  68          HG13      VAL  68  -8.323   3.045  17.541
  511   3HG1  VAL  68          HG12      VAL  68  -8.601   1.392  16.994
  512   1HG2  VAL  68          HG21      VAL  68  -5.526   3.568  15.894
  513   2HG2  VAL  68          HG23      VAL  68  -6.651   4.413  14.831
  514   3HG2  VAL  68          HG22      VAL  68  -6.897   4.441  16.577
  515    H    THR  69           HN       THR  69  -6.657  -0.050  16.989
  516    HA   THR  69           HA       THR  69  -8.244  -2.197  15.675
  517    HB   THR  69           HB       THR  69  -7.120  -3.717  17.346
  518    HG1  THR  69           HG1      THR  69  -6.346  -1.446  18.384
  519   1HG2  THR  69          HG21      THR  69  -6.332  -3.067  14.903
  520   2HG2  THR  69          HG23      THR  69  -4.967  -2.365  15.770
  521   3HG2  THR  69          HG22      THR  69  -5.325  -4.085  15.933
  522    H    SER  70           HN       SER  70  -9.635  -3.376  17.135
  523    HA   SER  70           HA       SER  70 -11.335  -1.699  18.679
  524   1HB   SER  70           HB2      SER  70 -12.096  -3.765  17.535
  525   2HB   SER  70           HB1      SER  70 -11.154  -4.718  18.678
  526    HG   SER  70           HG       SER  70 -13.324  -4.535  19.344
  527    H    SER  71           HN       SER  71  -8.729  -3.832  19.516
  528    HA   SER  71           HA       SER  71  -9.117  -3.941  22.350
  529   1HB   SER  71           HB2      SER  71  -6.563  -4.361  22.327
  530   2HB   SER  71           HB1      SER  71  -7.586  -5.514  21.477
  531    HG   SER  71           HG       SER  71  -5.896  -3.508  20.473
  532    H    GLY  72           HN       GLY  72  -8.052  -1.389  20.279
  533   1HA   GLY  72           HA2      GLY  72  -7.924   0.909  21.092
  534   2HA   GLY  72           HA1      GLY  72  -7.411   0.275  22.657
  535    H    GLN  73           HN       GLN  73  -5.834  -1.450  20.173
  536    HA   GLN  73           HA       GLN  73  -3.319   0.055  20.718
  537   1HB   GLN  73           HB2      GLN  73  -3.805  -2.610  19.347
  538   2HB   GLN  73           HB1      GLN  73  -2.220  -1.917  19.689
  539   1HG   GLN  73           HG2      GLN  73  -2.977  -1.806  22.142
  540   2HG   GLN  73           HG1      GLN  73  -4.299  -2.871  21.661
  541   1HE2  GLN  73          HE22      GLN  73  -2.196  -5.652  22.116
  542   2HE2  GLN  73          HE21      GLN  73  -3.705  -4.928  22.395
  543    H    HIS  74           HN       HIS  74  -1.908   0.670  18.903
  544    HA   HIS  74           HA       HIS  74  -3.419   1.155  16.366
  545   1HB   HIS  74           HB2      HIS  74  -1.338   2.760  17.830
  546   2HB   HIS  74           HB1      HIS  74  -1.634   3.002  16.127
  547    HD1  HIS  74           HD1      HIS  74  -2.771   5.266  16.229
  548    HD2  HIS  74           HD2      HIS  74  -4.559   2.472  18.754
  549    HE1  HIS  74           HE1      HIS  74  -4.896   6.337  17.096
  550    H    GLU  75           HN       GLU  75  -2.139   0.977  14.414
  551    HA   GLU  75           HA       GLU  75   0.501  -0.332  14.658
  552   1HB   GLU  75           HB2      GLU  75  -1.638  -1.461  12.849
  553   2HB   GLU  75           HB1      GLU  75  -0.044  -2.134  13.189
  554   1HG   GLU  75           HG2      GLU  75  -1.117  -1.929  15.714
  555   2HG   GLU  75           HG1      GLU  75  -2.532  -2.340  14.749
  556    H    GLY  76           HN       GLY  76   1.178  -0.820  12.170
  557   1HA   GLY  76           HA2      GLY  76   2.007   0.211  10.236
  558   2HA   GLY  76           HA1      GLY  76   0.409   0.951  10.103
  559    H    ARG  77           HN       ARG  77   1.152   2.988   9.491
  560    HA   ARG  77           HA       ARG  77   1.964   5.170   9.788
  561   1HB   ARG  77           HB2      ARG  77   0.659   4.395  12.135
  562   2HB   ARG  77           HB1      ARG  77   2.180   5.088  12.696
  563   1HG   ARG  77           HG2      ARG  77   1.726   7.083  11.222
  564   2HG   ARG  77           HG1      ARG  77   0.131   6.406  10.892
  565   1HD   ARG  77           HD2      ARG  77  -0.256   7.879  12.694
  566   2HD   ARG  77           HD1      ARG  77  -0.130   6.300  13.468
  567    HE   ARG  77           HE       ARG  77   2.390   7.807  13.300
  568   1HH1  ARG  77          HH11      ARG  77  -0.330   8.588  14.959
  569   2HH1  ARG  77          HH12      ARG  77   0.294   8.285  16.546
  570   1HH2  ARG  77          HH21      ARG  77   3.168   6.713  15.409
  571   2HH2  ARG  77          HH22      ARG  77   2.272   7.225  16.800
  572    H    LEU  78           HN       LEU  78   3.896   2.717   9.905
  573    HA   LEU  78           HA       LEU  78   6.117   3.720  11.525
  574   1HB   LEU  78           HB2      LEU  78   5.660   1.318   9.778
  575   2HB   LEU  78           HB1      LEU  78   7.304   1.763  10.235
  576    HG   LEU  78           HG       LEU  78   5.286   1.737  12.419
  577   1HD1  LEU  78          HD12      LEU  78   5.115  -0.377  10.772
  578   2HD1  LEU  78          HD11      LEU  78   6.505  -0.894  11.728
  579   3HD1  LEU  78          HD13      LEU  78   4.970  -0.539  12.522
  580   1HD2  LEU  78          HD23      LEU  78   7.911   2.148  12.402
  581   2HD2  LEU  78          HD22      LEU  78   7.147   1.279  13.732
  582   3HD2  LEU  78          HD21      LEU  78   7.962   0.386  12.449
  583    H    LEU  79           HN       LEU  79   4.939   4.264   8.320
  584    HA   LEU  79           HA       LEU  79   7.379   4.680   6.909
  585   1HB   LEU  79           HB2      LEU  79   4.963   4.596   6.001
  586   2HB   LEU  79           HB1      LEU  79   4.859   6.292   6.474
  587    HG   LEU  79           HG       LEU  79   7.274   5.516   4.933
  588   1HD1  LEU  79          HD13      LEU  79   4.472   5.403   3.829
  589   2HD1  LEU  79          HD12      LEU  79   5.830   5.855   2.798
  590   3HD1  LEU  79          HD11      LEU  79   5.804   4.275   3.579
  591   1HD2  LEU  79          HD21      LEU  79   6.041   7.876   5.738
  592   2HD2  LEU  79          HD23      LEU  79   7.304   7.747   4.517
  593   3HD2  LEU  79          HD22      LEU  79   5.608   7.764   4.034
  594    H    GLN  80           HN       GLN  80   8.840   5.783   8.228
  595    HA   GLN  80           HA       GLN  80   8.274   8.689   8.625
  596   1HB   GLN  80           HB2      GLN  80   9.720   6.941  10.640
  597   2HB   GLN  80           HB1      GLN  80   9.277   8.637  10.829
  598   1HG   GLN  80           HG2      GLN  80   6.912   8.077  10.803
  599   2HG   GLN  80           HG1      GLN  80   7.279   6.388  10.447
  600   1HE2  GLN  80          HE22      GLN  80   8.796   6.018  13.835
  601   2HE2  GLN  80          HE21      GLN  80   9.339   5.817  12.239
  602    H    ASP  81           HN       ASP  81  10.407   9.824   9.178
  603    HA   ASP  81           HA       ASP  81  12.173   9.695   7.027
  604   1HB   ASP  81           HB2      ASP  81  12.900  10.615   9.827
  605   2HB   ASP  81           HB1      ASP  81  13.669  11.094   8.310
  606    H    LEU  82           HN       LEU  82  13.086   7.832   6.477
  607    HA   LEU  82           HA       LEU  82  14.508   6.088   8.387
  608   1HB   LEU  82           HB2      LEU  82  13.769   5.964   5.467
  609   2HB   LEU  82           HB1      LEU  82  15.003   4.885   6.086
  610    HG   LEU  82           HG       LEU  82  12.271   5.139   7.356
  611   1HD1  LEU  82          HD13      LEU  82  13.216   3.508   5.020
  612   2HD1  LEU  82          HD12      LEU  82  12.052   2.796   6.137
  613   3HD1  LEU  82          HD11      LEU  82  11.652   4.283   5.279
  614   1HD2  LEU  82          HD23      LEU  82  14.528   4.047   8.367
  615   2HD2  LEU  82          HD22      LEU  82  12.925   3.394   8.706
  616   3HD2  LEU  82          HD21      LEU  82  13.928   2.665   7.452
  617    HA   PRO  83           HA       PRO  83  18.461   7.840   7.539
  618   1HB   PRO  83           HB2      PRO  83  20.111   5.706   6.950
  619   2HB   PRO  83           HB1      PRO  83  19.593   6.147   8.587
  620   1HG   PRO  83           HG2      PRO  83  18.610   3.932   6.831
  621   2HG   PRO  83           HG1      PRO  83  18.707   4.005   8.599
  622   1HD   PRO  83           HD2      PRO  83  16.366   4.343   7.142
  623   2HD   PRO  83           HD1      PRO  83  16.605   4.934   8.795
  624    H    GLY  84           HN       GLY  84  18.191   9.063   5.730
  625   1HA   GLY  84           HA2      GLY  84  18.982   9.709   3.575
  626   2HA   GLY  84           HA1      GLY  84  19.276   8.016   3.190
  627    H    CYS  85           HN       CYS  85  16.144   8.520   4.562
  628    HA   CYS  85           HA       CYS  85  14.883   8.928   1.901
  629   1HB   CYS  85           HB2      CYS  85  13.833   6.745   3.685
  630   2HB   CYS  85           HB1      CYS  85  13.565   6.984   1.965
  631    HA   PRO  86           HA       PRO  86  12.782  11.326   5.231
  632   1HB   PRO  86           HB2      PRO  86  12.089  13.455   3.611
  633   2HB   PRO  86           HB1      PRO  86  13.610  13.340   4.486
  634   1HG   PRO  86           HG2      PRO  86  13.084  12.955   1.587
  635   2HG   PRO  86           HG1      PRO  86  14.578  13.462   2.393
  636   1HD   PRO  86           HD2      PRO  86  14.061  10.897   1.367
  637   2HD   PRO  86           HD1      PRO  86  15.363  11.306   2.505
  638    H    ARG  87           HN       ARG  87  10.472  11.992   5.448
  639    HA   ARG  87           HA       ARG  87   8.522  10.286   4.440
  640   1HB   ARG  87           HB2      ARG  87   8.219  13.234   5.082
  641   2HB   ARG  87           HB1      ARG  87   6.906  12.070   4.989
  642   1HG   ARG  87           HG2      ARG  87   9.134  11.298   6.762
  643   2HG   ARG  87           HG1      ARG  87   8.221  12.713   7.282
  644   1HD   ARG  87           HD2      ARG  87   6.246  10.920   6.481
  645   2HD   ARG  87           HD1      ARG  87   7.421   9.899   7.293
  646    HE   ARG  87           HE       ARG  87   6.696  10.860   9.310
  647   1HH1  ARG  87          HH21      ARG  87   7.508  13.450   9.533
  648   2HH1  ARG  87          HH22      ARG  87   6.136  14.460   9.219
  649   1HH2  ARG  87          HH11      ARG  87   4.317  11.955   7.654
  650   2HH2  ARG  87          HH12      ARG  87   4.329  13.613   8.154
  651    H    GLN  88           HN       GLN  88   9.975  13.118   2.995
  652    HA   GLN  88           HA       GLN  88   8.119  13.818   0.992
  653   1HB   GLN  88           HB2      GLN  88  11.133  13.850   0.701
  654   2HB   GLN  88           HB1      GLN  88   9.980  14.844  -0.188
  655   1HG   GLN  88           HG2      GLN  88   9.214  15.767   2.050
  656   2HG   GLN  88           HG1      GLN  88  10.600  14.952   2.774
  657   1HE2  GLN  88          HE22      GLN  88  11.306  18.535   1.424
  658   2HE2  GLN  88          HE21      GLN  88   9.870  17.954   2.116
  659    H    VAL  89           HN       VAL  89  10.883  11.526   0.586
  660    HA   VAL  89           HA       VAL  89  10.269  10.789  -2.090
  661    HB   VAL  89           HB       VAL  89  11.680   9.232   0.089
  662   1HG1  VAL  89          HG13      VAL  89  10.923   8.273  -2.347
  663   2HG1  VAL  89          HG12      VAL  89  12.479   8.996  -2.753
  664   3HG1  VAL  89          HG11      VAL  89  12.382   7.753  -1.508
  665   1HG2  VAL  89          HG23      VAL  89  12.541  11.368  -1.830
  666   2HG2  VAL  89          HG22      VAL  89  12.748  11.310  -0.079
  667   3HG2  VAL  89          HG21      VAL  89  13.696  10.242  -1.116
  668    H    GLN  90           HN       GLN  90   9.311   9.454   1.027
  669    HA   GLN  90           HA       GLN  90   7.928   7.147   0.031
  670   1HB   GLN  90           HB2      GLN  90   7.995   8.674   2.591
  671   2HB   GLN  90           HB1      GLN  90   6.600   7.630   2.317
  672   1HG   GLN  90           HG2      GLN  90   8.295   6.322   3.443
  673   2HG   GLN  90           HG1      GLN  90   8.198   5.760   1.775
  674   1HE2  GLN  90          HE22      GLN  90  11.580   7.649   3.085
  675   2HE2  GLN  90          HE21      GLN  90  10.186   7.631   4.052
  676    H    ARG  91           HN       ARG  91   7.094  10.529   0.250
  677    HA   ARG  91           HA       ARG  91   4.226  10.133  -0.129
  678   1HB   ARG  91           HB2      ARG  91   5.831  12.260   0.705
  679   2HB   ARG  91           HB1      ARG  91   5.249  12.773  -0.879
  680   1HG   ARG  91           HG2      ARG  91   3.521  13.502   0.513
  681   2HG   ARG  91           HG1      ARG  91   2.927  11.917   0.018
  682   1HD   ARG  91           HD2      ARG  91   4.332  11.138   2.152
  683   2HD   ARG  91           HD1      ARG  91   4.007  12.795   2.659
  684    HE   ARG  91           HE       ARG  91   1.887  10.780   2.041
  685   1HH1  ARG  91          HH11      ARG  91   1.235  13.771   1.887
  686   2HH1  ARG  91          HH12      ARG  91   0.578  14.043   3.466
  687   1HH2  ARG  91          HH21      ARG  91   1.820  11.083   4.780
  688   2HH2  ARG  91          HH22      ARG  91   0.910  12.520   5.104
  689    H    ALA  92           HN       ALA  92   7.039  10.764  -2.187
  690    HA   ALA  92           HA       ALA  92   5.576  11.367  -4.595
  691   1HB   ALA  92           HB3      ALA  92   8.339  11.024  -3.800
  692   2HB   ALA  92           HB2      ALA  92   8.041  10.192  -5.324
  693   3HB   ALA  92           HB1      ALA  92   7.685  11.912  -5.175
  694    H    PHE  93           HN       PHE  93   7.104   8.367  -3.401
  695    HA   PHE  93           HA       PHE  93   6.056   6.736  -5.586
  696   1HB   PHE  93           HB2      PHE  93   8.173   6.132  -4.534
  697   2HB   PHE  93           HB1      PHE  93   7.390   6.017  -2.962
  698    HD1  PHE  93           HD2      PHE  93   5.707   4.203  -2.523
  699    HD2  PHE  93           HD1      PHE  93   8.045   4.339  -6.123
  700    HE1  PHE  93           HE2      PHE  93   5.146   1.833  -2.975
  701    HE2  PHE  93           HE1      PHE  93   7.483   1.969  -6.576
  702    HZ   PHE  93           HZ       PHE  93   6.039   0.712  -5.003
  703    H    ALA  94           HN       ALA  94   4.998   7.611  -2.381
  704    HA   ALA  94           HA       ALA  94   3.400   5.613  -1.477
  705   1HB   ALA  94           HB1      ALA  94   3.240   8.557  -1.341
  706   2HB   ALA  94           HB3      ALA  94   1.732   7.717  -0.975
  707   3HB   ALA  94           HB2      ALA  94   3.189   7.361  -0.046
  708    HA   PRO  95           HA       PRO  95  -0.321   6.648  -4.304
  709   1HB   PRO  95           HB2      PRO  95   0.060   8.374  -6.409
  710   2HB   PRO  95           HB1      PRO  95  -0.495   8.872  -4.802
  711   1HG   PRO  95           HG2      PRO  95   2.180   9.237  -6.059
  712   2HG   PRO  95           HG1      PRO  95   1.395  10.195  -4.793
  713   1HD   PRO  95           HD2      PRO  95   3.418   8.265  -4.397
  714   2HD   PRO  95           HD1      PRO  95   2.418   8.993  -3.132
  715    H    LYS  96           HN       LYS  96   2.064   4.881  -4.866
  716    HA   LYS  96           HA       LYS  96   1.452   4.212  -7.701
  717   1HB   LYS  96           HB2      LYS  96   4.087   4.111  -6.211
  718   2HB   LYS  96           HB1      LYS  96   3.815   3.210  -7.703
  719   1HG   LYS  96           HG2      LYS  96   3.152   5.358  -8.813
  720   2HG   LYS  96           HG1      LYS  96   3.611   6.212  -7.341
  721   1HD   LYS  96           HD2      LYS  96   5.907   5.387  -7.540
  722   2HD   LYS  96           HD1      LYS  96   5.466   4.451  -8.970
  723   1HE   LYS  96           HE2      LYS  96   4.935   7.407  -8.917
  724   2HE   LYS  96           HE1      LYS  96   6.562   6.823  -9.264
  725   1HZ   LYS  96           HZ2      LYS  96   4.156   5.835 -10.687
  726   2HZ   LYS  96           HZ1      LYS  96   5.080   7.149 -11.241
  727   3HZ   LYS  96           HZ3      LYS  96   5.785   5.613 -11.115
  728    H    LEU  97           HN       LEU  97   0.191   3.348  -5.200
  729    HA   LEU  97           HA       LEU  97   1.089   0.669  -4.537
  730   1HB   LEU  97           HB2      LEU  97  -1.322   0.527  -3.504
  731   2HB   LEU  97           HB1      LEU  97  -0.105   1.550  -2.756
  732    HG   LEU  97           HG       LEU  97  -1.617   2.970  -4.835
  733   1HD1  LEU  97          HD13      LEU  97  -3.086   1.332  -2.892
  734   2HD1  LEU  97          HD12      LEU  97  -3.539   3.035  -2.868
  735   3HD1  LEU  97          HD11      LEU  97  -3.654   2.114  -4.366
  736   1HD2  LEU  97          HD23      LEU  97  -0.440   3.415  -2.197
  737   2HD2  LEU  97          HD22      LEU  97  -0.741   4.566  -3.496
  738   3HD2  LEU  97          HD21      LEU  97  -2.021   4.180  -2.348
  739    H    VAL  98           HN       VAL  98  -2.149   1.502  -5.930
  740    HA   VAL  98           HA       VAL  98  -2.117  -1.114  -7.300
  741    HB   VAL  98           HB       VAL  98  -4.468  -0.782  -7.616
  742   1HG1  VAL  98          HG13      VAL  98  -3.585   0.177  -4.892
  743   2HG1  VAL  98          HG12      VAL  98  -5.178  -0.480  -5.266
  744   3HG1  VAL  98          HG11      VAL  98  -3.748  -1.503  -5.398
  745   1HG2  VAL  98          HG21      VAL  98  -3.956   2.039  -6.609
  746   2HG2  VAL  98          HG23      VAL  98  -4.540   1.582  -8.210
  747   3HG2  VAL  98          HG22      VAL  98  -5.566   1.342  -6.796
  748    H    THR  99           HN       THR  99  -0.470   1.214  -8.217
  749    HA   THR  99           HA       THR  99  -1.760   1.858 -10.793
  750    HB   THR  99           HB       THR  99  -0.080   3.547 -11.113
  751    HG1  THR  99           HG1      THR  99   1.194   2.369  -8.866
  752   1HG2  THR  99          HG22      THR  99  -0.948   3.398  -8.226
  753   2HG2  THR  99          HG21      THR  99  -0.254   4.832  -8.983
  754   3HG2  THR  99          HG23      THR  99  -1.797   4.196  -9.551
  755    H    GLU 100           HN       GLU 100  -0.181   1.755 -12.805
  756    HA   GLU 100           HA       GLU 100   0.626  -0.954 -13.137
  757   1HB   GLU 100           HB2      GLU 100   0.253   1.207 -14.786
  758   2HB   GLU 100           HB1      GLU 100   2.002   1.012 -14.855
  759   1HG   GLU 100           HG2      GLU 100   0.616  -1.560 -15.026
  760   2HG   GLU 100           HG1      GLU 100   0.117  -0.458 -16.308
  761    H    VAL 101           HN       VAL 101   2.312   1.327 -11.186
  762    HA   VAL 101           HA       VAL 101   4.970   0.253 -11.939
  763    HB   VAL 101           HB       VAL 101   4.276   2.369  -9.887
  764   1HG1  VAL 101          HG12      VAL 101   6.811   1.335 -11.136
  765   2HG1  VAL 101          HG11      VAL 101   6.728   2.992 -10.539
  766   3HG1  VAL 101          HG13      VAL 101   6.459   1.643  -9.436
  767   1HG2  VAL 101          HG23      VAL 101   4.020   2.512 -12.712
  768   2HG2  VAL 101          HG22      VAL 101   3.968   3.847 -11.565
  769   3HG2  VAL 101          HG21      VAL 101   5.498   3.385 -12.307
  770    H    GLU 102           HN       GLU 102   2.524  -0.844 -10.003
  771    HA   GLU 102           HA       GLU 102   4.470  -2.151  -8.183
  772   1HB   GLU 102           HB2      GLU 102   3.637  -0.215  -6.950
  773   2HB   GLU 102           HB1      GLU 102   1.981  -0.712  -7.246
  774   1HG   GLU 102           HG2      GLU 102   2.445  -1.495  -5.055
  775   2HG   GLU 102           HG1      GLU 102   2.631  -2.925  -6.069
  776    H    CYS 103           HN       CYS 103   0.936  -2.315  -7.710
  777    HA   CYS 103           HA       CYS 103   0.874  -4.982  -9.066
  778   1HB   CYS 103           HB2      CYS 103   0.219  -4.441  -6.151
  779   2HB   CYS 103           HB1      CYS 103  -0.194  -5.935  -6.991
  780    H    ASN 104           HN       ASN 104  -0.383  -2.517  -9.923
  781    HA   ASN 104           HA       ASN 104  -2.880  -1.804  -9.141
  782   1HB   ASN 104           HB2      ASN 104  -3.445  -1.310 -11.485
  783   2HB   ASN 104           HB1      ASN 104  -1.809  -0.823 -11.090
  784   1HD2  ASN 104          HD22      ASN 104  -0.308  -3.319 -13.210
  785   2HD2  ASN 104          HD21      ASN 104  -0.024  -2.383 -11.826
  786    H    LEU 105           HN       LEU 105  -2.493  -4.588 -11.419
  787    HA   LEU 105           HA       LEU 105  -4.078  -6.246 -11.985
  788   1HB   LEU 105           HB2      LEU 105  -4.246  -5.998  -8.982
  789   2HB   LEU 105           HB1      LEU 105  -5.162  -7.225  -9.856
  790    HG   LEU 105           HG       LEU 105  -2.326  -7.059 -10.657
  791   1HD1  LEU 105          HD12      LEU 105  -2.623  -6.679  -8.003
  792   2HD1  LEU 105          HD11      LEU 105  -2.721  -8.439  -8.052
  793   3HD1  LEU 105          HD13      LEU 105  -1.295  -7.617  -8.687
  794   1HD2  LEU 105          HD22      LEU 105  -4.467  -9.060 -10.219
  795   2HD2  LEU 105          HD21      LEU 105  -3.223  -8.998 -11.466
  796   3HD2  LEU 105          HD23      LEU 105  -2.836  -9.627  -9.865
  797    H    ALA 106           HN       ALA 106  -5.144  -3.330 -11.906
  798    HA   ALA 106           HA       ALA 106  -7.176  -2.259 -12.288
  799   1HB   ALA 106           HB1      ALA 106  -7.684  -5.090 -12.897
  800   2HB   ALA 106           HB3      ALA 106  -9.133  -4.215 -12.404
  801   3HB   ALA 106           HB2      ALA 106  -8.182  -3.646 -13.775
  802    H    THR 107           HN       THR 107  -8.238  -1.168 -10.724
  803    HA   THR 107           HA       THR 107  -8.723  -2.436  -8.086
  804    HB   THR 107           HB       THR 107  -8.893  -0.236  -7.213
  805    HG1  THR 107           HG1      THR 107 -10.137   1.107  -8.215
  806   1HG2  THR 107          HG21      THR 107  -6.662  -0.670  -8.322
  807   2HG2  THR 107          HG23      THR 107  -7.244   0.289  -9.683
  808   3HG2  THR 107          HG22      THR 107  -7.076   1.030  -8.090
  809    H    ILE 108           HN       ILE 108 -11.039  -0.837  -7.372
  810    HA   ILE 108           HA       ILE 108 -13.173  -2.465  -8.437
  811    HB   ILE 108           HB       ILE 108 -13.251  -1.395  -6.180
  812   1HG1  ILE 108          HG12      ILE 108 -15.621  -0.326  -6.583
  813   2HG1  ILE 108          HG11      ILE 108 -15.390  -0.910  -8.233
  814   1HG2  ILE 108          HG23      ILE 108 -12.278   0.831  -7.245
  815   2HG2  ILE 108          HG22      ILE 108 -13.984   1.215  -7.471
  816   3HG2  ILE 108          HG21      ILE 108 -13.357   0.908  -5.852
  817   1HD1  ILE 108          HD12      ILE 108 -14.652  -3.128  -6.911
  818   2HD1  ILE 108          HD11      ILE 108 -15.752  -2.453  -5.710
  819   3HD1  ILE 108          HD13      ILE 108 -16.334  -2.807  -7.337
  820    H    HIS 109           HN       HIS 109 -11.789   0.636  -9.224
  821    HA   HIS 109           HA       HIS 109 -13.809   1.645 -10.993
  822   1HB   HIS 109           HB2      HIS 109 -10.852   2.202 -10.685
  823   2HB   HIS 109           HB1      HIS 109 -11.914   3.126 -11.745
  824    HD1  HIS 109           HD1      HIS 109 -13.884   4.460 -10.559
  825    HD2  HIS 109           HD2      HIS 109 -11.034   2.858  -7.976
  826    HE1  HIS 109           HE1      HIS 109 -14.204   5.607  -8.329
  827    H    GLY 110           HN       GLY 110 -11.890  -1.098 -11.463
  828   1HA   GLY 110           HA2      GLY 110 -11.309  -2.339 -13.351
  829   2HA   GLY 110           HA1      GLY 110 -12.562  -1.427 -14.195
  830    H    GLY 111           HN       GLY 111  -9.864   0.178 -12.632
  831   1HA   GLY 111           HA2      GLY 111  -8.302   0.441 -15.105
  832   2HA   GLY 111           HA1      GLY 111  -9.104   1.922 -14.583
  833    HA   PRO 112           HA       PRO 112  -5.051   1.255 -12.221
  834   1HB   PRO 112           HB2      PRO 112  -3.443   2.978 -13.666
  835   2HB   PRO 112           HB1      PRO 112  -3.551   1.238 -13.975
  836   1HG   PRO 112           HG2      PRO 112  -4.666   3.510 -15.535
  837   2HG   PRO 112           HG1      PRO 112  -4.277   1.869 -16.074
  838   1HD   PRO 112           HD2      PRO 112  -6.867   2.881 -15.495
  839   2HD   PRO 112           HD1      PRO 112  -6.436   1.183 -15.784
  840    H    PHE 113           HN       PHE 113  -6.712   2.568 -10.863
  841    HA   PHE 113           HA       PHE 113  -5.500   4.875  -9.802
  842   1HB   PHE 113           HB2      PHE 113  -7.096   6.665 -10.529
  843   2HB   PHE 113           HB1      PHE 113  -6.057   6.085 -11.823
  844    HD1  PHE 113           HD2      PHE 113  -9.482   5.796 -10.365
  845    HD2  PHE 113           HD1      PHE 113  -6.965   5.077 -13.772
  846    HE1  PHE 113           HE2      PHE 113 -11.481   5.269 -11.737
  847    HE2  PHE 113           HE1      PHE 113  -8.963   4.556 -15.143
  848    HZ   PHE 113           HZ       PHE 113 -11.224   4.659 -14.134
  849    H    CYS 114           HN       CYS 114  -6.736   5.797  -7.998
  850    HA   CYS 114           HA       CYS 114  -9.446   4.934  -7.460
  851   1HB   CYS 114           HB2      CYS 114  -9.029   3.484  -5.570
  852   2HB   CYS 114           HB1      CYS 114  -8.113   2.855  -6.937
  853    H    LEU 115           HN       LEU 115 -10.347   6.228  -5.731
  854    HA   LEU 115           HA       LEU 115 -10.489   8.130  -4.385
  855   1HB   LEU 115           HB2      LEU 115  -8.599   6.318  -3.289
  856   2HB   LEU 115           HB1      LEU 115  -7.916   7.929  -3.078
  857    HG   LEU 115           HG       LEU 115 -10.721   7.107  -2.261
  858   1HD1  LEU 115          HD12      LEU 115  -8.513   6.294  -0.992
  859   2HD1  LEU 115          HD11      LEU 115  -8.607   7.918  -0.312
  860   3HD1  LEU 115          HD13      LEU 115  -9.953   6.798  -0.107
  861   1HD2  LEU 115          HD23      LEU 115  -9.814   9.627  -2.889
  862   2HD2  LEU 115          HD22      LEU 115 -11.122   9.293  -1.756
  863   3HD2  LEU 115          HD21      LEU 115  -9.484   9.555  -1.158
  864    H    SER 116           HN       SER 116  -9.024   8.368  -7.036
  865    HA   SER 116           HA       SER 116  -7.628  10.932  -6.413
  866   1HB   SER 116           HB2      SER 116  -5.871   9.364  -6.934
  867   2HB   SER 116           HB1      SER 116  -6.743   8.764  -8.341
  868    HG   SER 116           HG       SER 116  -5.186  10.243  -9.001
  869    H    LEU 117           HN       LEU 117  -8.055   9.536  -9.646
  870    HA   LEU 117           HA       LEU 117  -9.162  10.365 -11.523
  871   1HB   LEU 117           HB2      LEU 117 -11.207  10.658  -9.328
  872   2HB   LEU 117           HB1      LEU 117 -11.577  11.134 -10.984
  873    HG   LEU 117           HG       LEU 117 -10.360   8.616 -11.240
  874   1HD1  LEU 117          HD12      LEU 117 -10.706   8.378  -8.756
  875   2HD1  LEU 117          HD11      LEU 117 -12.440   8.520  -9.040
  876   3HD1  LEU 117          HD13      LEU 117 -11.545   7.160  -9.717
  877   1HD2  LEU 117          HD22      LEU 117 -13.294   9.393 -11.186
  878   2HD2  LEU 117          HD21      LEU 117 -12.227   9.443 -12.590
  879   3HD2  LEU 117          HD23      LEU 117 -12.663   7.894 -11.869
  880    H    LEU 118           HN       LEU 118 -10.776  12.751  -9.442
  881    HA   LEU 118           HA       LEU 118 -10.288  14.963 -11.067
  882   1HB   LEU 118           HB2      LEU 118 -10.903  14.682  -8.143
  883   2HB   LEU 118           HB1      LEU 118 -10.528  16.262  -8.814
  884    HG   LEU 118           HG       LEU 118 -12.416  14.712 -10.458
  885   1HD1  LEU 118          HD13      LEU 118 -12.889  15.091  -7.549
  886   2HD1  LEU 118          HD12      LEU 118 -14.226  15.520  -8.616
  887   3HD1  LEU 118          HD11      LEU 118 -13.556  13.888  -8.651
  888   1HD2  LEU 118          HD22      LEU 118 -12.046  17.488  -9.414
  889   2HD2  LEU 118          HD21      LEU 118 -12.356  16.941 -11.063
  890   3HD2  LEU 118          HD23      LEU 118 -13.675  17.009  -9.893
  891    H    GLY 119           HN       GLY 119  -7.874  13.434  -9.076
  892   1HA   GLY 119           HA2      GLY 119  -6.215  15.579  -8.343
  893   2HA   GLY 119           HA1      GLY 119  -5.628  13.960  -8.725
  894    H    ALA 120           HN       ALA 120  -4.636  13.604 -10.698
  895    HA   ALA 120           HA       ALA 120  -3.505  14.137 -12.683
  896   1HB   ALA 120           HB2      ALA 120  -6.189  15.332 -12.893
  897   2HB   ALA 120           HB1      ALA 120  -4.986  16.075 -13.948
  898   3HB   ALA 120           HB3      ALA 120  -5.301  14.342 -14.053
  899    H    GLY 121           HN       GLY 121  -1.952  15.158 -11.092
  900   1HA   GLY 121           HA2      GLY 121  -1.890  17.982 -10.615
  901   2HA   GLY 121           HA1      GLY 121  -0.510  16.895 -10.466
  902    H    GLU 122           HN       GLU 122  -1.246  16.163 -13.468
  903    HA   GLU 122           HA       GLU 122  -0.500  16.810 -15.591
  904   1HB   GLU 122           HB2      GLU 122  -1.336  19.313 -14.292
  905   2HB   GLU 122           HB1      GLU 122  -0.098  19.556 -15.523
  906   1HG   GLU 122           HG2      GLU 122  -1.467  18.282 -17.144
  907   2HG   GLU 122           HG1      GLU 122  -2.711  18.067 -15.913
   
  No H/Q in entry =         907
  Start of MODEL          11
 Raw file had  930 H/Q atoms
  Start of MODEL   11
    1   1H    SER   1           HT2      SER   1 -14.656  10.378   1.762
    2   2H    SER   1           HT1      SER   1 -12.992  10.707   1.699
    3   3H    SER   1           HT3      SER   1 -13.570   9.177   1.252
    4    HA   SER   1           HA       SER   1 -12.710   8.842   3.371
    5   1HB   SER   1           HB2      SER   1 -13.026  10.374   5.204
    6   2HB   SER   1           HB1      SER   1 -12.510  11.320   3.810
    7    HG   SER   1           HG       SER   1 -14.932  11.266   5.153
    8    H    VAL   2           HN       VAL   2 -15.996  10.266   3.162
    9    HA   VAL   2           HA       VAL   2 -17.417   8.840   5.036
   10    HB   VAL   2           HB       VAL   2 -19.372   8.938   3.477
   11   1HG1  VAL   2          HG12      VAL   2 -17.562  11.348   3.751
   12   2HG1  VAL   2          HG11      VAL   2 -19.211  11.455   3.137
   13   3HG1  VAL   2          HG13      VAL   2 -18.917  10.894   4.783
   14   1HG2  VAL   2          HG23      VAL   2 -17.151   9.354   1.544
   15   2HG2  VAL   2          HG22      VAL   2 -18.743   8.637   1.294
   16   3HG2  VAL   2          HG21      VAL   2 -18.563  10.391   1.329
   17    H    GLY   3           HN       GLY   3 -16.343   7.529   1.899
   18   1HA   GLY   3           HA2      GLY   3 -17.776   5.043   2.077
   19   2HA   GLY   3           HA1      GLY   3 -16.368   5.339   1.059
   20    H    THR   4           HN       THR   4 -17.484   4.045   4.077
   21    HA   THR   4           HA       THR   4 -14.739   3.003   4.629
   22    HB   THR   4           HB       THR   4 -15.183   4.847   6.206
   23    HG1  THR   4           HG1      THR   4 -15.085   3.528   8.147
   24   1HG2  THR   4          HG23      THR   4 -17.822   3.596   6.265
   25   2HG2  THR   4          HG22      THR   4 -17.183   3.869   7.884
   26   3HG2  THR   4          HG21      THR   4 -17.339   5.218   6.760
   27    H    SER   5           HN       SER   5 -16.414   1.488   3.193
   28    HA   SER   5           HA       SER   5 -18.020  -0.259   4.947
   29   1HB   SER   5           HB2      SER   5 -18.583   0.504   2.504
   30   2HB   SER   5           HB1      SER   5 -17.477  -0.781   2.030
   31    HG   SER   5           HG       SER   5 -20.015  -0.923   2.996
   32    H    CYS   6           HN       CYS   6 -15.863  -0.727   6.120
   33    HA   CYS   6           HA       CYS   6 -14.722  -3.239   4.997
   34   1HB   CYS   6           HB2      CYS   6 -12.920  -1.232   6.350
   35   2HB   CYS   6           HB1      CYS   6 -12.475  -2.595   5.327
   36    H    ILE   7           HN       ILE   7 -12.896  -3.724   7.079
   37    HA   ILE   7           HA       ILE   7 -14.148  -3.363   9.684
   38    HB   ILE   7           HB       ILE   7 -14.116  -6.116   9.778
   39   1HG1  ILE   7          HG12      ILE   7 -15.386  -5.364   7.119
   40   2HG1  ILE   7          HG11      ILE   7 -13.866  -6.238   7.286
   41   1HG2  ILE   7          HG22      ILE   7 -15.853  -4.208  10.404
   42   2HG2  ILE   7          HG21      ILE   7 -16.650  -4.773   8.936
   43   3HG2  ILE   7          HG23      ILE   7 -16.358  -5.893  10.267
   44   1HD1  ILE   7          HD11      ILE   7 -15.466  -7.740   8.893
   45   2HD1  ILE   7          HD13      ILE   7 -16.643  -7.184   7.701
   46   3HD1  ILE   7          HD12      ILE   7 -15.215  -8.079   7.180
   47    HA   PRO   8           HA       PRO   8  -9.973  -4.155  10.833
   48   1HB   PRO   8           HB2      PRO   8 -10.300  -4.717  13.503
   49   2HB   PRO   8           HB1      PRO   8 -10.414  -3.087  12.817
   50   1HG   PRO   8           HG2      PRO   8 -12.596  -4.873  13.780
   51   2HG   PRO   8           HG1      PRO   8 -12.556  -3.105  13.674
   52   1HD   PRO   8           HD2      PRO   8 -13.857  -4.859  11.866
   53   2HD   PRO   8           HD1      PRO   8 -13.555  -3.126  11.615
   54    H    GLY   9           HN       GLY   9  -8.724  -6.061  10.464
   55   1HA   GLY   9           HA2      GLY   9  -7.982  -8.269  10.694
   56   2HA   GLY   9           HA1      GLY   9  -9.186  -8.504  11.954
   57    H    MET  10           HN       MET  10 -10.757  -7.272   9.250
   58    HA   MET  10           HA       MET  10 -11.352  -9.986   8.152
   59   1HB   MET  10           HB2      MET  10 -13.300  -7.745   8.764
   60   2HB   MET  10           HB1      MET  10 -13.718  -9.244   7.930
   61   1HG   MET  10           HG2      MET  10 -12.392  -9.267  10.642
   62   2HG   MET  10           HG1      MET  10 -14.144  -9.158  10.476
   63   1HE   MET  10           HE2      MET  10 -15.626 -10.693   9.978
   64   2HE   MET  10           HE1      MET  10 -15.218 -11.068   8.306
   65   3HE   MET  10           HE3      MET  10 -15.436 -12.372   9.480
   66    H    ALA  11           HN       ALA  11 -10.156  -9.652   6.099
   67    HA   ALA  11           HA       ALA  11 -10.083  -8.955   3.847
   68   1HB   ALA  11           HB3      ALA  11 -12.502  -7.883   4.433
   69   2HB   ALA  11           HB2      ALA  11 -11.560  -6.405   4.252
   70   3HB   ALA  11           HB1      ALA  11 -11.650  -7.559   2.923
   71    H    ILE  12           HN       ILE  12 -10.098  -6.211   6.156
   72    HA   ILE  12           HA       ILE  12  -7.534  -5.267   4.988
   73    HB   ILE  12           HB       ILE  12  -9.357  -3.826   6.933
   74   1HG1  ILE  12          HG12      ILE  12 -10.582  -4.281   4.846
   75   2HG1  ILE  12          HG11      ILE  12 -10.189  -2.567   4.967
   76   1HG2  ILE  12          HG22      ILE  12  -6.875  -3.146   5.417
   77   2HG2  ILE  12          HG21      ILE  12  -8.078  -1.876   5.643
   78   3HG2  ILE  12          HG23      ILE  12  -7.364  -2.673   7.045
   79   1HD1  ILE  12          HD12      ILE  12  -7.984  -3.757   3.663
   80   2HD1  ILE  12          HD11      ILE  12  -9.419  -4.469   2.924
   81   3HD1  ILE  12          HD13      ILE  12  -9.213  -2.718   2.942
   82    HA   PRO  13           HA       PRO  13  -6.263  -7.174   8.958
   83   1HB   PRO  13           HB2      PRO  13  -3.749  -7.929   8.170
   84   2HB   PRO  13           HB1      PRO  13  -5.207  -8.887   7.866
   85   1HG   PRO  13           HG2      PRO  13  -3.568  -7.342   5.953
   86   2HG   PRO  13           HG1      PRO  13  -4.735  -8.634   5.632
   87   1HD   PRO  13           HD2      PRO  13  -5.116  -5.798   5.345
   88   2HD   PRO  13           HD1      PRO  13  -6.311  -7.084   5.046
   89    H    HIS  14           HN       HIS  14  -4.213  -6.876  10.328
   90    HA   HIS  14           HA       HIS  14  -3.642  -4.035  10.530
   91   1HB   HIS  14           HB2      HIS  14  -2.549  -6.327  12.199
   92   2HB   HIS  14           HB1      HIS  14  -2.700  -4.645  12.643
   93    HD1  HIS  14           HD1      HIS  14  -4.938  -3.858  13.628
   94    HD2  HIS  14           HD2      HIS  14  -5.124  -7.699  12.021
   95    HE1  HIS  14           HE1      HIS  14  -7.221  -4.793  14.248
   96    H    ASN  15           HN       ASN  15  -1.525  -3.100  10.168
   97    HA   ASN  15           HA       ASN  15   0.604  -2.903   9.240
   98   1HB   ASN  15           HB2      ASN  15   0.996  -4.584  11.167
   99   2HB   ASN  15           HB1      ASN  15   1.024  -5.819   9.909
  100   1HD2  ASN  15          HD22      ASN  15   4.015  -2.985   9.897
  101   2HD2  ASN  15          HD21      ASN  15   2.495  -2.574  10.530
  102    HA   PRO  16           HA       PRO  16  -0.861  -5.293   5.465
  103   1HB   PRO  16           HB2      PRO  16  -2.046  -3.232   4.107
  104   2HB   PRO  16           HB1      PRO  16  -2.922  -4.273   5.243
  105   1HG   PRO  16           HG2      PRO  16  -1.998  -1.458   5.602
  106   2HG   PRO  16           HG1      PRO  16  -3.366  -2.296   6.354
  107   1HD   PRO  16           HD2      PRO  16  -0.862  -1.783   7.579
  108   2HD   PRO  16           HD1      PRO  16  -2.120  -2.891   8.162
  109    H    LEU  17           HN       LEU  17   0.162  -5.252   3.465
  110    HA   LEU  17           HA       LEU  17   1.880  -4.811   1.954
  111   1HB   LEU  17           HB2      LEU  17   0.998  -1.968   2.516
  112   2HB   LEU  17           HB1      LEU  17   1.867  -2.517   1.086
  113    HG   LEU  17           HG       LEU  17  -0.884  -3.474   1.940
  114   1HD1  LEU  17          HD13      LEU  17  -0.598  -1.079   1.025
  115   2HD1  LEU  17          HD12      LEU  17  -0.173  -1.849  -0.503
  116   3HD1  LEU  17          HD11      LEU  17  -1.766  -2.118   0.207
  117   1HD2  LEU  17          HD22      LEU  17   0.846  -4.083  -0.479
  118   2HD2  LEU  17          HD21      LEU  17   0.295  -5.226   0.746
  119   3HD2  LEU  17          HD23      LEU  17  -0.864  -4.498  -0.365
  120    H    ASP  18           HN       ASP  18   2.902  -5.195   4.562
  121    HA   ASP  18           HA       ASP  18   4.746  -3.106   5.345
  122   1HB   ASP  18           HB2      ASP  18   5.902  -4.918   6.636
  123   2HB   ASP  18           HB1      ASP  18   4.161  -4.865   6.936
  124    H    SER  19           HN       SER  19   4.908  -5.796   3.109
  125    HA   SER  19           HA       SER  19   7.725  -5.740   2.563
  126   1HB   SER  19           HB2      SER  19   5.801  -7.434   1.835
  127   2HB   SER  19           HB1      SER  19   5.767  -6.415   0.399
  128    HG   SER  19           HG       SER  19   8.030  -7.725   1.517
  129    H    CYS  20           HN       CYS  20   5.043  -3.747   1.556
  130    HA   CYS  20           HA       CYS  20   6.403  -2.518  -0.698
  131   1HB   CYS  20           HB2      CYS  20   3.976  -1.557   0.820
  132   2HB   CYS  20           HB1      CYS  20   4.480  -1.053  -0.794
  133    H    ARG  21           HN       ARG  21   5.965  -1.755   2.735
  134    HA   ARG  21           HA       ARG  21   7.008   0.914   2.565
  135   1HB   ARG  21           HB2      ARG  21   6.733   1.012   4.848
  136   2HB   ARG  21           HB1      ARG  21   5.731  -0.395   4.536
  137   1HG   ARG  21           HG2      ARG  21   7.511  -1.892   5.230
  138   2HG   ARG  21           HG1      ARG  21   8.661  -0.564   5.330
  139   1HD   ARG  21           HD2      ARG  21   6.559   0.262   6.959
  140   2HD   ARG  21           HD1      ARG  21   6.706  -1.464   7.295
  141    HE   ARG  21           HE       ARG  21   9.046   0.394   7.472
  142   1HH1  ARG  21          HH21      ARG  21   8.084  -2.778   7.925
  143   2HH1  ARG  21          HH22      ARG  21   8.678  -2.916   9.547
  144   1HH2  ARG  21          HH11      ARG  21   9.390   0.461   9.861
  145   2HH2  ARG  21          HH12      ARG  21   9.415  -1.085  10.642
  146    H    TRP  22           HN       TRP  22   8.520  -2.192   3.481
  147    HA   TRP  22           HA       TRP  22  11.168  -1.107   3.677
  148   1HB   TRP  22           HB2      TRP  22  10.193  -3.933   3.421
  149   2HB   TRP  22           HB1      TRP  22  11.900  -3.548   3.319
  150    HD1  TRP  22           HD1      TRP  22   9.548  -4.500   5.809
  151    HE1  TRP  22           HE1      TRP  22  10.283  -3.708   8.166
  152    HE3  TRP  22           HE3      TRP  22  13.022  -1.208   4.427
  153    HZ2  TRP  22           HZ2      TRP  22  12.182  -1.823   9.284
  154    HZ3  TRP  22           HZ3      TRP  22  14.329   0.119   6.099
  155    HH2  TRP  22           HH2      TRP  22  13.905  -0.194   8.529
  156    H    TYR  23           HN       TYR  23   9.289  -2.412   1.034
  157    HA   TYR  23           HA       TYR  23  11.418  -2.722  -0.852
  158   1HB   TYR  23           HB2      TYR  23   9.224  -3.748  -1.227
  159   2HB   TYR  23           HB1      TYR  23   8.478  -2.157  -1.355
  160    HD1  TYR  23           HD2      TYR  23  11.849  -2.841  -2.785
  161    HD2  TYR  23           HD1      TYR  23   7.635  -2.563  -3.603
  162    HE1  TYR  23           HE2      TYR  23  12.320  -2.787  -5.209
  163    HE2  TYR  23           HE1      TYR  23   8.118  -2.519  -6.031
  164    HH   TYR  23           HH       TYR  23  10.170  -3.439  -7.515
  165    H    VAL  24           HN       VAL  24   9.501   0.071   0.192
  166    HA   VAL  24           HA       VAL  24  10.466   1.831  -1.916
  167    HB   VAL  24           HB       VAL  24   9.544   2.616   0.861
  168   1HG1  VAL  24          HG13      VAL  24  10.057   4.103  -1.713
  169   2HG1  VAL  24          HG12      VAL  24   8.943   4.751  -0.509
  170   3HG1  VAL  24          HG11      VAL  24  10.635   4.478  -0.091
  171   1HG2  VAL  24          HG21      VAL  24   8.027   1.330  -1.098
  172   2HG2  VAL  24          HG23      VAL  24   7.386   2.301   0.226
  173   3HG2  VAL  24          HG22      VAL  24   7.665   3.038  -1.351
  174    H    SER  25           HN       SER  25  11.461   0.960   1.384
  175    HA   SER  25           HA       SER  25  13.562   2.814   1.736
  176   1HB   SER  25           HB2      SER  25  13.880  -0.035   2.627
  177   2HB   SER  25           HB1      SER  25  14.358   1.444   3.453
  178    HG   SER  25           HG       SER  25  12.520   1.175   4.450
  179    H    THR  26           HN       THR  26  13.586  -0.327   0.054
  180    HA   THR  26           HA       THR  26  16.434  -0.269  -0.524
  181    HB   THR  26           HB       THR  26  14.148  -2.022  -1.453
  182    HG1  THR  26           HG1      THR  26  14.679  -2.565   0.544
  183   1HG2  THR  26          HG23      THR  26  16.984  -1.939  -2.395
  184   2HG2  THR  26          HG22      THR  26  16.249  -3.519  -2.125
  185   3HG2  THR  26          HG21      THR  26  15.523  -2.395  -3.272
  186    H    ARG  27           HN       ARG  27  13.584   0.047  -2.669
  187    HA   ARG  27           HA       ARG  27  15.021   0.633  -5.036
  188   1HB   ARG  27           HB2      ARG  27  12.584   0.031  -4.899
  189   2HB   ARG  27           HB1      ARG  27  12.266   1.666  -4.319
  190   1HG   ARG  27           HG2      ARG  27  13.152   2.622  -6.373
  191   2HG   ARG  27           HG1      ARG  27  13.646   1.025  -6.942
  192   1HD   ARG  27           HD2      ARG  27  10.796   1.211  -6.191
  193   2HD   ARG  27           HD1      ARG  27  11.254   2.218  -7.565
  194    HE   ARG  27           HE       ARG  27  12.353  -0.412  -7.890
  195   1HH1  ARG  27          HH11      ARG  27   9.248  -0.211  -7.014
  196   2HH1  ARG  27          HH12      ARG  27   8.543  -0.563  -8.555
  197   1HH2  ARG  27          HH21      ARG  27  11.514  -0.192 -10.301
  198   2HH2  ARG  27          HH22      ARG  27   9.824  -0.554 -10.414
  199    H    THR  28           HN       THR  28  14.252   2.650  -2.301
  200    HA   THR  28           HA       THR  28  14.897   5.119  -3.778
  201    HB   THR  28           HB       THR  28  14.056   6.303  -1.816
  202    HG1  THR  28           HG1      THR  28  14.146   5.397   0.041
  203   1HG2  THR  28          HG21      THR  28  12.422   3.949  -2.732
  204   2HG2  THR  28          HG23      THR  28  11.775   5.204  -1.677
  205   3HG2  THR  28          HG22      THR  28  12.341   5.618  -3.294
  206    H    CYS  29           HN       CYS  29  15.996   3.905  -0.529
  207    HA   CYS  29           HA       CYS  29  18.559   5.335  -0.998
  208   1HB   CYS  29           HB2      CYS  29  17.787   4.034   1.603
  209   2HB   CYS  29           HB1      CYS  29  18.869   5.395   1.331
  210    H    GLY  30           HN       GLY  30  17.616   2.449  -1.853
  211   1HA   GLY  30           HA2      GLY  30  18.661   0.355  -2.170
  212   2HA   GLY  30           HA1      GLY  30  20.180   1.207  -1.890
  213    H    VAL  31           HN       VAL  31  17.749   1.331   0.604
  214    HA   VAL  31           HA       VAL  31  19.401  -0.480   2.327
  215    HB   VAL  31           HB       VAL  31  17.441   1.679   3.179
  216   1HG1  VAL  31          HG11      VAL  31  19.344  -0.158   4.610
  217   2HG1  VAL  31          HG13      VAL  31  18.947   1.414   5.303
  218   3HG1  VAL  31          HG12      VAL  31  17.670   0.235   5.005
  219   1HG2  VAL  31          HG21      VAL  31  19.940   2.053   1.984
  220   2HG2  VAL  31          HG23      VAL  31  19.070   3.230   2.963
  221   3HG2  VAL  31          HG22      VAL  31  20.274   2.179   3.708
  222    H    GLY  32           HN       GLY  32  18.067  -1.702   4.011
  223   1HA   GLY  32           HA2      GLY  32  15.600  -2.310   4.502
  224   2HA   GLY  32           HA1      GLY  32  15.544  -2.620   2.764
  225    HA   PRO  33           HA       PRO  33  17.066  -6.482   5.142
  226   1HB   PRO  33           HB2      PRO  33  15.052  -8.215   4.322
  227   2HB   PRO  33           HB1      PRO  33  15.038  -7.319   5.850
  228   1HG   PRO  33           HG2      PRO  33  13.573  -6.742   3.300
  229   2HG   PRO  33           HG1      PRO  33  13.054  -6.493   4.977
  230   1HD   PRO  33           HD2      PRO  33  13.933  -4.469   3.363
  231   2HD   PRO  33           HD1      PRO  33  14.078  -4.444   5.135
  232    H    ARG  34           HN       ARG  34  17.528  -8.732   3.895
  233    HA   ARG  34           HA       ARG  34  18.563  -7.944   1.248
  234   1HB   ARG  34           HB2      ARG  34  19.087 -10.204   3.163
  235   2HB   ARG  34           HB1      ARG  34  19.586 -10.354   1.478
  236   1HG   ARG  34           HG2      ARG  34  21.444  -9.428   2.723
  237   2HG   ARG  34           HG1      ARG  34  20.778  -8.148   1.710
  238   1HD   ARG  34           HD2      ARG  34  19.804  -7.040   3.515
  239   2HD   ARG  34           HD1      ARG  34  19.742  -8.498   4.506
  240    HE   ARG  34           HE       ARG  34  21.872  -7.912   5.306
  241   1HH1  ARG  34          HH11      ARG  34  21.146  -5.300   3.570
  242   2HH1  ARG  34          HH12      ARG  34  22.716  -5.011   2.896
  243   1HH2  ARG  34          HH21      ARG  34  23.981  -8.098   3.842
  244   2HH2  ARG  34          HH22      ARG  34  24.321  -6.596   3.051
  245    H    LEU  35           HN       LEU  35  16.447  -7.875   0.275
  246    HA   LEU  35           HA       LEU  35  15.510 -10.552  -0.661
  247   1HB   LEU  35           HB2      LEU  35  13.915  -8.208   0.363
  248   2HB   LEU  35           HB1      LEU  35  13.214  -9.297  -0.835
  249    HG   LEU  35           HG       LEU  35  13.854 -11.217   0.702
  250   1HD1  LEU  35          HD12      LEU  35  14.827  -8.900   2.256
  251   2HD1  LEU  35          HD11      LEU  35  13.871 -10.053   3.186
  252   3HD1  LEU  35          HD13      LEU  35  15.314 -10.592   2.331
  253   1HD2  LEU  35          HD21      LEU  35  11.797  -9.118   1.257
  254   2HD2  LEU  35          HD23      LEU  35  11.584 -10.800   0.770
  255   3HD2  LEU  35          HD22      LEU  35  12.000 -10.411   2.440
  256    H    ALA  36           HN       ALA  36  15.591 -10.661  -2.866
  257    HA   ALA  36           HA       ALA  36  16.691  -8.648  -4.483
  258   1HB   ALA  36           HB3      ALA  36  16.301 -11.169  -4.968
  259   2HB   ALA  36           HB2      ALA  36  14.745 -10.647  -5.615
  260   3HB   ALA  36           HB1      ALA  36  16.243 -10.039  -6.320
  261    H    THR  37           HN       THR  37  15.642  -7.373  -6.248
  262    HA   THR  37           HA       THR  37  13.432  -5.809  -5.249
  263    HB   THR  37           HB       THR  37  14.155  -5.637  -8.135
  264    HG1  THR  37           HG1      THR  37  15.937  -5.103  -6.001
  265   1HG2  THR  37          HG22      THR  37  12.652  -4.027  -6.979
  266   2HG2  THR  37          HG21      THR  37  13.991  -3.589  -5.912
  267   3HG2  THR  37          HG23      THR  37  14.095  -3.251  -7.641
  268    H    GLN  38           HN       GLN  38  13.676  -8.314  -7.764
  269    HA   GLN  38           HA       GLN  38  11.007  -7.942  -8.783
  270   1HB   GLN  38           HB2      GLN  38  13.241  -9.549  -9.408
  271   2HB   GLN  38           HB1      GLN  38  11.943 -10.683  -9.047
  272   1HG   GLN  38           HG2      GLN  38  11.096 -10.301 -11.100
  273   2HG   GLN  38           HG1      GLN  38  10.767  -8.638 -10.620
  274   1HE2  GLN  38          HE22      GLN  38  13.091  -7.455 -12.977
  275   2HE2  GLN  38          HE21      GLN  38  11.592  -7.264 -12.203
  276    H    GLU  39           HN       GLU  39  12.356 -10.130  -6.339
  277    HA   GLU  39           HA       GLU  39   9.891 -11.520  -5.793
  278   1HB   GLU  39           HB2      GLU  39  12.506 -11.230  -4.311
  279   2HB   GLU  39           HB1      GLU  39  11.149 -12.121  -3.621
  280   1HG   GLU  39           HG2      GLU  39  11.298 -13.822  -5.161
  281   2HG   GLU  39           HG1      GLU  39  11.889 -12.757  -6.437
  282    H    MET  40           HN       MET  40  11.313  -8.520  -4.639
  283    HA   MET  40           HA       MET  40   9.671  -8.203  -2.277
  284   1HB   MET  40           HB2      MET  40  11.847  -6.935  -3.078
  285   2HB   MET  40           HB1      MET  40  10.698  -5.897  -3.910
  286   1HG   MET  40           HG2      MET  40  10.759  -4.791  -1.898
  287   2HG   MET  40           HG1      MET  40   9.492  -5.962  -1.521
  288   1HE   MET  40           HE2      MET  40   9.564  -5.684   0.552
  289   2HE   MET  40           HE1      MET  40  10.146  -7.129   1.374
  290   3HE   MET  40           HE3      MET  40  10.939  -5.573   1.647
  291    H    LYS  41           HN       LYS  41   9.610  -6.776  -5.510
  292    HA   LYS  41           HA       LYS  41   7.138  -5.411  -5.393
  293   1HB   LYS  41           HB2      LYS  41   8.818  -5.211  -7.236
  294   2HB   LYS  41           HB1      LYS  41   8.341  -6.811  -7.802
  295   1HG   LYS  41           HG2      LYS  41   5.919  -5.425  -7.533
  296   2HG   LYS  41           HG1      LYS  41   7.028  -4.237  -8.216
  297   1HD   LYS  41           HD2      LYS  41   7.693  -6.012  -9.917
  298   2HD   LYS  41           HD1      LYS  41   6.327  -6.961  -9.332
  299   1HE   LYS  41           HE2      LYS  41   4.759  -5.262  -9.982
  300   2HE   LYS  41           HE1      LYS  41   6.052  -4.108 -10.307
  301   1HZ   LYS  41           HZ1      LYS  41   5.860  -6.684 -11.749
  302   2HZ   LYS  41           HZ3      LYS  41   5.039  -5.299 -12.285
  303   3HZ   LYS  41           HZ2      LYS  41   6.737  -5.293 -12.182
  304    H    ALA  42           HN       ALA  42   7.863  -8.806  -6.021
  305    HA   ALA  42           HA       ALA  42   5.216  -9.578  -6.883
  306   1HB   ALA  42           HB2      ALA  42   7.522 -11.169  -5.730
  307   2HB   ALA  42           HB1      ALA  42   6.029 -11.903  -6.314
  308   3HB   ALA  42           HB3      ALA  42   7.073 -11.020  -7.429
  309    H    ARG  43           HN       ARG  43   6.867  -9.457  -3.751
  310    HA   ARG  43           HA       ARG  43   4.852 -10.783  -2.201
  311   1HB   ARG  43           HB2      ARG  43   7.214  -9.084  -1.664
  312   2HB   ARG  43           HB1      ARG  43   5.952  -8.993  -0.435
  313   1HG   ARG  43           HG2      ARG  43   6.961 -10.862   0.393
  314   2HG   ARG  43           HG1      ARG  43   6.041 -11.687  -0.866
  315   1HD   ARG  43           HD2      ARG  43   7.899 -11.678  -2.362
  316   2HD   ARG  43           HD1      ARG  43   8.797 -10.545  -1.356
  317    HE   ARG  43           HE       ARG  43   8.906 -13.362  -1.072
  318   1HH1  ARG  43          HH11      ARG  43   9.392 -10.454   0.595
  319   2HH1  ARG  43          HH12      ARG  43   9.561 -11.187   2.155
  320   1HH2  ARG  43          HH21      ARG  43   8.675 -14.354   1.063
  321   2HH2  ARG  43          HH22      ARG  43   9.155 -13.390   2.419
  322    H    CYS  44           HN       CYS  44   5.329  -7.427  -3.203
  323    HA   CYS  44           HA       CYS  44   3.135  -6.345  -1.652
  324   1HB   CYS  44           HB2      CYS  44   4.778  -5.306  -3.930
  325   2HB   CYS  44           HB1      CYS  44   3.308  -4.471  -3.421
  326    H    CYS  45           HN       CYS  45   3.422  -7.705  -4.934
  327    HA   CYS  45           HA       CYS  45   0.802  -6.793  -5.795
  328   1HB   CYS  45           HB2      CYS  45   2.466  -9.097  -6.872
  329   2HB   CYS  45           HB1      CYS  45   1.055  -8.401  -7.641
  330    H    ARG  46           HN       ARG  46   2.026  -9.565  -4.054
  331    HA   ARG  46           HA       ARG  46  -0.430 -11.120  -4.270
  332   1HB   ARG  46           HB2      ARG  46   2.020 -11.915  -3.793
  333   2HB   ARG  46           HB1      ARG  46   1.646 -11.534  -2.127
  334   1HG   ARG  46           HG2      ARG  46   1.025 -13.793  -2.302
  335   2HG   ARG  46           HG1      ARG  46  -0.499 -12.926  -2.475
  336   1HD   ARG  46           HD2      ARG  46   0.456 -13.035  -5.081
  337   2HD   ARG  46           HD1      ARG  46   0.916 -14.602  -4.416
  338    HE   ARG  46           HE       ARG  46  -1.896 -13.637  -4.150
  339   1HH1  ARG  46          HH11      ARG  46  -1.964 -16.167  -3.127
  340   2HH1  ARG  46          HH12      ARG  46  -2.035 -17.267  -4.463
  341   1HH2  ARG  46          HH21      ARG  46  -0.934 -14.935  -6.781
  342   2HH2  ARG  46          HH22      ARG  46  -1.452 -16.569  -6.532
  343    H    GLN  47           HN       GLN  47   1.007  -8.855  -1.957
  344    HA   GLN  47           HA       GLN  47  -0.957  -9.344   0.140
  345   1HB   GLN  47           HB2      GLN  47   0.980  -7.064  -0.361
  346   2HB   GLN  47           HB1      GLN  47  -0.065  -7.154   1.055
  347   1HG   GLN  47           HG2      GLN  47   1.276  -9.686   0.714
  348   2HG   GLN  47           HG1      GLN  47   2.470  -8.390   0.681
  349   1HE2  GLN  47          HE22      GLN  47   2.403  -8.314   4.199
  350   2HE2  GLN  47          HE21      GLN  47   3.332  -8.424   2.784
  351    H    LEU  48           HN       LEU  48  -0.608  -7.065  -2.506
  352    HA   LEU  48           HA       LEU  48  -2.869  -5.434  -1.847
  353   1HB   LEU  48           HB2      LEU  48  -1.292  -4.398  -3.261
  354   2HB   LEU  48           HB1      LEU  48  -1.153  -5.785  -4.324
  355    HG   LEU  48           HG       LEU  48  -3.789  -4.351  -4.090
  356   1HD1  LEU  48          HD13      LEU  48  -1.269  -3.373  -5.366
  357   2HD1  LEU  48          HD12      LEU  48  -2.780  -3.128  -6.240
  358   3HD1  LEU  48          HD11      LEU  48  -2.578  -2.455  -4.622
  359   1HD2  LEU  48          HD23      LEU  48  -2.401  -6.216  -5.956
  360   2HD2  LEU  48          HD22      LEU  48  -4.104  -6.143  -5.501
  361   3HD2  LEU  48          HD21      LEU  48  -3.459  -5.009  -6.688
  362    H    GLU  49           HN       GLU  49  -2.473  -7.956  -4.424
  363    HA   GLU  49           HA       GLU  49  -5.193  -8.181  -5.178
  364   1HB   GLU  49           HB2      GLU  49  -2.964  -9.388  -6.026
  365   2HB   GLU  49           HB1      GLU  49  -3.506 -10.667  -4.937
  366   1HG   GLU  49           HG2      GLU  49  -5.469  -9.436  -6.843
  367   2HG   GLU  49           HG1      GLU  49  -4.329 -10.642  -7.441
  368    H    ALA  50           HN       ALA  50  -3.483  -9.311  -2.292
  369    HA   ALA  50           HA       ALA  50  -5.367 -11.250  -1.333
  370   1HB   ALA  50           HB2      ALA  50  -2.980 -10.066  -0.394
  371   2HB   ALA  50           HB1      ALA  50  -4.196  -9.691   0.825
  372   3HB   ALA  50           HB3      ALA  50  -3.886 -11.368   0.374
  373    H    ILE  51           HN       ILE  51  -4.956  -7.833  -0.326
  374    HA   ILE  51           HA       ILE  51  -7.429  -7.534   1.062
  375    HB   ILE  51           HB       ILE  51  -5.985  -5.384  -0.526
  376   1HG1  ILE  51          HG12      ILE  51  -4.382  -6.490   0.976
  377   2HG1  ILE  51          HG11      ILE  51  -4.784  -4.893   1.597
  378   1HG2  ILE  51          HG22      ILE  51  -8.391  -5.242   0.761
  379   2HG2  ILE  51          HG21      ILE  51  -7.288  -4.767   2.052
  380   3HG2  ILE  51          HG23      ILE  51  -7.307  -3.871   0.533
  381   1HD1  ILE  51          HD11      ILE  51  -6.106  -7.458   2.522
  382   2HD1  ILE  51          HD13      ILE  51  -4.781  -6.660   3.370
  383   3HD1  ILE  51          HD12      ILE  51  -6.340  -5.849   3.203
  384    HA   PRO  52           HA       PRO  52  -9.747  -8.296  -2.778
  385   1HB   PRO  52           HB2      PRO  52 -12.259  -8.112  -1.621
  386   2HB   PRO  52           HB1      PRO  52 -11.274  -9.584  -1.694
  387   1HG   PRO  52           HG2      PRO  52 -11.642  -7.670   0.599
  388   2HG   PRO  52           HG1      PRO  52 -11.479  -9.437   0.629
  389   1HD   PRO  52           HD2      PRO  52  -9.399  -7.774   1.262
  390   2HD   PRO  52           HD1      PRO  52  -9.148  -9.359   0.494
  391    H    ALA  53           HN       ALA  53 -10.895  -7.084  -4.242
  392    HA   ALA  53           HA       ALA  53 -10.408  -4.449  -4.650
  393   1HB   ALA  53           HB3      ALA  53 -12.827  -6.065  -5.386
  394   2HB   ALA  53           HB2      ALA  53 -12.664  -4.385  -5.897
  395   3HB   ALA  53           HB1      ALA  53 -11.467  -5.579  -6.397
  396    H    TYR  54           HN       TYR  54 -12.915  -5.661  -2.486
  397    HA   TYR  54           HA       TYR  54 -14.104  -3.046  -1.980
  398   1HB   TYR  54           HB2      TYR  54 -14.171  -5.568  -0.280
  399   2HB   TYR  54           HB1      TYR  54 -15.235  -4.172  -0.107
  400    HD1  TYR  54           HD2      TYR  54 -16.402  -3.439  -2.431
  401    HD2  TYR  54           HD1      TYR  54 -15.003  -7.386  -1.471
  402    HE1  TYR  54           HE2      TYR  54 -17.935  -4.396  -4.130
  403    HE2  TYR  54           HE1      TYR  54 -16.536  -8.343  -3.169
  404    HH   TYR  54           HH       TYR  54 -17.732  -7.685  -5.143
  405    H    CYS  55           HN       CYS  55 -12.844  -1.504  -1.061
  406    HA   CYS  55           HA       CYS  55 -11.475  -0.427   0.527
  407   1HB   CYS  55           HB2      CYS  55 -11.186  -3.099   1.935
  408   2HB   CYS  55           HB1      CYS  55 -10.891  -1.496   2.592
  409    H    ARG  56           HN       ARG  56 -10.495  -2.389  -1.857
  410    HA   ARG  56           HA       ARG  56  -8.005  -3.516  -1.357
  411   1HB   ARG  56           HB2      ARG  56  -9.377  -2.487  -3.699
  412   2HB   ARG  56           HB1      ARG  56  -7.662  -2.109  -3.802
  413   1HG   ARG  56           HG2      ARG  56  -7.157  -4.522  -3.294
  414   2HG   ARG  56           HG1      ARG  56  -8.882  -4.852  -3.396
  415   1HD   ARG  56           HD2      ARG  56  -8.877  -3.929  -5.737
  416   2HD   ARG  56           HD1      ARG  56  -7.140  -3.733  -5.619
  417    HE   ARG  56           HE       ARG  56  -7.630  -5.936  -6.710
  418   1HH1  ARG  56          HH21      ARG  56  -6.042  -6.240  -4.212
  419   2HH1  ARG  56          HH22      ARG  56  -6.759  -7.660  -3.534
  420   1HH2  ARG  56          HH11      ARG  56  -9.504  -7.544  -5.627
  421   2HH2  ARG  56          HH12      ARG  56  -8.709  -8.435  -4.376
  422    H    CYS  57           HN       CYS  57  -7.790  -0.367  -3.052
  423    HA   CYS  57           HA       CYS  57  -5.304   0.434  -2.215
  424   1HB   CYS  57           HB2      CYS  57  -7.775   2.040  -2.750
  425   2HB   CYS  57           HB1      CYS  57  -6.274   2.846  -2.285
  426    H    GLU  58           HN       GLU  58  -8.179   0.848  -0.044
  427    HA   GLU  58           HA       GLU  58  -7.346   2.504   1.922
  428   1HB   GLU  58           HB2      GLU  58  -9.281   0.641   1.802
  429   2HB   GLU  58           HB1      GLU  58  -8.199  -0.153   2.944
  430   1HG   GLU  58           HG2      GLU  58  -9.006   1.173   4.576
  431   2HG   GLU  58           HG1      GLU  58  -8.308   2.564   3.748
  432    H    ALA  59           HN       ALA  59  -6.063  -0.850   1.628
  433    HA   ALA  59           HA       ALA  59  -4.528  -1.149   3.887
  434   1HB   ALA  59           HB1      ALA  59  -4.283  -2.047   1.099
  435   2HB   ALA  59           HB3      ALA  59  -2.773  -2.086   2.009
  436   3HB   ALA  59           HB2      ALA  59  -4.179  -2.976   2.593
  437    H    VAL  60           HN       VAL  60  -3.300   0.479   0.962
  438    HA   VAL  60           HA       VAL  60  -0.810   1.318   2.049
  439    HB   VAL  60           HB       VAL  60  -2.519   2.655  -0.080
  440   1HG1  VAL  60          HG12      VAL  60   0.161   3.294   1.062
  441   2HG1  VAL  60          HG11      VAL  60   0.024   3.352  -0.695
  442   3HG1  VAL  60          HG13      VAL  60  -1.020   4.363   0.307
  443   1HG2  VAL  60          HG23      VAL  60  -0.193   0.711  -0.199
  444   2HG2  VAL  60          HG22      VAL  60  -1.867   0.366  -0.639
  445   3HG2  VAL  60          HG21      VAL  60  -0.916   1.498  -1.604
  446    H    ARG  61           HN       ARG  61  -3.998   2.906   2.056
  447    HA   ARG  61           HA       ARG  61  -3.246   5.359   3.293
  448   1HB   ARG  61           HB2      ARG  61  -5.580   4.364   2.356
  449   2HB   ARG  61           HB1      ARG  61  -5.849   4.161   4.087
  450   1HG   ARG  61           HG2      ARG  61  -6.662   6.358   3.407
  451   2HG   ARG  61           HG1      ARG  61  -5.236   6.558   4.424
  452   1HD   ARG  61           HD2      ARG  61  -4.192   7.674   2.773
  453   2HD   ARG  61           HD1      ARG  61  -4.384   6.295   1.689
  454    HE   ARG  61           HE       ARG  61  -6.089   7.512   0.627
  455   1HH1  ARG  61          HH11      ARG  61  -8.383   7.881   1.757
  456   2HH1  ARG  61          HH12      ARG  61  -8.416   9.392   2.604
  457   1HH2  ARG  61          HH21      ARG  61  -4.966   9.747   2.644
  458   2HH2  ARG  61          HH22      ARG  61  -6.482  10.449   3.106
  459    H    ILE  62           HN       ILE  62  -3.784   2.168   4.646
  460    HA   ILE  62           HA       ILE  62  -3.825   3.049   7.423
  461    HB   ILE  62           HB       ILE  62  -3.775   0.363   6.027
  462   1HG1  ILE  62          HG12      ILE  62  -5.820   0.332   7.822
  463   2HG1  ILE  62          HG11      ILE  62  -5.705   2.063   7.505
  464   1HG2  ILE  62          HG21      ILE  62  -3.112   0.923   8.904
  465   2HG2  ILE  62          HG23      ILE  62  -4.083  -0.499   8.524
  466   3HG2  ILE  62          HG22      ILE  62  -2.470  -0.322   7.834
  467   1HD1  ILE  62          HD11      ILE  62  -5.578   0.283   5.129
  468   2HD1  ILE  62          HD13      ILE  62  -7.136   0.382   5.948
  469   3HD1  ILE  62          HD12      ILE  62  -6.374   1.845   5.327
  470    H    LEU  63           HN       LEU  63  -1.345   1.937   5.165
  471    HA   LEU  63           HA       LEU  63   0.609   1.530   7.297
  472   1HB   LEU  63           HB2      LEU  63   0.663   0.418   4.982
  473   2HB   LEU  63           HB1      LEU  63   1.277   1.960   4.383
  474    HG   LEU  63           HG       LEU  63   2.918   1.651   6.489
  475   1HD1  LEU  63          HD12      LEU  63   1.748  -0.561   6.990
  476   2HD1  LEU  63          HD11      LEU  63   2.503  -1.184   5.523
  477   3HD1  LEU  63          HD13      LEU  63   3.505  -0.632   6.865
  478   1HD2  LEU  63          HD22      LEU  63   3.214   1.691   3.810
  479   2HD2  LEU  63          HD21      LEU  63   4.549   1.326   4.904
  480   3HD2  LEU  63          HD23      LEU  63   3.669   0.015   4.116
  481    H    MET  64           HN       MET  64  -0.044   4.125   4.991
  482    HA   MET  64           HA       MET  64   2.168   5.740   5.975
  483   1HB   MET  64           HB2      MET  64   1.138   5.816   3.617
  484   2HB   MET  64           HB1      MET  64  -0.189   6.732   4.333
  485   1HG   MET  64           HG2      MET  64   2.342   7.821   5.220
  486   2HG   MET  64           HG1      MET  64   2.303   7.737   3.459
  487   1HE   MET  64           HE1      MET  64   1.393   8.994   6.561
  488   2HE   MET  64           HE3      MET  64   0.625  10.560   6.273
  489   3HE   MET  64           HE2      MET  64  -0.364   9.121   6.505
  490    H    ASP  65           HN       ASP  65  -1.425   5.993   6.210
  491    HA   ASP  65           HA       ASP  65  -1.157   8.124   8.206
  492   1HB   ASP  65           HB2      ASP  65  -3.594   6.870   6.896
  493   2HB   ASP  65           HB1      ASP  65  -3.746   7.843   8.357
  494    H    GLY  66           HN       GLY  66  -1.454   4.667   8.303
  495   1HA   GLY  66           HA2      GLY  66  -1.146   3.320  10.250
  496   2HA   GLY  66           HA1      GLY  66  -1.355   4.759  11.251
  497    H    VAL  67           HN       VAL  67  -2.697   2.082  11.378
  498    HA   VAL  67           HA       VAL  67  -5.541   2.970  11.083
  499    HB   VAL  67           HB       VAL  67  -5.040   1.124   9.582
  500   1HG1  VAL  67          HG12      VAL  67  -4.161  -0.338  12.087
  501   2HG1  VAL  67          HG11      VAL  67  -4.286  -1.057  10.481
  502   3HG1  VAL  67          HG13      VAL  67  -3.099   0.211  10.790
  503   1HG2  VAL  67          HG22      VAL  67  -7.255   1.169  10.733
  504   2HG2  VAL  67          HG21      VAL  67  -6.741  -0.463  10.307
  505   3HG2  VAL  67          HG23      VAL  67  -6.596   0.100  11.972
  506    H    VAL  68           HN       VAL  68  -7.024   2.109  12.710
  507    HA   VAL  68           HA       VAL  68  -5.674   1.719  15.340
  508    HB   VAL  68           HB       VAL  68  -8.280   3.115  14.666
  509   1HG1  VAL  68          HG13      VAL  68  -7.039   2.524  17.380
  510   2HG1  VAL  68          HG12      VAL  68  -8.430   3.574  17.109
  511   3HG1  VAL  68          HG11      VAL  68  -8.549   1.848  16.767
  512   1HG2  VAL  68          HG21      VAL  68  -5.514   3.911  15.482
  513   2HG2  VAL  68          HG23      VAL  68  -6.596   4.671  14.315
  514   3HG2  VAL  68          HG22      VAL  68  -6.866   4.896  16.044
  515    H    THR  69           HN       THR  69  -6.796   0.422  16.867
  516    HA   THR  69           HA       THR  69  -8.383  -1.772  15.650
  517    HB   THR  69           HB       THR  69  -7.339  -3.206  17.438
  518    HG1  THR  69           HG1      THR  69  -6.007  -2.329  18.800
  519   1HG2  THR  69          HG21      THR  69  -6.482  -2.992  15.060
  520   2HG2  THR  69          HG23      THR  69  -5.302  -1.832  15.672
  521   3HG2  THR  69          HG22      THR  69  -5.276  -3.501  16.241
  522    H    SER  70           HN       SER  70  -9.837  -2.847  17.095
  523    HA   SER  70           HA       SER  70 -11.600  -1.085  18.450
  524   1HB   SER  70           HB2      SER  70 -12.316  -3.205  17.415
  525   2HB   SER  70           HB1      SER  70 -11.393  -4.097  18.621
  526    HG   SER  70           HG       SER  70 -13.856  -3.338  18.833
  527    H    SER  71           HN       SER  71  -8.990  -3.076  19.561
  528    HA   SER  71           HA       SER  71  -9.580  -2.986  22.379
  529   1HB   SER  71           HB2      SER  71  -7.046  -3.487  22.540
  530   2HB   SER  71           HB1      SER  71  -8.068  -4.674  21.738
  531    HG   SER  71           HG       SER  71  -7.222  -4.143  19.851
  532    H    GLY  72           HN       GLY  72  -8.316  -0.632  20.190
  533   1HA   GLY  72           HA2      GLY  72  -8.149   1.723  20.861
  534   2HA   GLY  72           HA1      GLY  72  -7.727   1.170  22.482
  535    H    GLN  73           HN       GLN  73  -6.156  -0.676  20.023
  536    HA   GLN  73           HA       GLN  73  -3.593   0.734  20.632
  537   1HB   GLN  73           HB2      GLN  73  -4.096  -2.018  19.453
  538   2HB   GLN  73           HB1      GLN  73  -2.520  -1.355  19.882
  539   1HG   GLN  73           HG2      GLN  73  -4.338  -1.108  22.128
  540   2HG   GLN  73           HG1      GLN  73  -4.295  -2.777  21.569
  541   1HE2  GLN  73          HE22      GLN  73  -1.454  -3.010  23.711
  542   2HE2  GLN  73          HE21      GLN  73  -3.108  -3.368  23.561
  543    H    HIS  74           HN       HIS  74  -2.091   1.135  18.819
  544    HA   HIS  74           HA       HIS  74  -3.506   1.470  16.202
  545   1HB   HIS  74           HB2      HIS  74  -1.404   3.104  17.600
  546   2HB   HIS  74           HB1      HIS  74  -1.607   3.200  15.869
  547    HD1  HIS  74           HD1      HIS  74  -2.664   5.468  15.625
  548    HD2  HIS  74           HD2      HIS  74  -4.628   3.124  18.456
  549    HE1  HIS  74           HE1      HIS  74  -4.734   6.754  16.306
  550    H    GLU  75           HN       GLU  75  -2.176   1.128  14.302
  551    HA   GLU  75           HA       GLU  75   0.410  -0.242  14.665
  552   1HB   GLU  75           HB2      GLU  75  -1.849  -1.505  13.095
  553   2HB   GLU  75           HB1      GLU  75  -0.238  -2.175  13.357
  554   1HG   GLU  75           HG2      GLU  75  -0.734  -2.067  15.855
  555   2HG   GLU  75           HG1      GLU  75  -2.408  -1.729  15.416
  556    H    GLY  76           HN       GLY  76   1.010  -1.011  12.211
  557   1HA   GLY  76           HA2      GLY  76   1.754  -0.238  10.124
  558   2HA   GLY  76           HA1      GLY  76   0.235   0.661  10.032
  559    H    ARG  77           HN       ARG  77   1.219   2.544   9.194
  560    HA   ARG  77           HA       ARG  77   2.299   4.645   9.307
  561   1HB   ARG  77           HB2      ARG  77   0.778   4.603  11.399
  562   2HB   ARG  77           HB1      ARG  77   2.257   4.283  12.304
  563   1HG   ARG  77           HG2      ARG  77   3.062   6.396  11.996
  564   2HG   ARG  77           HG1      ARG  77   2.423   6.508  10.356
  565   1HD   ARG  77           HD2      ARG  77   0.093   6.547  11.597
  566   2HD   ARG  77           HD1      ARG  77   1.064   7.102  12.961
  567    HE   ARG  77           HE       ARG  77   1.632   8.564  10.507
  568   1HH1  ARG  77          HH11      ARG  77  -1.296   8.268  12.012
  569   2HH1  ARG  77          HH12      ARG  77  -1.410   9.910  12.553
  570   1HH2  ARG  77          HH21      ARG  77   1.870  10.684  11.728
  571   2HH2  ARG  77          HH22      ARG  77   0.383  11.280  12.388
  572    H    LEU  78           HN       LEU  78   3.936   2.099   9.339
  573    HA   LEU  78           HA       LEU  78   6.247   2.728  11.021
  574   1HB   LEU  78           HB2      LEU  78   5.303   0.429   9.422
  575   2HB   LEU  78           HB1      LEU  78   7.051   0.651   9.437
  576    HG   LEU  78           HG       LEU  78   7.018   0.722  11.912
  577   1HD1  LEU  78          HD13      LEU  78   4.054   0.210  11.522
  578   2HD1  LEU  78          HD12      LEU  78   4.893   0.029  13.064
  579   3HD1  LEU  78          HD11      LEU  78   4.795   1.613  12.293
  580   1HD2  LEU  78          HD21      LEU  78   6.771  -1.503  10.294
  581   2HD2  LEU  78          HD23      LEU  78   7.154  -1.545  12.014
  582   3HD2  LEU  78          HD22      LEU  78   5.489  -1.762  11.478
  583    H    LEU  79           HN       LEU  79   5.236   3.557   7.801
  584    HA   LEU  79           HA       LEU  79   7.979   3.793   6.758
  585   1HB   LEU  79           HB2      LEU  79   6.892   4.952   4.829
  586   2HB   LEU  79           HB1      LEU  79   6.210   3.360   5.150
  587    HG   LEU  79           HG       LEU  79   4.697   5.131   6.739
  588   1HD1  LEU  79          HD11      LEU  79   5.704   6.451   4.309
  589   2HD1  LEU  79          HD13      LEU  79   3.944   6.454   4.431
  590   3HD1  LEU  79          HD12      LEU  79   4.919   7.147   5.725
  591   1HD2  LEU  79          HD22      LEU  79   4.336   3.423   4.339
  592   2HD2  LEU  79          HD21      LEU  79   3.416   3.463   5.842
  593   3HD2  LEU  79          HD23      LEU  79   3.098   4.656   4.583
  594    H    GLN  80           HN       GLN  80   8.905   5.078   8.426
  595    HA   GLN  80           HA       GLN  80   8.183   7.985   8.312
  596   1HB   GLN  80           HB2      GLN  80   9.240   6.530  10.750
  597   2HB   GLN  80           HB1      GLN  80   8.657   8.193  10.666
  598   1HG   GLN  80           HG2      GLN  80   6.404   7.279   9.979
  599   2HG   GLN  80           HG1      GLN  80   7.022   5.665  10.328
  600   1HE2  GLN  80          HE22      GLN  80   7.324   6.416  13.908
  601   2HE2  GLN  80          HE21      GLN  80   8.250   5.709  12.673
  602    H    ASP  81           HN       ASP  81  10.147   9.093   9.620
  603    HA   ASP  81           HA       ASP  81  12.296   9.308   7.862
  604   1HB   ASP  81           HB2      ASP  81  12.203   9.828  10.851
  605   2HB   ASP  81           HB1      ASP  81  13.548  10.295   9.807
  606    H    LEU  82           HN       LEU  82  13.349   7.554   7.208
  607    HA   LEU  82           HA       LEU  82  14.550   5.623   9.122
  608   1HB   LEU  82           HB2      LEU  82  13.963   5.619   6.164
  609   2HB   LEU  82           HB1      LEU  82  15.155   4.506   6.809
  610    HG   LEU  82           HG       LEU  82  12.366   4.737   7.952
  611   1HD1  LEU  82          HD12      LEU  82  12.734   3.988   5.401
  612   2HD1  LEU  82          HD11      LEU  82  13.134   2.458   6.185
  613   3HD1  LEU  82          HD13      LEU  82  11.552   3.194   6.443
  614   1HD2  LEU  82          HD22      LEU  82  14.632   2.740   8.155
  615   2HD2  LEU  82          HD21      LEU  82  13.872   3.649   9.461
  616   3HD2  LEU  82          HD23      LEU  82  12.987   2.352   8.656
  617    HA   PRO  83           HA       PRO  83  18.563   7.364   8.558
  618   1HB   PRO  83           HB2      PRO  83  20.216   5.223   8.002
  619   2HB   PRO  83           HB1      PRO  83  19.610   5.624   9.618
  620   1HG   PRO  83           HG2      PRO  83  18.702   3.476   7.743
  621   2HG   PRO  83           HG1      PRO  83  18.696   3.496   9.516
  622   1HD   PRO  83           HD2      PRO  83  16.449   3.911   7.937
  623   2HD   PRO  83           HD1      PRO  83  16.599   4.450   9.617
  624    H    GLY  84           HN       GLY  84  18.442   8.647   6.773
  625   1HA   GLY  84           HA2      GLY  84  19.372   9.334   4.687
  626   2HA   GLY  84           HA1      GLY  84  19.657   7.644   4.274
  627    H    CYS  85           HN       CYS  85  16.466   8.229   5.474
  628    HA   CYS  85           HA       CYS  85  15.358   8.703   2.756
  629   1HB   CYS  85           HB2      CYS  85  14.173   6.494   4.423
  630   2HB   CYS  85           HB1      CYS  85  13.998   6.789   2.700
  631    HA   PRO  86           HA       PRO  86  13.076  11.033   6.025
  632   1HB   PRO  86           HB2      PRO  86  12.571  13.247   4.451
  633   2HB   PRO  86           HB1      PRO  86  14.018  13.049   5.433
  634   1HG   PRO  86           HG2      PRO  86  13.704  12.806   2.486
  635   2HG   PRO  86           HG1      PRO  86  15.147  13.224   3.425
  636   1HD   PRO  86           HD2      PRO  86  14.619  10.722   2.250
  637   2HD   PRO  86           HD1      PRO  86  15.857  11.041   3.483
  638    H    ARG  87           HN       ARG  87  10.782  11.726   6.103
  639    HA   ARG  87           HA       ARG  87   8.879  10.133   4.817
  640   1HB   ARG  87           HB2      ARG  87   8.575  13.016   5.715
  641   2HB   ARG  87           HB1      ARG  87   7.256  11.893   5.420
  642   1HG   ARG  87           HG2      ARG  87   9.382  11.000   7.286
  643   2HG   ARG  87           HG1      ARG  87   8.306  12.278   7.853
  644   1HD   ARG  87           HD2      ARG  87   6.417  10.703   6.909
  645   2HD   ARG  87           HD1      ARG  87   7.644   9.451   7.087
  646    HE   ARG  87           HE       ARG  87   7.333   9.583   9.421
  647   1HH1  ARG  87          HH11      ARG  87   7.847  11.674  10.829
  648   2HH1  ARG  87          HH12      ARG  87   6.459  12.705  10.943
  649   1HH2  ARG  87          HH21      ARG  87   4.815  11.231   8.268
  650   2HH2  ARG  87          HH22      ARG  87   4.742  12.454   9.492
  651    H    GLN  88           HN       GLN  88  10.474  13.052   3.743
  652    HA   GLN  88           HA       GLN  88   8.744  13.941   1.688
  653   1HB   GLN  88           HB2      GLN  88  10.753  15.156   2.522
  654   2HB   GLN  88           HB1      GLN  88  11.774  14.007   1.659
  655   1HG   GLN  88           HG2      GLN  88  11.064  14.764  -0.452
  656   2HG   GLN  88           HG1      GLN  88   9.603  15.504   0.199
  657   1HE2  GLN  88          HE22      GLN  88  11.411  18.553  -0.100
  658   2HE2  GLN  88          HE21      GLN  88  10.167  17.599  -0.750
  659    H    VAL  89           HN       VAL  89  11.649  11.869   1.183
  660    HA   VAL  89           HA       VAL  89  11.171  11.319  -1.552
  661    HB   VAL  89           HB       VAL  89  12.611   9.677   0.542
  662   1HG1  VAL  89          HG11      VAL  89  12.882   9.763  -2.477
  663   2HG1  VAL  89          HG13      VAL  89  13.932   8.856  -1.389
  664   3HG1  VAL  89          HG12      VAL  89  12.230   8.417  -1.542
  665   1HG2  VAL  89          HG22      VAL  89  13.319  12.069  -1.100
  666   2HG2  VAL  89          HG21      VAL  89  13.573  11.782   0.622
  667   3HG2  VAL  89          HG23      VAL  89  14.572  10.946  -0.567
  668    H    GLN  90           HN       GLN  90  10.193   9.602   1.377
  669    HA   GLN  90           HA       GLN  90   9.030   7.324   0.058
  670   1HB   GLN  90           HB2      GLN  90   9.223   8.368   2.763
  671   2HB   GLN  90           HB1      GLN  90   7.594   7.769   2.456
  672   1HG   GLN  90           HG2      GLN  90   8.647   5.817   3.142
  673   2HG   GLN  90           HG1      GLN  90   8.885   5.719   1.397
  674   1HE2  GLN  90          HE22      GLN  90  12.104   6.651   3.785
  675   2HE2  GLN  90          HE21      GLN  90  10.534   6.917   4.370
  676    H    ARG  91           HN       ARG  91   7.921  10.576   0.668
  677    HA   ARG  91           HA       ARG  91   5.108  10.006   0.136
  678   1HB   ARG  91           HB2      ARG  91   6.535  12.141   1.271
  679   2HB   ARG  91           HB1      ARG  91   5.869  12.799  -0.224
  680   1HG   ARG  91           HG2      ARG  91   4.223  13.126   1.514
  681   2HG   ARG  91           HG1      ARG  91   3.630  11.842   0.459
  682   1HD   ARG  91           HD2      ARG  91   4.639  10.171   2.056
  683   2HD   ARG  91           HD1      ARG  91   4.987  11.510   3.147
  684    HE   ARG  91           HE       ARG  91   2.226  10.674   2.355
  685   1HH1  ARG  91          HH21      ARG  91   1.756  13.217   3.346
  686   2HH1  ARG  91          HH22      ARG  91   1.819  13.097   5.072
  687   1HH2  ARG  91          HH11      ARG  91   3.501  10.066   5.064
  688   2HH2  ARG  91          HH12      ARG  91   2.807  11.313   6.045
  689    H    ALA  92           HN       ALA  92   7.906  11.048  -1.733
  690    HA   ALA  92           HA       ALA  92   6.431  11.863  -4.089
  691   1HB   ALA  92           HB2      ALA  92   8.786  12.569  -3.547
  692   2HB   ALA  92           HB1      ALA  92   9.309  10.925  -3.915
  693   3HB   ALA  92           HB3      ALA  92   8.594  11.928  -5.178
  694    H    PHE  93           HN       PHE  93   8.256   8.912  -3.245
  695    HA   PHE  93           HA       PHE  93   7.461   7.516  -5.674
  696   1HB   PHE  93           HB2      PHE  93   9.616   7.023  -4.634
  697   2HB   PHE  93           HB1      PHE  93   8.815   6.533  -3.141
  698    HD1  PHE  93           HD2      PHE  93   8.706   5.779  -6.817
  699    HD2  PHE  93           HD1      PHE  93   8.400   4.258  -2.813
  700    HE1  PHE  93           HE2      PHE  93   8.442   3.482  -7.711
  701    HE2  PHE  93           HE1      PHE  93   8.134   1.961  -3.706
  702    HZ   PHE  93           HZ       PHE  93   8.156   1.571  -6.157
  703    H    ALA  94           HN       ALA  94   6.188   7.783  -2.442
  704    HA   ALA  94           HA       ALA  94   4.828   5.426  -2.028
  705   1HB   ALA  94           HB2      ALA  94   4.282   8.249  -1.264
  706   2HB   ALA  94           HB1      ALA  94   3.017   7.057  -0.963
  707   3HB   ALA  94           HB3      ALA  94   4.615   6.846  -0.248
  708    HA   PRO  95           HA       PRO  95   0.872   6.892  -4.328
  709   1HB   PRO  95           HB2      PRO  95   1.161   8.805  -6.292
  710   2HB   PRO  95           HB1      PRO  95   0.686   9.138  -4.618
  711   1HG   PRO  95           HG2      PRO  95   3.328   9.567  -5.946
  712   2HG   PRO  95           HG1      PRO  95   2.586  10.457  -4.605
  713   1HD   PRO  95           HD2      PRO  95   4.605   8.551  -4.329
  714   2HD   PRO  95           HD1      PRO  95   3.536   9.081  -3.019
  715    H    LYS  96           HN       LYS  96   1.391   4.765  -5.092
  716    HA   LYS  96           HA       LYS  96   1.121   4.397  -7.897
  717   1HB   LYS  96           HB2      LYS  96   3.455   3.099  -8.066
  718   2HB   LYS  96           HB1      LYS  96   3.319   4.803  -8.473
  719   1HG   LYS  96           HG2      LYS  96   5.285   4.336  -7.035
  720   2HG   LYS  96           HG1      LYS  96   4.156   5.433  -6.262
  721   1HD   LYS  96           HD2      LYS  96   4.651   3.935  -4.532
  722   2HD   LYS  96           HD1      LYS  96   3.181   3.246  -5.179
  723   1HE   LYS  96           HE2      LYS  96   4.297   1.477  -6.196
  724   2HE   LYS  96           HE1      LYS  96   5.798   2.386  -6.347
  725   1HZ   LYS  96           HZ1      LYS  96   5.839   2.321  -3.823
  726   2HZ   LYS  96           HZ3      LYS  96   4.658   1.108  -3.938
  727   3HZ   LYS  96           HZ2      LYS  96   6.188   0.871  -4.639
  728    H    LEU  97           HN       LEU  97  -0.375   3.342  -5.967
  729    HA   LEU  97           HA       LEU  97   0.634   0.712  -5.114
  730   1HB   LEU  97           HB2      LEU  97  -0.731   1.999  -3.554
  731   2HB   LEU  97           HB1      LEU  97  -2.071   2.017  -4.698
  732    HG   LEU  97           HG       LEU  97  -1.992  -0.546  -4.608
  733   1HD1  LEU  97          HD12      LEU  97   0.154   0.158  -2.724
  734   2HD1  LEU  97          HD11      LEU  97  -1.007  -1.009  -2.089
  735   3HD1  LEU  97          HD13      LEU  97  -0.142  -1.351  -3.588
  736   1HD2  LEU  97          HD21      LEU  97  -2.839   1.291  -2.407
  737   2HD2  LEU  97          HD23      LEU  97  -3.823   0.316  -3.500
  738   3HD2  LEU  97          HD22      LEU  97  -2.982  -0.450  -2.150
  739    H    VAL  98           HN       VAL  98  -2.638   1.279  -6.418
  740    HA   VAL  98           HA       VAL  98  -2.400  -1.266  -7.874
  741    HB   VAL  98           HB       VAL  98  -4.771  -1.219  -8.043
  742   1HG1  VAL  98          HG11      VAL  98  -3.729  -0.165  -5.432
  743   2HG1  VAL  98          HG13      VAL  98  -5.433  -0.553  -5.644
  744   3HG1  VAL  98          HG12      VAL  98  -4.214  -1.806  -5.849
  745   1HG2  VAL  98          HG21      VAL  98  -4.451   1.726  -7.534
  746   2HG2  VAL  98          HG23      VAL  98  -5.429   0.912  -8.755
  747   3HG2  VAL  98          HG22      VAL  98  -5.958   0.934  -7.072
  748    H    THR  99           HN       THR  99  -1.077   1.274  -8.843
  749    HA   THR  99           HA       THR  99  -2.517   1.707 -11.375
  750    HB   THR  99           HB       THR  99  -1.006   3.525 -11.812
  751    HG1  THR  99           HG1      THR  99   0.757   3.879 -10.357
  752   1HG2  THR  99          HG22      THR  99  -2.759   3.923 -10.118
  753   2HG2  THR  99          HG21      THR  99  -1.617   3.465  -8.853
  754   3HG2  THR  99          HG23      THR  99  -1.323   4.905  -9.828
  755    H    GLU 100           HN       GLU 100  -1.057   1.661 -13.467
  756    HA   GLU 100           HA       GLU 100   0.006  -0.974 -13.735
  757   1HB   GLU 100           HB2      GLU 100   0.015   1.519 -15.381
  758   2HB   GLU 100           HB1      GLU 100   1.150   0.245 -15.825
  759   1HG   GLU 100           HG2      GLU 100  -1.310  -1.059 -15.294
  760   2HG   GLU 100           HG1      GLU 100  -1.711   0.362 -16.259
  761    H    VAL 101           HN       VAL 101   1.537   1.514 -11.927
  762    HA   VAL 101           HA       VAL 101   4.253   0.777 -12.839
  763    HB   VAL 101           HB       VAL 101   3.402   2.787 -10.735
  764   1HG1  VAL 101          HG12      VAL 101   5.989   1.947 -11.965
  765   2HG1  VAL 101          HG11      VAL 101   5.766   3.664 -11.634
  766   3HG1  VAL 101          HG13      VAL 101   5.652   2.491 -10.322
  767   1HG2  VAL 101          HG22      VAL 101   3.564   2.905 -13.708
  768   2HG2  VAL 101          HG21      VAL 101   2.541   3.821 -12.600
  769   3HG2  VAL 101          HG23      VAL 101   4.228   4.281 -12.827
  770    H    GLU 102           HN       GLU 102   2.058  -0.538 -10.660
  771    HA   GLU 102           HA       GLU 102   4.306  -1.657  -9.061
  772   1HB   GLU 102           HB2      GLU 102   3.374   0.221  -7.784
  773   2HB   GLU 102           HB1      GLU 102   1.787  -0.525  -7.836
  774   1HG   GLU 102           HG2      GLU 102   2.714  -1.131  -5.721
  775   2HG   GLU 102           HG1      GLU 102   2.863  -2.563  -6.734
  776    H    CYS 103           HN       CYS 103   0.827  -2.142  -8.332
  777    HA   CYS 103           HA       CYS 103   0.947  -4.842  -9.618
  778   1HB   CYS 103           HB2      CYS 103   0.172  -4.429  -6.711
  779   2HB   CYS 103           HB1      CYS 103   0.226  -5.958  -7.580
  780    H    ASN 104           HN       ASN 104  -0.583  -2.609 -10.535
  781    HA   ASN 104           HA       ASN 104  -3.075  -2.052  -9.616
  782   1HB   ASN 104           HB2      ASN 104  -3.834  -1.793 -11.958
  783   2HB   ASN 104           HB1      ASN 104  -2.247  -1.096 -11.682
  784   1HD2  ASN 104          HD22      ASN 104  -0.562  -3.553 -13.712
  785   2HD2  ASN 104          HD21      ASN 104  -0.324  -2.476 -12.426
  786    H    LEU 105           HN       LEU 105  -2.603  -4.931 -11.750
  787    HA   LEU 105           HA       LEU 105  -4.100  -6.737 -12.108
  788   1HB   LEU 105           HB2      LEU 105  -4.087  -6.439  -9.091
  789   2HB   LEU 105           HB1      LEU 105  -4.737  -7.845  -9.933
  790    HG   LEU 105           HG       LEU 105  -2.020  -7.054 -10.792
  791   1HD1  LEU 105          HD12      LEU 105  -2.675  -7.604  -7.944
  792   2HD1  LEU 105          HD11      LEU 105  -1.286  -8.463  -8.608
  793   3HD1  LEU 105          HD13      LEU 105  -1.328  -6.700  -8.635
  794   1HD2  LEU 105          HD23      LEU 105  -3.438  -9.612 -10.006
  795   2HD2  LEU 105          HD22      LEU 105  -2.946  -9.103 -11.621
  796   3HD2  LEU 105          HD21      LEU 105  -1.728  -9.567 -10.434
  797    H    ALA 106           HN       ALA 106  -5.417  -3.991 -12.075
  798    HA   ALA 106           HA       ALA 106  -7.565  -3.103 -12.243
  799   1HB   ALA 106           HB2      ALA 106  -7.831  -5.570 -13.248
  800   2HB   ALA 106           HB1      ALA 106  -8.826  -5.784 -11.808
  801   3HB   ALA 106           HB3      ALA 106  -9.230  -4.530 -12.982
  802    H    THR 107           HN       THR 107  -9.351  -2.502 -10.890
  803    HA   THR 107           HA       THR 107  -9.152  -3.443  -8.042
  804    HB   THR 107           HB       THR 107  -9.312  -1.210  -7.255
  805    HG1  THR 107           HG1      THR 107 -10.200  -0.523  -9.865
  806   1HG2  THR 107          HG21      THR 107  -7.185  -1.674  -8.593
  807   2HG2  THR 107          HG23      THR 107  -7.911  -0.696  -9.870
  808   3HG2  THR 107          HG22      THR 107  -7.583   0.018  -8.292
  809    H    ILE 108           HN       ILE 108 -11.418  -1.945  -7.142
  810    HA   ILE 108           HA       ILE 108 -13.607  -3.629  -7.988
  811    HB   ILE 108           HB       ILE 108 -13.521  -2.604  -5.727
  812   1HG1  ILE 108          HG12      ILE 108 -15.875  -1.515  -5.824
  813   2HG1  ILE 108          HG11      ILE 108 -15.831  -1.911  -7.541
  814   1HG2  ILE 108          HG22      ILE 108 -12.481  -0.448  -6.435
  815   2HG2  ILE 108          HG21      ILE 108 -14.016   0.019  -7.164
  816   3HG2  ILE 108          HG23      ILE 108 -13.902  -0.215  -5.421
  817   1HD1  ILE 108          HD12      ILE 108 -15.069  -4.289  -6.595
  818   2HD1  ILE 108          HD11      ILE 108 -15.955  -3.730  -5.178
  819   3HD1  ILE 108          HD13      ILE 108 -16.774  -3.858  -6.734
  820    H    HIS 109           HN       HIS 109 -12.430  -0.435  -8.828
  821    HA   HIS 109           HA       HIS 109 -14.648   0.443 -10.436
  822   1HB   HIS 109           HB2      HIS 109 -11.738   1.274 -10.512
  823   2HB   HIS 109           HB1      HIS 109 -13.097   2.173 -11.178
  824    HD1  HIS 109           HD1      HIS 109 -14.597   3.467  -9.533
  825    HD2  HIS 109           HD2      HIS 109 -11.580   1.278  -7.668
  826    HE1  HIS 109           HE1      HIS 109 -14.529   4.250  -7.125
  827    H    GLY 110           HN       GLY 110 -12.554  -2.125 -11.090
  828   1HA   GLY 110           HA2      GLY 110 -11.979  -3.274 -13.038
  829   2HA   GLY 110           HA1      GLY 110 -13.403  -2.516 -13.751
  830    H    GLY 111           HN       GLY 111 -10.423  -0.995 -12.521
  831   1HA   GLY 111           HA2      GLY 111  -9.257  -0.475 -15.106
  832   2HA   GLY 111           HA1      GLY 111 -10.152   0.937 -14.545
  833    HA   PRO 112           HA       PRO 112  -5.891   0.718 -12.521
  834   1HB   PRO 112           HB2      PRO 112  -4.619   2.663 -14.028
  835   2HB   PRO 112           HB1      PRO 112  -4.528   0.928 -14.370
  836   1HG   PRO 112           HG2      PRO 112  -6.039   3.061 -15.789
  837   2HG   PRO 112           HG1      PRO 112  -5.483   1.492 -16.394
  838   1HD   PRO 112           HD2      PRO 112  -8.134   2.144 -15.614
  839   2HD   PRO 112           HD1      PRO 112  -7.506   0.519 -15.956
  840    H    PHE 113           HN       PHE 113  -7.487   1.754 -10.949
  841    HA   PHE 113           HA       PHE 113  -6.558   4.177  -9.914
  842   1HB   PHE 113           HB2      PHE 113  -8.487   5.724 -10.423
  843   2HB   PHE 113           HB1      PHE 113  -7.432   5.400 -11.791
  844    HD1  PHE 113           HD2      PHE 113 -10.762   4.798 -10.316
  845    HD2  PHE 113           HD1      PHE 113  -8.194   4.041 -13.675
  846    HE1  PHE 113           HE2      PHE 113 -12.716   4.049 -11.647
  847    HE2  PHE 113           HE1      PHE 113 -10.146   3.292 -15.004
  848    HZ   PHE 113           HZ       PHE 113 -12.412   3.299 -13.999
  849    H    CYS 114           HN       CYS 114  -7.696   4.769  -7.926
  850    HA   CYS 114           HA       CYS 114 -10.129   3.213  -7.266
  851   1HB   CYS 114           HB2      CYS 114  -9.114   2.440  -5.119
  852   2HB   CYS 114           HB1      CYS 114  -8.362   1.727  -6.542
  853    H    LEU 115           HN       LEU 115 -11.169   5.344  -7.242
  854    HA   LEU 115           HA       LEU 115 -10.875   6.733  -4.665
  855   1HB   LEU 115           HB2      LEU 115 -10.743   8.980  -5.853
  856   2HB   LEU 115           HB1      LEU 115  -9.273   8.010  -5.906
  857    HG   LEU 115           HG       LEU 115 -11.022   7.353  -8.142
  858   1HD1  LEU 115          HD12      LEU 115 -10.579  10.219  -7.506
  859   2HD1  LEU 115          HD11      LEU 115 -10.263   9.740  -9.174
  860   3HD1  LEU 115          HD13      LEU 115 -11.851   9.459  -8.461
  861   1HD2  LEU 115          HD21      LEU 115  -8.454   7.055  -7.735
  862   2HD2  LEU 115          HD23      LEU 115  -9.012   7.467  -9.357
  863   3HD2  LEU 115          HD22      LEU 115  -8.340   8.719  -8.311
  864    H    SER 116           HN       SER 116 -12.519   8.827  -4.945
  865    HA   SER 116           HA       SER 116 -15.140   7.768  -5.009
  866   1HB   SER 116           HB2      SER 116 -14.222  10.620  -5.475
  867   2HB   SER 116           HB1      SER 116 -15.890  10.146  -5.166
  868    HG   SER 116           HG       SER 116 -15.384  10.168  -3.137
  869    H    LEU 117           HN       LEU 117 -13.547   9.780  -7.487
  870    HA   LEU 117           HA       LEU 117 -13.652   9.687  -9.824
  871   1HB   LEU 117           HB2      LEU 117 -14.619   7.136  -9.130
  872   2HB   LEU 117           HB1      LEU 117 -15.823   7.798 -10.234
  873    HG   LEU 117           HG       LEU 117 -13.536   8.525 -11.514
  874   1HD1  LEU 117          HD11      LEU 117 -12.352   7.156  -9.616
  875   2HD1  LEU 117          HD13      LEU 117 -12.878   5.753 -10.546
  876   3HD1  LEU 117          HD12      LEU 117 -11.817   6.953 -11.283
  877   1HD2  LEU 117          HD22      LEU 117 -15.654   6.707 -11.902
  878   2HD2  LEU 117          HD21      LEU 117 -14.496   7.247 -13.115
  879   3HD2  LEU 117          HD23      LEU 117 -14.192   5.770 -12.202
  880    H    LEU 118           HN       LEU 118 -17.013   8.948  -8.814
  881    HA   LEU 118           HA       LEU 118 -18.962  10.193  -8.943
  882   1HB   LEU 118           HB2      LEU 118 -16.988  12.426  -9.292
  883   2HB   LEU 118           HB1      LEU 118 -18.686  12.691  -9.623
  884    HG   LEU 118           HG       LEU 118 -18.858  11.369  -7.254
  885   1HD1  LEU 118          HD13      LEU 118 -16.232  12.877  -7.277
  886   2HD1  LEU 118          HD12      LEU 118 -17.085  12.454  -5.792
  887   3HD1  LEU 118          HD11      LEU 118 -16.495  11.183  -6.862
  888   1HD2  LEU 118          HD22      LEU 118 -18.668  14.261  -8.011
  889   2HD2  LEU 118          HD21      LEU 118 -20.040  13.362  -7.361
  890   3HD2  LEU 118          HD23      LEU 118 -18.722  13.854  -6.296
  891    H    GLY 119           HN       GLY 119 -16.872   9.950 -11.703
  892   1HA   GLY 119           HA2      GLY 119 -19.033  10.802 -13.540
  893   2HA   GLY 119           HA1      GLY 119 -17.357  10.501 -14.002
  894    H    ALA 120           HN       ALA 120 -19.146   8.320 -11.919
  895    HA   ALA 120           HA       ALA 120 -18.978   6.229 -14.038
  896   1HB   ALA 120           HB1      ALA 120 -18.398   6.270 -11.214
  897   2HB   ALA 120           HB3      ALA 120 -19.641   5.063 -11.539
  898   3HB   ALA 120           HB2      ALA 120 -18.096   4.987 -12.384
  899    H    GLY 121           HN       GLY 121 -21.017   7.990 -14.379
  900   1HA   GLY 121           HA2      GLY 121 -23.494   6.958 -13.159
  901   2HA   GLY 121           HA1      GLY 121 -23.379   8.304 -14.290
  902    H    GLU 122           HN       GLU 122 -21.620   5.599 -15.407
  903    HA   GLU 122           HA       GLU 122 -21.976   4.125 -17.177
  904   1HB   GLU 122           HB2      GLU 122 -24.798   4.167 -16.050
  905   2HB   GLU 122           HB1      GLU 122 -24.185   2.981 -17.201
  906   1HG   GLU 122           HG2      GLU 122 -22.678   2.060 -15.631
  907   2HG   GLU 122           HG1      GLU 122 -22.794   3.463 -14.568
   
  No H/Q in entry =         907
  Start of MODEL          12
 Raw file had  930 H/Q atoms
  Start of MODEL   12
    1   1H    SER   1           HT3      SER   1 -25.575  -2.766  -0.460
    2   2H    SER   1           HT2      SER   1 -25.898  -3.699  -1.843
    3   3H    SER   1           HT1      SER   1 -26.769  -2.269  -1.557
    4    HA   SER   1           HA       SER   1 -28.062  -3.185   0.080
    5   1HB   SER   1           HB2      SER   1 -28.782  -5.407  -0.739
    6   2HB   SER   1           HB1      SER   1 -28.552  -4.280  -2.073
    7    HG   SER   1           HG       SER   1 -27.089  -5.583  -2.808
    8    H    VAL   2           HN       VAL   2 -25.192  -5.219  -0.458
    9    HA   VAL   2           HA       VAL   2 -25.311  -6.004   2.423
   10    HB   VAL   2           HB       VAL   2 -23.979  -8.073   1.604
   11   1HG1  VAL   2          HG11      VAL   2 -26.896  -7.508   1.145
   12   2HG1  VAL   2          HG13      VAL   2 -26.229  -9.089   0.738
   13   3HG1  VAL   2          HG12      VAL   2 -26.139  -8.494   2.396
   14   1HG2  VAL   2          HG23      VAL   2 -23.699  -6.968  -0.732
   15   2HG2  VAL   2          HG22      VAL   2 -24.127  -8.677  -0.683
   16   3HG2  VAL   2          HG21      VAL   2 -25.367  -7.468  -1.013
   17    H    GLY   3           HN       GLY   3 -22.440  -7.062   0.817
   18   1HA   GLY   3           HA2      GLY   3 -20.325  -5.957   0.547
   19   2HA   GLY   3           HA1      GLY   3 -20.961  -4.573   1.436
   20    H    THR   4           HN       THR   4 -21.100  -4.701   3.736
   21    HA   THR   4           HA       THR   4 -20.039  -5.088   5.796
   22    HB   THR   4           HB       THR   4 -21.940  -6.663   5.794
   23    HG1  THR   4           HG1      THR   4 -20.686  -6.679   7.617
   24   1HG2  THR   4          HG21      THR   4 -19.905  -8.479   4.505
   25   2HG2  THR   4          HG23      THR   4 -21.300  -9.122   5.371
   26   3HG2  THR   4          HG22      THR   4 -21.537  -8.097   3.955
   27    H    SER   5           HN       SER   5 -18.042  -4.867   3.917
   28    HA   SER   5           HA       SER   5 -16.101  -6.998   4.727
   29   1HB   SER   5           HB2      SER   5 -15.019  -6.806   2.591
   30   2HB   SER   5           HB1      SER   5 -16.741  -6.954   2.264
   31    HG   SER   5           HG       SER   5 -16.829  -4.864   1.715
   32    H    CYS   6           HN       CYS   6 -13.809  -5.619   3.706
   33    HA   CYS   6           HA       CYS   6 -12.209  -4.043   4.374
   34   1HB   CYS   6           HB2      CYS   6 -14.654  -2.337   4.931
   35   2HB   CYS   6           HB1      CYS   6 -13.006  -1.749   4.755
   36    H    ILE   7           HN       ILE   7 -12.311  -2.156   6.505
   37    HA   ILE   7           HA       ILE   7 -12.142  -1.984   8.836
   38    HB   ILE   7           HB       ILE   7 -13.714  -4.579   9.012
   39   1HG1  ILE   7          HG12      ILE   7 -14.788  -1.741   8.951
   40   2HG1  ILE   7          HG11      ILE   7 -14.870  -2.860   7.590
   41   1HG2  ILE   7          HG21      ILE   7 -13.383  -2.237  10.904
   42   2HG2  ILE   7          HG23      ILE   7 -14.404  -3.647  11.192
   43   3HG2  ILE   7          HG22      ILE   7 -12.653  -3.831  11.096
   44   1HD1  ILE   7          HD11      ILE   7 -15.875  -3.937  10.157
   45   2HD1  ILE   7          HD13      ILE   7 -16.828  -2.620   9.473
   46   3HD1  ILE   7          HD12      ILE   7 -16.546  -4.086   8.533
   47    HA   PRO   8           HA       PRO   8  -8.541  -4.541   9.163
   48   1HB   PRO   8           HB2      PRO   8  -7.783  -3.950  11.747
   49   2HB   PRO   8           HB1      PRO   8  -7.482  -2.896  10.354
   50   1HG   PRO   8           HG2      PRO   8  -9.525  -2.621  12.516
   51   2HG   PRO   8           HG1      PRO   8  -8.733  -1.364  11.552
   52   1HD   PRO   8           HD2      PRO   8 -11.333  -2.302  11.142
   53   2HD   PRO   8           HD1      PRO   8 -10.375  -1.405   9.951
   54    H    GLY   9           HN       GLY   9  -7.646  -6.363  10.501
   55   1HA   GLY   9           HA2      GLY   9  -7.881  -8.421  11.573
   56   2HA   GLY   9           HA1      GLY   9  -9.104  -7.657  12.584
   57    H    MET  10           HN       MET  10  -9.702  -7.468   9.186
   58    HA   MET  10           HA       MET  10 -11.422  -9.897   9.185
   59   1HB   MET  10           HB2      MET  10 -12.312  -7.043   8.789
   60   2HB   MET  10           HB1      MET  10 -13.188  -8.373   8.031
   61   1HG   MET  10           HG2      MET  10 -12.526  -8.729  10.904
   62   2HG   MET  10           HG1      MET  10 -13.728  -7.491  10.536
   63   1HE   MET  10           HE1      MET  10 -15.276  -7.695   8.825
   64   2HE   MET  10           HE3      MET  10 -16.041  -9.148   8.169
   65   3HE   MET  10           HE2      MET  10 -16.571  -8.491   9.717
   66    H    ALA  11           HN       ALA  11  -9.706 -10.698   7.620
   67    HA   ALA  11           HA       ALA  11  -9.210 -11.258   5.385
   68   1HB   ALA  11           HB2      ALA  11 -11.440  -9.896   4.833
   69   2HB   ALA  11           HB1      ALA  11 -10.278  -8.699   4.259
   70   3HB   ALA  11           HB3      ALA  11 -10.287 -10.322   3.569
   71    H    ILE  12           HN       ILE  12  -9.027  -7.728   5.914
   72    HA   ILE  12           HA       ILE  12  -6.266  -7.662   4.899
   73    HB   ILE  12           HB       ILE  12  -8.028  -5.402   5.895
   74   1HG1  ILE  12          HG12      ILE  12  -7.308  -6.052   3.037
   75   2HG1  ILE  12          HG11      ILE  12  -8.751  -6.718   3.797
   76   1HG2  ILE  12          HG23      ILE  12  -5.341  -5.330   5.719
   77   2HG2  ILE  12          HG22      ILE  12  -5.735  -4.991   4.034
   78   3HG2  ILE  12          HG21      ILE  12  -6.348  -3.941   5.310
   79   1HD1  ILE  12          HD13      ILE  12  -8.562  -3.864   4.300
   80   2HD1  ILE  12          HD12      ILE  12  -8.507  -4.199   2.569
   81   3HD1  ILE  12          HD11      ILE  12  -9.862  -4.777   3.537
   82    HA   PRO  13           HA       PRO  13  -5.464  -8.164   9.346
   83   1HB   PRO  13           HB2      PRO  13  -2.834  -8.930   9.147
   84   2HB   PRO  13           HB1      PRO  13  -4.213 -10.027   9.007
   85   1HG   PRO  13           HG2      PRO  13  -2.406  -9.024   6.884
   86   2HG   PRO  13           HG1      PRO  13  -3.442 -10.460   6.885
   87   1HD   PRO  13           HD2      PRO  13  -3.943  -7.970   5.599
   88   2HD   PRO  13           HD1      PRO  13  -5.077  -9.339   5.726
   89    H    HIS  14           HN       HIS  14  -3.809  -7.270  10.880
   90    HA   HIS  14           HA       HIS  14  -3.484  -4.464  10.472
   91   1HB   HIS  14           HB2      HIS  14  -2.267  -6.304  12.571
   92   2HB   HIS  14           HB1      HIS  14  -2.427  -4.570  12.685
   93    HD1  HIS  14           HD1      HIS  14  -4.556  -3.699  13.744
   94    HD2  HIS  14           HD2      HIS  14  -4.942  -7.636  12.436
   95    HE1  HIS  14           HE1      HIS  14  -6.837  -4.516  14.552
   96    H    ASN  15           HN       ASN  15  -1.489  -3.298  10.022
   97    HA   ASN  15           HA       ASN  15   0.666  -2.938   9.206
   98   1HB   ASN  15           HB2      ASN  15   1.043  -4.658  11.236
   99   2HB   ASN  15           HB1      ASN  15   1.561  -5.700   9.911
  100   1HD2  ASN  15          HD22      ASN  15   4.335  -3.365  11.257
  101   2HD2  ASN  15          HD21      ASN  15   3.136  -4.209  12.113
  102    HA   PRO  16           HA       PRO  16  -0.402  -5.752   5.564
  103   1HB   PRO  16           HB2      PRO  16  -1.784  -3.950   4.034
  104   2HB   PRO  16           HB1      PRO  16  -2.561  -5.021   5.214
  105   1HG   PRO  16           HG2      PRO  16  -2.005  -2.094   5.414
  106   2HG   PRO  16           HG1      PRO  16  -3.293  -3.046   6.170
  107   1HD   PRO  16           HD2      PRO  16  -0.941  -2.154   7.456
  108   2HD   PRO  16           HD1      PRO  16  -2.063  -3.396   8.046
  109    H    LEU  17           HN       LEU  17   0.282  -5.424   3.294
  110    HA   LEU  17           HA       LEU  17   2.020  -4.910   1.807
  111   1HB   LEU  17           HB2      LEU  17   0.660  -2.311   2.480
  112   2HB   LEU  17           HB1      LEU  17   1.953  -2.372   1.280
  113    HG   LEU  17           HG       LEU  17   0.555  -4.416   0.347
  114   1HD1  LEU  17          HD11      LEU  17  -1.381  -2.869   2.060
  115   2HD1  LEU  17          HD13      LEU  17  -1.934  -3.713   0.614
  116   3HD1  LEU  17          HD12      LEU  17  -1.176  -4.615   1.926
  117   1HD2  LEU  17          HD21      LEU  17   0.306  -1.477  -0.048
  118   2HD2  LEU  17          HD23      LEU  17   0.754  -2.732  -1.202
  119   3HD2  LEU  17          HD22      LEU  17  -0.941  -2.477  -0.792
  120    H    ASP  18           HN       ASP  18   3.175  -5.326   4.331
  121    HA   ASP  18           HA       ASP  18   4.933  -3.155   5.118
  122   1HB   ASP  18           HB2      ASP  18   6.194  -4.968   6.337
  123   2HB   ASP  18           HB1      ASP  18   4.467  -4.935   6.708
  124    H    SER  19           HN       SER  19   5.159  -5.891   2.951
  125    HA   SER  19           HA       SER  19   7.929  -5.684   2.249
  126   1HB   SER  19           HB2      SER  19   6.045  -7.499   1.674
  127   2HB   SER  19           HB1      SER  19   5.928  -6.543   0.200
  128    HG   SER  19           HG       SER  19   7.610  -7.664  -0.380
  129    H    CYS  20           HN       CYS  20   5.077  -3.905   1.324
  130    HA   CYS  20           HA       CYS  20   6.174  -2.712  -1.068
  131   1HB   CYS  20           HB2      CYS  20   3.887  -1.758   0.664
  132   2HB   CYS  20           HB1      CYS  20   4.203  -1.297  -1.009
  133    H    ARG  21           HN       ARG  21   5.929  -1.774   2.343
  134    HA   ARG  21           HA       ARG  21   6.924   0.882   2.015
  135   1HB   ARG  21           HB2      ARG  21   5.976   0.745   4.087
  136   2HB   ARG  21           HB1      ARG  21   6.403  -0.938   4.314
  137   1HG   ARG  21           HG2      ARG  21   8.768  -0.213   4.776
  138   2HG   ARG  21           HG1      ARG  21   8.238   1.464   4.649
  139   1HD   ARG  21           HD2      ARG  21   7.229   1.425   6.690
  140   2HD   ARG  21           HD1      ARG  21   6.630  -0.222   6.473
  141    HE   ARG  21           HE       ARG  21   9.480  -0.274   6.793
  142   1HH1  ARG  21          HH21      ARG  21   7.910  -2.221   8.243
  143   2HH1  ARG  21          HH22      ARG  21   7.932  -1.644   9.877
  144   1HH2  ARG  21          HH11      ARG  21   8.936   1.561   9.011
  145   2HH2  ARG  21          HH12      ARG  21   8.511   0.499  10.311
  146    H    TRP  22           HN       TRP  22   8.623  -2.194   2.855
  147    HA   TRP  22           HA       TRP  22  11.216  -0.942   2.910
  148   1HB   TRP  22           HB2      TRP  22  10.396  -3.824   2.782
  149   2HB   TRP  22           HB1      TRP  22  12.066  -3.352   2.550
  150    HD1  TRP  22           HD1      TRP  22   9.907  -4.333   5.215
  151    HE1  TRP  22           HE1      TRP  22  10.787  -3.494   7.502
  152    HE3  TRP  22           HE3      TRP  22  13.208  -0.986   3.553
  153    HZ2  TRP  22           HZ2      TRP  22  12.725  -1.571   8.466
  154    HZ3  TRP  22           HZ3      TRP  22  14.605   0.382   5.121
  155    HH2  TRP  22           HH2      TRP  22  14.359   0.083   7.577
  156    H    TYR  23           HN       TYR  23   9.229  -2.307   0.386
  157    HA   TYR  23           HA       TYR  23  11.276  -2.589  -1.604
  158   1HB   TYR  23           HB2      TYR  23   9.047  -3.669  -1.780
  159   2HB   TYR  23           HB1      TYR  23   8.318  -2.083  -2.054
  160    HD1  TYR  23           HD1      TYR  23  11.183  -4.166  -3.306
  161    HD2  TYR  23           HD2      TYR  23   8.037  -1.405  -4.271
  162    HE1  TYR  23           HE1      TYR  23  11.780  -4.328  -5.706
  163    HE2  TYR  23           HE2      TYR  23   8.634  -1.568  -6.673
  164    HH   TYR  23           HH       TYR  23  11.395  -2.568  -7.817
  165    H    VAL  24           HN       VAL  24   9.280   0.159  -0.532
  166    HA   VAL  24           HA       VAL  24  10.137   1.881  -2.729
  167    HB   VAL  24           HB       VAL  24   9.105   2.692   0.004
  168   1HG1  VAL  24          HG12      VAL  24   9.670   4.225  -2.539
  169   2HG1  VAL  24          HG11      VAL  24   8.579   4.843  -1.298
  170   3HG1  VAL  24          HG13      VAL  24  10.277   4.549  -0.916
  171   1HG2  VAL  24          HG22      VAL  24   7.756   2.188  -2.653
  172   2HG2  VAL  24          HG21      VAL  24   7.347   1.499  -1.082
  173   3HG2  VAL  24          HG23      VAL  24   7.015   3.200  -1.413
  174    H    SER  25           HN       SER  25  11.219   1.184   0.588
  175    HA   SER  25           HA       SER  25  13.213   3.181   0.820
  176   1HB   SER  25           HB2      SER  25  13.735   0.401   1.823
  177   2HB   SER  25           HB1      SER  25  14.118   1.943   2.579
  178    HG   SER  25           HG       SER  25  12.334   1.069   3.609
  179    H    THR  26           HN       THR  26  13.289   0.037  -0.809
  180    HA   THR  26           HA       THR  26  16.120   0.150  -1.474
  181    HB   THR  26           HB       THR  26  13.925  -1.628  -2.578
  182    HG1  THR  26           HG1      THR  26  14.517  -3.005  -0.980
  183   1HG2  THR  26          HG23      THR  26  16.945  -1.793  -2.701
  184   2HG2  THR  26          HG22      THR  26  15.883  -3.158  -3.049
  185   3HG2  THR  26          HG21      THR  26  15.821  -1.712  -4.058
  186    H    ARG  27           HN       ARG  27  13.164   0.534  -3.478
  187    HA   ARG  27           HA       ARG  27  14.535   1.074  -5.926
  188   1HB   ARG  27           HB2      ARG  27  11.751   1.512  -4.917
  189   2HB   ARG  27           HB1      ARG  27  12.244   2.333  -6.397
  190   1HG   ARG  27           HG2      ARG  27  12.485  -0.649  -5.916
  191   2HG   ARG  27           HG1      ARG  27  11.193   0.120  -6.837
  192   1HD   ARG  27           HD2      ARG  27  13.788   1.039  -7.765
  193   2HD   ARG  27           HD1      ARG  27  13.689  -0.721  -7.827
  194    HE   ARG  27           HE       ARG  27  11.678  -0.466  -9.255
  195   1HH1  ARG  27          HH21      ARG  27  11.315   2.486  -8.389
  196   2HH1  ARG  27          HH22      ARG  27  11.753   3.294  -9.858
  197   1HH2  ARG  27          HH11      ARG  27  13.242   0.494 -11.264
  198   2HH2  ARG  27          HH12      ARG  27  12.846   2.165 -11.486
  199    H    THR  28           HN       THR  28  13.768   3.082  -3.198
  200    HA   THR  28           HA       THR  28  14.278   5.569  -4.678
  201    HB   THR  28           HB       THR  28  13.501   6.680  -2.630
  202    HG1  THR  28           HG1      THR  28  12.819   5.307  -0.900
  203   1HG2  THR  28          HG21      THR  28  11.856   4.296  -3.483
  204   2HG2  THR  28          HG23      THR  28  11.236   5.632  -2.512
  205   3HG2  THR  28          HG22      THR  28  11.796   5.924  -4.160
  206    H    CYS  29           HN       CYS  29  15.563   4.280  -1.537
  207    HA   CYS  29           HA       CYS  29  18.022   5.870  -2.023
  208   1HB   CYS  29           HB2      CYS  29  17.445   4.374   0.516
  209   2HB   CYS  29           HB1      CYS  29  18.421   5.821   0.287
  210    H    GLY  30           HN       GLY  30  17.156   2.911  -2.905
  211   1HA   GLY  30           HA2      GLY  30  18.311   0.892  -3.343
  212   2HA   GLY  30           HA1      GLY  30  19.784   1.852  -3.215
  213    H    VAL  31           HN       VAL  31  17.483   1.628  -0.575
  214    HA   VAL  31           HA       VAL  31  19.446  -0.016   0.982
  215    HB   VAL  31           HB       VAL  31  17.592   2.144   2.032
  216   1HG1  VAL  31          HG13      VAL  31  19.740   0.419   3.278
  217   2HG1  VAL  31          HG12      VAL  31  19.192   1.921   4.021
  218   3HG1  VAL  31          HG11      VAL  31  18.058   0.591   3.779
  219   1HG2  VAL  31          HG23      VAL  31  20.359   2.193   0.942
  220   2HG2  VAL  31          HG22      VAL  31  19.148   3.475   0.997
  221   3HG2  VAL  31          HG21      VAL  31  20.097   3.095   2.435
  222    H    GLY  32           HN       GLY  32  18.387  -1.258   2.808
  223   1HA   GLY  32           HA2      GLY  32  15.978  -1.881   3.602
  224   2HA   GLY  32           HA1      GLY  32  15.777  -2.312   1.902
  225    HA   PRO  33           HA       PRO  33  17.728  -5.919   4.370
  226   1HB   PRO  33           HB2      PRO  33  15.739  -7.803   3.880
  227   2HB   PRO  33           HB1      PRO  33  15.837  -6.801   5.339
  228   1HG   PRO  33           HG2      PRO  33  14.083  -6.477   2.932
  229   2HG   PRO  33           HG1      PRO  33  13.736  -6.130   4.636
  230   1HD   PRO  33           HD2      PRO  33  14.329  -4.191   2.799
  231   2HD   PRO  33           HD1      PRO  33  14.654  -4.027   4.540
  232    H    ARG  34           HN       ARG  34  18.169  -8.242   3.225
  233    HA   ARG  34           HA       ARG  34  18.934  -7.586   0.461
  234   1HB   ARG  34           HB2      ARG  34  20.241  -8.893   2.497
  235   2HB   ARG  34           HB1      ARG  34  19.661 -10.241   1.521
  236   1HG   ARG  34           HG2      ARG  34  21.388  -9.881   0.115
  237   2HG   ARG  34           HG1      ARG  34  20.626  -8.358  -0.342
  238   1HD   ARG  34           HD2      ARG  34  22.920  -7.942   0.405
  239   2HD   ARG  34           HD1      ARG  34  21.783  -7.239   1.557
  240    HE   ARG  34           HE       ARG  34  22.182  -9.335   2.948
  241   1HH1  ARG  34          HH11      ARG  34  23.859 -10.796   0.961
  242   2HH1  ARG  34          HH12      ARG  34  25.466 -10.449   1.505
  243   1HH2  ARG  34          HH21      ARG  34  24.497  -7.779   3.496
  244   2HH2  ARG  34          HH22      ARG  34  25.827  -8.741   2.941
  245    H    LEU  35           HN       LEU  35  16.929  -7.717  -0.527
  246    HA   LEU  35           HA       LEU  35  16.066 -10.468  -1.233
  247   1HB   LEU  35           HB2      LEU  35  14.436  -8.405   0.148
  248   2HB   LEU  35           HB1      LEU  35  13.661  -9.180  -1.235
  249    HG   LEU  35           HG       LEU  35  15.027 -10.755   0.954
  250   1HD1  LEU  35          HD11      LEU  35  12.304  -9.539   0.819
  251   2HD1  LEU  35          HD13      LEU  35  12.430 -11.179   1.457
  252   3HD1  LEU  35          HD12      LEU  35  13.320  -9.864   2.224
  253   1HD2  LEU  35          HD23      LEU  35  14.404 -11.607  -1.475
  254   2HD2  LEU  35          HD22      LEU  35  14.092 -12.626  -0.070
  255   3HD2  LEU  35          HD21      LEU  35  12.780 -11.698  -0.796
  256    H    ALA  36           HN       ALA  36  15.972 -10.603  -3.436
  257    HA   ALA  36           HA       ALA  36  16.724  -8.559  -5.188
  258   1HB   ALA  36           HB3      ALA  36  15.348 -11.167  -5.485
  259   2HB   ALA  36           HB2      ALA  36  15.148 -10.044  -6.830
  260   3HB   ALA  36           HB1      ALA  36  16.765 -10.538  -6.327
  261    H    THR  37           HN       THR  37  15.479  -7.158  -6.647
  262    HA   THR  37           HA       THR  37  13.277  -5.816  -5.454
  263    HB   THR  37           HB       THR  37  12.961  -5.001  -7.946
  264    HG1  THR  37           HG1      THR  37  14.369  -5.739  -9.301
  265   1HG2  THR  37          HG21      THR  37  15.309  -4.485  -6.123
  266   2HG2  THR  37          HG23      THR  37  15.085  -3.580  -7.619
  267   3HG2  THR  37          HG22      THR  37  13.862  -3.503  -6.352
  268    H    GLN  38           HN       GLN  38  13.181  -7.880  -8.391
  269    HA   GLN  38           HA       GLN  38  10.398  -7.927  -8.708
  270   1HB   GLN  38           HB2      GLN  38  12.553  -9.913  -9.387
  271   2HB   GLN  38           HB1      GLN  38  10.861 -10.289  -9.717
  272   1HG   GLN  38           HG2      GLN  38  10.629  -8.292 -11.085
  273   2HG   GLN  38           HG1      GLN  38  12.264  -7.774 -10.667
  274   1HE2  GLN  38          HE22      GLN  38  13.776  -9.756 -13.155
  275   2HE2  GLN  38          HE21      GLN  38  13.956  -8.547 -11.976
  276    H    GLU  39           HN       GLU  39  12.304  -9.728  -6.371
  277    HA   GLU  39           HA       GLU  39  10.231 -11.633  -5.676
  278   1HB   GLU  39           HB2      GLU  39  12.792 -10.729  -4.371
  279   2HB   GLU  39           HB1      GLU  39  11.672 -11.785  -3.511
  280   1HG   GLU  39           HG2      GLU  39  11.838 -13.484  -5.191
  281   2HG   GLU  39           HG1      GLU  39  12.682 -12.400  -6.296
  282    H    MET  40           HN       MET  40  11.372  -8.591  -4.228
  283    HA   MET  40           HA       MET  40   9.550  -8.485  -2.031
  284   1HB   MET  40           HB2      MET  40  11.634  -7.001  -2.677
  285   2HB   MET  40           HB1      MET  40  10.430  -6.014  -3.488
  286   1HG   MET  40           HG2      MET  40  10.416  -5.045  -1.376
  287   2HG   MET  40           HG1      MET  40   9.130  -6.243  -1.202
  288   1HE   MET  40           HE2      MET  40   9.520  -5.454   1.002
  289   2HE   MET  40           HE1      MET  40   9.628  -7.000   1.839
  290   3HE   MET  40           HE3      MET  40  10.885  -5.776   2.065
  291    H    LYS  41           HN       LYS  41   9.447  -6.870  -5.191
  292    HA   LYS  41           HA       LYS  41   6.888  -5.708  -5.062
  293   1HB   LYS  41           HB2      LYS  41   8.564  -5.334  -6.891
  294   2HB   LYS  41           HB1      LYS  41   8.153  -6.922  -7.536
  295   1HG   LYS  41           HG2      LYS  41   5.771  -6.183  -7.722
  296   2HG   LYS  41           HG1      LYS  41   6.264  -4.573  -7.198
  297   1HD   LYS  41           HD2      LYS  41   7.420  -5.988  -9.616
  298   2HD   LYS  41           HD1      LYS  41   6.103  -4.818  -9.698
  299   1HE   LYS  41           HE2      LYS  41   7.718  -3.259  -8.375
  300   2HE   LYS  41           HE1      LYS  41   8.976  -4.369  -8.916
  301   1HZ   LYS  41           HZ3      LYS  41   7.033  -3.160 -10.791
  302   2HZ   LYS  41           HZ2      LYS  41   8.493  -2.391 -10.388
  303   3HZ   LYS  41           HZ1      LYS  41   8.512  -3.910 -11.150
  304    H    ALA  42           HN       ALA  42   7.857  -9.005  -5.864
  305    HA   ALA  42           HA       ALA  42   5.342  -9.991  -6.800
  306   1HB   ALA  42           HB2      ALA  42   7.610 -11.157  -6.928
  307   2HB   ALA  42           HB1      ALA  42   7.381 -11.586  -5.233
  308   3HB   ALA  42           HB3      ALA  42   6.253 -12.180  -6.452
  309    H    ARG  43           HN       ARG  43   6.802  -9.821  -3.571
  310    HA   ARG  43           HA       ARG  43   4.750 -11.147  -2.112
  311   1HB   ARG  43           HB2      ARG  43   7.175 -10.067  -1.464
  312   2HB   ARG  43           HB1      ARG  43   6.081  -8.886  -0.745
  313   1HG   ARG  43           HG2      ARG  43   5.611 -11.827  -0.317
  314   2HG   ARG  43           HG1      ARG  43   6.794 -10.968   0.669
  315   1HD   ARG  43           HD2      ARG  43   5.138  -9.454   1.503
  316   2HD   ARG  43           HD1      ARG  43   3.952  -9.991   0.312
  317    HE   ARG  43           HE       ARG  43   3.877 -12.169   1.537
  318   1HH1  ARG  43          HH11      ARG  43   6.456 -11.043   3.060
  319   2HH1  ARG  43          HH12      ARG  43   5.782 -10.929   4.651
  320   1HH2  ARG  43          HH21      ARG  43   2.509 -11.333   3.582
  321   2HH2  ARG  43          HH22      ARG  43   3.548 -11.093   4.946
  322    H    CYS  44           HN       CYS  44   5.165  -7.720  -3.011
  323    HA   CYS  44           HA       CYS  44   2.914  -6.706  -1.550
  324   1HB   CYS  44           HB2      CYS  44   4.416  -5.701  -3.943
  325   2HB   CYS  44           HB1      CYS  44   2.950  -4.901  -3.370
  326    H    CYS  45           HN       CYS  45   3.249  -8.168  -4.769
  327    HA   CYS  45           HA       CYS  45   0.584  -7.449  -5.663
  328   1HB   CYS  45           HB2      CYS  45   2.675  -9.377  -6.656
  329   2HB   CYS  45           HB1      CYS  45   1.051  -9.392  -7.333
  330    H    ARG  46           HN       ARG  46   1.990 -10.121  -3.870
  331    HA   ARG  46           HA       ARG  46  -0.318 -11.881  -4.090
  332   1HB   ARG  46           HB2      ARG  46   2.163 -12.406  -3.429
  333   2HB   ARG  46           HB1      ARG  46   1.649 -11.976  -1.813
  334   1HG   ARG  46           HG2      ARG  46  -0.263 -13.759  -3.123
  335   2HG   ARG  46           HG1      ARG  46   1.338 -14.478  -2.988
  336   1HD   ARG  46           HD2      ARG  46   1.111 -14.768  -0.764
  337   2HD   ARG  46           HD1      ARG  46   0.592 -13.099  -0.533
  338    HE   ARG  46           HE       ARG  46  -1.719 -13.862  -1.093
  339   1HH1  ARG  46          HH11      ARG  46  -0.894 -16.518  -2.288
  340   2HH1  ARG  46          HH12      ARG  46  -1.306 -17.615  -1.012
  341   1HH2  ARG  46          HH21      ARG  46  -1.564 -15.137   1.398
  342   2HH2  ARG  46          HH22      ARG  46  -1.685 -16.834   1.072
  343    H    GLN  47           HN       GLN  47   0.769  -9.326  -1.919
  344    HA   GLN  47           HA       GLN  47  -1.286  -9.818   0.108
  345   1HB   GLN  47           HB2      GLN  47   0.382  -7.328  -0.368
  346   2HB   GLN  47           HB1      GLN  47  -0.496  -7.733   1.105
  347   1HG   GLN  47           HG2      GLN  47   1.162  -9.971   0.489
  348   2HG   GLN  47           HG1      GLN  47   2.161  -8.528   0.325
  349   1HE2  GLN  47          HE22      GLN  47   2.561  -8.381   3.813
  350   2HE2  GLN  47          HE21      GLN  47   3.257  -8.238   2.272
  351    H    LEU  48           HN       LEU  48  -0.943  -7.780  -2.738
  352    HA   LEU  48           HA       LEU  48  -3.296  -6.160  -2.277
  353   1HB   LEU  48           HB2      LEU  48  -1.252  -5.674  -3.816
  354   2HB   LEU  48           HB1      LEU  48  -2.085  -6.697  -4.986
  355    HG   LEU  48           HG       LEU  48  -4.090  -4.985  -4.033
  356   1HD1  LEU  48          HD12      LEU  48  -1.479  -3.500  -4.431
  357   2HD1  LEU  48          HD11      LEU  48  -3.064  -2.725  -4.461
  358   3HD1  LEU  48          HD13      LEU  48  -2.493  -3.507  -2.987
  359   1HD2  LEU  48          HD23      LEU  48  -2.589  -5.466  -6.512
  360   2HD2  LEU  48          HD22      LEU  48  -4.316  -5.220  -6.279
  361   3HD2  LEU  48          HD21      LEU  48  -3.237  -3.830  -6.404
  362    H    GLU  49           HN       GLU  49  -2.597  -9.193  -3.929
  363    HA   GLU  49           HA       GLU  49  -5.199  -9.395  -5.210
  364   1HB   GLU  49           HB2      GLU  49  -2.723 -10.832  -5.272
  365   2HB   GLU  49           HB1      GLU  49  -3.984 -11.983  -4.837
  366   1HG   GLU  49           HG2      GLU  49  -4.354 -10.055  -7.129
  367   2HG   GLU  49           HG1      GLU  49  -3.537 -11.603  -7.354
  368    H    ALA  50           HN       ALA  50  -3.705 -10.636  -2.238
  369    HA   ALA  50           HA       ALA  50  -5.866 -12.287  -1.336
  370   1HB   ALA  50           HB1      ALA  50  -3.861 -10.675   0.282
  371   2HB   ALA  50           HB3      ALA  50  -4.891 -11.951   0.930
  372   3HB   ALA  50           HB2      ALA  50  -3.649 -12.340  -0.260
  373    H    ILE  51           HN       ILE  51  -5.135  -8.873  -1.036
  374    HA   ILE  51           HA       ILE  51  -7.566  -8.216   0.474
  375    HB   ILE  51           HB       ILE  51  -5.538  -6.411  -0.886
  376   1HG1  ILE  51          HG12      ILE  51  -5.775  -7.062   2.058
  377   2HG1  ILE  51          HG11      ILE  51  -4.714  -7.965   0.980
  378   1HG2  ILE  51          HG22      ILE  51  -7.748  -5.891   1.121
  379   2HG2  ILE  51          HG21      ILE  51  -6.481  -4.725   0.737
  380   3HG2  ILE  51          HG23      ILE  51  -7.620  -5.236  -0.509
  381   1HD1  ILE  51          HD12      ILE  51  -4.552  -4.979   0.937
  382   2HD1  ILE  51          HD11      ILE  51  -3.827  -5.832   2.300
  383   3HD1  ILE  51          HD13      ILE  51  -3.285  -6.174   0.657
  384    HA   PRO  52           HA       PRO  52  -9.602  -8.446  -3.586
  385   1HB   PRO  52           HB2      PRO  52 -12.138  -7.837  -2.654
  386   2HB   PRO  52           HB1      PRO  52 -11.434  -9.464  -2.691
  387   1HG   PRO  52           HG2      PRO  52 -11.699  -7.574  -0.369
  388   2HG   PRO  52           HG1      PRO  52 -11.827  -9.343  -0.395
  389   1HD   PRO  52           HD2      PRO  52  -9.574  -8.036   0.489
  390   2HD   PRO  52           HD1      PRO  52  -9.520  -9.647  -0.263
  391    H    ALA  53           HN       ALA  53  -9.999  -6.900  -5.075
  392    HA   ALA  53           HA       ALA  53  -9.087  -4.341  -5.006
  393   1HB   ALA  53           HB1      ALA  53 -10.251  -5.757  -6.903
  394   2HB   ALA  53           HB3      ALA  53 -11.637  -4.745  -6.500
  395   3HB   ALA  53           HB2      ALA  53 -10.127  -4.003  -7.028
  396    H    TYR  54           HN       TYR  54 -12.219  -5.328  -3.718
  397    HA   TYR  54           HA       TYR  54 -13.552  -2.864  -3.558
  398   1HB   TYR  54           HB2      TYR  54 -13.832  -5.467  -2.398
  399   2HB   TYR  54           HB1      TYR  54 -14.039  -4.278  -1.112
  400    HD1  TYR  54           HD2      TYR  54 -15.063  -4.893  -4.668
  401    HD2  TYR  54           HD1      TYR  54 -16.126  -3.272  -0.836
  402    HE1  TYR  54           HE2      TYR  54 -17.325  -4.353  -5.525
  403    HE2  TYR  54           HE1      TYR  54 -18.387  -2.729  -1.693
  404    HH   TYR  54           HH       TYR  54 -19.821  -3.979  -4.007
  405    H    CYS  55           HN       CYS  55 -11.890  -4.267  -0.709
  406    HA   CYS  55           HA       CYS  55 -11.526  -1.553   0.410
  407   1HB   CYS  55           HB2      CYS  55 -10.522  -4.119   1.643
  408   2HB   CYS  55           HB1      CYS  55 -10.990  -2.620   2.444
  409    H    ARG  56           HN       ARG  56  -9.789  -3.108  -1.894
  410    HA   ARG  56           HA       ARG  56  -7.133  -3.385  -1.095
  411   1HB   ARG  56           HB2      ARG  56  -8.516  -2.845  -3.606
  412   2HB   ARG  56           HB1      ARG  56  -6.938  -2.061  -3.566
  413   1HG   ARG  56           HG2      ARG  56  -5.921  -4.238  -2.878
  414   2HG   ARG  56           HG1      ARG  56  -7.502  -4.994  -3.068
  415   1HD   ARG  56           HD2      ARG  56  -7.237  -3.684  -5.459
  416   2HD   ARG  56           HD1      ARG  56  -5.570  -4.141  -5.129
  417    HE   ARG  56           HE       ARG  56  -6.796  -6.491  -4.652
  418   1HH1  ARG  56          HH11      ARG  56  -8.057  -4.293  -6.981
  419   2HH1  ARG  56          HH12      ARG  56  -8.175  -5.488  -8.219
  420   1HH2  ARG  56          HH21      ARG  56  -6.674  -7.990  -6.375
  421   2HH2  ARG  56          HH22      ARG  56  -7.410  -7.560  -7.882
  422    H    CYS  57           HN       CYS  57  -7.783  -0.404  -2.949
  423    HA   CYS  57           HA       CYS  57  -5.790   1.242  -2.146
  424   1HB   CYS  57           HB2      CYS  57  -8.686   2.123  -2.284
  425   2HB   CYS  57           HB1      CYS  57  -7.283   3.182  -2.427
  426    H    GLU  58           HN       GLU  58  -8.742   0.938  -0.030
  427    HA   GLU  58           HA       GLU  58  -8.207   2.713   1.990
  428   1HB   GLU  58           HB2      GLU  58  -9.355  -0.040   1.973
  429   2HB   GLU  58           HB1      GLU  58  -9.012   0.699   3.537
  430   1HG   GLU  58           HG2      GLU  58 -10.482   2.269   1.437
  431   2HG   GLU  58           HG1      GLU  58 -11.352   1.096   2.427
  432    H    ALA  59           HN       ALA  59  -6.824  -0.631   1.995
  433    HA   ALA  59           HA       ALA  59  -5.301  -0.630   4.274
  434   1HB   ALA  59           HB2      ALA  59  -4.730  -1.732   1.551
  435   2HB   ALA  59           HB1      ALA  59  -3.536  -1.908   2.836
  436   3HB   ALA  59           HB3      ALA  59  -5.150  -2.594   3.032
  437    H    VAL  60           HN       VAL  60  -4.249   0.895   1.238
  438    HA   VAL  60           HA       VAL  60  -1.659   1.714   2.049
  439    HB   VAL  60           HB       VAL  60  -3.558   3.235   0.233
  440   1HG1  VAL  60          HG11      VAL  60  -0.537   3.162   0.480
  441   2HG1  VAL  60          HG13      VAL  60  -1.405   3.950  -0.838
  442   3HG1  VAL  60          HG12      VAL  60  -1.592   4.536   0.814
  443   1HG2  VAL  60          HG21      VAL  60  -2.764   0.609  -0.083
  444   2HG2  VAL  60          HG23      VAL  60  -3.217   1.689  -1.401
  445   3HG2  VAL  60          HG22      VAL  60  -1.519   1.480  -0.975
  446    H    ARG  61           HN       ARG  61  -4.767   3.448   2.252
  447    HA   ARG  61           HA       ARG  61  -3.855   5.804   3.555
  448   1HB   ARG  61           HB2      ARG  61  -6.401   4.525   2.963
  449   2HB   ARG  61           HB1      ARG  61  -6.437   5.267   4.562
  450   1HG   ARG  61           HG2      ARG  61  -5.929   7.414   3.703
  451   2HG   ARG  61           HG1      ARG  61  -5.379   6.759   2.161
  452   1HD   ARG  61           HD2      ARG  61  -7.520   6.462   1.361
  453   2HD   ARG  61           HD1      ARG  61  -8.194   6.182   2.967
  454    HE   ARG  61           HE       ARG  61  -7.498   8.834   3.078
  455   1HH1  ARG  61          HH21      ARG  61  -7.685   9.634   0.448
  456   2HH1  ARG  61          HH22      ARG  61  -9.372   9.719   0.064
  457   1HH2  ARG  61          HH11      ARG  61 -10.353   7.756   2.750
  458   2HH2  ARG  61          HH12      ARG  61 -10.882   8.656   1.367
  459    H    ILE  62           HN       ILE  62  -4.455   2.587   4.781
  460    HA   ILE  62           HA       ILE  62  -4.501   3.333   7.609
  461    HB   ILE  62           HB       ILE  62  -4.126   0.653   6.220
  462   1HG1  ILE  62          HG12      ILE  62  -6.299   1.799   5.774
  463   2HG1  ILE  62          HG11      ILE  62  -6.487   0.282   6.647
  464   1HG2  ILE  62          HG23      ILE  62  -4.067   1.412   9.063
  465   2HG2  ILE  62          HG22      ILE  62  -5.179   0.092   8.695
  466   3HG2  ILE  62          HG21      ILE  62  -3.473  -0.048   8.270
  467   1HD1  ILE  62          HD13      ILE  62  -6.164   2.658   8.377
  468   2HD1  ILE  62          HD12      ILE  62  -7.637   2.646   7.408
  469   3HD1  ILE  62          HD11      ILE  62  -7.292   1.311   8.509
  470    H    LEU  63           HN       LEU  63  -2.036   2.329   5.303
  471    HA   LEU  63           HA       LEU  63  -0.047   1.842   7.380
  472   1HB   LEU  63           HB2      LEU  63  -0.114   0.858   4.970
  473   2HB   LEU  63           HB1      LEU  63   0.604   2.395   4.488
  474    HG   LEU  63           HG       LEU  63   2.427   2.027   6.147
  475   1HD1  LEU  63          HD11      LEU  63   0.820  -0.467   6.621
  476   2HD1  LEU  63          HD13      LEU  63   2.569  -0.511   6.838
  477   3HD1  LEU  63          HD12      LEU  63   1.589   0.601   7.795
  478   1HD2  LEU  63          HD23      LEU  63   1.904   0.046   3.938
  479   2HD2  LEU  63          HD22      LEU  63   3.040   1.395   3.967
  480   3HD2  LEU  63          HD21      LEU  63   3.376  -0.061   4.903
  481    H    MET  64           HN       MET  64  -0.723   4.497   5.127
  482    HA   MET  64           HA       MET  64   1.482   6.099   6.165
  483   1HB   MET  64           HB2      MET  64   0.436   6.222   3.799
  484   2HB   MET  64           HB1      MET  64  -0.863   7.153   4.549
  485   1HG   MET  64           HG2      MET  64   0.425   9.003   4.643
  486   2HG   MET  64           HG1      MET  64   1.748   8.123   5.405
  487   1HE   MET  64           HE1      MET  64   3.699   8.700   4.597
  488   2HE   MET  64           HE3      MET  64   3.841   7.035   4.018
  489   3HE   MET  64           HE2      MET  64   4.363   8.373   2.999
  490    H    ASP  65           HN       ASP  65  -2.108   6.299   6.384
  491    HA   ASP  65           HA       ASP  65  -1.910   8.430   8.372
  492   1HB   ASP  65           HB2      ASP  65  -4.525   7.031   7.659
  493   2HB   ASP  65           HB1      ASP  65  -4.260   8.660   8.270
  494    H    GLY  66           HN       GLY  66  -2.083   4.962   8.474
  495   1HA   GLY  66           HA2      GLY  66  -1.787   3.610  10.399
  496   2HA   GLY  66           HA1      GLY  66  -1.892   5.057  11.399
  497    H    VAL  67           HN       VAL  67  -3.264   2.417  11.608
  498    HA   VAL  67           HA       VAL  67  -6.110   3.346  11.558
  499    HB   VAL  67           HB       VAL  67  -5.802   1.508  10.014
  500   1HG1  VAL  67          HG11      VAL  67  -4.596   0.037  12.371
  501   2HG1  VAL  67          HG13      VAL  67  -4.949  -0.690  10.804
  502   3HG1  VAL  67          HG12      VAL  67  -3.730   0.578  10.933
  503   1HG2  VAL  67          HG21      VAL  67  -7.838   1.550  11.533
  504   2HG2  VAL  67          HG23      VAL  67  -7.448  -0.022  10.834
  505   3HG2  VAL  67          HG22      VAL  67  -7.025   0.327  12.511
  506    H    VAL  68           HN       VAL  68  -7.451   2.437  13.321
  507    HA   VAL  68           HA       VAL  68  -5.839   2.059  15.799
  508    HB   VAL  68           HB       VAL  68  -8.515   3.422  15.372
  509   1HG1  VAL  68          HG11      VAL  68  -7.144   2.688  17.985
  510   2HG1  VAL  68          HG13      VAL  68  -8.523   3.778  17.847
  511   3HG1  VAL  68          HG12      VAL  68  -8.698   2.076  17.420
  512   1HG2  VAL  68          HG21      VAL  68  -5.719   4.220  16.072
  513   2HG2  VAL  68          HG23      VAL  68  -6.891   5.037  15.036
  514   3HG2  VAL  68          HG22      VAL  68  -7.043   5.138  16.790
  515    H    THR  69           HN       THR  69  -6.790   0.666  17.403
  516    HA   THR  69           HA       THR  69  -8.346  -1.555  16.206
  517    HB   THR  69           HB       THR  69  -7.117  -3.029  17.803
  518    HG1  THR  69           HG1      THR  69  -5.998  -2.089  19.278
  519   1HG2  THR  69          HG22      THR  69  -6.410  -2.422  15.384
  520   2HG2  THR  69          HG21      THR  69  -5.143  -1.467  16.158
  521   3HG2  THR  69          HG23      THR  69  -5.226  -3.208  16.429
  522    H    SER  70           HN       SER  70  -9.585  -2.818  17.658
  523    HA   SER  70           HA       SER  70 -11.435  -1.312  19.195
  524   1HB   SER  70           HB2      SER  70 -11.949  -3.409  17.982
  525   2HB   SER  70           HB1      SER  70 -10.958  -4.299  19.135
  526    HG   SER  70           HG       SER  70 -12.761  -4.404  20.226
  527    H    SER  71           HN       SER  71  -8.443  -2.721  20.081
  528    HA   SER  71           HA       SER  71  -9.078  -2.935  22.944
  529   1HB   SER  71           HB2      SER  71  -6.509  -3.362  23.020
  530   2HB   SER  71           HB1      SER  71  -7.545  -4.588  22.297
  531    HG   SER  71           HG       SER  71  -5.520  -3.473  21.179
  532    H    GLY  72           HN       GLY  72  -7.994  -0.501  20.775
  533   1HA   GLY  72           HA2      GLY  72  -7.867   1.840  21.507
  534   2HA   GLY  72           HA1      GLY  72  -7.318   1.256  23.079
  535    H    GLN  73           HN       GLN  73  -5.851  -0.464  20.472
  536    HA   GLN  73           HA       GLN  73  -3.325   1.096  20.891
  537   1HB   GLN  73           HB2      GLN  73  -3.774  -1.751  19.936
  538   2HB   GLN  73           HB1      GLN  73  -2.196  -0.967  20.047
  539   1HG   GLN  73           HG2      GLN  73  -2.700  -0.524  22.494
  540   2HG   GLN  73           HG1      GLN  73  -4.106  -1.574  22.317
  541   1HE2  GLN  73          HE22      GLN  73  -0.584  -3.278  23.017
  542   2HE2  GLN  73          HE21      GLN  73  -0.935  -1.645  23.320
  543    H    HIS  74           HN       HIS  74  -1.961   1.437  18.923
  544    HA   HIS  74           HA       HIS  74  -3.667   1.705  16.484
  545   1HB   HIS  74           HB2      HIS  74  -1.360   3.323  17.553
  546   2HB   HIS  74           HB1      HIS  74  -1.867   3.437  15.887
  547    HD1  HIS  74           HD1      HIS  74  -2.841   5.794  15.998
  548    HD2  HIS  74           HD2      HIS  74  -4.488   3.237  18.845
  549    HE1  HIS  74           HE1      HIS  74  -4.814   7.019  17.006
  550    H    GLU  75           HN       GLU  75  -2.607   1.270  14.460
  551    HA   GLU  75           HA       GLU  75  -0.086  -0.273  14.598
  552   1HB   GLU  75           HB2      GLU  75  -2.463  -1.204  12.980
  553   2HB   GLU  75           HB1      GLU  75  -0.964  -2.075  13.298
  554   1HG   GLU  75           HG2      GLU  75  -2.823  -1.244  15.530
  555   2HG   GLU  75           HG1      GLU  75  -3.004  -2.779  14.682
  556    H    GLY  76           HN       GLY  76   0.460  -0.875  12.124
  557   1HA   GLY  76           HA2      GLY  76   1.269   0.027  10.114
  558   2HA   GLY  76           HA1      GLY  76  -0.286   0.859  10.014
  559    H    ARG  77           HN       ARG  77   0.582   2.819   9.292
  560    HA   ARG  77           HA       ARG  77   1.558   4.961   9.483
  561   1HB   ARG  77           HB2      ARG  77   0.130   4.446  11.774
  562   2HB   ARG  77           HB1      ARG  77   1.714   4.859  12.427
  563   1HG   ARG  77           HG2      ARG  77   0.825   6.640  10.252
  564   2HG   ARG  77           HG1      ARG  77  -0.209   6.688  11.678
  565   1HD   ARG  77           HD2      ARG  77   2.774   6.815  12.013
  566   2HD   ARG  77           HD1      ARG  77   1.888   8.266  11.550
  567    HE   ARG  77           HE       ARG  77   0.600   7.044  13.798
  568   1HH1  ARG  77          HH11      ARG  77   1.113   9.946  13.704
  569   2HH1  ARG  77          HH12      ARG  77   2.367  10.158  14.879
  570   1HH2  ARG  77          HH21      ARG  77   3.226   6.800  14.964
  571   2HH2  ARG  77          HH22      ARG  77   3.563   8.379  15.592
  572    H    LEU  78           HN       LEU  78   3.318   2.416   9.647
  573    HA   LEU  78           HA       LEU  78   5.567   3.242  11.313
  574   1HB   LEU  78           HB2      LEU  78   4.711   0.827   9.935
  575   2HB   LEU  78           HB1      LEU  78   6.409   1.165   9.616
  576    HG   LEU  78           HG       LEU  78   6.749   1.453  12.091
  577   1HD1  LEU  78          HD11      LEU  78   3.845   0.635  12.053
  578   2HD1  LEU  78          HD13      LEU  78   4.859   0.320  13.461
  579   3HD1  LEU  78          HD12      LEU  78   4.598   1.977  12.915
  580   1HD2  LEU  78          HD22      LEU  78   5.978  -1.076  10.729
  581   2HD2  LEU  78          HD21      LEU  78   7.480  -0.655  11.553
  582   3HD2  LEU  78          HD23      LEU  78   6.068  -1.142  12.489
  583    H    LEU  79           HN       LEU  79   4.517   3.929   8.079
  584    HA   LEU  79           HA       LEU  79   7.061   4.206   6.776
  585   1HB   LEU  79           HB2      LEU  79   4.472   5.746   6.378
  586   2HB   LEU  79           HB1      LEU  79   5.847   5.796   5.276
  587    HG   LEU  79           HG       LEU  79   4.855   3.092   6.004
  588   1HD1  LEU  79          HD12      LEU  79   3.262   5.107   4.423
  589   2HD1  LEU  79          HD11      LEU  79   3.120   3.379   4.102
  590   3HD1  LEU  79          HD13      LEU  79   2.704   4.018   5.693
  591   1HD2  LEU  79          HD23      LEU  79   5.657   4.438   3.403
  592   2HD2  LEU  79          HD22      LEU  79   6.713   3.457   4.419
  593   3HD2  LEU  79          HD21      LEU  79   5.335   2.715   3.605
  594    H    GLN  80           HN       GLN  80   8.534   5.168   8.220
  595    HA   GLN  80           HA       GLN  80   8.087   8.073   8.748
  596   1HB   GLN  80           HB2      GLN  80   9.296   6.092  10.693
  597   2HB   GLN  80           HB1      GLN  80   9.082   7.821  10.966
  598   1HG   GLN  80           HG2      GLN  80   6.540   7.053  10.242
  599   2HG   GLN  80           HG1      GLN  80   7.107   5.635  11.123
  600   1HE2  GLN  80          HE22      GLN  80   7.660   7.613  14.172
  601   2HE2  GLN  80          HE21      GLN  80   8.497   6.472  13.235
  602    H    ASP  81           HN       ASP  81  10.296   8.894   9.736
  603    HA   ASP  81           HA       ASP  81  12.165   9.185   7.716
  604   1HB   ASP  81           HB2      ASP  81  12.415   9.384  10.725
  605   2HB   ASP  81           HB1      ASP  81  13.782   9.731   9.661
  606    H    LEU  82           HN       LEU  82  13.712   8.005   6.884
  607    HA   LEU  82           HA       LEU  82  14.830   5.638   8.320
  608   1HB   LEU  82           HB2      LEU  82  13.783   5.889   5.511
  609   2HB   LEU  82           HB1      LEU  82  15.069   4.744   5.841
  610    HG   LEU  82           HG       LEU  82  12.437   4.820   7.348
  611   1HD1  LEU  82          HD11      LEU  82  12.486   4.191   4.777
  612   2HD1  LEU  82          HD13      LEU  82  13.191   2.686   5.369
  613   3HD1  LEU  82          HD12      LEU  82  11.588   3.182   5.913
  614   1HD2  LEU  82          HD22      LEU  82  14.738   2.843   7.218
  615   2HD2  LEU  82          HD21      LEU  82  14.220   3.772   8.624
  616   3HD2  LEU  82          HD23      LEU  82  13.187   2.495   7.984
  617    HA   PRO  83           HA       PRO  83  18.716   7.437   7.309
  618   1HB   PRO  83           HB2      PRO  83  20.263   5.324   6.433
  619   2HB   PRO  83           HB1      PRO  83  19.879   5.637   8.136
  620   1HG   PRO  83           HG2      PRO  83  18.704   3.597   6.284
  621   2HG   PRO  83           HG1      PRO  83  18.950   3.512   8.037
  622   1HD   PRO  83           HD2      PRO  83  16.500   4.022   6.823
  623   2HD   PRO  83           HD1      PRO  83  16.898   4.472   8.492
  624    H    GLY  84           HN       GLY  84  18.250   8.781   5.603
  625   1HA   GLY  84           HA2      GLY  84  18.861   9.567   3.437
  626   2HA   GLY  84           HA1      GLY  84  19.134   7.903   2.921
  627    H    CYS  85           HN       CYS  85  16.133   8.021   4.536
  628    HA   CYS  85           HA       CYS  85  14.662   8.692   2.027
  629   1HB   CYS  85           HB2      CYS  85  13.800   6.324   3.659
  630   2HB   CYS  85           HB1      CYS  85  13.449   6.694   1.981
  631    HA   PRO  86           HA       PRO  86  12.606  10.710   5.648
  632   1HB   PRO  86           HB2      PRO  86  11.752  12.924   4.241
  633   2HB   PRO  86           HB1      PRO  86  13.323  12.814   5.028
  634   1HG   PRO  86           HG2      PRO  86  12.659  12.625   2.137
  635   2HG   PRO  86           HG1      PRO  86  14.163  13.152   2.909
  636   1HD   PRO  86           HD2      PRO  86  13.737  10.651   1.711
  637   2HD   PRO  86           HD1      PRO  86  15.063  11.040   2.824
  638    H    ARG  87           HN       ARG  87  10.279  11.375   5.945
  639    HA   ARG  87           HA       ARG  87   8.395   9.589   4.900
  640   1HB   ARG  87           HB2      ARG  87   8.090  12.366   6.044
  641   2HB   ARG  87           HB1      ARG  87   6.707  11.348   5.626
  642   1HG   ARG  87           HG2      ARG  87   7.720   9.550   7.007
  643   2HG   ARG  87           HG1      ARG  87   8.923  10.721   7.544
  644   1HD   ARG  87           HD2      ARG  87   7.172  10.666   9.217
  645   2HD   ARG  87           HD1      ARG  87   7.019  12.185   8.332
  646    HE   ARG  87           HE       ARG  87   5.298  10.670   6.930
  647   1HH1  ARG  87          HH21      ARG  87   5.638   8.992   9.620
  648   2HH1  ARG  87          HH22      ARG  87   4.131   9.397  10.372
  649   1HH2  ARG  87          HH11      ARG  87   3.438  12.005   8.200
  650   2HH2  ARG  87          HH12      ARG  87   2.888  11.099   9.570
  651    H    GLN  88           HN       GLN  88   9.632  12.574   3.647
  652    HA   GLN  88           HA       GLN  88   7.513  13.275   1.858
  653   1HB   GLN  88           HB2      GLN  88  10.166  14.193   2.438
  654   2HB   GLN  88           HB1      GLN  88   9.995  14.078   0.688
  655   1HG   GLN  88           HG2      GLN  88   7.745  15.309   2.226
  656   2HG   GLN  88           HG1      GLN  88   9.218  16.258   2.021
  657   1HE2  GLN  88          HE22      GLN  88   6.689  15.911  -1.077
  658   2HE2  GLN  88          HE21      GLN  88   6.290  15.433   0.501
  659    H    VAL  89           HN       VAL  89  10.451  11.295   1.173
  660    HA   VAL  89           HA       VAL  89   9.790  10.918  -1.600
  661    HB   VAL  89           HB       VAL  89  11.616   9.333   0.215
  662   1HG1  VAL  89          HG13      VAL  89  10.851   8.559  -2.237
  663   2HG1  VAL  89          HG12      VAL  89  12.086   9.727  -2.705
  664   3HG1  VAL  89          HG11      VAL  89  12.511   8.357  -1.679
  665   1HG2  VAL  89          HG22      VAL  89  11.854  11.913  -1.250
  666   2HG2  VAL  89          HG21      VAL  89  12.410  11.483   0.368
  667   3HG2  VAL  89          HG23      VAL  89  13.281  10.895  -1.048
  668    H    GLN  90           HN       GLN  90   9.359   8.895   1.305
  669    HA   GLN  90           HA       GLN  90   8.216   6.673  -0.168
  670   1HB   GLN  90           HB2      GLN  90   7.529   5.819   2.048
  671   2HB   GLN  90           HB1      GLN  90   9.215   6.332   2.055
  672   1HG   GLN  90           HG2      GLN  90   8.179   8.638   2.852
  673   2HG   GLN  90           HG1      GLN  90   6.842   7.607   3.366
  674   1HE2  GLN  90          HE22      GLN  90  10.522   6.949   5.100
  675   2HE2  GLN  90          HE21      GLN  90  10.456   7.515   3.501
  676    H    ARG  91           HN       ARG  91   6.973   9.638   1.165
  677    HA   ARG  91           HA       ARG  91   4.161   8.843   1.036
  678   1HB   ARG  91           HB2      ARG  91   5.007  10.581   2.621
  679   2HB   ARG  91           HB1      ARG  91   5.337  11.629   1.242
  680   1HG   ARG  91           HG2      ARG  91   3.141  12.145   0.951
  681   2HG   ARG  91           HG1      ARG  91   2.612  10.494   1.272
  682   1HD   ARG  91           HD2      ARG  91   3.299  11.032   3.742
  683   2HD   ARG  91           HD1      ARG  91   3.162  12.713   3.226
  684    HE   ARG  91           HE       ARG  91   0.819  11.254   2.428
  685   1HH1  ARG  91          HH11      ARG  91   2.049  11.089   5.476
  686   2HH1  ARG  91          HH12      ARG  91   0.794  11.994   6.256
  687   1HH2  ARG  91          HH21      ARG  91  -0.636  13.073   3.288
  688   2HH2  ARG  91          HH22      ARG  91  -0.725  13.117   5.018
  689    H    ALA  92           HN       ALA  92   6.477  10.387  -1.109
  690    HA   ALA  92           HA       ALA  92   4.485  11.379  -2.985
  691   1HB   ALA  92           HB3      ALA  92   7.467  11.194  -2.891
  692   2HB   ALA  92           HB2      ALA  92   6.701  11.407  -4.465
  693   3HB   ALA  92           HB1      ALA  92   6.438  12.595  -3.188
  694    H    PHE  93           HN       PHE  93   6.748   8.613  -2.977
  695    HA   PHE  93           HA       PHE  93   5.731   7.536  -5.487
  696   1HB   PHE  93           HB2      PHE  93   8.068   7.212  -4.828
  697   2HB   PHE  93           HB1      PHE  93   7.551   6.346  -3.387
  698    HD1  PHE  93           HD1      PHE  93   7.353   6.252  -7.117
  699    HD2  PHE  93           HD2      PHE  93   7.178   4.011  -3.455
  700    HE1  PHE  93           HE1      PHE  93   7.280   4.141  -8.413
  701    HE2  PHE  93           HE2      PHE  93   7.107   1.900  -4.752
  702    HZ   PHE  93           HZ       PHE  93   7.159   1.964  -7.231
  703    H    ALA  94           HN       ALA  94   5.023   7.020  -2.088
  704    HA   ALA  94           HA       ALA  94   3.927   4.449  -2.108
  705   1HB   ALA  94           HB2      ALA  94   3.455   6.885  -0.454
  706   2HB   ALA  94           HB1      ALA  94   2.355   5.520  -0.261
  707   3HB   ALA  94           HB3      ALA  94   4.084   5.305   0.016
  708    HA   PRO  95           HA       PRO  95  -0.467   6.205  -3.081
  709   1HB   PRO  95           HB2      PRO  95  -0.599   8.596  -4.439
  710   2HB   PRO  95           HB1      PRO  95  -0.720   8.427  -2.680
  711   1HG   PRO  95           HG2      PRO  95   1.590   9.366  -4.328
  712   2HG   PRO  95           HG1      PRO  95   1.132   9.815  -2.675
  713   1HD   PRO  95           HD2      PRO  95   3.174   8.039  -3.331
  714   2HD   PRO  95           HD1      PRO  95   2.380   8.118  -1.749
  715    H    LYS  96           HN       LYS  96   2.119   5.835  -5.197
  716    HA   LYS  96           HA       LYS  96   0.274   5.535  -7.540
  717   1HB   LYS  96           HB2      LYS  96   3.210   6.231  -7.376
  718   2HB   LYS  96           HB1      LYS  96   2.492   5.618  -8.866
  719   1HG   LYS  96           HG2      LYS  96   0.840   7.725  -7.723
  720   2HG   LYS  96           HG1      LYS  96   2.491   8.289  -7.967
  721   1HD   LYS  96           HD2      LYS  96   1.717   8.692 -10.087
  722   2HD   LYS  96           HD1      LYS  96   2.128   6.991 -10.305
  723   1HE   LYS  96           HE2      LYS  96  -0.044   6.842 -11.009
  724   2HE   LYS  96           HE1      LYS  96  -0.371   6.739  -9.280
  725   1HZ   LYS  96           HZ2      LYS  96  -0.228   9.332 -10.699
  726   2HZ   LYS  96           HZ1      LYS  96  -1.674   8.446 -10.590
  727   3HZ   LYS  96           HZ3      LYS  96  -0.911   8.999  -9.180
  728    H    LEU  97           HN       LEU  97   0.984   3.627  -5.274
  729    HA   LEU  97           HA       LEU  97   2.640   1.528  -6.370
  730   1HB   LEU  97           HB2      LEU  97   1.814   2.126  -3.897
  731   2HB   LEU  97           HB1      LEU  97   0.644   0.864  -4.277
  732    HG   LEU  97           HG       LEU  97   3.383   0.166  -5.092
  733   1HD1  LEU  97          HD11      LEU  97   3.880   1.507  -3.057
  734   2HD1  LEU  97          HD13      LEU  97   2.770   0.489  -2.140
  735   3HD1  LEU  97          HD12      LEU  97   4.237  -0.206  -2.829
  736   1HD2  LEU  97          HD21      LEU  97   1.341  -1.341  -4.936
  737   2HD2  LEU  97          HD23      LEU  97   2.781  -1.952  -4.122
  738   3HD2  LEU  97          HD22      LEU  97   1.480  -1.220  -3.182
  739    H    VAL  98           HN       VAL  98  -0.901   2.057  -6.766
  740    HA   VAL  98           HA       VAL  98  -1.255  -0.745  -7.637
  741    HB   VAL  98           HB       VAL  98  -3.610  -0.142  -7.837
  742   1HG1  VAL  98          HG13      VAL  98  -2.303  -0.625  -5.620
  743   2HG1  VAL  98          HG12      VAL  98  -2.734   1.046  -5.252
  744   3HG1  VAL  98          HG11      VAL  98  -3.998  -0.142  -5.570
  745   1HG2  VAL  98          HG21      VAL  98  -2.634   2.486  -8.112
  746   2HG2  VAL  98          HG23      VAL  98  -4.325   1.997  -8.033
  747   3HG2  VAL  98          HG22      VAL  98  -3.475   2.471  -6.563
  748    H    THR  99           HN       THR  99   0.363   1.271  -9.193
  749    HA   THR  99           HA       THR  99  -1.233   1.480 -11.690
  750    HB   THR  99           HB       THR  99   0.404   3.052 -12.474
  751    HG1  THR  99           HG1      THR  99   2.380   3.318 -11.410
  752   1HG2  THR  99          HG21      THR  99  -1.091   3.791 -10.570
  753   2HG2  THR  99          HG23      THR  99   0.285   3.531  -9.499
  754   3HG2  THR  99          HG22      THR  99   0.386   4.734 -10.785
  755    H    GLU 100           HN       GLU 100   0.182   0.994 -13.796
  756    HA   GLU 100           HA       GLU 100   0.851  -1.772 -13.739
  757   1HB   GLU 100           HB2      GLU 100   1.684   0.337 -15.748
  758   2HB   GLU 100           HB1      GLU 100   1.699  -1.407 -16.017
  759   1HG   GLU 100           HG2      GLU 100  -0.839  -1.182 -15.219
  760   2HG   GLU 100           HG1      GLU 100  -0.626   0.462 -15.823
  761    H    VAL 101           HN       VAL 101   2.792   0.678 -12.313
  762    HA   VAL 101           HA       VAL 101   5.323  -0.660 -13.095
  763    HB   VAL 101           HB       VAL 101   4.902   1.847 -11.440
  764   1HG1  VAL 101          HG13      VAL 101   7.291   0.391 -12.532
  765   2HG1  VAL 101          HG12      VAL 101   7.349   2.147 -12.373
  766   3HG1  VAL 101          HG11      VAL 101   7.071   1.141 -10.952
  767   1HG2  VAL 101          HG23      VAL 101   4.175   1.726 -13.990
  768   2HG2  VAL 101          HG22      VAL 101   5.066   3.116 -13.377
  769   3HG2  VAL 101          HG21      VAL 101   5.913   1.847 -14.262
  770    H    GLU 102           HN       GLU 102   3.018  -1.245 -10.784
  771    HA   GLU 102           HA       GLU 102   5.086  -2.308  -8.931
  772   1HB   GLU 102           HB2      GLU 102   2.961  -0.316  -8.274
  773   2HB   GLU 102           HB1      GLU 102   3.375  -1.522  -7.056
  774   1HG   GLU 102           HG2      GLU 102   5.724  -0.304  -8.350
  775   2HG   GLU 102           HG1      GLU 102   4.730   0.852  -7.466
  776    H    CYS 103           HN       CYS 103   1.615  -2.215  -8.189
  777    HA   CYS 103           HA       CYS 103   1.325  -5.085  -8.967
  778   1HB   CYS 103           HB2      CYS 103   1.163  -3.931  -6.189
  779   2HB   CYS 103           HB1      CYS 103   0.217  -5.356  -6.618
  780    H    ASN 104           HN       ASN 104   0.121  -2.797 -10.240
  781    HA   ASN 104           HA       ASN 104  -2.307  -1.805  -9.441
  782   1HB   ASN 104           HB2      ASN 104  -1.248  -1.337 -11.611
  783   2HB   ASN 104           HB1      ASN 104  -1.698  -2.930 -12.185
  784   1HD2  ASN 104          HD22      ASN 104  -4.347  -0.773 -13.500
  785   2HD2  ASN 104          HD21      ASN 104  -2.726  -1.164 -13.821
  786    H    LEU 105           HN       LEU 105  -2.190  -4.819 -11.423
  787    HA   LEU 105           HA       LEU 105  -3.841  -6.503 -11.656
  788   1HB   LEU 105           HB2      LEU 105  -3.869  -6.170  -8.635
  789   2HB   LEU 105           HB1      LEU 105  -4.429  -7.588  -9.521
  790    HG   LEU 105           HG       LEU 105  -1.657  -6.647 -10.088
  791   1HD1  LEU 105          HD11      LEU 105  -2.567  -7.872  -7.483
  792   2HD1  LEU 105          HD13      LEU 105  -0.937  -8.143  -8.099
  793   3HD1  LEU 105          HD12      LEU 105  -1.481  -6.506  -7.736
  794   1HD2  LEU 105          HD21      LEU 105  -3.009  -8.700 -11.031
  795   2HD2  LEU 105          HD23      LEU 105  -1.306  -8.898 -10.614
  796   3HD2  LEU 105          HD22      LEU 105  -2.556  -9.455  -9.502
  797    H    ALA 106           HN       ALA 106  -4.837  -3.673 -11.738
  798    HA   ALA 106           HA       ALA 106  -6.874  -2.561 -11.935
  799   1HB   ALA 106           HB2      ALA 106  -7.538  -5.073 -12.603
  800   2HB   ALA 106           HB1      ALA 106  -8.424  -4.979 -11.082
  801   3HB   ALA 106           HB3      ALA 106  -8.764  -3.828 -12.373
  802    H    THR 107           HN       THR 107  -8.552  -1.679 -10.528
  803    HA   THR 107           HA       THR 107  -8.152  -2.306  -7.620
  804    HB   THR 107           HB       THR 107  -7.924  -0.016  -7.064
  805    HG1  THR 107           HG1      THR 107  -9.054   0.503  -9.620
  806   1HG2  THR 107          HG21      THR 107  -6.176  -1.016  -8.856
  807   2HG2  THR 107          HG23      THR 107  -6.758   0.382  -9.758
  808   3HG2  THR 107          HG22      THR 107  -6.030   0.602  -8.166
  809    H    ILE 108           HN       ILE 108 -10.128  -0.498  -6.660
  810    HA   ILE 108           HA       ILE 108 -12.577  -1.919  -7.290
  811    HB   ILE 108           HB       ILE 108 -12.193  -0.840  -5.075
  812   1HG1  ILE 108          HG12      ILE 108 -14.528   0.479  -6.476
  813   2HG1  ILE 108          HG11      ILE 108 -14.507  -1.242  -6.087
  814   1HG2  ILE 108          HG23      ILE 108 -11.038   1.197  -6.051
  815   2HG2  ILE 108          HG22      ILE 108 -12.632   1.783  -6.526
  816   3HG2  ILE 108          HG21      ILE 108 -12.249   1.555  -4.820
  817   1HD1  ILE 108          HD11      ILE 108 -13.975  -0.545  -3.684
  818   2HD1  ILE 108          HD13      ILE 108 -14.397   1.095  -4.173
  819   3HD1  ILE 108          HD12      ILE 108 -15.605  -0.188  -4.251
  820    H    HIS 109           HN       HIS 109 -11.052   1.058  -8.335
  821    HA   HIS 109           HA       HIS 109 -13.220   2.229  -9.775
  822   1HB   HIS 109           HB2      HIS 109 -10.210   2.494 -10.078
  823   2HB   HIS 109           HB1      HIS 109 -11.380   3.500 -10.925
  824    HD1  HIS 109           HD1      HIS 109 -13.049   4.895  -9.311
  825    HD2  HIS 109           HD2      HIS 109  -9.601   3.384  -7.521
  826    HE1  HIS 109           HE1      HIS 109 -12.707   6.203  -7.182
  827    H    GLY 110           HN       GLY 110 -11.596  -0.689 -10.499
  828   1HA   GLY 110           HA2      GLY 110 -11.557  -2.036 -12.402
  829   2HA   GLY 110           HA1      GLY 110 -12.863  -1.024 -13.023
  830    H    GLY 111           HN       GLY 111  -9.547  -0.045 -12.160
  831   1HA   GLY 111           HA2      GLY 111  -8.512   0.053 -14.839
  832   2HA   GLY 111           HA1      GLY 111  -9.130   1.641 -14.388
  833    HA   PRO 112           HA       PRO 112  -4.806   0.949 -12.593
  834   1HB   PRO 112           HB2      PRO 112  -3.370   2.493 -14.374
  835   2HB   PRO 112           HB1      PRO 112  -3.580   0.747 -14.540
  836   1HG   PRO 112           HG2      PRO 112  -4.850   2.950 -16.080
  837   2HG   PRO 112           HG1      PRO 112  -4.587   1.265 -16.554
  838   1HD   PRO 112           HD2      PRO 112  -7.042   2.396 -15.688
  839   2HD   PRO 112           HD1      PRO 112  -6.694   0.667 -15.891
  840    H    PHE 113           HN       PHE 113  -6.147   2.401 -11.093
  841    HA   PHE 113           HA       PHE 113  -4.737   4.757 -10.476
  842   1HB   PHE 113           HB2      PHE 113  -6.456   6.513 -10.999
  843   2HB   PHE 113           HB1      PHE 113  -5.655   5.841 -12.411
  844    HD1  PHE 113           HD1      PHE 113  -6.848   4.282 -13.909
  845    HD2  PHE 113           HD2      PHE 113  -8.835   6.151 -10.588
  846    HE1  PHE 113           HE1      PHE 113  -9.037   3.720 -14.913
  847    HE2  PHE 113           HE2      PHE 113 -11.027   5.582 -11.596
  848    HZ   PHE 113           HZ       PHE 113 -11.130   4.377 -13.766
  849    H    CYS 114           HN       CYS 114  -5.622   5.901  -8.603
  850    HA   CYS 114           HA       CYS 114  -8.098   5.329  -7.339
  851   1HB   CYS 114           HB2      CYS 114  -6.760   3.030  -7.246
  852   2HB   CYS 114           HB1      CYS 114  -5.901   3.840  -5.973
  853    H    LEU 115           HN       LEU 115  -8.126   6.299  -5.120
  854    HA   LEU 115           HA       LEU 115  -7.539   8.011  -3.631
  855   1HB   LEU 115           HB2      LEU 115  -5.300   6.225  -3.895
  856   2HB   LEU 115           HB1      LEU 115  -4.681   7.867  -3.720
  857    HG   LEU 115           HG       LEU 115  -6.321   8.102  -1.756
  858   1HD1  LEU 115          HD13      LEU 115  -6.592   5.213  -2.469
  859   2HD1  LEU 115          HD12      LEU 115  -6.585   5.638  -0.758
  860   3HD1  LEU 115          HD11      LEU 115  -7.800   6.329  -1.833
  861   1HD2  LEU 115          HD23      LEU 115  -3.802   7.706  -1.631
  862   2HD2  LEU 115          HD22      LEU 115  -4.722   7.184  -0.219
  863   3HD2  LEU 115          HD21      LEU 115  -4.171   5.997  -1.401
  864    H    SER 116           HN       SER 116  -7.501   8.496  -6.672
  865    HA   SER 116           HA       SER 116  -6.508  11.239  -6.542
  866   1HB   SER 116           HB2      SER 116  -4.636   9.374  -7.293
  867   2HB   SER 116           HB1      SER 116  -5.305   9.848  -8.852
  868    HG   SER 116           HG       SER 116  -4.125  11.470  -6.852
  869    H    LEU 117           HN       LEU 117  -7.021   8.896  -9.208
  870    HA   LEU 117           HA       LEU 117  -8.533   8.916 -11.005
  871   1HB   LEU 117           HB2      LEU 117 -10.018   9.379  -8.683
  872   2HB   LEU 117           HB1      LEU 117 -10.537  10.664  -9.773
  873    HG   LEU 117           HG       LEU 117 -10.350   7.797 -10.703
  874   1HD1  LEU 117          HD12      LEU 117 -12.725   9.194  -9.438
  875   2HD1  LEU 117          HD11      LEU 117 -12.783   7.628 -10.247
  876   3HD1  LEU 117          HD13      LEU 117 -11.849   7.819  -8.763
  877   1HD2  LEU 117          HD22      LEU 117 -11.806  10.289 -11.619
  878   2HD2  LEU 117          HD21      LEU 117 -10.542   9.408 -12.479
  879   3HD2  LEU 117          HD23      LEU 117 -12.137   8.685 -12.274
  880    H    LEU 118           HN       LEU 118  -6.499  11.077 -10.651
  881    HA   LEU 118           HA       LEU 118  -5.800  12.897 -11.890
  882   1HB   LEU 118           HB2      LEU 118  -8.441  12.470 -13.244
  883   2HB   LEU 118           HB1      LEU 118  -7.550  13.954 -13.505
  884    HG   LEU 118           HG       LEU 118  -6.284  11.224 -13.770
  885   1HD1  LEU 118          HD13      LEU 118  -8.300  11.703 -15.325
  886   2HD1  LEU 118          HD12      LEU 118  -7.257  12.911 -16.076
  887   3HD1  LEU 118          HD11      LEU 118  -6.785  11.211 -16.083
  888   1HD2  LEU 118          HD21      LEU 118  -5.506  14.062 -14.279
  889   2HD2  LEU 118          HD23      LEU 118  -4.523  12.716 -13.704
  890   3HD2  LEU 118          HD22      LEU 118  -4.919  12.849 -15.418
  891    H    GLY 119           HN       GLY 119  -8.604  13.144  -9.854
  892   1HA   GLY 119           HA2      GLY 119  -8.254  15.121  -8.252
  893   2HA   GLY 119           HA1      GLY 119  -8.246  16.096  -9.721
  894    H    ALA 120           HN       ALA 120 -10.115  16.882  -8.024
  895    HA   ALA 120           HA       ALA 120 -12.666  15.481  -8.634
  896   1HB   ALA 120           HB2      ALA 120 -11.861  16.353  -6.274
  897   2HB   ALA 120           HB1      ALA 120 -12.471  17.899  -6.867
  898   3HB   ALA 120           HB3      ALA 120 -13.554  16.512  -6.743
  899    H    GLY 121           HN       GLY 121 -11.483  16.729 -10.807
  900   1HA   GLY 121           HA2      GLY 121 -12.845  19.337 -11.189
  901   2HA   GLY 121           HA1      GLY 121 -11.664  18.622 -12.286
  902    H    GLU 122           HN       GLU 122 -14.275  16.652 -11.042
  903    HA   GLU 122           HA       GLU 122 -15.433  16.520 -13.786
  904   1HB   GLU 122           HB2      GLU 122 -15.275  14.611 -11.478
  905   2HB   GLU 122           HB1      GLU 122 -16.607  14.453 -12.622
  906   1HG   GLU 122           HG2      GLU 122 -14.360  14.802 -14.251
  907   2HG   GLU 122           HG1      GLU 122 -13.787  13.755 -12.953
   
  No H/Q in entry =         907
  Start of MODEL          13
 Raw file had  930 H/Q atoms
  Start of MODEL   13
    1   1H    SER   1           HT2      SER   1 -13.749 -18.247   3.825
    2   2H    SER   1           HT1      SER   1 -12.203 -17.787   4.356
    3   3H    SER   1           HT3      SER   1 -13.542 -16.807   4.702
    4    HA   SER   1           HA       SER   1 -12.459 -15.736   2.941
    5   1HB   SER   1           HB2      SER   1 -12.071 -18.555   2.027
    6   2HB   SER   1           HB1      SER   1 -12.164 -17.299   0.796
    7    HG   SER   1           HG       SER   1 -10.432 -16.287   1.710
    8    H    VAL   2           HN       VAL   2 -15.236 -16.433   3.728
    9    HA   VAL   2           HA       VAL   2 -16.583 -16.293   1.074
   10    HB   VAL   2           HB       VAL   2 -17.482 -18.166   2.169
   11   1HG1  VAL   2          HG12      VAL   2 -16.963 -16.624   4.631
   12   2HG1  VAL   2          HG11      VAL   2 -18.415 -17.622   4.673
   13   3HG1  VAL   2          HG13      VAL   2 -16.850 -18.358   4.333
   14   1HG2  VAL   2          HG23      VAL   2 -19.149 -16.035   1.682
   15   2HG2  VAL   2          HG22      VAL   2 -19.690 -17.667   2.072
   16   3HG2  VAL   2          HG21      VAL   2 -19.569 -16.451   3.344
   17    H    GLY   3           HN       GLY   3 -18.178 -15.200   4.050
   18   1HA   GLY   3           HA2      GLY   3 -18.814 -12.646   2.911
   19   2HA   GLY   3           HA1      GLY   3 -19.065 -13.105   4.595
   20    H    THR   4           HN       THR   4 -17.685 -12.290   6.113
   21    HA   THR   4           HA       THR   4 -16.151 -10.763   7.004
   22    HB   THR   4           HB       THR   4 -14.770 -12.747   6.929
   23    HG1  THR   4           HG1      THR   4 -12.941 -11.690   7.134
   24   1HG2  THR   4          HG21      THR   4 -14.242 -11.953   4.058
   25   2HG2  THR   4          HG23      THR   4 -13.294 -13.155   4.930
   26   3HG2  THR   4          HG22      THR   4 -15.008 -13.434   4.632
   27    H    SER   5           HN       SER   5 -17.423  -9.203   5.518
   28    HA   SER   5           HA       SER   5 -16.074  -8.099   3.201
   29   1HB   SER   5           HB2      SER   5 -18.550  -7.631   4.686
   30   2HB   SER   5           HB1      SER   5 -17.812  -6.135   4.124
   31    HG   SER   5           HG       SER   5 -19.068  -8.093   2.726
   32    H    CYS   6           HN       CYS   6 -13.894  -7.695   4.108
   33    HA   CYS   6           HA       CYS   6 -12.232  -6.357   5.050
   34   1HB   CYS   6           HB2      CYS   6 -14.376  -4.215   5.012
   35   2HB   CYS   6           HB1      CYS   6 -12.628  -3.969   5.020
   36    H    ILE   7           HN       ILE   7 -11.828  -7.136   7.073
   37    HA   ILE   7           HA       ILE   7 -13.314  -5.897   9.346
   38    HB   ILE   7           HB       ILE   7 -12.469  -8.805   9.088
   39   1HG1  ILE   7          HG12      ILE   7 -15.238  -7.634   9.440
   40   2HG1  ILE   7          HG11      ILE   7 -14.556  -8.034   7.863
   41   1HG2  ILE   7          HG21      ILE   7 -12.212  -7.829  11.399
   42   2HG2  ILE   7          HG23      ILE   7 -13.937  -7.465  11.375
   43   3HG2  ILE   7          HG22      ILE   7 -13.390  -9.139  11.298
   44   1HD1  ILE   7          HD11      ILE   7 -14.416 -10.135   9.973
   45   2HD1  ILE   7          HD13      ILE   7 -15.999  -9.802   9.271
   46   3HD1  ILE   7          HD12      ILE   7 -14.663 -10.300   8.237
   47    HA   PRO   8           HA       PRO   8  -9.108  -5.056  10.594
   48   1HB   PRO   8           HB2      PRO   8  -9.580  -4.276  13.186
   49   2HB   PRO   8           HB1      PRO   8  -9.885  -3.248  11.777
   50   1HG   PRO   8           HG2      PRO   8 -11.836  -4.685  13.505
   51   2HG   PRO   8           HG1      PRO   8 -12.063  -3.223  12.533
   52   1HD   PRO   8           HD2      PRO   8 -12.918  -5.824  11.845
   53   2HD   PRO   8           HD1      PRO   8 -12.853  -4.426  10.756
   54    H    GLY   9           HN       GLY   9  -8.084  -7.164  10.688
   55   1HA   GLY   9           HA2      GLY   9  -6.816  -8.549  12.281
   56   2HA   GLY   9           HA1      GLY   9  -8.220  -8.532  13.342
   57    H    MET  10           HN       MET  10  -9.712  -8.933  10.497
   58    HA   MET  10           HA       MET  10  -9.289 -11.887  10.393
   59   1HB   MET  10           HB2      MET  10 -11.930 -10.417  10.139
   60   2HB   MET  10           HB1      MET  10 -11.701 -12.164  10.064
   61   1HG   MET  10           HG2      MET  10 -10.649 -10.724  12.464
   62   2HG   MET  10           HG1      MET  10 -12.393 -10.954  12.340
   63   1HE   MET  10           HE2      MET  10  -9.553 -11.969  13.873
   64   2HE   MET  10           HE1      MET  10 -10.987 -12.337  14.827
   65   3HE   MET  10           HE3      MET  10  -9.843 -13.620  14.413
   66    H    ALA  11           HN       ALA  11  -8.359 -12.190   8.236
   67    HA   ALA  11           HA       ALA  11  -8.415 -12.243   5.885
   68   1HB   ALA  11           HB1      ALA  11 -10.941 -11.579   6.116
   69   2HB   ALA  11           HB3      ALA  11 -10.366  -9.951   5.752
   70   3HB   ALA  11           HB2      ALA  11 -10.106 -11.258   4.597
   71    H    ILE  12           HN       ILE  12  -8.813  -8.925   7.228
   72    HA   ILE  12           HA       ILE  12  -6.349  -8.154   5.737
   73    HB   ILE  12           HB       ILE  12  -8.563  -6.358   6.771
   74   1HG1  ILE  12          HG12      ILE  12  -7.884  -7.280   3.958
   75   2HG1  ILE  12          HG11      ILE  12  -9.300  -7.769   4.884
   76   1HG2  ILE  12          HG23      ILE  12  -5.926  -5.716   6.267
   77   2HG2  ILE  12          HG22      ILE  12  -6.691  -5.374   4.716
   78   3HG2  ILE  12          HG21      ILE  12  -7.271  -4.580   6.180
   79   1HD1  ILE  12          HD13      ILE  12  -9.365  -4.973   4.971
   80   2HD1  ILE  12          HD12      ILE  12  -8.864  -5.343   3.321
   81   3HD1  ILE  12          HD11      ILE  12 -10.369  -6.008   3.955
   82    HA   PRO  13           HA       PRO  13  -5.214  -8.084  10.161
   83   1HB   PRO  13           HB2      PRO  13  -2.549  -8.624   9.833
   84   2HB   PRO  13           HB1      PRO  13  -3.808  -9.865   9.905
   85   1HG   PRO  13           HG2      PRO  13  -2.244  -8.943   7.568
   86   2HG   PRO  13           HG1      PRO  13  -3.155 -10.446   7.779
   87   1HD   PRO  13           HD2      PRO  13  -3.943  -8.101   6.329
   88   2HD   PRO  13           HD1      PRO  13  -4.905  -9.582   6.579
   89    H    HIS  14           HN       HIS  14  -3.468  -6.886  11.383
   90    HA   HIS  14           HA       HIS  14  -3.382  -4.136  10.505
   91   1HB   HIS  14           HB2      HIS  14  -2.045  -5.451  12.908
   92   2HB   HIS  14           HB1      HIS  14  -2.477  -3.767  12.725
   93    HD1  HIS  14           HD1      HIS  14  -4.927  -3.077  13.178
   94    HD2  HIS  14           HD2      HIS  14  -4.315  -7.200  13.296
   95    HE1  HIS  14           HE1      HIS  14  -7.083  -4.101  14.065
   96    H    ASN  15           HN       ASN  15  -1.366  -2.945  10.029
   97    HA   ASN  15           HA       ASN  15   0.784  -2.668   9.166
   98   1HB   ASN  15           HB2      ASN  15   1.329  -4.027  11.306
   99   2HB   ASN  15           HB1      ASN  15   1.495  -5.408  10.221
  100   1HD2  ASN  15          HD22      ASN  15   4.470  -2.692  10.432
  101   2HD2  ASN  15          HD21      ASN  15   3.122  -2.636  11.461
  102    HA   PRO  16           HA       PRO  16  -0.424  -5.724   5.772
  103   1HB   PRO  16           HB2      PRO  16  -1.838  -4.016   4.170
  104   2HB   PRO  16           HB1      PRO  16  -2.592  -4.996   5.436
  105   1HG   PRO  16           HG2      PRO  16  -1.969  -2.068   5.440
  106   2HG   PRO  16           HG1      PRO  16  -3.284  -2.937   6.249
  107   1HD   PRO  16           HD2      PRO  16  -0.946  -2.034   7.525
  108   2HD   PRO  16           HD1      PRO  16  -2.056  -3.285   8.127
  109    H    LEU  17           HN       LEU  17   0.309  -5.609   3.525
  110    HA   LEU  17           HA       LEU  17   1.990  -5.159   1.964
  111   1HB   LEU  17           HB2      LEU  17   0.854  -2.417   2.560
  112   2HB   LEU  17           HB1      LEU  17   2.031  -2.687   1.285
  113    HG   LEU  17           HG       LEU  17  -0.144  -2.736   0.265
  114   1HD1  LEU  17          HD13      LEU  17   1.504  -4.543  -0.408
  115   2HD1  LEU  17          HD12      LEU  17   0.599  -5.644   0.630
  116   3HD1  LEU  17          HD11      LEU  17  -0.187  -4.899  -0.760
  117   1HD2  LEU  17          HD23      LEU  17  -1.317  -3.213   2.468
  118   2HD2  LEU  17          HD22      LEU  17  -1.986  -4.026   1.055
  119   3HD2  LEU  17          HD21      LEU  17  -0.970  -4.919   2.185
  120    H    ASP  18           HN       ASP  18   3.169  -5.618   4.411
  121    HA   ASP  18           HA       ASP  18   4.947  -3.515   5.283
  122   1HB   ASP  18           HB2      ASP  18   6.217  -5.354   6.403
  123   2HB   ASP  18           HB1      ASP  18   4.484  -5.427   6.740
  124    H    SER  19           HN       SER  19   5.150  -6.045   2.877
  125    HA   SER  19           HA       SER  19   7.938  -5.798   2.234
  126   1HB   SER  19           HB2      SER  19   5.958  -7.513   1.490
  127   2HB   SER  19           HB1      SER  19   6.066  -6.512   0.045
  128    HG   SER  19           HG       SER  19   8.080  -8.043   1.316
  129    H    CYS  20           HN       CYS  20   5.097  -3.956   1.376
  130    HA   CYS  20           HA       CYS  20   6.189  -2.601  -0.924
  131   1HB   CYS  20           HB2      CYS  20   3.876  -2.107   0.920
  132   2HB   CYS  20           HB1      CYS  20   4.316  -0.930  -0.312
  133    H    ARG  21           HN       ARG  21   5.867  -1.792   2.516
  134    HA   ARG  21           HA       ARG  21   7.014   0.797   2.432
  135   1HB   ARG  21           HB2      ARG  21   6.311   0.695   4.569
  136   2HB   ARG  21           HB1      ARG  21   6.050  -1.033   4.413
  137   1HG   ARG  21           HG2      ARG  21   8.246  -1.530   5.240
  138   2HG   ARG  21           HG1      ARG  21   8.763   0.149   5.076
  139   1HD   ARG  21           HD2      ARG  21   7.192   0.838   6.818
  140   2HD   ARG  21           HD1      ARG  21   6.577  -0.810   6.948
  141    HE   ARG  21           HE       ARG  21   9.307   0.059   7.790
  142   1HH1  ARG  21          HH21      ARG  21   7.615  -2.732   7.015
  143   2HH1  ARG  21          HH22      ARG  21   7.884  -3.528   8.530
  144   1HH2  ARG  21          HH11      ARG  21   9.273  -0.745  10.056
  145   2HH2  ARG  21          HH12      ARG  21   8.821  -2.405  10.248
  146    H    TRP  22           HN       TRP  22   8.595  -2.327   3.264
  147    HA   TRP  22           HA       TRP  22  11.222  -1.204   3.382
  148   1HB   TRP  22           HB2      TRP  22  10.304  -4.047   3.101
  149   2HB   TRP  22           HB1      TRP  22  11.998  -3.622   2.939
  150    HD1  TRP  22           HD1      TRP  22   9.763  -4.663   5.504
  151    HE1  TRP  22           HE1      TRP  22  10.567  -3.892   7.845
  152    HE3  TRP  22           HE3      TRP  22  13.125  -1.287   4.054
  153    HZ2  TRP  22           HZ2      TRP  22  12.480  -1.997   8.924
  154    HZ3  TRP  22           HZ3      TRP  22  14.475   0.033   5.698
  155    HH2  TRP  22           HH2      TRP  22  14.149  -0.330   8.135
  156    H    TYR  23           HN       TYR  23   9.246  -2.292   0.716
  157    HA   TYR  23           HA       TYR  23  11.349  -2.561  -1.234
  158   1HB   TYR  23           HB2      TYR  23   9.033  -3.444  -1.557
  159   2HB   TYR  23           HB1      TYR  23   8.455  -1.788  -1.764
  160    HD1  TYR  23           HD1      TYR  23   9.923  -0.388  -3.595
  161    HD2  TYR  23           HD2      TYR  23   9.555  -4.648  -3.416
  162    HE1  TYR  23           HE1      TYR  23  10.617  -0.538  -5.961
  163    HE2  TYR  23           HE2      TYR  23  10.263  -4.811  -5.781
  164    HH   TYR  23           HH       TYR  23  11.628  -2.198  -7.477
  165    H    VAL  24           HN       VAL  24   9.509   0.175   0.055
  166    HA   VAL  24           HA       VAL  24  10.463   2.065  -1.938
  167    HB   VAL  24           HB       VAL  24   9.575   2.643   0.904
  168   1HG1  VAL  24          HG12      VAL  24   9.884   4.396  -1.552
  169   2HG1  VAL  24          HG11      VAL  24   9.127   4.919  -0.048
  170   3HG1  VAL  24          HG13      VAL  24  10.835   4.482  -0.069
  171   1HG2  VAL  24          HG21      VAL  24   8.087   2.023  -1.588
  172   2HG2  VAL  24          HG23      VAL  24   7.578   1.859   0.093
  173   3HG2  VAL  24          HG22      VAL  24   7.512   3.432  -0.698
  174    H    SER  25           HN       SER  25  11.502   1.042   1.303
  175    HA   SER  25           HA       SER  25  13.624   2.874   1.666
  176   1HB   SER  25           HB2      SER  25  13.879   0.001   2.519
  177   2HB   SER  25           HB1      SER  25  14.445   1.450   3.344
  178    HG   SER  25           HG       SER  25  12.164   2.009   3.538
  179    H    THR  26           HN       THR  26  13.686  -0.290   0.015
  180    HA   THR  26           HA       THR  26  16.507  -0.162  -0.633
  181    HB   THR  26           HB       THR  26  14.244  -1.968  -1.524
  182    HG1  THR  26           HG1      THR  26  16.539  -2.465   0.048
  183   1HG2  THR  26          HG21      THR  26  17.082  -1.851  -2.473
  184   2HG2  THR  26          HG23      THR  26  16.355  -3.437  -2.213
  185   3HG2  THR  26          HG22      THR  26  15.625  -2.308  -3.354
  186    H    ARG  27           HN       ARG  27  13.598   0.119  -2.679
  187    HA   ARG  27           HA       ARG  27  14.948   0.664  -5.110
  188   1HB   ARG  27           HB2      ARG  27  12.508   0.028  -4.806
  189   2HB   ARG  27           HB1      ARG  27  12.212   1.710  -4.363
  190   1HG   ARG  27           HG2      ARG  27  11.881   1.974  -6.604
  191   2HG   ARG  27           HG1      ARG  27  13.641   2.054  -6.654
  192   1HD   ARG  27           HD2      ARG  27  12.682  -0.706  -6.659
  193   2HD   ARG  27           HD1      ARG  27  12.042   0.219  -8.017
  194    HE   ARG  27           HE       ARG  27  14.879   0.670  -7.703
  195   1HH1  ARG  27          HH11      ARG  27  13.916  -2.378  -7.755
  196   2HH1  ARG  27          HH12      ARG  27  14.307  -2.743  -9.401
  197   1HH2  ARG  27          HH21      ARG  27  14.775   0.574 -10.301
  198   2HH2  ARG  27          HH22      ARG  27  14.795  -1.070 -10.844
  199    H    THR  28           HN       THR  28  14.218   2.734  -2.400
  200    HA   THR  28           HA       THR  28  14.790   5.160  -3.983
  201    HB   THR  28           HB       THR  28  13.951   6.415  -2.081
  202    HG1  THR  28           HG1      THR  28  13.253   5.213  -0.229
  203   1HG2  THR  28          HG21      THR  28  12.352   3.976  -2.830
  204   2HG2  THR  28          HG23      THR  28  11.700   5.257  -1.809
  205   3HG2  THR  28          HG22      THR  28  12.203   5.615  -3.458
  206    H    CYS  29           HN       CYS  29  15.955   4.028  -0.720
  207    HA   CYS  29           HA       CYS  29  18.477   5.516  -1.265
  208   1HB   CYS  29           HB2      CYS  29  17.788   4.260   1.376
  209   2HB   CYS  29           HB1      CYS  29  18.825   5.646   1.049
  210    H    GLY  30           HN       GLY  30  17.550   2.565  -1.962
  211   1HA   GLY  30           HA2      GLY  30  18.663   0.504  -2.269
  212   2HA   GLY  30           HA1      GLY  30  20.164   1.390  -1.996
  213    H    VAL  31           HN       VAL  31  17.793   1.644   0.520
  214    HA   VAL  31           HA       VAL  31  19.451  -0.089   2.295
  215    HB   VAL  31           HB       VAL  31  17.355   1.989   3.018
  216   1HG1  VAL  31          HG11      VAL  31  19.344   0.382   4.638
  217   2HG1  VAL  31          HG13      VAL  31  18.540   1.823   5.262
  218   3HG1  VAL  31          HG12      VAL  31  17.589   0.409   4.809
  219   1HG2  VAL  31          HG23      VAL  31  19.347   2.963   1.900
  220   2HG2  VAL  31          HG22      VAL  31  19.260   3.423   3.598
  221   3HG2  VAL  31          HG21      VAL  31  20.383   2.166   3.082
  222    H    GLY  32           HN       GLY  32  18.180  -1.386   3.946
  223   1HA   GLY  32           HA2      GLY  32  15.758  -2.171   4.414
  224   2HA   GLY  32           HA1      GLY  32  15.739  -2.475   2.672
  225    HA   PRO  33           HA       PRO  33  17.535  -6.219   5.022
  226   1HB   PRO  33           HB2      PRO  33  15.700  -8.107   4.147
  227   2HB   PRO  33           HB1      PRO  33  15.592  -7.246   5.692
  228   1HG   PRO  33           HG2      PRO  33  14.090  -6.760   3.146
  229   2HG   PRO  33           HG1      PRO  33  13.553  -6.568   4.824
  230   1HD   PRO  33           HD2      PRO  33  14.266  -4.465   3.220
  231   2HD   PRO  33           HD1      PRO  33  14.385  -4.433   4.994
  232    H    ARG  34           HN       ARG  34  18.295  -8.335   3.797
  233    HA   ARG  34           HA       ARG  34  19.206  -7.457   1.133
  234   1HB   ARG  34           HB2      ARG  34  20.460  -8.772   3.232
  235   2HB   ARG  34           HB1      ARG  34  20.171 -10.066   2.070
  236   1HG   ARG  34           HG2      ARG  34  21.465  -9.046   0.410
  237   2HG   ARG  34           HG1      ARG  34  21.299  -7.444   1.128
  238   1HD   ARG  34           HD2      ARG  34  22.931  -7.843   2.734
  239   2HD   ARG  34           HD1      ARG  34  22.689  -9.590   2.692
  240    HE   ARG  34           HE       ARG  34  23.964  -9.645   0.588
  241   1HH1  ARG  34          HH11      ARG  34  23.662  -6.953  -0.484
  242   2HH1  ARG  34          HH12      ARG  34  25.140  -6.167  -0.042
  243   1HH2  ARG  34          HH21      ARG  34  25.974  -8.511   2.373
  244   2HH2  ARG  34          HH22      ARG  34  26.449  -7.050   1.576
  245    H    LEU  35           HN       LEU  35  17.235  -7.743   0.040
  246    HA   LEU  35           HA       LEU  35  16.751 -10.533  -0.865
  247   1HB   LEU  35           HB2      LEU  35  14.544  -8.587  -0.107
  248   2HB   LEU  35           HB1      LEU  35  14.322 -10.217  -0.746
  249    HG   LEU  35           HG       LEU  35  15.775  -9.588   1.838
  250   1HD1  LEU  35          HD12      LEU  35  13.163  -9.184   1.582
  251   2HD1  LEU  35          HD11      LEU  35  13.106 -10.939   1.738
  252   3HD1  LEU  35          HD13      LEU  35  13.822  -9.962   3.021
  253   1HD2  LEU  35          HD21      LEU  35  15.603 -11.936   0.181
  254   2HD2  LEU  35          HD23      LEU  35  16.439 -11.739   1.720
  255   3HD2  LEU  35          HD22      LEU  35  14.754 -12.253   1.693
  256    H    ALA  36           HN       ALA  36  16.160 -10.622  -3.074
  257    HA   ALA  36           HA       ALA  36  17.053  -8.535  -4.768
  258   1HB   ALA  36           HB3      ALA  36  15.608 -11.088  -5.104
  259   2HB   ALA  36           HB2      ALA  36  15.320  -9.908  -6.382
  260   3HB   ALA  36           HB1      ALA  36  16.964 -10.432  -6.019
  261    H    THR  37           HN       THR  37  15.682  -7.279  -6.345
  262    HA   THR  37           HA       THR  37  13.528  -5.892  -4.933
  263    HB   THR  37           HB       THR  37  13.425  -4.783  -7.380
  264    HG1  THR  37           HG1      THR  37  14.885  -6.066  -8.396
  265   1HG2  THR  37          HG23      THR  37  15.143  -4.367  -4.996
  266   2HG2  THR  37          HG22      THR  37  15.600  -3.482  -6.452
  267   3HG2  THR  37          HG21      THR  37  13.991  -3.274  -5.761
  268    H    GLN  38           HN       GLN  38  13.654  -7.610  -8.086
  269    HA   GLN  38           HA       GLN  38  10.927  -7.516  -8.707
  270   1HB   GLN  38           HB2      GLN  38  13.210  -9.036  -9.566
  271   2HB   GLN  38           HB1      GLN  38  11.841 -10.133  -9.421
  272   1HG   GLN  38           HG2      GLN  38  11.198  -9.386 -11.452
  273   2HG   GLN  38           HG1      GLN  38  10.731  -7.892 -10.646
  274   1HE2  GLN  38          HE22      GLN  38  12.953  -6.688 -13.277
  275   2HE2  GLN  38          HE21      GLN  38  11.352  -7.208 -13.061
  276    H    GLU  39           HN       GLU  39  12.531  -9.647  -6.400
  277    HA   GLU  39           HA       GLU  39  10.283 -11.418  -5.975
  278   1HB   GLU  39           HB2      GLU  39  12.604 -10.789  -4.128
  279   2HB   GLU  39           HB1      GLU  39  11.545 -12.195  -4.029
  280   1HG   GLU  39           HG2      GLU  39  12.761 -11.816  -6.688
  281   2HG   GLU  39           HG1      GLU  39  13.932 -12.121  -5.405
  282    H    MET  40           HN       MET  40  11.442  -8.468  -4.365
  283    HA   MET  40           HA       MET  40   9.582  -8.472  -2.183
  284   1HB   MET  40           HB2      MET  40  11.734  -7.091  -2.618
  285   2HB   MET  40           HB1      MET  40  10.692  -6.012  -3.500
  286   1HG   MET  40           HG2      MET  40   9.486  -5.385  -1.596
  287   2HG   MET  40           HG1      MET  40   9.880  -6.876  -0.745
  288   1HE   MET  40           HE2      MET  40  10.312  -5.949   1.264
  289   2HE   MET  40           HE1      MET  40  11.786  -6.909   1.155
  290   3HE   MET  40           HE3      MET  40  11.845  -5.260   1.791
  291    H    LYS  41           HN       LYS  41   9.627  -6.734  -5.269
  292    HA   LYS  41           HA       LYS  41   7.088  -5.489  -5.164
  293   1HB   LYS  41           HB2      LYS  41   8.703  -4.989  -6.950
  294   2HB   LYS  41           HB1      LYS  41   8.542  -6.622  -7.586
  295   1HG   LYS  41           HG2      LYS  41   6.525  -6.177  -8.575
  296   2HG   LYS  41           HG1      LYS  41   6.013  -5.093  -7.283
  297   1HD   LYS  41           HD2      LYS  41   7.173  -3.263  -8.184
  298   2HD   LYS  41           HD1      LYS  41   8.242  -4.289  -9.141
  299   1HE   LYS  41           HE2      LYS  41   5.368  -4.575  -9.775
  300   2HE   LYS  41           HE1      LYS  41   6.055  -2.996 -10.154
  301   1HZ   LYS  41           HZ1      LYS  41   7.930  -4.314 -11.226
  302   2HZ   LYS  41           HZ3      LYS  41   6.885  -5.648 -11.155
  303   3HZ   LYS  41           HZ2      LYS  41   6.440  -4.271 -12.044
  304    H    ALA  42           HN       ALA  42   7.982  -8.789  -6.112
  305    HA   ALA  42           HA       ALA  42   5.428  -9.657  -7.069
  306   1HB   ALA  42           HB3      ALA  42   7.921 -10.962  -6.098
  307   2HB   ALA  42           HB2      ALA  42   6.455 -11.941  -6.050
  308   3HB   ALA  42           HB1      ALA  42   7.005 -11.252  -7.577
  309    H    ARG  43           HN       ARG  43   6.906  -9.614  -3.850
  310    HA   ARG  43           HA       ARG  43   4.859 -10.978  -2.420
  311   1HB   ARG  43           HB2      ARG  43   7.108  -9.175  -1.747
  312   2HB   ARG  43           HB1      ARG  43   5.801  -9.219  -0.566
  313   1HG   ARG  43           HG2      ARG  43   7.189 -10.978   0.136
  314   2HG   ARG  43           HG1      ARG  43   5.972 -11.809  -0.835
  315   1HD   ARG  43           HD2      ARG  43   7.476 -11.758  -2.782
  316   2HD   ARG  43           HD1      ARG  43   8.692 -10.908  -1.829
  317    HE   ARG  43           HE       ARG  43   7.799 -13.706  -1.251
  318   1HH1  ARG  43          HH11      ARG  43   9.597 -11.291   0.130
  319   2HH1  ARG  43          HH12      ARG  43  11.091 -12.167   0.191
  320   1HH2  ARG  43          HH21      ARG  43   9.940 -14.788  -1.766
  321   2HH2  ARG  43          HH22      ARG  43  11.285 -14.148  -0.882
  322    H    CYS  44           HN       CYS  44   5.273  -7.487  -3.134
  323    HA   CYS  44           HA       CYS  44   2.973  -6.582  -1.702
  324   1HB   CYS  44           HB2      CYS  44   4.555  -5.427  -3.968
  325   2HB   CYS  44           HB1      CYS  44   3.031  -4.683  -3.467
  326    H    CYS  45           HN       CYS  45   3.353  -7.826  -5.037
  327    HA   CYS  45           HA       CYS  45   0.668  -7.135  -5.882
  328   1HB   CYS  45           HB2      CYS  45   2.699  -9.110  -6.965
  329   2HB   CYS  45           HB1      CYS  45   1.125  -8.855  -7.706
  330    H    ARG  46           HN       ARG  46   2.095  -9.851  -4.185
  331    HA   ARG  46           HA       ARG  46  -0.193 -11.624  -4.476
  332   1HB   ARG  46           HB2      ARG  46   2.277 -12.160  -3.803
  333   2HB   ARG  46           HB1      ARG  46   1.750 -11.765  -2.182
  334   1HG   ARG  46           HG2      ARG  46   0.522 -13.651  -1.966
  335   2HG   ARG  46           HG1      ARG  46  -0.107 -13.542  -3.610
  336   1HD   ARG  46           HD2      ARG  46   2.311 -14.223  -4.320
  337   2HD   ARG  46           HD1      ARG  46   2.463 -14.781  -2.654
  338    HE   ARG  46           HE       ARG  46   1.030 -16.148  -4.722
  339   1HH1  ARG  46          HH11      ARG  46  -1.353 -15.449  -3.204
  340   2HH1  ARG  46          HH12      ARG  46  -1.416 -16.652  -1.961
  341   1HH2  ARG  46          HH21      ARG  46   1.894 -17.608  -2.345
  342   2HH2  ARG  46          HH22      ARG  46   0.420 -17.874  -1.475
  343    H    GLN  47           HN       GLN  47   0.847  -9.128  -2.227
  344    HA   GLN  47           HA       GLN  47  -1.195  -9.697  -0.220
  345   1HB   GLN  47           HB2      GLN  47   0.430  -7.173  -0.654
  346   2HB   GLN  47           HB1      GLN  47  -0.456  -7.605   0.808
  347   1HG   GLN  47           HG2      GLN  47   1.270  -9.798   0.124
  348   2HG   GLN  47           HG1      GLN  47   2.221  -8.315   0.096
  349   1HE2  GLN  47          HE22      GLN  47   2.517  -8.553   3.599
  350   2HE2  GLN  47          HE21      GLN  47   3.305  -8.424   2.101
  351    H    LEU  48           HN       LEU  48  -0.954  -7.693  -3.088
  352    HA   LEU  48           HA       LEU  48  -3.312  -6.087  -2.531
  353   1HB   LEU  48           HB2      LEU  48  -1.325  -5.515  -4.082
  354   2HB   LEU  48           HB1      LEU  48  -2.113  -6.563  -5.260
  355    HG   LEU  48           HG       LEU  48  -4.072  -4.774  -4.098
  356   1HD1  LEU  48          HD11      LEU  48  -1.645  -3.541  -4.036
  357   2HD1  LEU  48          HD13      LEU  48  -2.164  -3.146  -5.676
  358   3HD1  LEU  48          HD12      LEU  48  -3.167  -2.691  -4.299
  359   1HD2  LEU  48          HD22      LEU  48  -3.048  -5.610  -6.758
  360   2HD2  LEU  48          HD21      LEU  48  -4.709  -5.480  -6.182
  361   3HD2  LEU  48          HD23      LEU  48  -3.841  -4.036  -6.704
  362    H    GLU  49           HN       GLU  49  -2.597  -9.041  -4.350
  363    HA   GLU  49           HA       GLU  49  -5.253  -9.268  -5.506
  364   1HB   GLU  49           HB2      GLU  49  -2.794 -10.956  -5.368
  365   2HB   GLU  49           HB1      GLU  49  -4.320 -11.800  -5.633
  366   1HG   GLU  49           HG2      GLU  49  -4.641  -9.775  -7.383
  367   2HG   GLU  49           HG1      GLU  49  -2.881  -9.890  -7.403
  368    H    ALA  50           HN       ALA  50  -3.626 -10.471  -2.594
  369    HA   ALA  50           HA       ALA  50  -5.685 -12.271  -1.707
  370   1HB   ALA  50           HB1      ALA  50  -3.202 -11.655  -0.783
  371   2HB   ALA  50           HB3      ALA  50  -4.187 -10.733   0.353
  372   3HB   ALA  50           HB2      ALA  50  -4.415 -12.475   0.200
  373    H    ILE  51           HN       ILE  51  -4.955  -8.902  -0.878
  374    HA   ILE  51           HA       ILE  51  -7.353  -8.345   0.595
  375    HB   ILE  51           HB       ILE  51  -5.482  -6.495  -0.926
  376   1HG1  ILE  51          HG12      ILE  51  -4.420  -7.774   0.910
  377   2HG1  ILE  51          HG11      ILE  51  -4.522  -6.060   1.302
  378   1HG2  ILE  51          HG23      ILE  51  -7.796  -5.558  -0.467
  379   2HG2  ILE  51          HG22      ILE  51  -7.462  -5.764   1.251
  380   3HG2  ILE  51          HG21      ILE  51  -6.477  -4.665   0.288
  381   1HD1  ILE  51          HD13      ILE  51  -6.937  -7.218   2.222
  382   2HD1  ILE  51          HD12      ILE  51  -5.647  -8.312   2.720
  383   3HD1  ILE  51          HD11      ILE  51  -5.600  -6.616   3.201
  384    HA   PRO  52           HA       PRO  52  -9.731  -8.807  -3.239
  385   1HB   PRO  52           HB2      PRO  52 -12.208  -8.361  -2.088
  386   2HB   PRO  52           HB1      PRO  52 -11.389  -9.932  -2.149
  387   1HG   PRO  52           HG2      PRO  52 -11.595  -7.998   0.140
  388   2HG   PRO  52           HG1      PRO  52 -11.573  -9.772   0.167
  389   1HD   PRO  52           HD2      PRO  52  -9.373  -8.239   0.801
  390   2HD   PRO  52           HD1      PRO  52  -9.255  -9.875   0.118
  391    H    ALA  53           HN       ALA  53 -10.727  -7.371  -4.664
  392    HA   ALA  53           HA       ALA  53  -9.924  -4.770  -4.866
  393   1HB   ALA  53           HB1      ALA  53 -11.282  -6.190  -6.517
  394   2HB   ALA  53           HB3      ALA  53 -12.708  -5.527  -5.720
  395   3HB   ALA  53           HB2      ALA  53 -11.567  -4.450  -6.526
  396    H    TYR  54           HN       TYR  54 -12.645  -5.864  -2.914
  397    HA   TYR  54           HA       TYR  54 -13.622  -3.182  -2.322
  398   1HB   TYR  54           HB2      TYR  54 -14.342  -5.928  -1.629
  399   2HB   TYR  54           HB1      TYR  54 -14.399  -4.877  -0.214
  400    HD1  TYR  54           HD1      TYR  54 -15.319  -2.348  -1.026
  401    HD2  TYR  54           HD2      TYR  54 -16.430  -6.175  -2.632
  402    HE1  TYR  54           HE1      TYR  54 -17.463  -1.390  -1.823
  403    HE2  TYR  54           HE2      TYR  54 -18.573  -5.216  -3.430
  404    HH   TYR  54           HH       TYR  54 -19.503  -3.024  -4.014
  405    H    CYS  55           HN       CYS  55 -12.570  -1.779  -1.021
  406    HA   CYS  55           HA       CYS  55 -11.272  -0.929   0.746
  407   1HB   CYS  55           HB2      CYS  55 -10.941  -3.763   1.764
  408   2HB   CYS  55           HB1      CYS  55 -10.792  -2.258   2.667
  409    H    ARG  56           HN       ARG  56 -10.201  -2.766  -1.781
  410    HA   ARG  56           HA       ARG  56  -7.615  -3.684  -1.214
  411   1HB   ARG  56           HB2      ARG  56  -9.067  -2.841  -3.593
  412   2HB   ARG  56           HB1      ARG  56  -7.370  -2.383  -3.708
  413   1HG   ARG  56           HG2      ARG  56  -6.932  -4.831  -2.860
  414   2HG   ARG  56           HG1      ARG  56  -8.565  -5.125  -3.454
  415   1HD   ARG  56           HD2      ARG  56  -7.623  -3.807  -5.582
  416   2HD   ARG  56           HD1      ARG  56  -6.089  -4.426  -4.975
  417    HE   ARG  56           HE       ARG  56  -7.427  -6.718  -5.009
  418   1HH1  ARG  56          HH11      ARG  56  -9.268  -4.674  -6.728
  419   2HH1  ARG  56          HH12      ARG  56  -9.009  -5.388  -8.284
  420   1HH2  ARG  56          HH21      ARG  56  -6.387  -7.394  -7.226
  421   2HH2  ARG  56          HH22      ARG  56  -7.377  -6.922  -8.567
  422    H    CYS  57           HN       CYS  57  -7.684  -0.613  -3.052
  423    HA   CYS  57           HA       CYS  57  -5.311   0.502  -2.296
  424   1HB   CYS  57           HB2      CYS  57  -7.925   2.024  -2.471
  425   2HB   CYS  57           HB1      CYS  57  -6.319   2.743  -2.596
  426    H    GLU  58           HN       GLU  58  -8.220   0.789  -0.128
  427    HA   GLU  58           HA       GLU  58  -7.420   2.518   1.810
  428   1HB   GLU  58           HB2      GLU  58  -8.975   0.006   1.838
  429   2HB   GLU  58           HB1      GLU  58  -8.387   0.540   3.413
  430   1HG   GLU  58           HG2      GLU  58  -9.397   2.750   3.065
  431   2HG   GLU  58           HG1      GLU  58  -9.943   2.264   1.460
  432    H    ALA  59           HN       ALA  59  -6.275  -0.918   1.768
  433    HA   ALA  59           HA       ALA  59  -4.764  -1.078   4.058
  434   1HB   ALA  59           HB1      ALA  59  -4.958  -2.656   1.919
  435   2HB   ALA  59           HB3      ALA  59  -3.372  -1.962   1.581
  436   3HB   ALA  59           HB2      ALA  59  -3.648  -2.840   3.086
  437    H    VAL  60           HN       VAL  60  -3.540   0.355   1.037
  438    HA   VAL  60           HA       VAL  60  -0.986   1.159   2.003
  439    HB   VAL  60           HB       VAL  60  -2.690   2.619  -0.042
  440   1HG1  VAL  60          HG11      VAL  60   0.178   2.681   0.791
  441   2HG1  VAL  60          HG13      VAL  60  -0.179   2.857  -0.926
  442   3HG1  VAL  60          HG12      VAL  60  -0.857   3.996   0.235
  443   1HG2  VAL  60          HG23      VAL  60  -1.277   0.010  -0.094
  444   2HG2  VAL  60          HG22      VAL  60  -2.624   0.579  -1.079
  445   3HG2  VAL  60          HG21      VAL  60  -0.975   1.062  -1.476
  446    H    ARG  61           HN       ARG  61  -4.103   2.880   1.959
  447    HA   ARG  61           HA       ARG  61  -3.277   5.332   3.130
  448   1HB   ARG  61           HB2      ARG  61  -5.523   4.855   2.090
  449   2HB   ARG  61           HB1      ARG  61  -5.939   3.934   3.533
  450   1HG   ARG  61           HG2      ARG  61  -6.635   5.863   4.469
  451   2HG   ARG  61           HG1      ARG  61  -4.950   6.379   4.511
  452   1HD   ARG  61           HD2      ARG  61  -5.175   7.345   2.260
  453   2HD   ARG  61           HD1      ARG  61  -6.848   6.796   2.180
  454    HE   ARG  61           HE       ARG  61  -7.350   8.388   4.029
  455   1HH1  ARG  61          HH11      ARG  61  -5.400   9.297   1.527
  456   2HH1  ARG  61          HH12      ARG  61  -4.667  10.651   2.323
  457   1HH2  ARG  61          HH21      ARG  61  -5.950   9.850   5.442
  458   2HH2  ARG  61          HH22      ARG  61  -4.978  10.963   4.538
  459    H    ILE  62           HN       ILE  62  -3.885   2.191   4.551
  460    HA   ILE  62           HA       ILE  62  -3.995   3.140   7.307
  461    HB   ILE  62           HB       ILE  62  -3.928   0.438   5.953
  462   1HG1  ILE  62          HG12      ILE  62  -5.970   0.391   7.726
  463   2HG1  ILE  62          HG11      ILE  62  -5.852   2.128   7.454
  464   1HG2  ILE  62          HG23      ILE  62  -3.114   1.012   8.756
  465   2HG2  ILE  62          HG22      ILE  62  -4.269  -0.305   8.542
  466   3HG2  ILE  62          HG21      ILE  62  -2.707  -0.360   7.723
  467   1HD1  ILE  62          HD13      ILE  62  -5.723   0.428   5.026
  468   2HD1  ILE  62          HD12      ILE  62  -7.279   0.473   5.854
  469   3HD1  ILE  62          HD11      ILE  62  -6.542   1.969   5.281
  470    H    LEU  63           HN       LEU  63  -1.484   1.980   5.117
  471    HA   LEU  63           HA       LEU  63   0.443   1.668   7.276
  472   1HB   LEU  63           HB2      LEU  63   0.536   0.458   5.025
  473   2HB   LEU  63           HB1      LEU  63   1.100   1.982   4.339
  474    HG   LEU  63           HG       LEU  63   2.484   1.012   6.793
  475   1HD1  LEU  63          HD13      LEU  63   2.348  -0.496   4.250
  476   2HD1  LEU  63          HD12      LEU  63   3.978  -0.198   4.849
  477   3HD1  LEU  63          HD11      LEU  63   2.809  -1.043   5.861
  478   1HD2  LEU  63          HD23      LEU  63   2.861   3.089   5.063
  479   2HD2  LEU  63          HD22      LEU  63   4.151   2.380   6.032
  480   3HD2  LEU  63          HD21      LEU  63   3.934   1.883   4.354
  481    H    MET  64           HN       MET  64  -0.247   4.174   4.889
  482    HA   MET  64           HA       MET  64   1.945   5.873   5.771
  483   1HB   MET  64           HB2      MET  64   0.916   5.870   3.437
  484   2HB   MET  64           HB1      MET  64  -0.480   6.696   4.132
  485   1HG   MET  64           HG2      MET  64   1.947   8.001   5.005
  486   2HG   MET  64           HG1      MET  64   1.939   7.868   3.247
  487   1HE   MET  64           HE3      MET  64  -0.223   7.771   2.144
  488   2HE   MET  64           HE2      MET  64  -1.722   8.553   2.640
  489   3HE   MET  64           HE1      MET  64  -0.516   9.468   1.738
  490    H    ASP  65           HN       ASP  65  -1.631   6.090   6.021
  491    HA   ASP  65           HA       ASP  65  -1.403   8.285   7.946
  492   1HB   ASP  65           HB2      ASP  65  -3.810   6.942   6.668
  493   2HB   ASP  65           HB1      ASP  65  -3.987   7.960   8.094
  494    H    GLY  66           HN       GLY  66  -1.638   4.825   8.154
  495   1HA   GLY  66           HA2      GLY  66  -1.311   3.554  10.147
  496   2HA   GLY  66           HA1      GLY  66  -1.561   5.021  11.097
  497    H    VAL  67           HN       VAL  67  -2.834   2.326  11.311
  498    HA   VAL  67           HA       VAL  67  -5.701   3.121  10.964
  499    HB   VAL  67           HB       VAL  67  -5.130   1.242   9.533
  500   1HG1  VAL  67          HG12      VAL  67  -4.184  -0.058  12.102
  501   2HG1  VAL  67          HG11      VAL  67  -4.357  -0.903  10.563
  502   3HG1  VAL  67          HG13      VAL  67  -3.178   0.397  10.726
  503   1HG2  VAL  67          HG23      VAL  67  -7.346   1.296  10.750
  504   2HG2  VAL  67          HG22      VAL  67  -6.828  -0.309  10.235
  505   3HG2  VAL  67          HG21      VAL  67  -6.649   0.175  11.921
  506    H    VAL  68           HN       VAL  68  -7.176   2.241  12.619
  507    HA   VAL  68           HA       VAL  68  -5.817   2.004  15.263
  508    HB   VAL  68           HB       VAL  68  -8.457   3.295  14.520
  509   1HG1  VAL  68          HG11      VAL  68  -7.332   2.760  17.297
  510   2HG1  VAL  68          HG13      VAL  68  -8.761   3.730  16.943
  511   3HG1  VAL  68          HG12      VAL  68  -8.768   1.999  16.613
  512   1HG2  VAL  68          HG21      VAL  68  -5.754   4.157  15.452
  513   2HG2  VAL  68          HG23      VAL  68  -6.815   4.908  14.262
  514   3HG2  VAL  68          HG22      VAL  68  -7.149   5.096  15.984
  515    H    THR  69           HN       THR  69  -6.881   0.696  16.831
  516    HA   THR  69           HA       THR  69  -8.340  -1.611  15.667
  517    HB   THR  69           HB       THR  69  -7.243  -2.980  17.432
  518    HG1  THR  69           HG1      THR  69  -5.806  -2.089  18.759
  519   1HG2  THR  69          HG23      THR  69  -6.222  -2.222  15.046
  520   2HG2  THR  69          HG22      THR  69  -4.952  -1.626  16.116
  521   3HG2  THR  69          HG21      THR  69  -5.393  -3.333  16.135
  522    H    SER  70           HN       SER  70  -9.725  -2.733  17.136
  523    HA   SER  70           HA       SER  70 -11.612  -1.059  18.430
  524   1HB   SER  70           HB2      SER  70 -12.137  -3.261  17.429
  525   2HB   SER  70           HB1      SER  70 -11.197  -4.044  18.696
  526    HG   SER  70           HG       SER  70 -13.290  -4.050  19.389
  527    H    SER  71           HN       SER  71  -8.893  -2.857  19.609
  528    HA   SER  71           HA       SER  71  -9.497  -2.715  22.425
  529   1HB   SER  71           HB2      SER  71  -6.938  -3.090  22.596
  530   2HB   SER  71           HB1      SER  71  -7.907  -4.351  21.841
  531    HG   SER  71           HG       SER  71  -6.136  -2.501  20.709
  532    H    GLY  72           HN       GLY  72  -8.352  -0.371  20.168
  533   1HA   GLY  72           HA2      GLY  72  -8.286   2.005  20.763
  534   2HA   GLY  72           HA1      GLY  72  -7.835   1.525  22.401
  535    H    GLN  73           HN       GLN  73  -6.163  -0.380  20.105
  536    HA   GLN  73           HA       GLN  73  -3.678   1.206  20.579
  537   1HB   GLN  73           HB2      GLN  73  -4.007  -1.627  19.539
  538   2HB   GLN  73           HB1      GLN  73  -2.489  -0.850  19.987
  539   1HG   GLN  73           HG2      GLN  73  -2.908  -1.011  22.246
  540   2HG   GLN  73           HG1      GLN  73  -4.651  -0.869  22.039
  541   1HE2  GLN  73          HE22      GLN  73  -3.938  -4.392  23.031
  542   2HE2  GLN  73          HE21      GLN  73  -3.733  -2.865  23.743
  543    H    HIS  74           HN       HIS  74  -2.196   1.525  18.716
  544    HA   HIS  74           HA       HIS  74  -3.684   1.695  16.125
  545   1HB   HIS  74           HB2      HIS  74  -1.538   3.401  17.365
  546   2HB   HIS  74           HB1      HIS  74  -1.838   3.430  15.647
  547    HD1  HIS  74           HD1      HIS  74  -2.904   5.710  15.425
  548    HD2  HIS  74           HD2      HIS  74  -4.737   3.392  18.362
  549    HE1  HIS  74           HE1      HIS  74  -4.948   6.998  16.181
  550    H    GLU  75           HN       GLU  75  -2.423   1.229  14.217
  551    HA   GLU  75           HA       GLU  75   0.156  -0.160  14.617
  552   1HB   GLU  75           HB2      GLU  75  -2.056  -1.378  12.954
  553   2HB   GLU  75           HB1      GLU  75  -0.507  -2.103  13.384
  554   1HG   GLU  75           HG2      GLU  75  -1.485  -1.551  15.860
  555   2HG   GLU  75           HG1      GLU  75  -2.985  -1.864  14.989
  556    H    GLY  76           HN       GLY  76   0.821  -0.936  12.201
  557   1HA   GLY  76           HA2      GLY  76   1.682  -0.158  10.162
  558   2HA   GLY  76           HA1      GLY  76   0.121   0.644   9.953
  559    H    ARG  77           HN       ARG  77   0.920   2.604   9.175
  560    HA   ARG  77           HA       ARG  77   1.830   4.773   9.298
  561   1HB   ARG  77           HB2      ARG  77   0.344   4.486  11.455
  562   2HB   ARG  77           HB1      ARG  77   1.900   4.517  12.284
  563   1HG   ARG  77           HG2      ARG  77   1.605   6.610  10.229
  564   2HG   ARG  77           HG1      ARG  77   0.460   6.751  11.560
  565   1HD   ARG  77           HD2      ARG  77   3.083   6.113  12.597
  566   2HD   ARG  77           HD1      ARG  77   3.176   7.532  11.555
  567    HE   ARG  77           HE       ARG  77   1.147   7.400  13.741
  568   1HH1  ARG  77          HH21      ARG  77   1.003   9.880  12.356
  569   2HH1  ARG  77          HH22      ARG  77   2.159  10.903  13.143
  570   1HH2  ARG  77          HH11      ARG  77   3.851   8.276  14.649
  571   2HH2  ARG  77          HH12      ARG  77   3.774   9.994  14.441
  572    H    LEU  78           HN       LEU  78   3.674   2.272   9.535
  573    HA   LEU  78           HA       LEU  78   5.909   3.130  11.173
  574   1HB   LEU  78           HB2      LEU  78   5.338   0.847   9.341
  575   2HB   LEU  78           HB1      LEU  78   7.033   1.254   9.613
  576    HG   LEU  78           HG       LEU  78   6.472   1.267  12.113
  577   1HD1  LEU  78          HD11      LEU  78   3.888   0.475  10.919
  578   2HD1  LEU  78          HD13      LEU  78   4.418  -0.546  12.255
  579   3HD1  LEU  78          HD12      LEU  78   4.230   1.190  12.493
  580   1HD2  LEU  78          HD23      LEU  78   6.611  -1.099  10.291
  581   2HD2  LEU  78          HD22      LEU  78   7.743  -0.576  11.538
  582   3HD2  LEU  78          HD21      LEU  78   6.250  -1.398  11.992
  583    H    LEU  79           HN       LEU  79   4.847   3.924   7.972
  584    HA   LEU  79           HA       LEU  79   7.322   4.427   6.665
  585   1HB   LEU  79           HB2      LEU  79   4.604   4.782   6.094
  586   2HB   LEU  79           HB1      LEU  79   5.257   6.418   6.076
  587    HG   LEU  79           HG       LEU  79   7.039   5.664   4.516
  588   1HD1  LEU  79          HD12      LEU  79   5.806   3.050   5.141
  589   2HD1  LEU  79          HD11      LEU  79   6.161   3.307   3.433
  590   3HD1  LEU  79          HD13      LEU  79   7.451   3.425   4.630
  591   1HD2  LEU  79          HD21      LEU  79   4.634   6.466   3.849
  592   2HD2  LEU  79          HD23      LEU  79   5.675   5.765   2.610
  593   3HD2  LEU  79          HD22      LEU  79   4.405   4.790   3.350
  594    H    GLN  80           HN       GLN  80   8.775   5.345   8.156
  595    HA   GLN  80           HA       GLN  80   8.254   8.202   8.877
  596   1HB   GLN  80           HB2      GLN  80   9.694   6.167  10.607
  597   2HB   GLN  80           HB1      GLN  80   9.371   7.852  11.017
  598   1HG   GLN  80           HG2      GLN  80   7.070   6.068  10.292
  599   2HG   GLN  80           HG1      GLN  80   7.776   5.942  11.903
  600   1HE2  GLN  80          HE22      GLN  80   5.107   8.754  11.470
  601   2HE2  GLN  80          HE21      GLN  80   5.150   7.240  10.705
  602    H    ASP  81           HN       ASP  81  10.516   9.035   9.770
  603    HA   ASP  81           HA       ASP  81  12.237   9.172   7.488
  604   1HB   ASP  81           HB2      ASP  81  12.688  10.062  10.358
  605   2HB   ASP  81           HB1      ASP  81  13.736  10.463   8.992
  606    H    LEU  82           HN       LEU  82  13.213   7.360   6.895
  607    HA   LEU  82           HA       LEU  82  14.614   5.570   8.778
  608   1HB   LEU  82           HB2      LEU  82  13.975   5.544   5.830
  609   2HB   LEU  82           HB1      LEU  82  15.212   4.470   6.450
  610    HG   LEU  82           HG       LEU  82  12.446   4.608   7.663
  611   1HD1  LEU  82          HD12      LEU  82  12.763   3.882   5.092
  612   2HD1  LEU  82          HD11      LEU  82  13.214   2.359   5.860
  613   3HD1  LEU  82          HD13      LEU  82  11.626   3.064   6.164
  614   1HD2  LEU  82          HD23      LEU  82  14.660   2.531   7.701
  615   2HD2  LEU  82          HD22      LEU  82  14.203   3.581   9.042
  616   3HD2  LEU  82          HD21      LEU  82  13.085   2.343   8.471
  617    HA   PRO  83           HA       PRO  83  18.555   7.452   8.131
  618   1HB   PRO  83           HB2      PRO  83  20.277   5.370   7.570
  619   2HB   PRO  83           HB1      PRO  83  19.674   5.755   9.192
  620   1HG   PRO  83           HG2      PRO  83  18.836   3.562   7.339
  621   2HG   PRO  83           HG1      PRO  83  18.837   3.595   9.111
  622   1HD   PRO  83           HD2      PRO  83  16.571   3.918   7.527
  623   2HD   PRO  83           HD1      PRO  83  16.698   4.450   9.211
  624    H    GLY  84           HN       GLY  84  18.280   8.691   6.310
  625   1HA   GLY  84           HA2      GLY  84  19.254   9.342   4.205
  626   2HA   GLY  84           HA1      GLY  84  19.433   7.641   3.777
  627    H    CYS  85           HN       CYS  85  16.325   7.975   5.085
  628    HA   CYS  85           HA       CYS  85  15.124   8.700   2.452
  629   1HB   CYS  85           HB2      CYS  85  13.962   6.467   4.098
  630   2HB   CYS  85           HB1      CYS  85  13.753   6.796   2.384
  631    HA   PRO  86           HA       PRO  86  13.047  10.970   5.898
  632   1HB   PRO  86           HB2      PRO  86  12.380  13.184   4.380
  633   2HB   PRO  86           HB1      PRO  86  13.890  13.014   5.264
  634   1HG   PRO  86           HG2      PRO  86  13.385  12.751   2.343
  635   2HG   PRO  86           HG1      PRO  86  14.867  13.244   3.180
  636   1HD   PRO  86           HD2      PRO  86  14.429  10.728   2.049
  637   2HD   PRO  86           HD1      PRO  86  15.665  11.088   3.270
  638    H    ARG  87           HN       ARG  87  10.752  11.653   6.149
  639    HA   ARG  87           HA       ARG  87   8.785  10.010   5.076
  640   1HB   ARG  87           HB2      ARG  87   8.485  12.927   5.841
  641   2HB   ARG  87           HB1      ARG  87   7.193  11.742   5.763
  642   1HG   ARG  87           HG2      ARG  87   9.193  10.608   7.409
  643   2HG   ARG  87           HG1      ARG  87   9.036  12.289   7.914
  644   1HD   ARG  87           HD2      ARG  87   7.473  10.701   9.112
  645   2HD   ARG  87           HD1      ARG  87   6.675  12.033   8.297
  646    HE   ARG  87           HE       ARG  87   6.897   9.441   6.862
  647   1HH1  ARG  87          HH11      ARG  87   4.946  10.727   9.239
  648   2HH1  ARG  87          HH12      ARG  87   3.471  10.651   8.332
  649   1HH2  ARG  87          HH21      ARG  87   5.029   9.822   5.351
  650   2HH2  ARG  87          HH22      ARG  87   3.519  10.141   6.136
  651    H    GLN  88           HN       GLN  88  10.247  12.896   3.733
  652    HA   GLN  88           HA       GLN  88   8.304  13.619   1.787
  653   1HB   GLN  88           HB2      GLN  88  11.244  14.048   2.081
  654   2HB   GLN  88           HB1      GLN  88  10.482  14.463   0.544
  655   1HG   GLN  88           HG2      GLN  88  10.424  16.429   1.950
  656   2HG   GLN  88           HG1      GLN  88   8.780  15.798   1.837
  657   1HE2  GLN  88          HE22      GLN  88  10.805  15.135   5.366
  658   2HE2  GLN  88          HE21      GLN  88  11.675  15.147   3.909
  659    H    VAL  89           HN       VAL  89  11.129  11.408   1.366
  660    HA   VAL  89           HA       VAL  89  10.599  10.875  -1.401
  661    HB   VAL  89           HB       VAL  89  12.098   9.248   0.662
  662   1HG1  VAL  89          HG11      VAL  89  11.763   9.092  -2.300
  663   2HG1  VAL  89          HG13      VAL  89  13.376   8.793  -1.653
  664   3HG1  VAL  89          HG12      VAL  89  12.019   7.794  -1.134
  665   1HG2  VAL  89          HG22      VAL  89  12.877  11.521  -1.145
  666   2HG2  VAL  89          HG21      VAL  89  12.981  11.449   0.614
  667   3HG2  VAL  89          HG23      VAL  89  14.054  10.457  -0.374
  668    H    GLN  90           HN       GLN  90   9.705   9.273   1.610
  669    HA   GLN  90           HA       GLN  90   8.460   6.973   0.400
  670   1HB   GLN  90           HB2      GLN  90   8.507   8.217   3.102
  671   2HB   GLN  90           HB1      GLN  90   7.118   7.189   2.742
  672   1HG   GLN  90           HG2      GLN  90   8.838   5.782   3.694
  673   2HG   GLN  90           HG1      GLN  90   8.738   5.412   1.972
  674   1HE2  GLN  90          HE22      GLN  90  12.041   7.402   3.398
  675   2HE2  GLN  90          HE21      GLN  90  10.611   7.403   4.312
  676    H    ARG  91           HN       ARG  91   7.428  10.264   0.965
  677    HA   ARG  91           HA       ARG  91   4.583   9.722   0.558
  678   1HB   ARG  91           HB2      ARG  91   5.886  11.780   1.738
  679   2HB   ARG  91           HB1      ARG  91   5.611  12.476   0.141
  680   1HG   ARG  91           HG2      ARG  91   3.636  13.061   1.228
  681   2HG   ARG  91           HG1      ARG  91   3.173  11.535   0.473
  682   1HD   ARG  91           HD2      ARG  91   3.669  10.335   2.563
  683   2HD   ARG  91           HD1      ARG  91   4.166  11.848   3.323
  684    HE   ARG  91           HE       ARG  91   1.376  11.102   2.615
  685   1HH1  ARG  91          HH11      ARG  91   3.354  13.827   3.134
  686   2HH1  ARG  91          HH12      ARG  91   2.301  14.560   4.297
  687   1HH2  ARG  91          HH21      ARG  91   0.144  11.853   4.460
  688   2HH2  ARG  91          HH22      ARG  91   0.489  13.446   5.044
  689    H    ALA  92           HN       ALA  92   7.307  10.791  -1.440
  690    HA   ALA  92           HA       ALA  92   5.747  11.516  -3.759
  691   1HB   ALA  92           HB2      ALA  92   8.648  10.808  -3.319
  692   2HB   ALA  92           HB1      ALA  92   8.016  11.134  -4.933
  693   3HB   ALA  92           HB3      ALA  92   7.951  12.384  -3.690
  694    H    PHE  93           HN       PHE  93   7.518   8.581  -2.829
  695    HA   PHE  93           HA       PHE  93   6.677   7.069  -5.177
  696   1HB   PHE  93           HB2      PHE  93   8.810   6.537  -4.131
  697   2HB   PHE  93           HB1      PHE  93   8.016   6.236  -2.588
  698    HD1  PHE  93           HD2      PHE  93   6.530   4.254  -2.294
  699    HD2  PHE  93           HD1      PHE  93   8.762   4.905  -5.904
  700    HE1  PHE  93           HE2      PHE  93   6.130   1.901  -2.964
  701    HE2  PHE  93           HE1      PHE  93   8.359   2.553  -6.577
  702    HZ   PHE  93           HZ       PHE  93   7.043   1.049  -5.107
  703    H    ALA  94           HN       ALA  94   5.447   7.603  -1.951
  704    HA   ALA  94           HA       ALA  94   3.994   5.406  -1.267
  705   1HB   ALA  94           HB2      ALA  94   3.646   8.300  -0.881
  706   2HB   ALA  94           HB1      ALA  94   2.149   7.382  -0.722
  707   3HB   ALA  94           HB3      ALA  94   3.537   6.988   0.291
  708    HA   PRO  95           HA       PRO  95   0.326   6.432  -4.162
  709   1HB   PRO  95           HB2      PRO  95   0.738   8.292  -6.157
  710   2HB   PRO  95           HB1      PRO  95   0.026   8.670  -4.579
  711   1HG   PRO  95           HG2      PRO  95   2.768   9.258  -5.591
  712   2HG   PRO  95           HG1      PRO  95   1.813  10.114  -4.368
  713   1HD   PRO  95           HD2      PRO  95   3.917   8.337  -3.839
  714   2HD   PRO  95           HD1      PRO  95   2.729   8.879  -2.650
  715    H    LYS  96           HN       LYS  96   0.120   6.294  -6.861
  716    HA   LYS  96           HA       LYS  96   0.711   5.048  -8.763
  717   1HB   LYS  96           HB2      LYS  96   3.253   6.024  -7.699
  718   2HB   LYS  96           HB1      LYS  96   3.442   4.464  -8.491
  719   1HG   LYS  96           HG2      LYS  96   3.745   6.282 -10.110
  720   2HG   LYS  96           HG1      LYS  96   2.294   5.359 -10.499
  721   1HD   LYS  96           HD2      LYS  96   0.866   7.064  -9.844
  722   2HD   LYS  96           HD1      LYS  96   2.029   7.739  -8.701
  723   1HE   LYS  96           HE2      LYS  96   2.812   7.771 -11.572
  724   2HE   LYS  96           HE1      LYS  96   1.528   8.880 -11.089
  725   1HZ   LYS  96           HZ3      LYS  96   4.131   8.660  -9.683
  726   2HZ   LYS  96           HZ2      LYS  96   3.809   9.803 -10.898
  727   3HZ   LYS  96           HZ1      LYS  96   2.932   9.835  -9.444
  728    H    LEU  97           HN       LEU  97   0.271   3.861  -5.899
  729    HA   LEU  97           HA       LEU  97   1.739   1.358  -5.885
  730   1HB   LEU  97           HB2      LEU  97  -0.057   0.666  -4.166
  731   2HB   LEU  97           HB1      LEU  97   1.045   1.969  -3.748
  732    HG   LEU  97           HG       LEU  97  -1.279   3.041  -5.115
  733   1HD1  LEU  97          HD12      LEU  97  -1.811   0.852  -3.270
  734   2HD1  LEU  97          HD11      LEU  97  -2.519   2.362  -2.695
  735   3HD1  LEU  97          HD13      LEU  97  -2.931   1.748  -4.295
  736   1HD2  LEU  97          HD21      LEU  97   0.358   3.508  -2.721
  737   2HD2  LEU  97          HD23      LEU  97  -0.417   4.664  -3.799
  738   3HD2  LEU  97          HD22      LEU  97  -1.339   3.924  -2.495
  739    H    VAL  98           HN       VAL  98  -1.862   1.770  -6.376
  740    HA   VAL  98           HA       VAL  98  -1.960  -0.891  -7.619
  741    HB   VAL  98           HB       VAL  98  -4.370  -0.482  -7.707
  742   1HG1  VAL  98          HG11      VAL  98  -2.794  -0.014  -5.223
  743   2HG1  VAL  98          HG13      VAL  98  -4.552   0.088  -5.150
  744   3HG1  VAL  98          HG12      VAL  98  -3.777  -1.403  -5.684
  745   1HG2  VAL  98          HG22      VAL  98  -3.784   2.167  -7.917
  746   2HG2  VAL  98          HG21      VAL  98  -5.351   1.572  -7.376
  747   3HG2  VAL  98          HG23      VAL  98  -4.142   2.070  -6.195
  748    H    THR  99           HN       THR  99  -0.551   1.402  -8.955
  749    HA   THR  99           HA       THR  99  -2.161   1.807 -11.389
  750    HB   THR  99           HB       THR  99  -0.482   3.485 -11.988
  751    HG1  THR  99           HG1      THR  99   1.404   3.641 -10.927
  752   1HG2  THR  99          HG23      THR  99  -2.222   3.894 -10.126
  753   2HG2  THR  99          HG22      THR  99  -0.843   3.806  -9.030
  754   3HG2  THR  99          HG21      THR  99  -0.891   5.037 -10.292
  755    H    GLU 100           HN       GLU 100  -0.693   1.606 -13.535
  756    HA   GLU 100           HA       GLU 100   0.164  -1.112 -13.716
  757   1HB   GLU 100           HB2      GLU 100  -0.554   0.528 -15.579
  758   2HB   GLU 100           HB1      GLU 100   1.127   1.057 -15.574
  759   1HG   GLU 100           HG2      GLU 100   0.825  -1.872 -15.597
  760   2HG   GLU 100           HG1      GLU 100   0.140  -1.084 -17.017
  761    H    VAL 101           HN       VAL 101   1.885   1.294 -11.997
  762    HA   VAL 101           HA       VAL 101   4.530   0.307 -12.893
  763    HB   VAL 101           HB       VAL 101   4.002   2.428 -10.803
  764   1HG1  VAL 101          HG11      VAL 101   6.336   1.199 -11.677
  765   2HG1  VAL 101          HG13      VAL 101   6.294   2.689 -12.617
  766   3HG1  VAL 101          HG12      VAL 101   6.241   2.754 -10.857
  767   1HG2  VAL 101          HG23      VAL 101   3.707   2.548 -13.763
  768   2HG2  VAL 101          HG22      VAL 101   2.942   3.532 -12.515
  769   3HG2  VAL 101          HG21      VAL 101   4.598   3.872 -13.015
  770    H    GLU 102           HN       GLU 102   2.247  -0.696 -10.612
  771    HA   GLU 102           HA       GLU 102   4.435  -1.897  -8.983
  772   1HB   GLU 102           HB2      GLU 102   2.455   0.043  -8.065
  773   2HB   GLU 102           HB1      GLU 102   2.435  -1.435  -7.102
  774   1HG   GLU 102           HG2      GLU 102   5.161  -0.884  -7.461
  775   2HG   GLU 102           HG1      GLU 102   4.432   0.695  -7.178
  776    H    CYS 103           HN       CYS 103   0.974  -2.129  -8.195
  777    HA   CYS 103           HA       CYS 103   0.907  -4.926  -9.265
  778   1HB   CYS 103           HB2      CYS 103   0.328  -4.079  -6.405
  779   2HB   CYS 103           HB1      CYS 103  -0.036  -5.674  -7.068
  780    H    ASN 104           HN       ASN 104  -0.423  -2.599 -10.335
  781    HA   ASN 104           HA       ASN 104  -2.896  -1.791  -9.586
  782   1HB   ASN 104           HB2      ASN 104  -1.811  -1.195 -11.694
  783   2HB   ASN 104           HB1      ASN 104  -2.162  -2.782 -12.343
  784   1HD2  ASN 104          HD22      ASN 104  -4.886  -0.827 -13.726
  785   2HD2  ASN 104          HD21      ASN 104  -3.259  -1.218 -14.019
  786    H    LEU 105           HN       LEU 105  -2.773  -4.641 -11.777
  787    HA   LEU 105           HA       LEU 105  -4.362  -6.375 -12.044
  788   1HB   LEU 105           HB2      LEU 105  -4.114  -6.129  -9.037
  789   2HB   LEU 105           HB1      LEU 105  -5.017  -7.429  -9.815
  790    HG   LEU 105           HG       LEU 105  -2.320  -7.010 -10.935
  791   1HD1  LEU 105          HD13      LEU 105  -2.749  -7.488  -8.021
  792   2HD1  LEU 105          HD12      LEU 105  -1.508  -8.449  -8.825
  793   3HD1  LEU 105          HD11      LEU 105  -1.410  -6.688  -8.844
  794   1HD2  LEU 105          HD22      LEU 105  -4.171  -9.232 -10.192
  795   2HD2  LEU 105          HD21      LEU 105  -3.251  -8.984 -11.677
  796   3HD2  LEU 105          HD23      LEU 105  -2.447  -9.602 -10.236
  797    H    ALA 106           HN       ALA 106  -5.460  -3.538 -11.868
  798    HA   ALA 106           HA       ALA 106  -7.536  -2.480 -11.902
  799   1HB   ALA 106           HB3      ALA 106  -8.150  -5.353 -12.256
  800   2HB   ALA 106           HB2      ALA 106  -9.478  -4.408 -11.581
  801   3HB   ALA 106           HB1      ALA 106  -8.771  -3.955 -13.132
  802    H    THR 107           HN       THR 107  -9.197  -1.811 -10.374
  803    HA   THR 107           HA       THR 107  -8.755  -2.881  -7.607
  804    HB   THR 107           HB       THR 107  -8.614  -0.690  -6.732
  805    HG1  THR 107           HG1      THR 107 -10.146  -0.014  -8.998
  806   1HG2  THR 107          HG21      THR 107  -6.973  -1.155  -8.891
  807   2HG2  THR 107          HG23      THR 107  -7.729   0.375  -9.336
  808   3HG2  THR 107          HG22      THR 107  -6.842   0.239  -7.818
  809    H    ILE 108           HN       ILE 108 -10.827  -1.036  -6.604
  810    HA   ILE 108           HA       ILE 108 -13.199  -2.554  -6.741
  811    HB   ILE 108           HB       ILE 108 -12.659  -0.934  -4.969
  812   1HG1  ILE 108          HG12      ILE 108 -14.982   0.550  -5.705
  813   2HG1  ILE 108          HG11      ILE 108 -15.192  -1.074  -6.358
  814   1HG2  ILE 108          HG21      ILE 108 -11.629   0.698  -6.731
  815   2HG2  ILE 108          HG23      ILE 108 -13.268   1.321  -6.888
  816   3HG2  ILE 108          HG22      ILE 108 -12.442   1.391  -5.334
  817   1HD1  ILE 108          HD11      ILE 108 -14.164  -0.821  -3.563
  818   2HD1  ILE 108          HD13      ILE 108 -15.874  -0.492  -3.847
  819   3HD1  ILE 108          HD12      ILE 108 -15.196  -2.064  -4.272
  820    H    HIS 109           HN       HIS 109 -12.199   0.293  -8.601
  821    HA   HIS 109           HA       HIS 109 -14.729   0.351 -10.138
  822   1HB   HIS 109           HB2      HIS 109 -13.575   2.402 -11.212
  823   2HB   HIS 109           HB1      HIS 109 -14.196   2.510  -9.565
  824    HD1  HIS 109           HD1      HIS 109 -10.959   1.695 -11.350
  825    HD2  HIS 109           HD2      HIS 109 -12.254   3.200  -7.689
  826    HE1  HIS 109           HE1      HIS 109  -8.927   2.172  -9.959
  827    H    GLY 110           HN       GLY 110 -12.604  -1.821 -10.461
  828   1HA   GLY 110           HA2      GLY 110 -11.555  -3.008 -12.187
  829   2HA   GLY 110           HA1      GLY 110 -12.974  -2.515 -13.096
  830    H    GLY 111           HN       GLY 111  -9.860  -1.019 -12.039
  831   1HA   GLY 111           HA2      GLY 111  -8.818  -0.597 -14.609
  832   2HA   GLY 111           HA1      GLY 111  -9.776   0.824 -14.238
  833    HA   PRO 112           HA       PRO 112  -5.545   1.117 -12.216
  834   1HB   PRO 112           HB2      PRO 112  -4.292   2.748 -14.065
  835   2HB   PRO 112           HB1      PRO 112  -4.213   0.986 -14.119
  836   1HG   PRO 112           HG2      PRO 112  -5.710   2.845 -15.869
  837   2HG   PRO 112           HG1      PRO 112  -5.211   1.175 -16.182
  838   1HD   PRO 112           HD2      PRO 112  -7.822   2.079 -15.435
  839   2HD   PRO 112           HD1      PRO 112  -7.279   0.397 -15.608
  840    H    PHE 113           HN       PHE 113  -7.243   2.483 -10.896
  841    HA   PHE 113           HA       PHE 113  -6.292   5.172 -10.542
  842   1HB   PHE 113           HB2      PHE 113  -8.075   6.546 -11.527
  843   2HB   PHE 113           HB1      PHE 113  -7.270   5.617 -12.770
  844    HD1  PHE 113           HD2      PHE 113  -8.456   3.292 -13.436
  845    HD2  PHE 113           HD1      PHE 113 -10.426   6.490 -11.338
  846    HE1  PHE 113           HE2      PHE 113 -10.655   2.457 -14.179
  847    HE2  PHE 113           HE1      PHE 113 -12.609   5.630 -12.091
  848    HZ   PHE 113           HZ       PHE 113 -12.719   3.607 -13.512
  849    H    CYS 114           HN       CYS 114  -6.650   4.544  -8.191
  850    HA   CYS 114           HA       CYS 114  -9.556   4.734  -7.476
  851   1HB   CYS 114           HB2      CYS 114  -9.208   3.333  -5.549
  852   2HB   CYS 114           HB1      CYS 114  -8.576   2.488  -6.956
  853    H    LEU 115           HN       LEU 115  -9.882   5.518  -5.162
  854    HA   LEU 115           HA       LEU 115  -9.584   7.155  -3.496
  855   1HB   LEU 115           HB2      LEU 115  -7.058   6.338  -3.777
  856   2HB   LEU 115           HB1      LEU 115  -6.875   7.931  -4.507
  857    HG   LEU 115           HG       LEU 115  -8.328   8.572  -2.296
  858   1HD1  LEU 115          HD13      LEU 115  -6.926   5.993  -1.780
  859   2HD1  LEU 115          HD12      LEU 115  -6.831   7.221  -0.518
  860   3HD1  LEU 115          HD11      LEU 115  -8.403   6.634  -1.060
  861   1HD2  LEU 115          HD23      LEU 115  -5.479   8.605  -3.068
  862   2HD2  LEU 115          HD22      LEU 115  -6.483   9.900  -2.417
  863   3HD2  LEU 115          HD21      LEU 115  -5.749   8.723  -1.329
  864    H    SER 116           HN       SER 116 -10.919   8.793  -4.012
  865    HA   SER 116           HA       SER 116 -11.527  10.960  -4.714
  866   1HB   SER 116           HB2      SER 116  -8.888  11.253  -4.954
  867   2HB   SER 116           HB1      SER 116  -9.271  11.181  -6.670
  868    HG   SER 116           HG       SER 116  -9.349  13.305  -5.445
  869    H    LEU 117           HN       LEU 117  -9.914   9.537  -7.582
  870    HA   LEU 117           HA       LEU 117 -10.764   8.826  -9.627
  871   1HB   LEU 117           HB2      LEU 117 -12.853   8.231  -7.702
  872   2HB   LEU 117           HB1      LEU 117 -13.585   8.705  -9.229
  873    HG   LEU 117           HG       LEU 117 -12.034   7.086 -10.383
  874   1HD1  LEU 117          HD13      LEU 117 -11.268   6.652  -7.522
  875   2HD1  LEU 117          HD12      LEU 117 -11.228   5.284  -8.630
  876   3HD1  LEU 117          HD11      LEU 117 -10.246   6.713  -8.959
  877   1HD2  LEU 117          HD21      LEU 117 -14.445   6.581  -9.373
  878   2HD2  LEU 117          HD23      LEU 117 -13.468   5.295 -10.080
  879   3HD2  LEU 117          HD22      LEU 117 -13.521   5.499  -8.330
  880    H    LEU 118           HN       LEU 118 -13.363   9.634 -10.829
  881    HA   LEU 118           HA       LEU 118 -12.700  12.021 -12.043
  882   1HB   LEU 118           HB2      LEU 118 -15.357  10.694 -11.569
  883   2HB   LEU 118           HB1      LEU 118 -15.283  12.287 -12.312
  884    HG   LEU 118           HG       LEU 118 -13.309  10.932 -13.680
  885   1HD1  LEU 118          HD12      LEU 118 -15.524   9.006 -12.942
  886   2HD1  LEU 118          HD11      LEU 118 -14.505   8.783 -14.364
  887   3HD1  LEU 118          HD13      LEU 118 -13.786   8.779 -12.754
  888   1HD2  LEU 118          HD21      LEU 118 -16.201  11.532 -14.197
  889   2HD2  LEU 118          HD23      LEU 118 -14.765  12.184 -14.985
  890   3HD2  LEU 118          HD22      LEU 118 -15.319  10.556 -15.372
  891    H    GLY 119           HN       GLY 119 -13.884  11.801  -8.751
  892   1HA   GLY 119           HA2      GLY 119 -14.243  13.463  -7.152
  893   2HA   GLY 119           HA1      GLY 119 -13.367  14.552  -8.227
  894    H    ALA 120           HN       ALA 120 -16.322  14.005  -6.806
  895    HA   ALA 120           HA       ALA 120 -17.825  15.452  -8.950
  896   1HB   ALA 120           HB3      ALA 120 -18.612  13.155  -8.023
  897   2HB   ALA 120           HB2      ALA 120 -19.089  14.065  -6.589
  898   3HB   ALA 120           HB1      ALA 120 -19.805  14.447  -8.156
  899    H    GLY 121           HN       GLY 121 -16.452  17.275  -7.967
  900   1HA   GLY 121           HA2      GLY 121 -16.983  18.367  -5.388
  901   2HA   GLY 121           HA1      GLY 121 -16.382  19.289  -6.767
  902    H    GLU 122           HN       GLU 122 -18.872  18.340  -8.312
  903    HA   GLU 122           HA       GLU 122 -20.817  20.248  -7.065
  904   1HB   GLU 122           HB2      GLU 122 -20.392  19.707 -10.020
  905   2HB   GLU 122           HB1      GLU 122 -21.494  20.895  -9.321
  906   1HG   GLU 122           HG2      GLU 122 -19.484  21.965  -8.214
  907   2HG   GLU 122           HG1      GLU 122 -18.469  20.893  -9.180
   
  No H/Q in entry =         907
  Start of MODEL          14
 Raw file had  930 H/Q atoms
  Start of MODEL   14
    1   1H    SER   1           HT2      SER   1 -22.968 -16.742   1.294
    2   2H    SER   1           HT1      SER   1 -23.419 -17.121  -0.300
    3   3H    SER   1           HT3      SER   1 -21.877 -16.489   0.017
    4    HA   SER   1           HA       SER   1 -22.667 -14.474  -0.383
    5   1HB   SER   1           HB2      SER   1 -25.057 -14.131  -0.874
    6   2HB   SER   1           HB1      SER   1 -24.457 -15.572  -1.690
    7    HG   SER   1           HG       SER   1 -25.834 -16.691  -0.577
    8    H    VAL   2           HN       VAL   2 -22.910 -12.736   0.985
    9    HA   VAL   2           HA       VAL   2 -24.714 -12.462   3.114
   10    HB   VAL   2           HB       VAL   2 -23.873 -14.217   4.387
   11   1HG1  VAL   2          HG11      VAL   2 -21.515 -13.783   2.743
   12   2HG1  VAL   2          HG13      VAL   2 -21.080 -14.088   4.424
   13   3HG1  VAL   2          HG12      VAL   2 -22.065 -15.255   3.543
   14   1HG2  VAL   2          HG22      VAL   2 -23.318 -11.691   5.311
   15   2HG2  VAL   2          HG21      VAL   2 -23.132 -13.163   6.264
   16   3HG2  VAL   2          HG23      VAL   2 -21.739 -12.466   5.436
   17    H    GLY   3           HN       GLY   3 -21.236 -11.975   3.628
   18   1HA   GLY   3           HA2      GLY   3 -21.413  -9.189   2.684
   19   2HA   GLY   3           HA1      GLY   3 -21.155  -9.394   4.418
   20    H    THR   4           HN       THR   4 -19.289  -8.225   2.475
   21    HA   THR   4           HA       THR   4 -16.883  -9.519   3.345
   22    HB   THR   4           HB       THR   4 -17.482 -11.254   1.745
   23    HG1  THR   4           HG1      THR   4 -15.718 -10.566   0.092
   24   1HG2  THR   4          HG21      THR   4 -18.083  -8.879   0.037
   25   2HG2  THR   4          HG23      THR   4 -17.483 -10.335  -0.759
   26   3HG2  THR   4          HG22      THR   4 -18.963 -10.398   0.198
   27    H    SER   5           HN       SER   5 -17.215  -6.999   3.672
   28    HA   SER   5           HA       SER   5 -16.097  -5.563   1.302
   29   1HB   SER   5           HB2      SER   5 -18.285  -4.885   2.745
   30   2HB   SER   5           HB1      SER   5 -17.048  -4.037   3.669
   31    HG   SER   5           HG       SER   5 -17.614  -3.833   0.894
   32    H    CYS   6           HN       CYS   6 -15.210  -3.334   3.007
   33    HA   CYS   6           HA       CYS   6 -12.590  -4.414   3.709
   34   1HB   CYS   6           HB2      CYS   6 -13.739  -1.638   4.134
   35   2HB   CYS   6           HB1      CYS   6 -12.042  -2.085   4.292
   36    H    ILE   7           HN       ILE   7 -12.510  -5.615   5.560
   37    HA   ILE   7           HA       ILE   7 -13.708  -4.399   8.014
   38    HB   ILE   7           HB       ILE   7 -13.420  -7.227   8.364
   39   1HG1  ILE   7          HG12      ILE   7 -15.307  -6.617   6.087
   40   2HG1  ILE   7          HG11      ILE   7 -13.636  -7.082   5.769
   41   1HG2  ILE   7          HG21      ILE   7 -15.345  -5.101   8.727
   42   2HG2  ILE   7          HG23      ILE   7 -16.146  -6.549   8.116
   43   3HG2  ILE   7          HG22      ILE   7 -15.198  -6.625   9.601
   44   1HD1  ILE   7          HD12      ILE   7 -14.795  -8.838   7.753
   45   2HD1  ILE   7          HD11      ILE   7 -15.804  -8.804   6.306
   46   3HD1  ILE   7          HD13      ILE   7 -14.101  -9.245   6.184
   47    HA   PRO   8           HA       PRO   8  -9.701  -4.806   9.727
   48   1HB   PRO   8           HB2      PRO   8 -10.341  -5.074  12.392
   49   2HB   PRO   8           HB1      PRO   8 -10.450  -3.545  11.502
   50   1HG   PRO   8           HG2      PRO   8 -12.643  -5.355  12.398
   51   2HG   PRO   8           HG1      PRO   8 -12.684  -3.612  12.082
   52   1HD   PRO   8           HD2      PRO   8 -13.641  -5.644  10.350
   53   2HD   PRO   8           HD1      PRO   8 -13.394  -3.935   9.929
   54    H    GLY   9           HN       GLY   9  -8.197  -6.492  10.322
   55   1HA   GLY   9           HA2      GLY   9  -7.462  -8.682  10.670
   56   2HA   GLY   9           HA1      GLY   9  -8.829  -8.840  11.768
   57    H    MET  10           HN       MET  10  -9.715  -7.969   8.580
   58    HA   MET  10           HA       MET  10 -10.162 -10.807   7.799
   59   1HB   MET  10           HB2      MET  10 -12.276  -8.638   7.910
   60   2HB   MET  10           HB1      MET  10 -12.495 -10.194   7.108
   61   1HG   MET  10           HG2      MET  10 -11.471 -10.796   9.663
   62   2HG   MET  10           HG1      MET  10 -12.701  -9.558   9.923
   63   1HE   MET  10           HE1      MET  10 -12.647 -12.209  11.069
   64   2HE   MET  10           HE3      MET  10 -14.303 -11.624  11.291
   65   3HE   MET  10           HE2      MET  10 -14.014 -13.240  10.653
   66    H    ALA  11           HN       ALA  11  -8.914 -10.776   5.807
   67    HA   ALA  11           HA       ALA  11  -8.630 -10.238   3.519
   68   1HB   ALA  11           HB3      ALA  11 -11.023  -9.025   3.927
   69   2HB   ALA  11           HB2      ALA  11 -10.001  -7.605   3.708
   70   3HB   ALA  11           HB1      ALA  11 -10.091  -8.831   2.443
   71    H    ILE  12           HN       ILE  12  -8.804  -7.232   5.447
   72    HA   ILE  12           HA       ILE  12  -6.028  -6.614   4.588
   73    HB   ILE  12           HB       ILE  12  -8.086  -4.816   5.901
   74   1HG1  ILE  12          HG12      ILE  12  -7.172  -4.833   3.012
   75   2HG1  ILE  12          HG11      ILE  12  -8.633  -5.653   3.561
   76   1HG2  ILE  12          HG22      ILE  12  -5.243  -4.556   5.273
   77   2HG2  ILE  12          HG21      ILE  12  -6.212  -3.290   4.519
   78   3HG2  ILE  12          HG23      ILE  12  -6.268  -3.522   6.266
   79   1HD1  ILE  12          HD13      ILE  12  -8.799  -3.096   4.689
   80   2HD1  ILE  12          HD12      ILE  12  -8.200  -2.823   3.053
   81   3HD1  ILE  12          HD11      ILE  12  -9.714  -3.692   3.303
   82    HA   PRO  13           HA       PRO  13  -5.533  -7.952   8.903
   83   1HB   PRO  13           HB2      PRO  13  -2.938  -8.818   8.647
   84   2HB   PRO  13           HB1      PRO  13  -4.356  -9.798   8.244
   85   1HG   PRO  13           HG2      PRO  13  -2.398  -8.521   6.426
   86   2HG   PRO  13           HG1      PRO  13  -3.519  -9.853   6.102
   87   1HD   PRO  13           HD2      PRO  13  -3.802  -7.101   5.355
   88   2HD   PRO  13           HD1      PRO  13  -4.983  -8.412   5.085
   89    H    HIS  14           HN       HIS  14  -3.806  -7.438  10.589
   90    HA   HIS  14           HA       HIS  14  -3.340  -4.616  10.628
   91   1HB   HIS  14           HB2      HIS  14  -2.147  -6.774  12.406
   92   2HB   HIS  14           HB1      HIS  14  -2.364  -5.078  12.795
   93    HD1  HIS  14           HD1      HIS  14  -4.559  -4.401  13.825
   94    HD2  HIS  14           HD2      HIS  14  -4.750  -8.155  12.030
   95    HE1  HIS  14           HE1      HIS  14  -6.842  -5.350  14.389
   96    H    ASN  15           HN       ASN  15  -1.297  -3.498  10.384
   97    HA   ASN  15           HA       ASN  15   0.814  -3.145   9.440
   98   1HB   ASN  15           HB2      ASN  15   1.302  -4.672  11.463
   99   2HB   ASN  15           HB1      ASN  15   1.461  -5.970  10.279
  100   1HD2  ASN  15          HD22      ASN  15   4.398  -3.172  10.616
  101   2HD2  ASN  15          HD21      ASN  15   2.976  -3.057  11.536
  102    HA   PRO  16           HA       PRO  16  -0.309  -6.043   5.891
  103   1HB   PRO  16           HB2      PRO  16  -1.834  -4.308   4.410
  104   2HB   PRO  16           HB1      PRO  16  -2.513  -5.414   5.617
  105   1HG   PRO  16           HG2      PRO  16  -2.085  -2.464   5.801
  106   2HG   PRO  16           HG1      PRO  16  -3.297  -3.474   6.605
  107   1HD   PRO  16           HD2      PRO  16  -0.945  -2.477   7.806
  108   2HD   PRO  16           HD1      PRO  16  -1.973  -3.782   8.432
  109    H    LEU  17           HN       LEU  17   0.322  -5.702   3.596
  110    HA   LEU  17           HA       LEU  17   1.957  -5.038   2.058
  111   1HB   LEU  17           HB2      LEU  17   0.462  -2.626   2.907
  112   2HB   LEU  17           HB1      LEU  17   1.966  -2.335   2.034
  113    HG   LEU  17           HG       LEU  17   0.880  -4.343   0.536
  114   1HD1  LEU  17          HD13      LEU  17  -1.397  -2.626   1.573
  115   2HD1  LEU  17          HD12      LEU  17  -1.512  -3.723   0.196
  116   3HD1  LEU  17          HD11      LEU  17  -1.206  -4.364   1.810
  117   1HD2  LEU  17          HD21      LEU  17   1.739  -1.898   0.025
  118   2HD2  LEU  17          HD23      LEU  17   0.669  -2.712  -1.117
  119   3HD2  LEU  17          HD22      LEU  17   0.017  -1.517   0.004
  120    H    ASP  18           HN       ASP  18   3.224  -5.744   4.405
  121    HA   ASP  18           HA       ASP  18   4.969  -3.599   5.334
  122   1HB   ASP  18           HB2      ASP  18   6.140  -5.337   6.574
  123   2HB   ASP  18           HB1      ASP  18   4.403  -5.616   6.721
  124    H    SER  19           HN       SER  19   5.255  -6.314   3.098
  125    HA   SER  19           HA       SER  19   7.999  -5.989   2.408
  126   1HB   SER  19           HB2      SER  19   6.036  -7.742   1.673
  127   2HB   SER  19           HB1      SER  19   6.144  -6.753   0.220
  128    HG   SER  19           HG       SER  19   8.014  -8.454   1.397
  129    H    CYS  20           HN       CYS  20   5.135  -4.215   1.573
  130    HA   CYS  20           HA       CYS  20   6.240  -2.870  -0.740
  131   1HB   CYS  20           HB2      CYS  20   3.932  -2.088   1.052
  132   2HB   CYS  20           HB1      CYS  20   4.279  -1.411  -0.540
  133    H    ARG  21           HN       ARG  21   5.997  -2.134   2.721
  134    HA   ARG  21           HA       ARG  21   7.002   0.532   2.524
  135   1HB   ARG  21           HB2      ARG  21   6.261   0.370   4.650
  136   2HB   ARG  21           HB1      ARG  21   6.420  -1.381   4.670
  137   1HG   ARG  21           HG2      ARG  21   7.901  -0.405   6.352
  138   2HG   ARG  21           HG1      ARG  21   8.879  -1.103   5.061
  139   1HD   ARG  21           HD2      ARG  21   9.635   0.932   4.354
  140   2HD   ARG  21           HD1      ARG  21   8.092   1.725   4.671
  141    HE   ARG  21           HE       ARG  21   9.725   0.966   7.023
  142   1HH1  ARG  21          HH21      ARG  21   9.023   3.347   4.655
  143   2HH1  ARG  21          HH22      ARG  21   9.160   4.680   5.752
  144   1HH2  ARG  21          HH11      ARG  21   9.693   2.682   8.535
  145   2HH2  ARG  21          HH12      ARG  21   9.541   4.304   7.947
  146    H    TRP  22           HN       TRP  22   8.688  -2.587   3.149
  147    HA   TRP  22           HA       TRP  22  11.279  -1.292   3.160
  148   1HB   TRP  22           HB2      TRP  22  10.473  -4.183   3.070
  149   2HB   TRP  22           HB1      TRP  22  12.139  -3.690   2.813
  150    HD1  TRP  22           HD1      TRP  22  10.055  -4.700   5.516
  151    HE1  TRP  22           HE1      TRP  22  10.908  -3.769   7.783
  152    HE3  TRP  22           HE3      TRP  22  13.208  -1.231   3.774
  153    HZ2  TRP  22           HZ2      TRP  22  12.755  -1.730   8.694
  154    HZ3  TRP  22           HZ3      TRP  22  14.536   0.233   5.308
  155    HH2  TRP  22           HH2      TRP  22  14.307  -0.024   7.768
  156    H    TYR  23           HN       TYR  23   9.212  -2.627   0.685
  157    HA   TYR  23           HA       TYR  23  11.244  -2.933  -1.326
  158   1HB   TYR  23           HB2      TYR  23   8.998  -3.947  -1.551
  159   2HB   TYR  23           HB1      TYR  23   8.292  -2.336  -1.707
  160    HD1  TYR  23           HD1      TYR  23  11.511  -3.643  -3.084
  161    HD2  TYR  23           HD2      TYR  23   7.539  -2.252  -3.951
  162    HE1  TYR  23           HE1      TYR  23  12.033  -3.659  -5.508
  163    HE2  TYR  23           HE2      TYR  23   8.063  -2.269  -6.373
  164    HH   TYR  23           HH       TYR  23  11.323  -3.011  -7.544
  165    H    VAL  24           HN       VAL  24   9.378  -0.186  -0.132
  166    HA   VAL  24           HA       VAL  24  10.234   1.578  -2.301
  167    HB   VAL  24           HB       VAL  24   9.177   2.246   0.459
  168   1HG1  VAL  24          HG11      VAL  24  10.596   4.009  -0.645
  169   2HG1  VAL  24          HG13      VAL  24   9.433   4.028  -1.972
  170   3HG1  VAL  24          HG12      VAL  24   8.929   4.503  -0.349
  171   1HG2  VAL  24          HG22      VAL  24   7.925   1.708  -2.205
  172   2HG2  VAL  24          HG21      VAL  24   7.330   1.314  -0.592
  173   3HG2  VAL  24          HG23      VAL  24   7.208   2.967  -1.197
  174    H    SER  25           HN       SER  25  11.267   0.882   1.031
  175    HA   SER  25           HA       SER  25  13.280   2.849   1.251
  176   1HB   SER  25           HB2      SER  25  14.071   0.265   2.380
  177   2HB   SER  25           HB1      SER  25  13.791   1.805   3.186
  178    HG   SER  25           HG       SER  25  11.518   1.359   2.927
  179    H    THR  26           HN       THR  26  13.459  -0.413  -0.182
  180    HA   THR  26           HA       THR  26  16.284  -0.171  -0.842
  181    HB   THR  26           HB       THR  26  14.115  -2.167  -1.457
  182    HG1  THR  26           HG1      THR  26  16.651  -2.663  -0.378
  183   1HG2  THR  26          HG21      THR  26  16.571  -1.694  -2.996
  184   2HG2  THR  26          HG23      THR  26  16.439  -3.341  -2.378
  185   3HG2  THR  26          HG22      THR  26  15.164  -2.678  -3.399
  186    H    ARG  27           HN       ARG  27  13.357  -0.290  -2.914
  187    HA   ARG  27           HA       ARG  27  14.718   0.254  -5.334
  188   1HB   ARG  27           HB2      ARG  27  12.346  -0.511  -5.165
  189   2HB   ARG  27           HB1      ARG  27  11.899   1.108  -4.628
  190   1HG   ARG  27           HG2      ARG  27  11.581   1.487  -6.853
  191   2HG   ARG  27           HG1      ARG  27  13.332   1.702  -6.866
  192   1HD   ARG  27           HD2      ARG  27  12.893  -1.083  -7.020
  193   2HD   ARG  27           HD1      ARG  27  11.753  -0.350  -8.148
  194    HE   ARG  27           HE       ARG  27  14.532  -0.588  -8.626
  195   1HH1  ARG  27          HH11      ARG  27  15.188   2.063  -8.308
  196   2HH1  ARG  27          HH12      ARG  27  14.543   2.914  -9.672
  197   1HH2  ARG  27          HH21      ARG  27  12.335   0.385 -10.539
  198   2HH2  ARG  27          HH22      ARG  27  12.927   1.964 -10.935
  199    H    THR  28           HN       THR  28  13.836   2.402  -2.733
  200    HA   THR  28           HA       THR  28  14.277   4.782  -4.422
  201    HB   THR  28           HB       THR  28  13.556   6.063  -2.461
  202    HG1  THR  28           HG1      THR  28  13.010   4.933  -0.571
  203   1HG2  THR  28          HG23      THR  28  11.900   3.625  -3.128
  204   2HG2  THR  28          HG22      THR  28  11.295   4.965  -2.155
  205   3HG2  THR  28          HG21      THR  28  11.774   5.237  -3.831
  206    H    CYS  29           HN       CYS  29  15.568   3.905  -1.161
  207    HA   CYS  29           HA       CYS  29  18.041   5.376  -1.898
  208   1HB   CYS  29           HB2      CYS  29  17.487   4.218   0.824
  209   2HB   CYS  29           HB1      CYS  29  18.459   5.625   0.397
  210    H    GLY  30           HN       GLY  30  17.155   2.474  -2.583
  211   1HA   GLY  30           HA2      GLY  30  18.234   0.386  -2.816
  212   2HA   GLY  30           HA1      GLY  30  19.736   1.301  -2.672
  213    H    VAL  31           HN       VAL  31  17.469   1.525  -0.057
  214    HA   VAL  31           HA       VAL  31  19.328  -0.109   1.615
  215    HB   VAL  31           HB       VAL  31  17.340   2.055   2.365
  216   1HG1  VAL  31          HG12      VAL  31  18.974   0.132   4.007
  217   2HG1  VAL  31          HG11      VAL  31  18.592   1.732   4.638
  218   3HG1  VAL  31          HG13      VAL  31  17.291   0.616   4.219
  219   1HG2  VAL  31          HG21      VAL  31  20.125   2.041   1.599
  220   2HG2  VAL  31          HG23      VAL  31  19.096   3.418   1.988
  221   3HG2  VAL  31          HG22      VAL  31  19.971   2.582   3.271
  222    H    GLY  32           HN       GLY  32  18.271  -1.463   3.337
  223   1HA   GLY  32           HA2      GLY  32  15.827  -2.196   3.958
  224   2HA   GLY  32           HA1      GLY  32  15.789  -2.627   2.242
  225    HA   PRO  33           HA       PRO  33  17.720  -6.122   4.820
  226   1HB   PRO  33           HB2      PRO  33  15.924  -8.112   4.110
  227   2HB   PRO  33           HB1      PRO  33  15.797  -7.135   5.582
  228   1HG   PRO  33           HG2      PRO  33  14.284  -6.882   3.007
  229   2HG   PRO  33           HG1      PRO  33  13.738  -6.581   4.666
  230   1HD   PRO  33           HD2      PRO  33  14.403  -4.583   2.912
  231   2HD   PRO  33           HD1      PRO  33  14.521  -4.423   4.681
  232    H    ARG  34           HN       ARG  34  18.449  -8.357   3.719
  233    HA   ARG  34           HA       ARG  34  19.345  -7.618   1.009
  234   1HB   ARG  34           HB2      ARG  34  20.140  -9.695   3.031
  235   2HB   ARG  34           HB1      ARG  34  20.622  -9.883   1.345
  236   1HG   ARG  34           HG2      ARG  34  21.492  -7.470   1.492
  237   2HG   ARG  34           HG1      ARG  34  21.312  -7.634   3.241
  238   1HD   ARG  34           HD2      ARG  34  23.058  -9.104   3.419
  239   2HD   ARG  34           HD1      ARG  34  22.718  -9.857   1.862
  240    HE   ARG  34           HE       ARG  34  24.288  -7.360   2.257
  241   1HH1  ARG  34          HH11      ARG  34  24.152 -10.336   0.751
  242   2HH1  ARG  34          HH12      ARG  34  24.657  -9.778  -0.808
  243   1HH2  ARG  34          HH21      ARG  34  24.451  -6.421   0.030
  244   2HH2  ARG  34          HH22      ARG  34  24.827  -7.562  -1.216
  245    H    LEU  35           HN       LEU  35  17.249  -7.901   0.000
  246    HA   LEU  35           HA       LEU  35  16.763 -10.743  -0.732
  247   1HB   LEU  35           HB2      LEU  35  15.076  -9.448   1.005
  248   2HB   LEU  35           HB1      LEU  35  14.330  -9.078  -0.551
  249    HG   LEU  35           HG       LEU  35  15.216 -11.890  -0.068
  250   1HD1  LEU  35          HD13      LEU  35  12.999 -10.476   1.368
  251   2HD1  LEU  35          HD12      LEU  35  12.747 -12.143   0.853
  252   3HD1  LEU  35          HD11      LEU  35  14.072 -11.749   1.947
  253   1HD2  LEU  35          HD23      LEU  35  13.931 -10.596  -2.104
  254   2HD2  LEU  35          HD22      LEU  35  13.779 -12.325  -1.789
  255   3HD2  LEU  35          HD21      LEU  35  12.559 -11.207  -1.178
  256    H    ALA  36           HN       ALA  36  16.580 -10.940  -2.938
  257    HA   ALA  36           HA       ALA  36  17.201  -8.919  -4.732
  258   1HB   ALA  36           HB1      ALA  36  15.588 -11.437  -5.005
  259   2HB   ALA  36           HB3      ALA  36  15.685 -10.325  -6.371
  260   3HB   ALA  36           HB2      ALA  36  17.155 -11.036  -5.707
  261    H    THR  37           HN       THR  37  15.803  -7.633  -6.223
  262    HA   THR  37           HA       THR  37  13.609  -6.379  -4.783
  263    HB   THR  37           HB       THR  37  13.429  -5.392  -7.328
  264    HG1  THR  37           HG1      THR  37  15.060  -6.455  -8.246
  265   1HG2  THR  37          HG21      THR  37  14.666  -4.661  -4.806
  266   2HG2  THR  37          HG23      THR  37  15.563  -3.992  -6.169
  267   3HG2  THR  37          HG22      THR  37  13.845  -3.636  -5.983
  268    H    GLN  38           HN       GLN  38  13.759  -8.224  -7.864
  269    HA   GLN  38           HA       GLN  38  11.048  -8.246  -8.488
  270   1HB   GLN  38           HB2      GLN  38  12.710  -9.323  -9.925
  271   2HB   GLN  38           HB1      GLN  38  12.999 -10.561  -8.702
  272   1HG   GLN  38           HG2      GLN  38  10.315 -10.791  -8.949
  273   2HG   GLN  38           HG1      GLN  38  10.718 -10.255 -10.581
  274   1HE2  GLN  38          HE22      GLN  38  12.969 -13.171 -11.022
  275   2HE2  GLN  38          HE21      GLN  38  13.107 -11.483 -11.142
  276    H    GLU  39           HN       GLU  39  12.687 -10.100  -5.972
  277    HA   GLU  39           HA       GLU  39  10.426 -11.793  -5.359
  278   1HB   GLU  39           HB2      GLU  39  12.866 -10.962  -3.766
  279   2HB   GLU  39           HB1      GLU  39  11.651 -12.080  -3.143
  280   1HG   GLU  39           HG2      GLU  39  12.196 -13.072  -5.680
  281   2HG   GLU  39           HG1      GLU  39  13.777 -12.551  -5.094
  282    H    MET  40           HN       MET  40  11.616  -8.700  -4.101
  283    HA   MET  40           HA       MET  40   9.727  -8.373  -1.994
  284   1HB   MET  40           HB2      MET  40  11.849  -6.979  -2.704
  285   2HB   MET  40           HB1      MET  40  10.691  -6.065  -3.661
  286   1HG   MET  40           HG2      MET  40  10.555  -4.874  -1.699
  287   2HG   MET  40           HG1      MET  40   9.329  -6.099  -1.363
  288   1HE   MET  40           HE2      MET  40   9.128  -6.026   0.647
  289   2HE   MET  40           HE1      MET  40   9.816  -7.424   1.467
  290   3HE   MET  40           HE3      MET  40  10.322  -5.791   1.920
  291    H    LYS  41           HN       LYS  41   9.717  -6.881  -5.235
  292    HA   LYS  41           HA       LYS  41   7.128  -5.813  -5.204
  293   1HB   LYS  41           HB2      LYS  41   8.534  -5.287  -7.057
  294   2HB   LYS  41           HB1      LYS  41   8.757  -6.986  -7.467
  295   1HG   LYS  41           HG2      LYS  41   6.641  -7.181  -8.411
  296   2HG   LYS  41           HG1      LYS  41   5.981  -5.855  -7.453
  297   1HD   LYS  41           HD2      LYS  41   6.182  -4.811  -9.515
  298   2HD   LYS  41           HD1      LYS  41   7.752  -4.426  -8.811
  299   1HE   LYS  41           HE2      LYS  41   7.652  -7.028 -10.194
  300   2HE   LYS  41           HE1      LYS  41   7.408  -5.634 -11.248
  301   1HZ   LYS  41           HZ2      LYS  41   9.499  -5.149  -9.396
  302   2HZ   LYS  41           HZ1      LYS  41   9.805  -6.575 -10.268
  303   3HZ   LYS  41           HZ3      LYS  41   9.542  -5.116 -11.094
  304    H    ALA  42           HN       ALA  42   8.127  -9.135  -6.004
  305    HA   ALA  42           HA       ALA  42   5.600 -10.116  -6.845
  306   1HB   ALA  42           HB3      ALA  42   7.996 -11.405  -5.549
  307   2HB   ALA  42           HB2      ALA  42   6.538 -12.342  -5.871
  308   3HB   ALA  42           HB1      ALA  42   7.408 -11.581  -7.203
  309    H    ARG  43           HN       ARG  43   7.047  -9.985  -3.590
  310    HA   ARG  43           HA       ARG  43   4.912 -11.249  -2.214
  311   1HB   ARG  43           HB2      ARG  43   7.137  -9.413  -1.461
  312   2HB   ARG  43           HB1      ARG  43   5.810  -9.590  -0.311
  313   1HG   ARG  43           HG2      ARG  43   7.611 -11.251   0.099
  314   2HG   ARG  43           HG1      ARG  43   6.086 -12.027  -0.328
  315   1HD   ARG  43           HD2      ARG  43   6.935 -12.014  -2.749
  316   2HD   ARG  43           HD1      ARG  43   8.514 -11.613  -2.079
  317    HE   ARG  43           HE       ARG  43   8.659 -13.817  -1.191
  318   1HH1  ARG  43          HH11      ARG  43   6.245 -13.585  -3.489
  319   2HH1  ARG  43          HH12      ARG  43   5.378 -14.997  -2.986
  320   1HH2  ARG  43          HH21      ARG  43   7.243 -15.441  -0.098
  321   2HH2  ARG  43          HH22      ARG  43   5.941 -16.046  -1.068
  322    H    CYS  44           HN       CYS  44   5.478  -7.752  -2.816
  323    HA   CYS  44           HA       CYS  44   3.143  -6.834  -1.496
  324   1HB   CYS  44           HB2      CYS  44   4.769  -5.721  -3.756
  325   2HB   CYS  44           HB1      CYS  44   3.257  -4.947  -3.277
  326    H    CYS  45           HN       CYS  45   3.546  -8.161  -4.773
  327    HA   CYS  45           HA       CYS  45   0.873  -7.425  -5.614
  328   1HB   CYS  45           HB2      CYS  45   2.942  -9.344  -6.661
  329   2HB   CYS  45           HB1      CYS  45   1.314  -9.325  -7.333
  330    H    ARG  46           HN       ARG  46   2.250 -10.155  -3.872
  331    HA   ARG  46           HA       ARG  46  -0.102 -11.828  -4.133
  332   1HB   ARG  46           HB2      ARG  46   2.317 -12.443  -3.311
  333   2HB   ARG  46           HB1      ARG  46   1.718 -11.951  -1.736
  334   1HG   ARG  46           HG2      ARG  46  -0.034 -13.760  -3.315
  335   2HG   ARG  46           HG1      ARG  46   1.434 -14.462  -2.634
  336   1HD   ARG  46           HD2      ARG  46   0.573 -13.061  -0.491
  337   2HD   ARG  46           HD1      ARG  46  -0.977 -13.412  -1.254
  338    HE   ARG  46           HE       ARG  46  -0.244 -15.854  -1.189
  339   1HH1  ARG  46          HH11      ARG  46   2.530 -15.144  -0.128
  340   2HH1  ARG  46          HH12      ARG  46   2.350 -15.522   1.553
  341   1HH2  ARG  46          HH21      ARG  46  -1.115 -15.624   1.427
  342   2HH2  ARG  46          HH22      ARG  46   0.283 -15.794   2.435
  343    H    GLN  47           HN       GLN  47   0.987  -9.312  -1.911
  344    HA   GLN  47           HA       GLN  47  -1.282  -9.655  -0.090
  345   1HB   GLN  47           HB2      GLN  47   0.430  -7.174  -0.357
  346   2HB   GLN  47           HB1      GLN  47  -0.415  -7.765   1.073
  347   1HG   GLN  47           HG2      GLN  47   1.319  -9.845   0.192
  348   2HG   GLN  47           HG1      GLN  47   2.257  -8.352   0.222
  349   1HE2  GLN  47          HE22      GLN  47   2.678  -8.873   3.690
  350   2HE2  GLN  47          HE21      GLN  47   3.427  -8.697   2.177
  351    H    LEU  48           HN       LEU  48  -0.598  -7.886  -2.997
  352    HA   LEU  48           HA       LEU  48  -2.737  -5.964  -2.799
  353   1HB   LEU  48           HB2      LEU  48  -0.598  -5.979  -4.322
  354   2HB   LEU  48           HB1      LEU  48  -1.571  -6.978  -5.394
  355    HG   LEU  48           HG       LEU  48  -1.564  -4.429  -5.803
  356   1HD1  LEU  48          HD12      LEU  48  -3.325  -6.336  -6.456
  357   2HD1  LEU  48          HD11      LEU  48  -4.371  -5.344  -5.439
  358   3HD1  LEU  48          HD13      LEU  48  -3.589  -4.638  -6.852
  359   1HD2  LEU  48          HD21      LEU  48  -1.934  -3.943  -3.331
  360   2HD2  LEU  48          HD23      LEU  48  -2.995  -3.081  -4.444
  361   3HD2  LEU  48          HD22      LEU  48  -3.596  -4.487  -3.564
  362    H    GLU  49           HN       GLU  49  -2.384  -9.229  -4.095
  363    HA   GLU  49           HA       GLU  49  -5.040  -9.253  -5.309
  364   1HB   GLU  49           HB2      GLU  49  -3.120 -11.506  -4.621
  365   2HB   GLU  49           HB1      GLU  49  -4.615 -11.709  -5.535
  366   1HG   GLU  49           HG2      GLU  49  -3.007  -9.541  -6.616
  367   2HG   GLU  49           HG1      GLU  49  -2.104 -11.056  -6.588
  368    H    ALA  50           HN       ALA  50  -3.605 -10.991  -2.505
  369    HA   ALA  50           HA       ALA  50  -5.944 -12.052  -1.404
  370   1HB   ALA  50           HB3      ALA  50  -3.313 -11.646  -0.511
  371   2HB   ALA  50           HB2      ALA  50  -4.319 -10.817   0.677
  372   3HB   ALA  50           HB1      ALA  50  -4.580 -12.528   0.342
  373    H    ILE  51           HN       ILE  51  -4.731  -8.771  -1.356
  374    HA   ILE  51           HA       ILE  51  -6.900  -7.744   0.328
  375    HB   ILE  51           HB       ILE  51  -4.729  -6.372  -1.288
  376   1HG1  ILE  51          HG12      ILE  51  -4.105  -7.698   0.796
  377   2HG1  ILE  51          HG11      ILE  51  -3.679  -5.987   0.844
  378   1HG2  ILE  51          HG21      ILE  51  -6.769  -5.204   0.631
  379   2HG2  ILE  51          HG23      ILE  51  -5.434  -4.318  -0.106
  380   3HG2  ILE  51          HG22      ILE  51  -6.736  -4.951  -1.114
  381   1HD1  ILE  51          HD11      ILE  51  -6.278  -7.045   1.971
  382   2HD1  ILE  51          HD13      ILE  51  -4.811  -6.903   2.940
  383   3HD1  ILE  51          HD12      ILE  51  -5.548  -5.462   2.238
  384    HA   PRO  52           HA       PRO  52  -9.405  -7.882  -3.407
  385   1HB   PRO  52           HB2      PRO  52 -11.721  -7.043  -2.147
  386   2HB   PRO  52           HB1      PRO  52 -11.160  -8.724  -2.208
  387   1HG   PRO  52           HG2      PRO  52 -10.964  -6.752   0.045
  388   2HG   PRO  52           HG1      PRO  52 -11.190  -8.510   0.108
  389   1HD   PRO  52           HD2      PRO  52  -8.763  -7.273   0.591
  390   2HD   PRO  52           HD1      PRO  52  -8.913  -8.937  -0.016
  391    H    ALA  53           HN       ALA  53 -10.172  -6.289  -4.820
  392    HA   ALA  53           HA       ALA  53  -8.992  -3.729  -4.641
  393   1HB   ALA  53           HB3      ALA  53 -10.498  -5.190  -6.534
  394   2HB   ALA  53           HB2      ALA  53 -11.293  -3.627  -6.345
  395   3HB   ALA  53           HB1      ALA  53  -9.588  -3.701  -6.792
  396    H    TYR  54           HN       TYR  54 -12.263  -4.768  -3.692
  397    HA   TYR  54           HA       TYR  54 -13.542  -2.307  -3.418
  398   1HB   TYR  54           HB2      TYR  54 -14.240  -4.759  -2.630
  399   2HB   TYR  54           HB1      TYR  54 -13.682  -4.156  -1.067
  400    HD1  TYR  54           HD1      TYR  54 -16.120  -3.669  -3.803
  401    HD2  TYR  54           HD2      TYR  54 -14.846  -2.365   0.087
  402    HE1  TYR  54           HE1      TYR  54 -18.227  -2.389  -3.541
  403    HE2  TYR  54           HE2      TYR  54 -16.956  -1.088   0.349
  404    HH   TYR  54           HH       TYR  54 -19.257  -0.782  -2.312
  405    H    CYS  55           HN       CYS  55 -10.840  -3.574  -1.659
  406    HA   CYS  55           HA       CYS  55 -10.764  -1.086  -0.007
  407   1HB   CYS  55           HB2      CYS  55  -9.338  -3.673   0.646
  408   2HB   CYS  55           HB1      CYS  55  -9.635  -2.300   1.710
  409    H    ARG  56           HN       ARG  56  -8.317  -3.543  -0.907
  410    HA   ARG  56           HA       ARG  56  -6.034  -3.125  -1.427
  411   1HB   ARG  56           HB2      ARG  56  -7.859  -2.333  -3.637
  412   2HB   ARG  56           HB1      ARG  56  -6.171  -1.842  -3.808
  413   1HG   ARG  56           HG2      ARG  56  -5.436  -4.156  -3.429
  414   2HG   ARG  56           HG1      ARG  56  -7.108  -4.665  -3.202
  415   1HD   ARG  56           HD2      ARG  56  -7.432  -3.572  -5.588
  416   2HD   ARG  56           HD1      ARG  56  -5.698  -3.853  -5.721
  417    HE   ARG  56           HE       ARG  56  -6.550  -6.290  -4.879
  418   1HH1  ARG  56          HH21      ARG  56  -7.819  -4.126  -7.255
  419   2HH1  ARG  56          HH22      ARG  56  -8.403  -5.391  -8.277
  420   1HH2  ARG  56          HH11      ARG  56  -7.287  -7.939  -6.218
  421   2HH2  ARG  56          HH12      ARG  56  -8.106  -7.544  -7.692
  422    H    CYS  57           HN       CYS  57  -6.813  -0.202  -3.183
  423    HA   CYS  57           HA       CYS  57  -4.858   1.445  -2.282
  424   1HB   CYS  57           HB2      CYS  57  -7.756   2.167  -2.735
  425   2HB   CYS  57           HB1      CYS  57  -6.513   3.384  -2.441
  426    H    GLU  58           HN       GLU  58  -7.984   1.291  -0.429
  427    HA   GLU  58           HA       GLU  58  -7.517   2.924   1.681
  428   1HB   GLU  58           HB2      GLU  58  -9.115   0.653   1.263
  429   2HB   GLU  58           HB1      GLU  58  -8.263   0.347   2.778
  430   1HG   GLU  58           HG2      GLU  58  -8.976   2.561   3.622
  431   2HG   GLU  58           HG1      GLU  58  -9.850   2.846   2.116
  432    H    ALA  59           HN       ALA  59  -6.180  -0.426   1.628
  433    HA   ALA  59           HA       ALA  59  -4.795  -0.591   3.957
  434   1HB   ALA  59           HB1      ALA  59  -4.666  -2.137   1.894
  435   2HB   ALA  59           HB3      ALA  59  -3.306  -1.131   1.396
  436   3HB   ALA  59           HB2      ALA  59  -3.233  -2.024   2.915
  437    H    VAL  60           HN       VAL  60  -3.485   1.131   1.138
  438    HA   VAL  60           HA       VAL  60  -1.139   2.126   2.325
  439    HB   VAL  60           HB       VAL  60  -2.857   3.740   0.430
  440   1HG1  VAL  60          HG12      VAL  60  -0.134   3.862   1.462
  441   2HG1  VAL  60          HG11      VAL  60  -0.160   3.801  -0.300
  442   3HG1  VAL  60          HG13      VAL  60  -1.038   5.070   0.551
  443   1HG2  VAL  60          HG22      VAL  60  -1.414   1.161   0.026
  444   2HG2  VAL  60          HG21      VAL  60  -2.836   1.793  -0.801
  445   3HG2  VAL  60          HG23      VAL  60  -1.231   2.382  -1.233
  446    H    ARG  61           HN       ARG  61  -4.367   3.653   2.186
  447    HA   ARG  61           HA       ARG  61  -3.802   5.972   3.674
  448   1HB   ARG  61           HB2      ARG  61  -6.202   4.399   3.017
  449   2HB   ARG  61           HB1      ARG  61  -6.338   5.314   4.520
  450   1HG   ARG  61           HG2      ARG  61  -5.472   7.330   3.234
  451   2HG   ARG  61           HG1      ARG  61  -5.691   6.381   1.763
  452   1HD   ARG  61           HD2      ARG  61  -7.638   7.925   2.514
  453   2HD   ARG  61           HD1      ARG  61  -8.030   6.273   2.036
  454    HE   ARG  61           HE       ARG  61  -8.372   5.723   4.372
  455   1HH1  ARG  61          HH11      ARG  61  -6.489   8.459   4.508
  456   2HH1  ARG  61          HH12      ARG  61  -7.428   9.280   5.709
  457   1HH2  ARG  61          HH21      ARG  61 -10.045   7.007   5.597
  458   2HH2  ARG  61          HH22      ARG  61  -9.442   8.458   6.327
  459    H    ILE  62           HN       ILE  62  -4.249   2.667   4.789
  460    HA   ILE  62           HA       ILE  62  -4.497   3.417   7.601
  461    HB   ILE  62           HB       ILE  62  -4.126   0.820   6.109
  462   1HG1  ILE  62          HG12      ILE  62  -6.227   1.819   8.056
  463   2HG1  ILE  62          HG11      ILE  62  -6.378   1.856   6.299
  464   1HG2  ILE  62          HG22      ILE  62  -3.571   1.392   8.980
  465   2HG2  ILE  62          HG21      ILE  62  -4.494  -0.068   8.621
  466   3HG2  ILE  62          HG23      ILE  62  -2.887   0.152   7.929
  467   1HD1  ILE  62          HD11      ILE  62  -5.588  -0.784   7.128
  468   2HD1  ILE  62          HD13      ILE  62  -7.017  -0.291   8.036
  469   3HD1  ILE  62          HD12      ILE  62  -7.049  -0.290   6.273
  470    H    LEU  63           HN       LEU  63  -1.837   2.600   5.436
  471    HA   LEU  63           HA       LEU  63   0.036   2.261   7.640
  472   1HB   LEU  63           HB2      LEU  63   0.238   1.309   5.236
  473   2HB   LEU  63           HB1      LEU  63   0.832   2.914   4.806
  474    HG   LEU  63           HG       LEU  63   2.499   2.666   6.723
  475   1HD1  LEU  63          HD13      LEU  63   1.160   0.728   7.728
  476   2HD1  LEU  63          HD12      LEU  63   1.842  -0.274   6.445
  477   3HD1  LEU  63          HD11      LEU  63   2.905   0.494   7.624
  478   1HD2  LEU  63          HD23      LEU  63   2.752   2.103   4.121
  479   2HD2  LEU  63          HD22      LEU  63   4.060   1.785   5.261
  480   3HD2  LEU  63          HD21      LEU  63   2.997   0.474   4.751
  481    H    MET  64           HN       MET  64  -0.715   4.884   5.356
  482    HA   MET  64           HA       MET  64   1.262   6.656   6.564
  483   1HB   MET  64           HB2      MET  64   0.459   6.781   4.153
  484   2HB   MET  64           HB1      MET  64  -1.059   7.440   4.770
  485   1HG   MET  64           HG2      MET  64   0.284   9.337   4.234
  486   2HG   MET  64           HG1      MET  64   0.373   9.183   5.989
  487   1HE   MET  64           HE3      MET  64   1.516   7.875   2.844
  488   2HE   MET  64           HE2      MET  64   3.025   8.757   2.627
  489   3HE   MET  64           HE1      MET  64   3.063   7.081   3.170
  490    H    ASP  65           HN       ASP  65  -2.335   6.551   6.551
  491    HA   ASP  65           HA       ASP  65  -2.411   8.628   8.613
  492   1HB   ASP  65           HB2      ASP  65  -4.598   7.077   7.185
  493   2HB   ASP  65           HB1      ASP  65  -4.943   8.007   8.641
  494    H    GLY  66           HN       GLY  66  -2.250   5.166   8.588
  495   1HA   GLY  66           HA2      GLY  66  -1.819   3.829  10.501
  496   2HA   GLY  66           HA1      GLY  66  -2.241   5.202  11.525
  497    H    VAL  67           HN       VAL  67  -3.185   2.356  11.534
  498    HA   VAL  67           HA       VAL  67  -6.116   2.869  11.229
  499    HB   VAL  67           HB       VAL  67  -5.481   1.100   9.732
  500   1HG1  VAL  67          HG13      VAL  67  -4.005   0.000  12.137
  501   2HG1  VAL  67          HG12      VAL  67  -4.310  -0.946  10.681
  502   3HG1  VAL  67          HG11      VAL  67  -3.312   0.506  10.596
  503   1HG2  VAL  67          HG23      VAL  67  -7.538   0.722  11.060
  504   2HG2  VAL  67          HG22      VAL  67  -6.737  -0.799  10.667
  505   3HG2  VAL  67          HG21      VAL  67  -6.584  -0.113  12.285
  506    H    VAL  68           HN       VAL  68  -7.481   1.809  12.880
  507    HA   VAL  68           HA       VAL  68  -6.027   1.586  15.477
  508    HB   VAL  68           HB       VAL  68  -8.718   2.731  14.762
  509   1HG1  VAL  68          HG13      VAL  68  -9.069   1.081  16.607
  510   2HG1  VAL  68          HG12      VAL  68  -7.832   1.913  17.550
  511   3HG1  VAL  68          HG11      VAL  68  -9.330   2.744  17.132
  512   1HG2  VAL  68          HG22      VAL  68  -6.150   3.612  15.964
  513   2HG2  VAL  68          HG21      VAL  68  -7.278   4.505  14.946
  514   3HG2  VAL  68          HG23      VAL  68  -7.610   4.308  16.667
  515    H    THR  69           HN       THR  69  -6.918   0.086  17.026
  516    HA   THR  69           HA       THR  69  -8.235  -2.259  15.736
  517    HB   THR  69           HB       THR  69  -7.029  -3.581  17.540
  518    HG1  THR  69           HG1      THR  69  -6.499  -1.166  18.396
  519   1HG2  THR  69          HG22      THR  69  -6.137  -2.606  15.061
  520   2HG2  THR  69          HG21      THR  69  -4.768  -2.421  16.156
  521   3HG2  THR  69          HG23      THR  69  -5.513  -4.004  15.936
  522    H    SER  70           HN       SER  70  -9.585  -3.538  17.179
  523    HA   SER  70           HA       SER  70 -11.462  -1.976  18.627
  524   1HB   SER  70           HB2      SER  70 -11.798  -4.278  17.555
  525   2HB   SER  70           HB1      SER  70 -11.046  -4.940  19.003
  526    HG   SER  70           HG       SER  70 -13.340  -3.262  18.900
  527    H    SER  71           HN       SER  71  -8.667  -3.798  19.659
  528    HA   SER  71           HA       SER  71  -9.198  -3.721  22.479
  529   1HB   SER  71           HB2      SER  71  -6.615  -3.944  22.593
  530   2HB   SER  71           HB1      SER  71  -7.523  -5.249  21.835
  531    HG   SER  71           HG       SER  71  -5.591  -3.860  20.780
  532    H    GLY  72           HN       GLY  72  -8.305  -1.288  20.260
  533   1HA   GLY  72           HA2      GLY  72  -8.350   1.067  20.915
  534   2HA   GLY  72           HA1      GLY  72  -7.822   0.576  22.530
  535    H    GLN  73           HN       GLN  73  -6.133  -1.201  20.201
  536    HA   GLN  73           HA       GLN  73  -3.712   0.435  20.707
  537   1HB   GLN  73           HB2      GLN  73  -4.067  -2.264  19.365
  538   2HB   GLN  73           HB1      GLN  73  -2.516  -1.500  19.716
  539   1HG   GLN  73           HG2      GLN  73  -4.365  -1.685  22.017
  540   2HG   GLN  73           HG1      GLN  73  -3.771  -3.231  21.409
  541   1HE2  GLN  73          HE22      GLN  73  -1.353  -1.422  23.845
  542   2HE2  GLN  73          HE21      GLN  73  -3.049  -1.485  23.896
  543    H    HIS  74           HN       HIS  74  -2.309   1.067  18.879
  544    HA   HIS  74           HA       HIS  74  -3.877   1.450  16.366
  545   1HB   HIS  74           HB2      HIS  74  -1.798   3.161  17.727
  546   2HB   HIS  74           HB1      HIS  74  -2.239   3.390  16.048
  547    HD1  HIS  74           HD1      HIS  74  -3.421   5.654  16.404
  548    HD2  HIS  74           HD2      HIS  74  -5.003   2.586  18.740
  549    HE1  HIS  74           HE1      HIS  74  -5.571   6.546  17.399
  550    H    GLU  75           HN       GLU  75  -2.607   1.301  14.377
  551    HA   GLU  75           HA       GLU  75   0.053   0.017  14.684
  552   1HB   GLU  75           HB2      GLU  75  -1.957  -1.169  12.791
  553   2HB   GLU  75           HB1      GLU  75  -0.487  -1.892  13.446
  554   1HG   GLU  75           HG2      GLU  75  -1.764  -1.469  15.756
  555   2HG   GLU  75           HG1      GLU  75  -3.174  -1.604  14.705
  556    H    GLY  76           HN       GLY  76   0.703  -0.559  12.166
  557   1HA   GLY  76           HA2      GLY  76   1.594   0.506  10.270
  558   2HA   GLY  76           HA1      GLY  76  -0.044   1.137  10.067
  559    H    ARG  77           HN       ARG  77   0.590   3.224   9.430
  560    HA   ARG  77           HA       ARG  77   1.279   5.449   9.752
  561   1HB   ARG  77           HB2      ARG  77  -0.151   4.708  11.962
  562   2HB   ARG  77           HB1      ARG  77   1.371   5.227  12.689
  563   1HG   ARG  77           HG2      ARG  77   0.766   7.129  10.686
  564   2HG   ARG  77           HG1      ARG  77  -0.735   6.847  11.569
  565   1HD   ARG  77           HD2      ARG  77   1.303   6.961  13.522
  566   2HD   ARG  77           HD1      ARG  77   1.614   8.300  12.416
  567    HE   ARG  77           HE       ARG  77  -0.632   9.153  12.921
  568   1HH1  ARG  77          HH21      ARG  77  -2.590   7.668  13.821
  569   2HH1  ARG  77          HH22      ARG  77  -2.380   7.372  15.514
  570   1HH2  ARG  77          HH11      ARG  77   0.974   8.256  15.521
  571   2HH2  ARG  77          HH12      ARG  77  -0.360   7.705  16.478
  572    H    LEU  78           HN       LEU  78   3.296   3.054  10.016
  573    HA   LEU  78           HA       LEU  78   5.386   4.221  11.704
  574   1HB   LEU  78           HB2      LEU  78   4.950   1.688  10.264
  575   2HB   LEU  78           HB1      LEU  78   6.624   2.248  10.244
  576    HG   LEU  78           HG       LEU  78   5.623   2.670  12.874
  577   1HD1  LEU  78          HD11      LEU  78   3.944   0.885  12.034
  578   2HD1  LEU  78          HD13      LEU  78   5.317  -0.221  12.064
  579   3HD1  LEU  78          HD12      LEU  78   4.786   0.565  13.551
  580   1HD2  LEU  78          HD21      LEU  78   7.596   0.751  11.612
  581   2HD2  LEU  78          HD23      LEU  78   7.944   2.264  12.449
  582   3HD2  LEU  78          HD22      LEU  78   7.369   0.866  13.357
  583    H    LEU  79           HN       LEU  79   4.338   4.675   8.479
  584    HA   LEU  79           HA       LEU  79   6.658   5.023   6.983
  585   1HB   LEU  79           HB2      LEU  79   3.948   6.080   6.927
  586   2HB   LEU  79           HB1      LEU  79   5.116   7.284   6.377
  587    HG   LEU  79           HG       LEU  79   4.279   5.835   4.523
  588   1HD1  LEU  79          HD12      LEU  79   7.198   5.694   5.306
  589   2HD1  LEU  79          HD11      LEU  79   6.607   5.132   3.742
  590   3HD1  LEU  79          HD13      LEU  79   6.430   6.827   4.195
  591   1HD2  LEU  79          HD22      LEU  79   5.484   3.716   6.302
  592   2HD2  LEU  79          HD21      LEU  79   3.900   3.731   5.528
  593   3HD2  LEU  79          HD23      LEU  79   5.351   3.468   4.561
  594    H    GLN  80           HN       GLN  80   8.461   5.833   8.064
  595    HA   GLN  80           HA       GLN  80   8.258   8.689   8.900
  596   1HB   GLN  80           HB2      GLN  80   9.676   6.470  10.408
  597   2HB   GLN  80           HB1      GLN  80   9.805   8.187  10.791
  598   1HG   GLN  80           HG2      GLN  80   7.042   7.661  10.588
  599   2HG   GLN  80           HG1      GLN  80   7.717   6.322  11.518
  600   1HE2  GLN  80          HE22      GLN  80   7.277   9.872  13.312
  601   2HE2  GLN  80          HE21      GLN  80   6.555   9.480  11.828
  602    H    ASP  81           HN       ASP  81  10.544   9.617   9.125
  603    HA   ASP  81           HA       ASP  81  11.899   9.307   6.631
  604   1HB   ASP  81           HB2      ASP  81  12.780  10.645   9.210
  605   2HB   ASP  81           HB1      ASP  81  13.618  10.797   7.664
  606    H    LEU  82           HN       LEU  82  12.925   7.450   6.160
  607    HA   LEU  82           HA       LEU  82  14.387   5.889   8.165
  608   1HB   LEU  82           HB2      LEU  82  13.826   5.655   5.210
  609   2HB   LEU  82           HB1      LEU  82  15.079   4.660   5.928
  610    HG   LEU  82           HG       LEU  82  12.294   4.794   7.088
  611   1HD1  LEU  82          HD13      LEU  82  13.324   3.301   4.719
  612   2HD1  LEU  82          HD12      LEU  82  12.288   2.416   5.839
  613   3HD1  LEU  82          HD11      LEU  82  11.692   3.880   5.058
  614   1HD2  LEU  82          HD23      LEU  82  14.133   3.882   8.490
  615   2HD2  LEU  82          HD22      LEU  82  12.958   2.635   8.065
  616   3HD2  LEU  82          HD21      LEU  82  14.505   2.716   7.220
  617    HA   PRO  83           HA       PRO  83  18.285   7.764   7.481
  618   1HB   PRO  83           HB2      PRO  83  20.014   5.671   6.964
  619   2HB   PRO  83           HB1      PRO  83  19.413   6.091   8.577
  620   1HG   PRO  83           HG2      PRO  83  18.561   3.861   6.771
  621   2HG   PRO  83           HG1      PRO  83  18.581   3.926   8.542
  622   1HD   PRO  83           HD2      PRO  83  16.294   4.219   6.992
  623   2HD   PRO  83           HD1      PRO  83  16.452   4.812   8.655
  624    H    GLY  84           HN       GLY  84  18.041   8.970   5.627
  625   1HA   GLY  84           HA2      GLY  84  18.891   9.554   3.465
  626   2HA   GLY  84           HA1      GLY  84  19.186   7.845   3.141
  627    H    CYS  85           HN       CYS  85  16.074   8.508   4.499
  628    HA   CYS  85           HA       CYS  85  14.808   8.805   1.835
  629   1HB   CYS  85           HB2      CYS  85  13.816   6.623   3.644
  630   2HB   CYS  85           HB1      CYS  85  13.573   6.822   1.910
  631    HA   PRO  86           HA       PRO  86  12.687  11.078   5.214
  632   1HB   PRO  86           HB2      PRO  86  12.018  13.262   3.671
  633   2HB   PRO  86           HB1      PRO  86  13.536  13.104   4.551
  634   1HG   PRO  86           HG2      PRO  86  13.025  12.825   1.631
  635   2HG   PRO  86           HG1      PRO  86  14.516  13.295   2.465
  636   1HD   PRO  86           HD2      PRO  86  13.984  10.762   1.355
  637   2HD   PRO  86           HD1      PRO  86  15.289  11.134   2.505
  638    H    ARG  87           HN       ARG  87  10.383  11.706   5.439
  639    HA   ARG  87           HA       ARG  87   8.496   9.992   4.379
  640   1HB   ARG  87           HB2      ARG  87   8.111  12.940   4.992
  641   2HB   ARG  87           HB1      ARG  87   6.822  11.746   4.867
  642   1HG   ARG  87           HG2      ARG  87   7.629  10.549   6.763
  643   2HG   ARG  87           HG1      ARG  87   9.132  11.469   6.780
  644   1HD   ARG  87           HD2      ARG  87   7.389  12.175   8.509
  645   2HD   ARG  87           HD1      ARG  87   8.019  13.463   7.482
  646    HE   ARG  87           HE       ARG  87   5.714  12.440   6.202
  647   1HH1  ARG  87          HH21      ARG  87   5.280  12.528   9.351
  648   2HH1  ARG  87          HH22      ARG  87   4.365  13.994   9.452
  649   1HH2  ARG  87          HH11      ARG  87   5.112  14.996   6.218
  650   2HH2  ARG  87          HH12      ARG  87   4.269  15.391   7.678
  651    H    GLN  88           HN       GLN  88   9.947  12.817   2.995
  652    HA   GLN  88           HA       GLN  88   8.169  13.462   0.910
  653   1HB   GLN  88           HB2      GLN  88  10.471  14.513   1.646
  654   2HB   GLN  88           HB1      GLN  88  11.111  13.494   0.355
  655   1HG   GLN  88           HG2      GLN  88  10.542  15.208  -1.019
  656   2HG   GLN  88           HG1      GLN  88   8.892  14.609  -0.838
  657   1HE2  GLN  88          HE22      GLN  88   7.907  17.229   1.396
  658   2HE2  GLN  88          HE21      GLN  88   7.554  15.641   0.910
  659    H    VAL  89           HN       VAL  89  10.928  11.151   0.647
  660    HA   VAL  89           HA       VAL  89  10.330  10.406  -2.038
  661    HB   VAL  89           HB       VAL  89  11.741   8.863   0.147
  662   1HG1  VAL  89          HG11      VAL  89  10.952   7.938  -2.315
  663   2HG1  VAL  89          HG13      VAL  89  12.556   8.578  -2.669
  664   3HG1  VAL  89          HG12      VAL  89  12.354   7.340  -1.428
  665   1HG2  VAL  89          HG22      VAL  89  12.587  11.153  -0.279
  666   2HG2  VAL  89          HG21      VAL  89  13.747   9.898  -0.710
  667   3HG2  VAL  89          HG23      VAL  89  12.824  10.715  -1.971
  668    H    GLN  90           HN       GLN  90   9.377   9.004   1.079
  669    HA   GLN  90           HA       GLN  90   8.032   6.721  -0.003
  670   1HB   GLN  90           HB2      GLN  90   7.578   8.282   2.558
  671   2HB   GLN  90           HB1      GLN  90   6.763   6.763   2.184
  672   1HG   GLN  90           HG2      GLN  90   8.574   5.889   3.294
  673   2HG   GLN  90           HG1      GLN  90   9.303   6.013   1.693
  674   1HE2  GLN  90          HE22      GLN  90  11.666   8.420   2.700
  675   2HE2  GLN  90          HE21      GLN  90  11.128   7.350   1.496
  676    H    ARG  91           HN       ARG  91   7.157  10.081   0.293
  677    HA   ARG  91           HA       ARG  91   4.315   9.639  -0.211
  678   1HB   ARG  91           HB2      ARG  91   5.863  11.779   0.714
  679   2HB   ARG  91           HB1      ARG  91   5.258  12.312  -0.857
  680   1HG   ARG  91           HG2      ARG  91   3.452  12.909   0.450
  681   2HG   ARG  91           HG1      ARG  91   2.993  11.246   0.083
  682   1HD   ARG  91           HD2      ARG  91   4.444  10.706   2.229
  683   2HD   ARG  91           HD1      ARG  91   4.097  12.389   2.624
  684    HE   ARG  91           HE       ARG  91   1.934  10.386   2.102
  685   1HH1  ARG  91          HH21      ARG  91   0.209  12.284   2.407
  686   2HH1  ARG  91          HH22      ARG  91   0.219  12.869   4.038
  687   1HH2  ARG  91          HH11      ARG  91   3.300  11.478   4.801
  688   2HH2  ARG  91          HH12      ARG  91   1.967  12.413   5.391
  689    H    ALA  92           HN       ALA  92   7.176  10.371  -2.165
  690    HA   ALA  92           HA       ALA  92   5.690  11.009  -4.565
  691   1HB   ALA  92           HB2      ALA  92   8.431  10.918  -3.762
  692   2HB   ALA  92           HB1      ALA  92   8.258   9.933  -5.215
  693   3HB   ALA  92           HB3      ALA  92   7.750  11.622  -5.229
  694    H    PHE  93           HN       PHE  93   7.307   8.053  -3.387
  695    HA   PHE  93           HA       PHE  93   6.426   6.485  -5.685
  696   1HB   PHE  93           HB2      PHE  93   8.474   5.858  -4.533
  697   2HB   PHE  93           HB1      PHE  93   7.597   5.678  -3.013
  698    HD1  PHE  93           HD1      PHE  93   5.664   3.956  -2.945
  699    HD2  PHE  93           HD2      PHE  93   8.661   4.051  -6.019
  700    HE1  PHE  93           HE1      PHE  93   5.124   1.611  -3.545
  701    HE2  PHE  93           HE2      PHE  93   8.123   1.707  -6.620
  702    HZ   PHE  93           HZ       PHE  93   6.353   0.487  -5.383
  703    H    ALA  94           HN       ALA  94   5.157   7.246  -2.531
  704    HA   ALA  94           HA       ALA  94   3.486   5.174  -1.878
  705   1HB   ALA  94           HB1      ALA  94   3.677   7.864  -1.182
  706   2HB   ALA  94           HB3      ALA  94   2.012   7.681  -1.736
  707   3HB   ALA  94           HB2      ALA  94   2.624   6.665  -0.430
  708    HA   PRO  95           HA       PRO  95   0.056   6.639  -4.894
  709   1HB   PRO  95           HB2      PRO  95   0.786   8.449  -6.836
  710   2HB   PRO  95           HB1      PRO  95   0.113   8.895  -5.258
  711   1HG   PRO  95           HG2      PRO  95   2.940   9.056  -6.212
  712   2HG   PRO  95           HG1      PRO  95   2.102  10.051  -5.008
  713   1HD   PRO  95           HD2      PRO  95   3.887   7.968  -4.427
  714   2HD   PRO  95           HD1      PRO  95   2.736   8.675  -3.280
  715    H    LYS  96           HN       LYS  96   2.578   4.888  -5.415
  716    HA   LYS  96           HA       LYS  96   1.899   4.313  -8.264
  717   1HB   LYS  96           HB2      LYS  96   4.367   5.206  -7.409
  718   2HB   LYS  96           HB1      LYS  96   4.577   3.454  -7.402
  719   1HG   LYS  96           HG2      LYS  96   4.965   3.670  -9.626
  720   2HG   LYS  96           HG1      LYS  96   3.218   3.874  -9.766
  721   1HD   LYS  96           HD2      LYS  96   4.231   5.740 -10.898
  722   2HD   LYS  96           HD1      LYS  96   3.577   6.353  -9.378
  723   1HE   LYS  96           HE2      LYS  96   6.078   5.602  -8.590
  724   2HE   LYS  96           HE1      LYS  96   6.390   6.098 -10.253
  725   1HZ   LYS  96           HZ1      LYS  96   4.785   7.781  -8.436
  726   2HZ   LYS  96           HZ3      LYS  96   6.478   7.868  -8.434
  727   3HZ   LYS  96           HZ2      LYS  96   5.611   8.231  -9.850
  728    H    LEU  97           HN       LEU  97   0.863   3.239  -5.689
  729    HA   LEU  97           HA       LEU  97   1.994   0.558  -5.406
  730   1HB   LEU  97           HB2      LEU  97  -0.038   2.201  -4.054
  731   2HB   LEU  97           HB1      LEU  97  -0.435   0.482  -4.121
  732    HG   LEU  97           HG       LEU  97   2.358   1.232  -3.377
  733   1HD1  LEU  97          HD13      LEU  97   0.443   2.597  -2.087
  734   2HD1  LEU  97          HD12      LEU  97   0.350   1.089  -1.178
  735   3HD1  LEU  97          HD11      LEU  97   1.870   1.979  -1.254
  736   1HD2  LEU  97          HD22      LEU  97   0.989  -1.119  -3.591
  737   2HD2  LEU  97          HD21      LEU  97   2.392  -0.895  -2.546
  738   3HD2  LEU  97          HD23      LEU  97   0.764  -0.763  -1.879
  739    H    VAL  98           HN       VAL  98  -1.475   1.299  -5.920
  740    HA   VAL  98           HA       VAL  98  -1.759  -1.146  -7.483
  741    HB   VAL  98           HB       VAL  98  -4.075  -0.722  -7.404
  742   1HG1  VAL  98          HG12      VAL  98  -2.893  -1.054  -5.191
  743   2HG1  VAL  98          HG11      VAL  98  -2.987   0.692  -4.965
  744   3HG1  VAL  98          HG13      VAL  98  -4.465  -0.263  -5.081
  745   1HG2  VAL  98          HG22      VAL  98  -3.196   2.064  -7.591
  746   2HG2  VAL  98          HG21      VAL  98  -4.740   1.349  -8.054
  747   3HG2  VAL  98          HG23      VAL  98  -4.465   1.847  -6.385
  748    H    THR  99           HN       THR  99  -0.071   1.086  -8.626
  749    HA   THR  99           HA       THR  99  -1.685   1.749 -11.023
  750    HB   THR  99           HB       THR  99  -0.157   3.495 -11.469
  751    HG1  THR  99           HG1      THR  99   1.667   2.412  -9.606
  752   1HG2  THR  99          HG23      THR  99  -1.432   3.895  -9.383
  753   2HG2  THR  99          HG22      THR  99  -0.109   3.186  -8.457
  754   3HG2  THR  99          HG21      THR  99   0.146   4.684  -9.352
  755    H    GLU 100           HN       GLU 100  -0.284   1.570 -13.179
  756    HA   GLU 100           HA       GLU 100   0.454  -1.156 -13.497
  757   1HB   GLU 100           HB2      GLU 100   0.014   0.948 -15.188
  758   2HB   GLU 100           HB1      GLU 100   1.754   0.712 -15.360
  759   1HG   GLU 100           HG2      GLU 100   1.200  -1.799 -15.605
  760   2HG   GLU 100           HG1      GLU 100  -0.462  -1.272 -15.870
  761    H    VAL 101           HN       VAL 101   2.285   1.026 -11.677
  762    HA   VAL 101           HA       VAL 101   4.851  -0.098 -12.648
  763    HB   VAL 101           HB       VAL 101   4.558   1.966 -10.477
  764   1HG1  VAL 101          HG12      VAL 101   6.666   1.231 -12.522
  765   2HG1  VAL 101          HG11      VAL 101   6.745   2.697 -11.544
  766   3HG1  VAL 101          HG13      VAL 101   6.784   1.114 -10.767
  767   1HG2  VAL 101          HG23      VAL 101   4.208   2.268 -13.452
  768   2HG2  VAL 101          HG22      VAL 101   3.292   3.019 -12.146
  769   3HG2  VAL 101          HG21      VAL 101   4.923   3.579 -12.514
  770    H    GLU 102           HN       GLU 102   2.544  -1.025 -10.439
  771    HA   GLU 102           HA       GLU 102   4.642  -2.393  -8.834
  772   1HB   GLU 102           HB2      GLU 102   2.627  -0.462  -7.842
  773   2HB   GLU 102           HB1      GLU 102   2.817  -1.931  -6.884
  774   1HG   GLU 102           HG2      GLU 102   5.411  -0.956  -7.659
  775   2HG   GLU 102           HG1      GLU 102   4.500   0.348  -6.896
  776    H    CYS 103           HN       CYS 103   1.252  -2.458  -7.913
  777    HA   CYS 103           HA       CYS 103   0.996  -5.165  -9.171
  778   1HB   CYS 103           HB2      CYS 103   0.262  -4.347  -6.341
  779   2HB   CYS 103           HB1      CYS 103  -0.119  -5.909  -7.070
  780    H    ASN 104           HN       ASN 104  -0.033  -2.651 -10.151
  781    HA   ASN 104           HA       ASN 104  -2.424  -1.624  -9.621
  782   1HB   ASN 104           HB2      ASN 104  -1.288  -1.210 -11.717
  783   2HB   ASN 104           HB1      ASN 104  -1.662  -2.832 -12.280
  784   1HD2  ASN 104          HD22      ASN 104  -4.276  -0.817 -13.839
  785   2HD2  ASN 104          HD21      ASN 104  -2.633  -1.186 -14.051
  786    H    LEU 105           HN       LEU 105  -2.477  -4.670 -11.535
  787    HA   LEU 105           HA       LEU 105  -4.297  -6.178 -11.755
  788   1HB   LEU 105           HB2      LEU 105  -4.020  -5.839  -8.754
  789   2HB   LEU 105           HB1      LEU 105  -5.004  -7.093  -9.509
  790    HG   LEU 105           HG       LEU 105  -2.168  -6.809 -10.411
  791   1HD1  LEU 105          HD13      LEU 105  -3.084  -7.728  -7.704
  792   2HD1  LEU 105          HD12      LEU 105  -1.745  -8.572  -8.482
  793   3HD1  LEU 105          HD11      LEU 105  -1.623  -6.844  -8.146
  794   1HD2  LEU 105          HD21      LEU 105  -4.215  -8.501 -11.033
  795   2HD2  LEU 105          HD23      LEU 105  -2.512  -8.934 -11.186
  796   3HD2  LEU 105          HD22      LEU 105  -3.417  -9.415  -9.752
  797    H    ALA 106           HN       ALA 106  -5.098  -3.342 -11.895
  798    HA   ALA 106           HA       ALA 106  -7.037  -2.026 -11.816
  799   1HB   ALA 106           HB2      ALA 106  -8.007  -4.866 -11.902
  800   2HB   ALA 106           HB1      ALA 106  -9.183  -3.591 -11.587
  801   3HB   ALA 106           HB3      ALA 106  -8.238  -3.570 -13.075
  802    H    THR 107           HN       THR 107  -8.905  -1.413 -10.305
  803    HA   THR 107           HA       THR 107  -8.409  -2.415  -7.529
  804    HB   THR 107           HB       THR 107  -8.170  -0.249  -6.674
  805    HG1  THR 107           HG1      THR 107  -9.447   1.265  -7.369
  806   1HG2  THR 107          HG23      THR 107  -6.293  -0.704  -8.260
  807   2HG2  THR 107          HG22      THR 107  -7.208   0.109  -9.529
  808   3HG2  THR 107          HG21      THR 107  -6.660   1.015  -8.119
  809    H    ILE 108           HN       ILE 108 -10.357  -0.297  -6.623
  810    HA   ILE 108           HA       ILE 108 -12.793  -1.798  -6.864
  811    HB   ILE 108           HB       ILE 108 -12.293  -0.385  -4.914
  812   1HG1  ILE 108          HG12      ILE 108 -14.552   1.165  -5.982
  813   2HG1  ILE 108          HG11      ILE 108 -14.722  -0.573  -6.229
  814   1HG2  ILE 108          HG23      ILE 108 -11.093   1.361  -6.368
  815   2HG2  ILE 108          HG22      ILE 108 -12.692   2.002  -6.734
  816   3HG2  ILE 108          HG21      ILE 108 -12.106   1.995  -5.072
  817   1HD1  ILE 108          HD11      ILE 108 -13.734   0.175  -3.555
  818   2HD1  ILE 108          HD13      ILE 108 -15.370   0.731  -3.903
  819   3HD1  ILE 108          HD12      ILE 108 -14.982  -0.985  -4.009
  820    H    HIS 109           HN       HIS 109 -11.565   1.146  -8.434
  821    HA   HIS 109           HA       HIS 109 -14.062   1.501  -9.952
  822   1HB   HIS 109           HB2      HIS 109 -12.405   3.233 -11.152
  823   2HB   HIS 109           HB1      HIS 109 -13.263   3.598  -9.660
  824    HD1  HIS 109           HD1      HIS 109  -9.963   1.882 -10.562
  825    HD2  HIS 109           HD2      HIS 109 -11.511   4.514  -7.726
  826    HE1  HIS 109           HE1      HIS 109  -8.048   2.576  -9.074
  827    H    GLY 110           HN       GLY 110 -12.298  -0.977 -10.288
  828   1HA   GLY 110           HA2      GLY 110 -11.394  -2.247 -12.052
  829   2HA   GLY 110           HA1      GLY 110 -12.780  -1.594 -12.925
  830    H    GLY 111           HN       GLY 111  -9.688  -0.203 -11.760
  831   1HA   GLY 111           HA2      GLY 111  -8.581   0.163 -14.355
  832   2HA   GLY 111           HA1      GLY 111  -9.448   1.634 -13.912
  833    HA   PRO 112           HA       PRO 112  -5.193   1.373 -11.841
  834   1HB   PRO 112           HB2      PRO 112  -3.718   2.751 -13.721
  835   2HB   PRO 112           HB1      PRO 112  -3.837   0.985 -13.674
  836   1HG   PRO 112           HG2      PRO 112  -5.128   2.912 -15.545
  837   2HG   PRO 112           HG1      PRO 112  -4.704   1.211 -15.803
  838   1HD   PRO 112           HD2      PRO 112  -7.292   2.198 -15.254
  839   2HD   PRO 112           HD1      PRO 112  -6.785   0.498 -15.163
  840    H    PHE 113           HN       PHE 113  -6.656   2.935 -10.602
  841    HA   PHE 113           HA       PHE 113  -5.496   5.520 -10.407
  842   1HB   PHE 113           HB2      PHE 113  -7.222   6.961 -11.455
  843   2HB   PHE 113           HB1      PHE 113  -6.339   6.000 -12.624
  844    HD1  PHE 113           HD1      PHE 113  -8.382   3.623 -11.091
  845    HD2  PHE 113           HD2      PHE 113  -8.673   7.028 -13.699
  846    HE1  PHE 113           HE1      PHE 113 -10.516   2.762 -11.999
  847    HE2  PHE 113           HE2      PHE 113 -10.809   6.158 -14.590
  848    HZ   PHE 113           HZ       PHE 113 -11.732   4.021 -13.738
  849    H    CYS 114           HN       CYS 114  -5.927   5.303  -8.093
  850    HA   CYS 114           HA       CYS 114  -8.817   5.671  -7.433
  851   1HB   CYS 114           HB2      CYS 114  -8.618   4.373  -5.438
  852   2HB   CYS 114           HB1      CYS 114  -7.928   3.397  -6.727
  853    H    LEU 115           HN       LEU 115  -8.988   6.608  -5.107
  854    HA   LEU 115           HA       LEU 115  -8.323   8.247  -3.515
  855   1HB   LEU 115           HB2      LEU 115  -5.868   7.517  -4.479
  856   2HB   LEU 115           HB1      LEU 115  -5.958   9.196  -5.013
  857    HG   LEU 115           HG       LEU 115  -4.992   9.243  -2.822
  858   1HD1  LEU 115          HD11      LEU 115  -7.075  10.745  -3.411
  859   2HD1  LEU 115          HD13      LEU 115  -7.875   9.776  -2.173
  860   3HD1  LEU 115          HD12      LEU 115  -6.447  10.727  -1.763
  861   1HD2  LEU 115          HD22      LEU 115  -7.171   7.255  -2.212
  862   2HD2  LEU 115          HD21      LEU 115  -5.442   7.140  -1.884
  863   3HD2  LEU 115          HD23      LEU 115  -6.454   8.209  -0.913
  864    H    SER 116           HN       SER 116  -7.664   8.991  -6.947
  865    HA   SER 116           HA       SER 116  -8.469  11.767  -6.678
  866   1HB   SER 116           HB2      SER 116  -8.347  10.072  -9.190
  867   2HB   SER 116           HB1      SER 116  -8.348  11.831  -9.111
  868    HG   SER 116           HG       SER 116  -6.358  11.745  -8.079
  869    H    LEU 117           HN       LEU 117 -10.087   8.739  -7.431
  870    HA   LEU 117           HA       LEU 117 -12.498   9.777  -8.525
  871   1HB   LEU 117           HB2      LEU 117 -11.864   7.282  -6.942
  872   2HB   LEU 117           HB1      LEU 117 -13.500   7.627  -7.506
  873    HG   LEU 117           HG       LEU 117 -12.266   8.041  -9.814
  874   1HD1  LEU 117          HD11      LEU 117 -10.392   6.222  -8.275
  875   2HD1  LEU 117          HD13      LEU 117 -10.392   6.360 -10.033
  876   3HD1  LEU 117          HD12      LEU 117  -9.994   7.762  -9.039
  877   1HD2  LEU 117          HD22      LEU 117 -13.290   5.597  -8.482
  878   2HD2  LEU 117          HD21      LEU 117 -13.786   6.342 -10.002
  879   3HD2  LEU 117          HD23      LEU 117 -12.346   5.325  -9.947
  880    H    LEU 118           HN       LEU 118 -11.198  10.019  -5.371
  881    HA   LEU 118           HA       LEU 118 -11.999  11.094  -3.467
  882   1HB   LEU 118           HB2      LEU 118 -14.073  11.910  -5.474
  883   2HB   LEU 118           HB1      LEU 118 -14.339  12.226  -3.765
  884    HG   LEU 118           HG       LEU 118 -11.826  13.016  -5.262
  885   1HD1  LEU 118          HD13      LEU 118 -14.283  14.115  -5.706
  886   2HD1  LEU 118          HD12      LEU 118 -13.725  15.094  -4.348
  887   3HD1  LEU 118          HD11      LEU 118 -12.770  15.014  -5.829
  888   1HD2  LEU 118          HD22      LEU 118 -12.897  13.415  -2.480
  889   2HD2  LEU 118          HD21      LEU 118 -11.272  12.959  -2.990
  890   3HD2  LEU 118          HD23      LEU 118 -11.821  14.625  -3.180
  891    H    GLY 119           HN       GLY 119 -13.816   8.529  -4.908
  892   1HA   GLY 119           HA2      GLY 119 -14.970   6.803  -3.802
  893   2HA   GLY 119           HA1      GLY 119 -14.629   7.618  -2.276
  894    H    ALA 120           HN       ALA 120 -16.779   7.420  -1.507
  895    HA   ALA 120           HA       ALA 120 -18.877   8.836  -3.087
  896   1HB   ALA 120           HB3      ALA 120 -19.325   6.483  -2.337
  897   2HB   ALA 120           HB2      ALA 120 -19.216   7.044  -0.668
  898   3HB   ALA 120           HB1      ALA 120 -20.494   7.653  -1.720
  899    H    GLY 121           HN       GLY 121 -17.670  10.854  -2.299
  900   1HA   GLY 121           HA2      GLY 121 -17.739  11.582   0.483
  901   2HA   GLY 121           HA1      GLY 121 -17.544  12.707  -0.862
  902    H    GLU 122           HN       GLU 122 -20.208  11.278  -1.832
  903    HA   GLU 122           HA       GLU 122 -21.951  13.250  -0.445
  904   1HB   GLU 122           HB2      GLU 122 -21.826  13.160  -2.980
  905   2HB   GLU 122           HB1      GLU 122 -22.609  11.582  -2.886
  906   1HG   GLU 122           HG2      GLU 122 -24.632  12.471  -2.288
  907   2HG   GLU 122           HG1      GLU 122 -23.898  13.771  -1.349
   
  No H/Q in entry =         907
  Start of MODEL          15
 Raw file had  930 H/Q atoms
  Start of MODEL   15
    1   1H    SER   1           HT2      SER   1 -21.098  -6.205  12.222
    2   2H    SER   1           HT1      SER   1 -19.807  -7.055  11.514
    3   3H    SER   1           HT3      SER   1 -19.495  -5.758  12.563
    4    HA   SER   1           HA       SER   1 -20.461  -4.202  11.010
    5   1HB   SER   1           HB2      SER   1 -18.722  -4.293   9.347
    6   2HB   SER   1           HB1      SER   1 -18.034  -4.907  10.848
    7    HG   SER   1           HG       SER   1 -18.200  -6.118   8.505
    8    H    VAL   2           HN       VAL   2 -22.120  -3.963   9.606
    9    HA   VAL   2           HA       VAL   2 -23.849  -5.874   8.675
   10    HB   VAL   2           HB       VAL   2 -24.229  -4.330   6.663
   11   1HG1  VAL   2          HG11      VAL   2 -24.930  -4.113   9.321
   12   2HG1  VAL   2          HG13      VAL   2 -24.223  -2.531   8.991
   13   3HG1  VAL   2          HG12      VAL   2 -25.578  -3.111   8.022
   14   1HG2  VAL   2          HG23      VAL   2 -21.975  -2.878   8.082
   15   2HG2  VAL   2          HG22      VAL   2 -21.993  -3.438   6.410
   16   3HG2  VAL   2          HG21      VAL   2 -23.041  -2.110   6.906
   17    H    GLY   3           HN       GLY   3 -20.870  -4.868   6.959
   18   1HA   GLY   3           HA2      GLY   3 -19.842  -7.150   6.032
   19   2HA   GLY   3           HA1      GLY   3 -21.283  -7.069   5.017
   20    H    THR   4           HN       THR   4 -21.448  -5.369   3.459
   21    HA   THR   4           HA       THR   4 -20.442  -4.168   1.691
   22    HB   THR   4           HB       THR   4 -20.900  -2.421   3.368
   23    HG1  THR   4           HG1      THR   4 -19.960  -1.307   1.872
   24   1HG2  THR   4          HG23      THR   4 -18.138  -3.162   4.359
   25   2HG2  THR   4          HG22      THR   4 -18.984  -1.688   4.831
   26   3HG2  THR   4          HG21      THR   4 -19.654  -3.263   5.255
   27    H    SER   5           HN       SER   5 -18.877  -6.504   2.677
   28    HA   SER   5           HA       SER   5 -16.710  -7.395   2.477
   29   1HB   SER   5           HB2      SER   5 -17.154  -5.536   0.230
   30   2HB   SER   5           HB1      SER   5 -15.459  -5.891   0.556
   31    HG   SER   5           HG       SER   5 -16.395  -7.421  -0.858
   32    H    CYS   6           HN       CYS   6 -14.239  -6.473   2.174
   33    HA   CYS   6           HA       CYS   6 -12.507  -5.349   3.285
   34   1HB   CYS   6           HB2      CYS   6 -14.544  -3.118   3.549
   35   2HB   CYS   6           HB1      CYS   6 -12.788  -2.964   3.621
   36    H    ILE   7           HN       ILE   7 -12.268  -6.527   5.169
   37    HA   ILE   7           HA       ILE   7 -13.610  -5.410   7.576
   38    HB   ILE   7           HB       ILE   7 -14.863  -7.436   6.935
   39   1HG1  ILE   7          HG12      ILE   7 -13.041  -7.742   9.341
   40   2HG1  ILE   7          HG11      ILE   7 -14.661  -7.044   9.313
   41   1HG2  ILE   7          HG23      ILE   7 -12.147  -8.774   7.118
   42   2HG2  ILE   7          HG22      ILE   7 -13.681  -9.625   6.932
   43   3HG2  ILE   7          HG21      ILE   7 -13.106  -8.555   5.654
   44   1HD1  ILE   7          HD11      ILE   7 -14.713  -9.696   8.165
   45   2HD1  ILE   7          HD13      ILE   7 -13.979  -9.747   9.767
   46   3HD1  ILE   7          HD12      ILE   7 -15.597  -9.076   9.561
   47    HA   PRO   8           HA       PRO   8  -9.423  -5.596   8.948
   48   1HB   PRO   8           HB2      PRO   8  -9.849  -5.193  11.637
   49   2HB   PRO   8           HB1      PRO   8  -9.922  -3.909  10.419
   50   1HG   PRO   8           HG2      PRO   8 -12.158  -5.269  11.849
   51   2HG   PRO   8           HG1      PRO   8 -12.094  -3.641  11.156
   52   1HD   PRO   8           HD2      PRO   8 -13.355  -5.882   9.996
   53   2HD   PRO   8           HD1      PRO   8 -12.984  -4.354   9.171
   54    H    GLY   9           HN       GLY   9  -7.997  -7.240   9.717
   55   1HA   GLY   9           HA2      GLY   9  -7.320  -9.168  10.895
   56   2HA   GLY   9           HA1      GLY   9  -8.924  -9.271  11.608
   57    H    MET  10           HN       MET  10  -9.851  -8.960   8.608
   58    HA   MET  10           HA       MET  10  -9.295 -11.766   7.774
   59   1HB   MET  10           HB2      MET  10 -11.985 -10.402   8.015
   60   2HB   MET  10           HB1      MET  10 -11.739 -11.852   7.039
   61   1HG   MET  10           HG2      MET  10 -10.505 -12.494   9.440
   62   2HG   MET  10           HG1      MET  10 -11.928 -11.582   9.949
   63   1HE   MET  10           HE1      MET  10 -11.682 -14.339  10.915
   64   2HE   MET  10           HE3      MET  10 -12.253 -15.694   9.931
   65   3HE   MET  10           HE2      MET  10 -10.704 -14.935   9.577
   66    H    ALA  11           HN       ALA  11  -8.336 -11.524   5.656
   67    HA   ALA  11           HA       ALA  11  -8.305 -10.864   3.381
   68   1HB   ALA  11           HB2      ALA  11 -10.848 -10.090   4.017
   69   2HB   ALA  11           HB1      ALA  11 -10.090  -8.524   3.723
   70   3HB   ALA  11           HB3      ALA  11 -10.083  -9.759   2.464
   71    H    ILE  12           HN       ILE  12  -8.840  -8.067   5.541
   72    HA   ILE  12           HA       ILE  12  -6.288  -6.912   4.542
   73    HB   ILE  12           HB       ILE  12  -8.360  -5.446   6.176
   74   1HG1  ILE  12          HG12      ILE  12  -9.438  -6.481   4.158
   75   2HG1  ILE  12          HG11      ILE  12  -9.429  -4.718   4.115
   76   1HG2  ILE  12          HG23      ILE  12  -6.123  -4.426   5.869
   77   2HG2  ILE  12          HG22      ILE  12  -6.319  -4.544   4.120
   78   3HG2  ILE  12          HG21      ILE  12  -7.378  -3.490   5.058
   79   1HD1  ILE  12          HD13      ILE  12  -7.332  -6.445   2.772
   80   2HD1  ILE  12          HD12      ILE  12  -8.744  -5.793   1.942
   81   3HD1  ILE  12          HD11      ILE  12  -7.532  -4.700   2.612
   82    HA   PRO  13           HA       PRO  13  -5.349  -8.376   8.732
   83   1HB   PRO  13           HB2      PRO  13  -2.665  -8.759   8.335
   84   2HB   PRO  13           HB1      PRO  13  -3.910  -9.943   7.908
   85   1HG   PRO  13           HG2      PRO  13  -2.284  -8.233   6.118
   86   2HG   PRO  13           HG1      PRO  13  -3.172  -9.718   5.742
   87   1HD   PRO  13           HD2      PRO  13  -3.962  -7.015   5.198
   88   2HD   PRO  13           HD1      PRO  13  -4.908  -8.494   4.877
   89    H    HIS  14           HN       HIS  14  -3.565  -7.704  10.359
   90    HA   HIS  14           HA       HIS  14  -3.577  -4.823  10.553
   91   1HB   HIS  14           HB2      HIS  14  -2.242  -6.984  12.226
   92   2HB   HIS  14           HB1      HIS  14  -2.428  -5.307  12.699
   93    HD1  HIS  14           HD1      HIS  14  -4.598  -4.654  13.800
   94    HD2  HIS  14           HD2      HIS  14  -4.857  -8.320  11.837
   95    HE1  HIS  14           HE1      HIS  14  -6.884  -5.604  14.345
   96    H    ASN  15           HN       ASN  15  -1.671  -3.434  10.454
   97    HA   ASN  15           HA       ASN  15   0.408  -2.762   9.621
   98   1HB   ASN  15           HB2      ASN  15   0.883  -4.867  11.333
   99   2HB   ASN  15           HB1      ASN  15   1.668  -5.411   9.849
  100   1HD2  ASN  15          HD22      ASN  15   3.481  -2.026   9.974
  101   2HD2  ASN  15          HD21      ASN  15   2.179  -2.534   9.011
  102    HA   PRO  16           HA       PRO  16  -0.451  -5.153   5.688
  103   1HB   PRO  16           HB2      PRO  16  -1.922  -3.218   4.417
  104   2HB   PRO  16           HB1      PRO  16  -2.643  -4.486   5.423
  105   1HG   PRO  16           HG2      PRO  16  -2.249  -1.594   6.043
  106   2HG   PRO  16           HG1      PRO  16  -3.469  -2.720   6.664
  107   1HD   PRO  16           HD2      PRO  16  -1.143  -1.880   8.044
  108   2HD   PRO  16           HD1      PRO  16  -2.191  -3.248   8.478
  109    H    LEU  17           HN       LEU  17   0.223  -4.413   3.454
  110    HA   LEU  17           HA       LEU  17   1.856  -3.466   2.069
  111   1HB   LEU  17           HB2      LEU  17   0.729  -1.126   3.589
  112   2HB   LEU  17           HB1      LEU  17   2.026  -0.894   2.416
  113    HG   LEU  17           HG       LEU  17  -0.353  -0.648   1.511
  114   1HD1  LEU  17          HD11      LEU  17   1.842  -1.280   0.236
  115   2HD1  LEU  17          HD13      LEU  17   1.113  -2.883   0.131
  116   3HD1  LEU  17          HD12      LEU  17   0.291  -1.493  -0.579
  117   1HD2  LEU  17          HD22      LEU  17  -1.278  -2.590   2.772
  118   2HD2  LEU  17          HD21      LEU  17  -1.558  -2.728   1.037
  119   3HD2  LEU  17          HD23      LEU  17  -0.277  -3.670   1.802
  120    H    ASP  18           HN       ASP  18   3.026  -4.731   4.307
  121    HA   ASP  18           HA       ASP  18   4.975  -2.852   5.452
  122   1HB   ASP  18           HB2      ASP  18   5.886  -4.816   6.616
  123   2HB   ASP  18           HB1      ASP  18   4.132  -4.747   6.806
  124    H    SER  19           HN       SER  19   5.056  -5.616   3.225
  125    HA   SER  19           HA       SER  19   7.846  -5.466   2.628
  126   1HB   SER  19           HB2      SER  19   5.806  -7.149   1.894
  127   2HB   SER  19           HB1      SER  19   6.076  -6.259   0.399
  128    HG   SER  19           HG       SER  19   7.855  -7.335   0.158
  129    H    CYS  20           HN       CYS  20   5.094  -3.621   1.605
  130    HA   CYS  20           HA       CYS  20   6.281  -2.452  -0.745
  131   1HB   CYS  20           HB2      CYS  20   4.034  -1.478   1.032
  132   2HB   CYS  20           HB1      CYS  20   4.437  -0.809  -0.550
  133    H    ARG  21           HN       ARG  21   5.835  -1.251   2.602
  134    HA   ARG  21           HA       ARG  21   7.165   1.214   2.209
  135   1HB   ARG  21           HB2      ARG  21   7.048   1.502   4.503
  136   2HB   ARG  21           HB1      ARG  21   5.805   0.278   4.265
  137   1HG   ARG  21           HG2      ARG  21   7.367  -1.487   4.897
  138   2HG   ARG  21           HG1      ARG  21   8.678  -0.314   5.031
  139   1HD   ARG  21           HD2      ARG  21   7.004   0.888   6.689
  140   2HD   ARG  21           HD1      ARG  21   6.321  -0.730   6.830
  141    HE   ARG  21           HE       ARG  21   9.243  -0.362   7.262
  142   1HH1  ARG  21          HH21      ARG  21   8.372  -2.987   7.931
  143   2HH1  ARG  21          HH22      ARG  21   7.903  -2.894   9.595
  144   1HH2  ARG  21          HH11      ARG  21   7.645   0.564   9.605
  145   2HH2  ARG  21          HH12      ARG  21   7.491  -0.884  10.543
  146    H    TRP  22           HN       TRP  22   8.514  -1.872   3.478
  147    HA   TRP  22           HA       TRP  22  11.188  -0.893   3.624
  148   1HB   TRP  22           HB2      TRP  22  10.106  -3.687   3.413
  149   2HB   TRP  22           HB1      TRP  22  11.832  -3.375   3.300
  150    HD1  TRP  22           HD1      TRP  22   9.469  -4.221   5.817
  151    HE1  TRP  22           HE1      TRP  22  10.227  -3.417   8.161
  152    HE3  TRP  22           HE3      TRP  22  13.036  -1.032   4.396
  153    HZ2  TRP  22           HZ2      TRP  22  12.178  -1.582   9.257
  154    HZ3  TRP  22           HZ3      TRP  22  14.378   0.273   6.056
  155    HH2  TRP  22           HH2      TRP  22  13.946  -0.009   8.488
  156    H    TYR  23           HN       TYR  23   9.307  -2.251   0.978
  157    HA   TYR  23           HA       TYR  23  11.442  -2.631  -0.864
  158   1HB   TYR  23           HB2      TYR  23   9.143  -3.466  -1.255
  159   2HB   TYR  23           HB1      TYR  23   8.587  -1.808  -1.482
  160    HD1  TYR  23           HD2      TYR  23  11.901  -3.035  -2.595
  161    HD2  TYR  23           HD1      TYR  23   7.888  -2.066  -3.791
  162    HE1  TYR  23           HE2      TYR  23  12.587  -3.131  -4.972
  163    HE2  TYR  23           HE1      TYR  23   8.577  -2.165  -6.171
  164    HH   TYR  23           HH       TYR  23  11.896  -3.074  -7.084
  165    H    VAL  24           HN       VAL  24   9.722   0.271   0.180
  166    HA   VAL  24           HA       VAL  24  10.808   1.943  -1.944
  167    HB   VAL  24           HB       VAL  24   9.884   2.800   0.807
  168   1HG1  VAL  24          HG13      VAL  24  11.261   4.439  -0.426
  169   2HG1  VAL  24          HG12      VAL  24  10.166   4.317  -1.802
  170   3HG1  VAL  24          HG11      VAL  24   9.592   4.987  -0.274
  171   1HG2  VAL  24          HG22      VAL  24   8.316   1.511  -1.003
  172   2HG2  VAL  24          HG21      VAL  24   7.707   2.766   0.075
  173   3HG2  VAL  24          HG23      VAL  24   8.157   3.169  -1.582
  174    H    SER  25           HN       SER  25  11.697   1.169   1.404
  175    HA   SER  25           HA       SER  25  13.877   2.933   1.680
  176   1HB   SER  25           HB2      SER  25  14.683   1.489   3.414
  177   2HB   SER  25           HB1      SER  25  12.924   1.426   3.466
  178    HG   SER  25           HG       SER  25  14.621  -0.572   3.151
  179    H    THR  26           HN       THR  26  13.817  -0.343   0.252
  180    HA   THR  26           HA       THR  26  16.672  -0.321  -0.322
  181    HB   THR  26           HB       THR  26  14.399  -2.155  -1.075
  182    HG1  THR  26           HG1      THR  26  16.728  -2.924   0.233
  183   1HG2  THR  26          HG22      THR  26  17.266  -2.177  -2.022
  184   2HG2  THR  26          HG21      THR  26  16.305  -3.653  -1.941
  185   3HG2  THR  26          HG23      THR  26  15.797  -2.326  -2.985
  186    H    ARG  27           HN       ARG  27  13.800  -0.180  -2.477
  187    HA   ARG  27           HA       ARG  27  15.267   0.167  -4.881
  188   1HB   ARG  27           HB2      ARG  27  12.491   0.404  -4.033
  189   2HB   ARG  27           HB1      ARG  27  12.909   1.606  -5.253
  190   1HG   ARG  27           HG2      ARG  27  13.340  -1.385  -5.471
  191   2HG   ARG  27           HG1      ARG  27  12.131  -0.439  -6.342
  192   1HD   ARG  27           HD2      ARG  27  14.477   0.915  -6.898
  193   2HD   ARG  27           HD1      ARG  27  14.992  -0.771  -6.899
  194    HE   ARG  27           HE       ARG  27  13.451  -1.197  -8.722
  195   1HH1  ARG  27          HH11      ARG  27  12.363   1.663  -7.372
  196   2HH1  ARG  27          HH12      ARG  27  12.122   2.493  -8.874
  197   1HH2  ARG  27          HH21      ARG  27  13.659   0.041 -10.782
  198   2HH2  ARG  27          HH22      ARG  27  12.857   1.575 -10.804
  199    H    THR  28           HN       THR  28  14.472   2.473  -2.375
  200    HA   THR  28           HA       THR  28  15.248   4.722  -4.139
  201    HB   THR  28           HB       THR  28  14.327   6.159  -2.451
  202    HG1  THR  28           HG1      THR  28  13.527   4.934  -0.488
  203   1HG2  THR  28          HG23      THR  28  12.748   3.612  -2.819
  204   2HG2  THR  28          HG22      THR  28  12.079   5.039  -2.029
  205   3HG2  THR  28          HG21      THR  28  12.591   5.122  -3.715
  206    H    CYS  29           HN       CYS  29  16.122   3.728  -0.798
  207    HA   CYS  29           HA       CYS  29  18.732   5.081  -1.175
  208   1HB   CYS  29           HB2      CYS  29  17.805   3.825   1.394
  209   2HB   CYS  29           HB1      CYS  29  18.887   5.198   1.160
  210    H    GLY  30           HN       GLY  30  17.770   2.236  -2.077
  211   1HA   GLY  30           HA2      GLY  30  18.740   0.082  -2.202
  212   2HA   GLY  30           HA1      GLY  30  20.271   0.933  -1.989
  213    H    VAL  31           HN       VAL  31  17.893   1.313   0.501
  214    HA   VAL  31           HA       VAL  31  19.548  -0.430   2.282
  215    HB   VAL  31           HB       VAL  31  17.865   2.024   2.831
  216   1HG1  VAL  31          HG11      VAL  31  19.109   0.079   4.799
  217   2HG1  VAL  31          HG13      VAL  31  18.480   1.669   5.230
  218   3HG1  VAL  31          HG12      VAL  31  17.390   0.428   4.613
  219   1HG2  VAL  31          HG21      VAL  31  20.273   2.194   2.025
  220   2HG2  VAL  31          HG23      VAL  31  19.943   2.973   3.572
  221   3HG2  VAL  31          HG22      VAL  31  20.745   1.403   3.529
  222    H    GLY  32           HN       GLY  32  18.251  -1.504   4.084
  223   1HA   GLY  32           HA2      GLY  32  15.789  -2.029   4.671
  224   2HA   GLY  32           HA1      GLY  32  15.672  -2.425   2.952
  225    HA   PRO  33           HA       PRO  33  17.261  -6.148   5.438
  226   1HB   PRO  33           HB2      PRO  33  15.218  -7.910   4.790
  227   2HB   PRO  33           HB1      PRO  33  15.272  -6.947   6.275
  228   1HG   PRO  33           HG2      PRO  33  13.681  -6.484   3.777
  229   2HG   PRO  33           HG1      PRO  33  13.253  -6.144   5.463
  230   1HD   PRO  33           HD2      PRO  33  14.069  -4.211   3.695
  231   2HD   PRO  33           HD1      PRO  33  14.284  -4.090   5.457
  232    H    ARG  34           HN       ARG  34  17.674  -8.439   4.270
  233    HA   ARG  34           HA       ARG  34  18.567  -7.726   1.553
  234   1HB   ARG  34           HB2      ARG  34  19.042 -10.257   3.156
  235   2HB   ARG  34           HB1      ARG  34  19.873  -9.789   1.672
  236   1HG   ARG  34           HG2      ARG  34  20.403  -7.587   3.049
  237   2HG   ARG  34           HG1      ARG  34  20.142  -8.653   4.430
  238   1HD   ARG  34           HD2      ARG  34  21.928 -10.057   3.848
  239   2HD   ARG  34           HD1      ARG  34  21.925  -9.521   2.168
  240    HE   ARG  34           HE       ARG  34  22.567  -7.244   3.650
  241   1HH1  ARG  34          HH11      ARG  34  24.081  -8.455   5.638
  242   2HH1  ARG  34          HH12      ARG  34  25.587  -8.901   4.906
  243   1HH2  ARG  34          HH21      ARG  34  24.384  -8.670   1.661
  244   2HH2  ARG  34          HH22      ARG  34  25.758  -9.022   2.655
  245    H    LEU  35           HN       LEU  35  16.365  -7.711   0.681
  246    HA   LEU  35           HA       LEU  35  15.470 -10.467  -0.057
  247   1HB   LEU  35           HB2      LEU  35  13.813  -8.044   0.688
  248   2HB   LEU  35           HB1      LEU  35  13.143  -9.390  -0.233
  249    HG   LEU  35           HG       LEU  35  14.561  -9.784   2.410
  250   1HD1  LEU  35          HD11      LEU  35  12.223  -8.355   2.125
  251   2HD1  LEU  35          HD13      LEU  35  11.624  -9.996   2.367
  252   3HD1  LEU  35          HD12      LEU  35  12.681  -9.256   3.570
  253   1HD2  LEU  35          HD21      LEU  35  12.902 -11.448   0.533
  254   2HD2  LEU  35          HD23      LEU  35  14.410 -11.862   1.349
  255   3HD2  LEU  35          HD22      LEU  35  12.898 -11.827   2.256
  256    H    ALA  36           HN       ALA  36  15.935 -10.675  -2.211
  257    HA   ALA  36           HA       ALA  36  16.770  -8.767  -3.997
  258   1HB   ALA  36           HB1      ALA  36  15.066 -11.214  -4.464
  259   2HB   ALA  36           HB3      ALA  36  15.594 -10.197  -5.806
  260   3HB   ALA  36           HB2      ALA  36  16.788 -10.996  -4.783
  261    H    THR  37           HN       THR  37  15.612  -7.589  -5.774
  262    HA   THR  37           HA       THR  37  13.411  -6.068  -4.724
  263    HB   THR  37           HB       THR  37  13.333  -5.407  -7.316
  264    HG1  THR  37           HG1      THR  37  14.953  -6.167  -8.408
  265   1HG2  THR  37          HG22      THR  37  14.347  -4.294  -5.070
  266   2HG2  THR  37          HG21      THR  37  15.837  -4.542  -5.979
  267   3HG2  THR  37          HG23      THR  37  14.535  -3.571  -6.668
  268    H    GLN  38           HN       GLN  38  13.484  -8.226  -7.595
  269    HA   GLN  38           HA       GLN  38  10.752  -8.243  -8.140
  270   1HB   GLN  38           HB2      GLN  38  12.983 -10.142  -8.576
  271   2HB   GLN  38           HB1      GLN  38  11.367 -10.844  -8.662
  272   1HG   GLN  38           HG2      GLN  38  11.203  -8.402 -10.057
  273   2HG   GLN  38           HG1      GLN  38  12.714  -9.147 -10.581
  274   1HE2  GLN  38          HE22      GLN  38   9.655 -10.468 -12.494
  275   2HE2  GLN  38          HE21      GLN  38  10.063  -8.881 -12.052
  276    H    GLU  39           HN       GLU  39  12.435  -9.924  -5.554
  277    HA   GLU  39           HA       GLU  39  10.239 -11.637  -4.804
  278   1HB   GLU  39           HB2      GLU  39  12.583 -10.570  -3.198
  279   2HB   GLU  39           HB1      GLU  39  11.470 -11.815  -2.628
  280   1HG   GLU  39           HG2      GLU  39  13.034 -12.061  -5.210
  281   2HG   GLU  39           HG1      GLU  39  13.618 -12.688  -3.666
  282    H    MET  40           HN       MET  40  11.392  -8.480  -3.622
  283    HA   MET  40           HA       MET  40   9.396  -8.078  -1.634
  284   1HB   MET  40           HB2      MET  40  11.545  -6.695  -2.261
  285   2HB   MET  40           HB1      MET  40  10.445  -5.820  -3.320
  286   1HG   MET  40           HG2      MET  40  10.531  -4.684  -1.172
  287   2HG   MET  40           HG1      MET  40   8.941  -5.420  -1.370
  288   1HE   MET  40           HE2      MET  40  11.996  -4.932   0.141
  289   2HE   MET  40           HE1      MET  40  11.712  -5.424   1.808
  290   3HE   MET  40           HE3      MET  40  12.603  -6.485   0.708
  291    H    LYS  41           HN       LYS  41   9.544  -6.686  -4.918
  292    HA   LYS  41           HA       LYS  41   6.982  -5.602  -5.066
  293   1HB   LYS  41           HB2      LYS  41   8.601  -5.335  -6.879
  294   2HB   LYS  41           HB1      LYS  41   8.503  -7.058  -7.247
  295   1HG   LYS  41           HG2      LYS  41   6.978  -6.287  -8.790
  296   2HG   LYS  41           HG1      LYS  41   5.893  -6.475  -7.412
  297   1HD   LYS  41           HD2      LYS  41   5.406  -4.295  -8.067
  298   2HD   LYS  41           HD1      LYS  41   6.657  -4.014  -6.854
  299   1HE   LYS  41           HE2      LYS  41   8.303  -4.222  -8.879
  300   2HE   LYS  41           HE1      LYS  41   6.870  -3.886  -9.851
  301   1HZ   LYS  41           HZ2      LYS  41   6.645  -2.021  -7.969
  302   2HZ   LYS  41           HZ1      LYS  41   8.338  -2.147  -8.051
  303   3HZ   LYS  41           HZ3      LYS  41   7.448  -1.767  -9.445
  304    H    ALA  42           HN       ALA  42   7.957  -8.978  -5.407
  305    HA   ALA  42           HA       ALA  42   5.430  -9.978  -6.321
  306   1HB   ALA  42           HB2      ALA  42   7.895 -11.132  -5.112
  307   2HB   ALA  42           HB1      ALA  42   6.428 -12.104  -5.000
  308   3HB   ALA  42           HB3      ALA  42   7.036 -11.604  -6.578
  309    H    ARG  43           HN       ARG  43   6.811  -9.580  -3.062
  310    HA   ARG  43           HA       ARG  43   4.628 -10.753  -1.644
  311   1HB   ARG  43           HB2      ARG  43   6.949  -9.051  -0.991
  312   2HB   ARG  43           HB1      ARG  43   5.579  -8.884   0.107
  313   1HG   ARG  43           HG2      ARG  43   7.115 -10.673   0.858
  314   2HG   ARG  43           HG1      ARG  43   5.529 -11.324   0.435
  315   1HD   ARG  43           HD2      ARG  43   6.361 -12.003  -1.765
  316   2HD   ARG  43           HD1      ARG  43   7.935 -11.291  -1.412
  317    HE   ARG  43           HE       ARG  43   8.441 -13.190  -0.104
  318   1HH1  ARG  43          HH21      ARG  43   6.834 -13.749   1.951
  319   2HH1  ARG  43          HH22      ARG  43   5.673 -14.933   1.449
  320   1HH2  ARG  43          HH11      ARG  43   6.183 -14.377  -1.937
  321   2HH2  ARG  43          HH12      ARG  43   5.306 -15.289  -0.754
  322    H    CYS  44           HN       CYS  44   5.260  -7.364  -2.602
  323    HA   CYS  44           HA       CYS  44   2.932  -6.290  -1.329
  324   1HB   CYS  44           HB2      CYS  44   4.664  -5.344  -3.595
  325   2HB   CYS  44           HB1      CYS  44   3.181  -4.486  -3.168
  326    H    CYS  45           HN       CYS  45   3.434  -7.727  -4.560
  327    HA   CYS  45           HA       CYS  45   0.808  -6.993  -5.527
  328   1HB   CYS  45           HB2      CYS  45   2.792  -9.099  -6.419
  329   2HB   CYS  45           HB1      CYS  45   1.240  -8.867  -7.213
  330    H    ARG  46           HN       ARG  46   2.068  -9.665  -3.627
  331    HA   ARG  46           HA       ARG  46  -0.306 -11.316  -3.934
  332   1HB   ARG  46           HB2      ARG  46   2.094 -11.965  -3.098
  333   2HB   ARG  46           HB1      ARG  46   1.498 -11.449  -1.529
  334   1HG   ARG  46           HG2      ARG  46   1.031 -13.787  -1.655
  335   2HG   ARG  46           HG1      ARG  46  -0.507 -12.966  -1.919
  336   1HD   ARG  46           HD2      ARG  46  -0.638 -14.304  -3.757
  337   2HD   ARG  46           HD1      ARG  46   0.444 -13.108  -4.473
  338    HE   ARG  46           HE       ARG  46   1.145 -15.829  -3.860
  339   1HH1  ARG  46          HH11      ARG  46   2.286 -12.907  -5.016
  340   2HH1  ARG  46          HH12      ARG  46   3.949 -13.192  -4.622
  341   1HH2  ARG  46          HH21      ARG  46   3.304 -16.075  -2.811
  342   2HH2  ARG  46          HH22      ARG  46   4.524 -14.984  -3.376
  343    H    GLN  47           HN       GLN  47   0.769  -8.766  -1.773
  344    HA   GLN  47           HA       GLN  47  -1.440  -9.132   0.106
  345   1HB   GLN  47           HB2      GLN  47   0.369  -6.729  -0.291
  346   2HB   GLN  47           HB1      GLN  47  -0.638  -7.058   1.119
  347   1HG   GLN  47           HG2      GLN  47   0.904  -9.390   0.695
  348   2HG   GLN  47           HG1      GLN  47   2.016  -8.030   0.533
  349   1HE2  GLN  47          HE22      GLN  47   2.223  -7.832   4.040
  350   2HE2  GLN  47          HE21      GLN  47   3.039  -7.885   2.553
  351    H    LEU  48           HN       LEU  48  -0.848  -7.232  -2.794
  352    HA   LEU  48           HA       LEU  48  -3.156  -5.509  -2.461
  353   1HB   LEU  48           HB2      LEU  48  -1.141  -4.978  -3.903
  354   2HB   LEU  48           HB1      LEU  48  -1.721  -6.190  -5.045
  355    HG   LEU  48           HG       LEU  48  -3.704  -4.171  -4.140
  356   1HD1  LEU  48          HD13      LEU  48  -1.152  -3.351  -5.082
  357   2HD1  LEU  48          HD12      LEU  48  -2.288  -3.120  -6.411
  358   3HD1  LEU  48          HD11      LEU  48  -2.587  -2.353  -4.852
  359   1HD2  LEU  48          HD23      LEU  48  -4.129  -6.028  -5.799
  360   2HD2  LEU  48          HD22      LEU  48  -4.475  -4.415  -6.423
  361   3HD2  LEU  48          HD21      LEU  48  -2.987  -5.239  -6.887
  362    H    GLU  49           HN       GLU  49  -2.499  -8.572  -4.138
  363    HA   GLU  49           HA       GLU  49  -5.110  -8.687  -5.390
  364   1HB   GLU  49           HB2      GLU  49  -2.791 -10.107  -5.718
  365   2HB   GLU  49           HB1      GLU  49  -3.748 -11.250  -4.773
  366   1HG   GLU  49           HG2      GLU  49  -5.424 -10.058  -6.783
  367   2HG   GLU  49           HG1      GLU  49  -3.967 -10.693  -7.547
  368    H    ALA  50           HN       ALA  50  -3.677 -10.368  -2.557
  369    HA   ALA  50           HA       ALA  50  -5.957 -11.692  -1.609
  370   1HB   ALA  50           HB1      ALA  50  -3.439 -10.974  -0.537
  371   2HB   ALA  50           HB3      ALA  50  -4.634 -10.345   0.597
  372   3HB   ALA  50           HB2      ALA  50  -4.624 -12.060   0.187
  373    H    ILE  51           HN       ILE  51  -4.960  -8.332  -1.128
  374    HA   ILE  51           HA       ILE  51  -7.353  -7.492   0.259
  375    HB   ILE  51           HB       ILE  51  -5.246  -5.972  -1.308
  376   1HG1  ILE  51          HG12      ILE  51  -5.831  -5.960   1.664
  377   2HG1  ILE  51          HG11      ILE  51  -4.694  -7.091   0.928
  378   1HG2  ILE  51          HG23      ILE  51  -7.880  -5.141  -0.542
  379   2HG2  ILE  51          HG22      ILE  51  -6.710  -4.281   0.460
  380   3HG2  ILE  51          HG21      ILE  51  -6.607  -4.181  -1.298
  381   1HD1  ILE  51          HD13      ILE  51  -4.475  -4.122   0.440
  382   2HD1  ILE  51          HD12      ILE  51  -3.738  -4.871   1.857
  383   3HD1  ILE  51          HD11      ILE  51  -3.238  -5.362   0.239
  384    HA   PRO  52           HA       PRO  52  -9.616  -8.134  -3.554
  385   1HB   PRO  52           HB2      PRO  52 -12.078  -7.450  -2.490
  386   2HB   PRO  52           HB1      PRO  52 -11.346  -9.061  -2.389
  387   1HG   PRO  52           HG2      PRO  52 -11.477  -6.915  -0.293
  388   2HG   PRO  52           HG1      PRO  52 -11.537  -8.678  -0.100
  389   1HD   PRO  52           HD2      PRO  52  -9.271  -7.183   0.408
  390   2HD   PRO  52           HD1      PRO  52  -9.226  -8.888  -0.090
  391    H    ALA  53           HN       ALA  53 -10.134  -6.767  -5.168
  392    HA   ALA  53           HA       ALA  53  -9.308  -4.238  -5.478
  393   1HB   ALA  53           HB1      ALA  53 -11.131  -5.870  -6.825
  394   2HB   ALA  53           HB3      ALA  53 -11.987  -4.349  -6.575
  395   3HB   ALA  53           HB2      ALA  53 -10.435  -4.360  -7.413
  396    H    TYR  54           HN       TYR  54 -12.228  -5.095  -3.696
  397    HA   TYR  54           HA       TYR  54 -13.213  -2.412  -3.392
  398   1HB   TYR  54           HB2      TYR  54 -13.758  -5.067  -2.214
  399   2HB   TYR  54           HB1      TYR  54 -14.105  -3.703  -1.151
  400    HD1  TYR  54           HD1      TYR  54 -15.311  -1.649  -2.395
  401    HD2  TYR  54           HD2      TYR  54 -15.449  -5.754  -3.658
  402    HE1  TYR  54           HE1      TYR  54 -17.396  -1.192  -3.659
  403    HE2  TYR  54           HE2      TYR  54 -17.535  -5.295  -4.921
  404    HH   TYR  54           HH       TYR  54 -18.926  -2.015  -5.035
  405    H    CYS  55           HN       CYS  55 -12.305  -0.801  -2.234
  406    HA   CYS  55           HA       CYS  55 -11.205   0.309  -0.478
  407   1HB   CYS  55           HB2      CYS  55 -10.919  -2.417   0.816
  408   2HB   CYS  55           HB1      CYS  55 -10.798  -0.843   1.596
  409    H    ARG  56           HN       ARG  56  -9.773  -1.491  -2.758
  410    HA   ARG  56           HA       ARG  56  -7.291  -2.406  -1.968
  411   1HB   ARG  56           HB2      ARG  56  -8.053  -0.704  -4.343
  412   2HB   ARG  56           HB1      ARG  56  -6.393  -1.249  -4.109
  413   1HG   ARG  56           HG2      ARG  56  -8.497  -3.322  -3.811
  414   2HG   ARG  56           HG1      ARG  56  -8.244  -2.702  -5.442
  415   1HD   ARG  56           HD2      ARG  56  -5.745  -3.107  -5.050
  416   2HD   ARG  56           HD1      ARG  56  -6.222  -4.028  -3.626
  417    HE   ARG  56           HE       ARG  56  -6.871  -5.777  -5.072
  418   1HH1  ARG  56          HH21      ARG  56  -6.178  -2.915  -6.836
  419   2HH1  ARG  56          HH22      ARG  56  -6.787  -3.530  -8.336
  420   1HH2  ARG  56          HH11      ARG  56  -7.918  -6.507  -6.966
  421   2HH2  ARG  56          HH12      ARG  56  -7.771  -5.562  -8.410
  422    H    CYS  57           HN       CYS  57  -7.132   0.847  -3.360
  423    HA   CYS  57           HA       CYS  57  -4.962   1.943  -2.273
  424   1HB   CYS  57           HB2      CYS  57  -7.693   3.147  -2.471
  425   2HB   CYS  57           HB1      CYS  57  -6.410   4.075  -1.702
  426    H    GLU  58           HN       GLU  58  -7.920   1.715  -0.217
  427    HA   GLU  58           HA       GLU  58  -7.404   2.845   2.113
  428   1HB   GLU  58           HB2      GLU  58  -9.023   0.837   1.501
  429   2HB   GLU  58           HB1      GLU  58  -7.817  -0.101   2.383
  430   1HG   GLU  58           HG2      GLU  58  -8.082   1.278   4.349
  431   2HG   GLU  58           HG1      GLU  58  -9.122   2.404   3.477
  432    H    ALA  59           HN       ALA  59  -5.674  -0.193   1.288
  433    HA   ALA  59           HA       ALA  59  -4.116  -0.585   3.515
  434   1HB   ALA  59           HB3      ALA  59  -3.964  -1.356   0.825
  435   2HB   ALA  59           HB2      ALA  59  -2.390  -0.646   1.186
  436   3HB   ALA  59           HB1      ALA  59  -2.995  -1.989   2.156
  437    H    VAL  60           HN       VAL  60  -3.041   1.505   0.853
  438    HA   VAL  60           HA       VAL  60  -0.812   2.648   2.112
  439    HB   VAL  60           HB       VAL  60  -2.735   4.080   0.253
  440   1HG1  VAL  60          HG11      VAL  60   0.105   4.529   1.142
  441   2HG1  VAL  60          HG13      VAL  60  -0.425   5.087  -0.444
  442   3HG1  VAL  60          HG12      VAL  60  -1.213   5.694   1.013
  443   1HG2  VAL  60          HG23      VAL  60  -1.525   1.691  -0.270
  444   2HG2  VAL  60          HG22      VAL  60  -1.882   2.899  -1.505
  445   3HG2  VAL  60          HG21      VAL  60  -0.271   2.816  -0.794
  446    H    ARG  61           HN       ARG  61  -4.225   3.604   2.314
  447    HA   ARG  61           HA       ARG  61  -3.856   5.992   3.826
  448   1HB   ARG  61           HB2      ARG  61  -6.032   4.548   2.828
  449   2HB   ARG  61           HB1      ARG  61  -6.261   4.528   4.576
  450   1HG   ARG  61           HG2      ARG  61  -5.438   7.145   3.993
  451   2HG   ARG  61           HG1      ARG  61  -6.582   6.734   2.715
  452   1HD   ARG  61           HD2      ARG  61  -7.943   5.744   4.806
  453   2HD   ARG  61           HD1      ARG  61  -7.033   6.998   5.649
  454    HE   ARG  61           HE       ARG  61  -8.074   8.655   4.139
  455   1HH1  ARG  61          HH21      ARG  61  -8.982   7.347   1.800
  456   2HH1  ARG  61          HH22      ARG  61 -10.637   6.944   2.113
  457   1HH2  ARG  61          HH11      ARG  61 -10.358   7.317   5.548
  458   2HH2  ARG  61          HH12      ARG  61 -11.415   6.928   4.232
  459    H    ILE  62           HN       ILE  62  -3.999   2.604   4.819
  460    HA   ILE  62           HA       ILE  62  -4.156   3.237   7.658
  461    HB   ILE  62           HB       ILE  62  -3.598   0.705   6.097
  462   1HG1  ILE  62          HG12      ILE  62  -5.812   1.340   8.059
  463   2HG1  ILE  62          HG11      ILE  62  -5.938   1.716   6.340
  464   1HG2  ILE  62          HG23      ILE  62  -3.354   1.243   9.050
  465   2HG2  ILE  62          HG22      ILE  62  -3.873  -0.343   8.480
  466   3HG2  ILE  62          HG21      ILE  62  -2.298   0.292   8.007
  467   1HD1  ILE  62          HD12      ILE  62  -4.988  -1.000   6.755
  468   2HD1  ILE  62          HD11      ILE  62  -6.538  -0.737   7.553
  469   3HD1  ILE  62          HD13      ILE  62  -6.375  -0.434   5.823
  470    H    LEU  63           HN       LEU  63  -1.557   2.726   5.344
  471    HA   LEU  63           HA       LEU  63   0.430   2.375   7.441
  472   1HB   LEU  63           HB2      LEU  63   0.792   1.472   5.163
  473   2HB   LEU  63           HB1      LEU  63   0.823   3.118   4.529
  474    HG   LEU  63           HG       LEU  63   2.623   2.824   6.794
  475   1HD1  LEU  63          HD13      LEU  63   2.952   0.977   4.418
  476   2HD1  LEU  63          HD12      LEU  63   4.291   1.430   5.472
  477   3HD1  LEU  63          HD11      LEU  63   2.918   0.538   6.127
  478   1HD2  LEU  63          HD21      LEU  63   2.483   4.588   4.901
  479   2HD2  LEU  63          HD23      LEU  63   4.087   4.034   5.379
  480   3HD2  LEU  63          HD22      LEU  63   3.334   3.400   3.916
  481    H    MET  64           HN       MET  64  -0.495   5.082   5.308
  482    HA   MET  64           HA       MET  64   1.367   6.889   6.621
  483   1HB   MET  64           HB2      MET  64   0.706   7.244   4.284
  484   2HB   MET  64           HB1      MET  64  -0.980   7.434   4.764
  485   1HG   MET  64           HG2      MET  64  -0.028   9.645   4.488
  486   2HG   MET  64           HG1      MET  64  -0.285   9.367   6.211
  487   1HE   MET  64           HE1      MET  64   1.037   9.720   7.796
  488   2HE   MET  64           HE3      MET  64   2.775  10.046   7.828
  489   3HE   MET  64           HE2      MET  64   1.670  11.215   7.111
  490    H    ASP  65           HN       ASP  65  -2.220   6.558   6.637
  491    HA   ASP  65           HA       ASP  65  -2.375   8.507   8.820
  492   1HB   ASP  65           HB2      ASP  65  -4.498   6.932   7.326
  493   2HB   ASP  65           HB1      ASP  65  -4.869   7.744   8.845
  494    H    GLY  66           HN       GLY  66  -2.016   5.072   8.579
  495   1HA   GLY  66           HA2      GLY  66  -1.504   3.629  10.393
  496   2HA   GLY  66           HA1      GLY  66  -1.963   4.913  11.511
  497    H    VAL  67           HN       VAL  67  -2.807   2.095  11.530
  498    HA   VAL  67           HA       VAL  67  -5.751   2.463  11.151
  499    HB   VAL  67           HB       VAL  67  -5.094   0.703   9.698
  500   1HG1  VAL  67          HG11      VAL  67  -2.805   0.438  10.649
  501   2HG1  VAL  67          HG13      VAL  67  -3.496  -0.453  12.006
  502   3HG1  VAL  67          HG12      VAL  67  -3.597  -1.114  10.374
  503   1HG2  VAL  67          HG22      VAL  67  -6.996   0.204  11.326
  504   2HG2  VAL  67          HG21      VAL  67  -6.231  -1.206  10.591
  505   3HG2  VAL  67          HG23      VAL  67  -5.834  -0.752  12.248
  506    H    VAL  68           HN       VAL  68  -7.105   1.422  12.796
  507    HA   VAL  68           HA       VAL  68  -5.694   1.233  15.421
  508    HB   VAL  68           HB       VAL  68  -8.377   2.384  14.671
  509   1HG1  VAL  68          HG12      VAL  68  -8.737   0.801  16.558
  510   2HG1  VAL  68          HG11      VAL  68  -7.459   1.613  17.462
  511   3HG1  VAL  68          HG13      VAL  68  -8.943   2.478  17.062
  512   1HG2  VAL  68          HG21      VAL  68  -5.823   3.414  15.301
  513   2HG2  VAL  68          HG23      VAL  68  -7.323   4.327  15.126
  514   3HG2  VAL  68          HG22      VAL  68  -6.832   3.732  16.712
  515    H    THR  69           HN       THR  69  -6.636  -0.229  16.975
  516    HA   THR  69           HA       THR  69  -8.000  -2.558  15.702
  517    HB   THR  69           HB       THR  69  -6.844  -3.908  17.498
  518    HG1  THR  69           HG1      THR  69  -6.226  -1.456  18.328
  519   1HG2  THR  69          HG23      THR  69  -6.001  -3.485  15.090
  520   2HG2  THR  69          HG22      THR  69  -4.830  -2.399  15.839
  521   3HG2  THR  69          HG21      THR  69  -4.844  -4.111  16.263
  522    H    SER  70           HN       SER  70  -9.427  -3.764  17.151
  523    HA   SER  70           HA       SER  70 -11.214  -2.073  18.595
  524   1HB   SER  70           HB2      SER  70 -11.788  -4.287  17.511
  525   2HB   SER  70           HB1      SER  70 -10.981  -5.074  18.863
  526    HG   SER  70           HG       SER  70 -13.030  -4.921  19.534
  527    H    SER  71           HN       SER  71  -8.538  -4.070  19.578
  528    HA   SER  71           HA       SER  71  -9.038  -4.031  22.399
  529   1HB   SER  71           HB2      SER  71  -6.454  -4.352  22.466
  530   2HB   SER  71           HB1      SER  71  -7.434  -5.609  21.718
  531    HG   SER  71           HG       SER  71  -5.815  -5.128  20.295
  532    H    GLY  72           HN       GLY  72  -8.096  -1.578  20.226
  533   1HA   GLY  72           HA2      GLY  72  -8.048   0.757  20.937
  534   2HA   GLY  72           HA1      GLY  72  -7.517   0.211  22.532
  535    H    GLN  73           HN       GLN  73  -5.890  -1.547  20.141
  536    HA   GLN  73           HA       GLN  73  -3.437   0.019  20.690
  537   1HB   GLN  73           HB2      GLN  73  -3.977  -2.680  19.448
  538   2HB   GLN  73           HB1      GLN  73  -2.381  -1.932  19.385
  539   1HG   GLN  73           HG2      GLN  73  -2.585  -1.650  21.928
  540   2HG   GLN  73           HG1      GLN  73  -3.953  -2.761  21.829
  541   1HE2  GLN  73          HE22      GLN  73  -0.590  -4.569  22.282
  542   2HE2  GLN  73          HE21      GLN  73  -1.192  -3.178  23.047
  543    H    HIS  74           HN       HIS  74  -2.028   0.706  18.913
  544    HA   HIS  74           HA       HIS  74  -3.553   1.221  16.398
  545   1HB   HIS  74           HB2      HIS  74  -1.520   2.856  17.903
  546   2HB   HIS  74           HB1      HIS  74  -1.848   3.144  16.207
  547    HD1  HIS  74           HD1      HIS  74  -3.034   5.401  16.532
  548    HD2  HIS  74           HD2      HIS  74  -4.779   2.305  18.710
  549    HE1  HIS  74           HE1      HIS  74  -5.230   6.296  17.416
  550    H    GLU  75           HN       GLU  75  -2.242   1.164  14.431
  551    HA   GLU  75           HA       GLU  75   0.406  -0.146  14.713
  552   1HB   GLU  75           HB2      GLU  75  -1.622  -1.248  12.777
  553   2HB   GLU  75           HB1      GLU  75  -0.135  -1.999  13.359
  554   1HG   GLU  75           HG2      GLU  75  -1.363  -1.701  15.720
  555   2HG   GLU  75           HG1      GLU  75  -2.796  -1.782  14.693
  556    H    GLY  76           HN       GLY  76   1.234  -0.521  12.273
  557   1HA   GLY  76           HA2      GLY  76   2.099   0.628  10.418
  558   2HA   GLY  76           HA1      GLY  76   0.433   1.150  10.164
  559    H    ARG  77           HN       ARG  77   0.856   3.282   9.615
  560    HA   ARG  77           HA       ARG  77   1.351   5.547   9.974
  561   1HB   ARG  77           HB2      ARG  77   0.020   4.659  12.177
  562   2HB   ARG  77           HB1      ARG  77   1.514   5.243  12.909
  563   1HG   ARG  77           HG2      ARG  77   1.178   7.439  12.153
  564   2HG   ARG  77           HG1      ARG  77   0.053   6.932  10.892
  565   1HD   ARG  77           HD2      ARG  77  -1.616   7.447  12.320
  566   2HD   ARG  77           HD1      ARG  77  -1.128   6.036  13.259
  567    HE   ARG  77           HE       ARG  77  -0.518   7.595  14.903
  568   1HH1  ARG  77          HH11      ARG  77  -0.504   9.117  11.841
  569   2HH1  ARG  77          HH12      ARG  77   0.470  10.455  12.350
  570   1HH2  ARG  77          HH21      ARG  77   1.005   9.198  15.535
  571   2HH2  ARG  77          HH22      ARG  77   1.324  10.501  14.440
  572    H    LEU  78           HN       LEU  78   3.571   3.309  10.205
  573    HA   LEU  78           HA       LEU  78   5.578   4.695  11.836
  574   1HB   LEU  78           HB2      LEU  78   5.293   2.068  10.606
  575   2HB   LEU  78           HB1      LEU  78   6.894   2.752  10.323
  576    HG   LEU  78           HG       LEU  78   7.030   3.266  12.783
  577   1HD1  LEU  78          HD11      LEU  78   4.347   2.883  12.797
  578   2HD1  LEU  78          HD13      LEU  78   4.884   1.289  13.328
  579   3HD1  LEU  78          HD12      LEU  78   5.349   2.726  14.239
  580   1HD2  LEU  78          HD22      LEU  78   7.610   0.959  11.445
  581   2HD2  LEU  78          HD21      LEU  78   7.996   1.227  13.144
  582   3HD2  LEU  78          HD23      LEU  78   6.533   0.348  12.701
  583    H    LEU  79           HN       LEU  79   4.441   4.978   8.633
  584    HA   LEU  79           HA       LEU  79   6.628   5.436   7.014
  585   1HB   LEU  79           HB2      LEU  79   4.066   5.881   6.623
  586   2HB   LEU  79           HB1      LEU  79   4.461   7.522   7.134
  587    HG   LEU  79           HG       LEU  79   4.590   7.184   4.648
  588   1HD1  LEU  79          HD11      LEU  79   6.023   8.816   6.093
  589   2HD1  LEU  79          HD13      LEU  79   7.354   7.723   5.714
  590   3HD1  LEU  79          HD12      LEU  79   6.488   8.545   4.414
  591   1HD2  LEU  79          HD22      LEU  79   5.853   4.821   5.354
  592   2HD2  LEU  79          HD21      LEU  79   5.825   5.517   3.735
  593   3HD2  LEU  79          HD23      LEU  79   7.189   5.832   4.808
  594    H    GLN  80           HN       GLN  80   8.479   6.218   8.089
  595    HA   GLN  80           HA       GLN  80   8.368   9.105   8.775
  596   1HB   GLN  80           HB2      GLN  80   9.465   6.944  10.597
  597   2HB   GLN  80           HB1      GLN  80   9.695   8.675  10.847
  598   1HG   GLN  80           HG2      GLN  80   7.294   9.019  11.039
  599   2HG   GLN  80           HG1      GLN  80   6.986   7.329  10.635
  600   1HE2  GLN  80          HE22      GLN  80   6.819   7.154  14.245
  601   2HE2  GLN  80          HE21      GLN  80   5.855   7.473  12.885
  602    H    ASP  81           HN       ASP  81  10.746   9.763   9.391
  603    HA   ASP  81           HA       ASP  81  12.313   9.428   7.026
  604   1HB   ASP  81           HB2      ASP  81  13.032  10.564   9.747
  605   2HB   ASP  81           HB1      ASP  81  14.054  10.688   8.313
  606    H    LEU  82           HN       LEU  82  13.325   7.607   6.521
  607    HA   LEU  82           HA       LEU  82  14.510   5.840   8.577
  608   1HB   LEU  82           HB2      LEU  82  13.902   5.630   5.628
  609   2HB   LEU  82           HB1      LEU  82  15.031   4.505   6.364
  610    HG   LEU  82           HG       LEU  82  12.270   5.006   7.487
  611   1HD1  LEU  82          HD11      LEU  82  13.200   2.954   5.462
  612   2HD1  LEU  82          HD13      LEU  82  11.713   2.787   6.395
  613   3HD1  LEU  82          HD12      LEU  82  11.902   4.135   5.274
  614   1HD2  LEU  82          HD21      LEU  82  14.587   3.520   8.316
  615   2HD2  LEU  82          HD23      LEU  82  13.036   3.682   9.140
  616   3HD2  LEU  82          HD22      LEU  82  13.279   2.391   7.962
  617    HA   PRO  83           HA       PRO  83  18.590   7.288   7.872
  618   1HB   PRO  83           HB2      PRO  83  20.091   5.035   7.319
  619   2HB   PRO  83           HB1      PRO  83  19.547   5.501   8.939
  620   1HG   PRO  83           HG2      PRO  83  18.451   3.392   7.118
  621   2HG   PRO  83           HG1      PRO  83  18.504   3.429   8.890
  622   1HD   PRO  83           HD2      PRO  83  16.234   3.970   7.391
  623   2HD   PRO  83           HD1      PRO  83  16.486   4.543   9.050
  624    H    GLY  84           HN       GLY  84  18.481   8.542   6.034
  625   1HA   GLY  84           HA2      GLY  84  19.399   9.089   3.898
  626   2HA   GLY  84           HA1      GLY  84  19.580   7.367   3.555
  627    H    CYS  85           HN       CYS  85  16.494   8.142   4.849
  628    HA   CYS  85           HA       CYS  85  15.319   8.524   2.140
  629   1HB   CYS  85           HB2      CYS  85  14.103   6.513   4.008
  630   2HB   CYS  85           HB1      CYS  85  13.921   6.653   2.261
  631    HA   PRO  86           HA       PRO  86  13.310  11.133   5.332
  632   1HB   PRO  86           HB2      PRO  86  12.769  13.231   3.628
  633   2HB   PRO  86           HB1      PRO  86  14.267  13.057   4.537
  634   1HG   PRO  86           HG2      PRO  86  13.766  12.587   1.639
  635   2HG   PRO  86           HG1      PRO  86  15.271  13.050   2.452
  636   1HD   PRO  86           HD2      PRO  86  14.642  10.474   1.526
  637   2HD   PRO  86           HD1      PRO  86  15.935  10.861   2.682
  638    H    ARG  87           HN       ARG  87  11.042  11.870   5.506
  639    HA   ARG  87           HA       ARG  87   9.077  10.187   4.537
  640   1HB   ARG  87           HB2      ARG  87   8.817  13.180   4.967
  641   2HB   ARG  87           HB1      ARG  87   7.491  12.026   4.948
  642   1HG   ARG  87           HG2      ARG  87   9.354  10.985   6.772
  643   2HG   ARG  87           HG1      ARG  87   9.280  12.713   7.112
  644   1HD   ARG  87           HD2      ARG  87   6.883  10.864   6.913
  645   2HD   ARG  87           HD1      ARG  87   7.581  11.474   8.415
  646    HE   ARG  87           HE       ARG  87   6.276  13.212   6.360
  647   1HH1  ARG  87          HH21      ARG  87   8.259  13.924   8.782
  648   2HH1  ARG  87          HH22      ARG  87   7.105  14.667   9.838
  649   1HH2  ARG  87          HH11      ARG  87   4.353  13.538   8.050
  650   2HH2  ARG  87          HH12      ARG  87   4.891  14.448   9.423
  651    H    GLN  88           HN       GLN  88  10.680  12.833   2.947
  652    HA   GLN  88           HA       GLN  88   8.881  13.423   0.855
  653   1HB   GLN  88           HB2      GLN  88  11.579  14.036   1.501
  654   2HB   GLN  88           HB1      GLN  88  11.548  13.513  -0.183
  655   1HG   GLN  88           HG2      GLN  88  10.465  15.380  -0.846
  656   2HG   GLN  88           HG1      GLN  88   9.304  15.266   0.478
  657   1HE2  GLN  88          HE22      GLN  88  11.791  16.970   2.710
  658   2HE2  GLN  88          HE21      GLN  88  11.045  15.445   2.710
  659    H    VAL  89           HN       VAL  89  11.470  10.920   0.815
  660    HA   VAL  89           HA       VAL  89  10.921  10.127  -1.884
  661    HB   VAL  89           HB       VAL  89  12.222   8.587   0.366
  662   1HG1  VAL  89          HG11      VAL  89  11.856   8.152  -2.541
  663   2HG1  VAL  89          HG13      VAL  89  13.495   7.902  -1.941
  664   3HG1  VAL  89          HG12      VAL  89  12.157   6.978  -1.259
  665   1HG2  VAL  89          HG23      VAL  89  13.136  10.858  -0.015
  666   2HG2  VAL  89          HG22      VAL  89  14.284   9.580  -0.414
  667   3HG2  VAL  89          HG21      VAL  89  13.421  10.427  -1.700
  668    H    GLN  90           HN       GLN  90   9.855   8.851   1.265
  669    HA   GLN  90           HA       GLN  90   8.471   6.591   0.164
  670   1HB   GLN  90           HB2      GLN  90   8.845   7.748   2.750
  671   2HB   GLN  90           HB1      GLN  90   7.112   7.518   2.507
  672   1HG   GLN  90           HG2      GLN  90   7.291   5.266   2.612
  673   2HG   GLN  90           HG1      GLN  90   8.695   5.252   1.545
  674   1HE2  GLN  90          HE22      GLN  90  10.853   6.030   4.514
  675   2HE2  GLN  90          HE21      GLN  90  10.484   6.858   3.080
  676    H    ARG  91           HN       ARG  91   7.640   9.971   0.555
  677    HA   ARG  91           HA       ARG  91   4.809   9.540  -0.047
  678   1HB   ARG  91           HB2      ARG  91   6.261  11.633   1.044
  679   2HB   ARG  91           HB1      ARG  91   5.837  12.236  -0.559
  680   1HG   ARG  91           HG2      ARG  91   3.885  12.815   0.496
  681   2HG   ARG  91           HG1      ARG  91   3.467  11.137   0.146
  682   1HD   ARG  91           HD2      ARG  91   4.784  10.769   2.468
  683   2HD   ARG  91           HD1      ARG  91   4.194  12.408   2.740
  684    HE   ARG  91           HE       ARG  91   2.405  10.082   2.143
  685   1HH1  ARG  91          HH21      ARG  91   0.317  11.475   1.971
  686   2HH1  ARG  91          HH22      ARG  91  -0.001  12.371   3.418
  687   1HH2  ARG  91          HH11      ARG  91   3.199  11.973   4.689
  688   2HH2  ARG  91          HH12      ARG  91   1.629  12.653   4.955
  689    H    ALA  92           HN       ALA  92   7.735  10.154  -1.882
  690    HA   ALA  92           HA       ALA  92   6.384  10.958  -4.317
  691   1HB   ALA  92           HB3      ALA  92   9.170   9.894  -3.788
  692   2HB   ALA  92           HB2      ALA  92   8.617  10.428  -5.375
  693   3HB   ALA  92           HB1      ALA  92   8.699  11.575  -4.038
  694    H    PHE  93           HN       PHE  93   7.926   7.883  -3.289
  695    HA   PHE  93           HA       PHE  93   6.892   6.468  -5.625
  696   1HB   PHE  93           HB2      PHE  93   8.973   5.726  -4.605
  697   2HB   PHE  93           HB1      PHE  93   8.163   5.487  -3.059
  698    HD1  PHE  93           HD1      PHE  93   6.508   3.659  -2.764
  699    HD2  PHE  93           HD2      PHE  93   8.738   4.133  -6.405
  700    HE1  PHE  93           HE1      PHE  93   5.892   1.355  -3.444
  701    HE2  PHE  93           HE2      PHE  93   8.123   1.829  -7.083
  702    HZ   PHE  93           HZ       PHE  93   6.700   0.440  -5.602
  703    H    ALA  94           HN       ALA  94   5.801   7.064  -2.364
  704    HA   ALA  94           HA       ALA  94   4.089   5.017  -1.762
  705   1HB   ALA  94           HB3      ALA  94   4.019   7.941  -1.312
  706   2HB   ALA  94           HB2      ALA  94   2.485   7.098  -1.089
  707   3HB   ALA  94           HB1      ALA  94   3.901   6.616  -0.154
  708    HA   PRO  95           HA       PRO  95   0.603   6.726  -4.564
  709   1HB   PRO  95           HB2      PRO  95   1.320   8.605  -6.446
  710   2HB   PRO  95           HB1      PRO  95   0.698   8.998  -4.834
  711   1HG   PRO  95           HG2      PRO  95   3.504   9.135  -5.855
  712   2HG   PRO  95           HG1      PRO  95   2.719  10.101  -4.593
  713   1HD   PRO  95           HD2      PRO  95   4.468   7.965  -4.127
  714   2HD   PRO  95           HD1      PRO  95   3.344   8.636  -2.932
  715    H    LYS  96           HN       LYS  96   1.256   4.520  -5.243
  716    HA   LYS  96           HA       LYS  96   1.239   4.177  -8.049
  717   1HB   LYS  96           HB2      LYS  96   3.903   4.576  -6.896
  718   2HB   LYS  96           HB1      LYS  96   3.762   3.055  -7.780
  719   1HG   LYS  96           HG2      LYS  96   3.806   4.146  -9.747
  720   2HG   LYS  96           HG1      LYS  96   2.440   5.149  -9.255
  721   1HD   LYS  96           HD2      LYS  96   3.843   6.902  -9.135
  722   2HD   LYS  96           HD1      LYS  96   4.654   6.102  -7.788
  723   1HE   LYS  96           HE2      LYS  96   6.461   5.641  -9.055
  724   2HE   LYS  96           HE1      LYS  96   5.459   4.940 -10.327
  725   1HZ   LYS  96           HZ2      LYS  96   5.156   7.757 -10.249
  726   2HZ   LYS  96           HZ1      LYS  96   6.799   7.350 -10.400
  727   3HZ   LYS  96           HZ3      LYS  96   5.676   6.770 -11.531
  728    H    LEU  97           HN       LEU  97  -0.268   2.952  -6.243
  729    HA   LEU  97           HA       LEU  97   0.975   0.351  -5.547
  730   1HB   LEU  97           HB2      LEU  97  -0.885   1.977  -4.247
  731   2HB   LEU  97           HB1      LEU  97  -1.829   0.605  -4.826
  732    HG   LEU  97           HG       LEU  97   0.633  -0.418  -3.830
  733   1HD1  LEU  97          HD11      LEU  97  -0.130   1.980  -2.491
  734   2HD1  LEU  97          HD13      LEU  97  -0.487   0.631  -1.412
  735   3HD1  LEU  97          HD12      LEU  97   1.145   0.848  -2.043
  736   1HD2  LEU  97          HD23      LEU  97  -2.286  -0.588  -3.242
  737   2HD2  LEU  97          HD22      LEU  97  -1.142  -1.873  -3.630
  738   3HD2  LEU  97          HD21      LEU  97  -1.183  -1.190  -2.005
  739    H    VAL  98           HN       VAL  98  -2.439   0.840  -6.522
  740    HA   VAL  98           HA       VAL  98  -2.279  -1.592  -8.133
  741    HB   VAL  98           HB       VAL  98  -4.627  -1.393  -8.366
  742   1HG1  VAL  98          HG13      VAL  98  -3.635  -0.341  -5.718
  743   2HG1  VAL  98          HG12      VAL  98  -5.316  -0.801  -5.990
  744   3HG1  VAL  98          HG11      VAL  98  -4.036  -2.005  -6.139
  745   1HG2  VAL  98          HG23      VAL  98  -4.256   1.500  -7.521
  746   2HG2  VAL  98          HG22      VAL  98  -4.757   0.932  -9.113
  747   3HG2  VAL  98          HG21      VAL  98  -5.822   0.715  -7.724
  748    H    THR  99           HN       THR  99  -0.747   0.826  -9.073
  749    HA   THR  99           HA       THR  99  -2.228   1.409 -11.575
  750    HB   THR  99           HB       THR  99  -0.777   3.246 -11.897
  751    HG1  THR  99           HG1      THR  99   0.999   2.362  -9.914
  752   1HG2  THR  99          HG23      THR  99  -1.874   2.816  -9.299
  753   2HG2  THR  99          HG22      THR  99  -0.330   3.646  -9.109
  754   3HG2  THR  99          HG21      THR  99  -1.590   4.348 -10.124
  755    H    GLU 100           HN       GLU 100  -0.714   1.368 -13.644
  756    HA   GLU 100           HA       GLU 100   0.169  -1.301 -14.023
  757   1HB   GLU 100           HB2      GLU 100   0.008   1.100 -15.558
  758   2HB   GLU 100           HB1      GLU 100   1.614   0.412 -15.795
  759   1HG   GLU 100           HG2      GLU 100   0.808  -1.371 -16.942
  760   2HG   GLU 100           HG1      GLU 100  -0.542  -1.587 -15.828
  761    H    VAL 101           HN       VAL 101   1.806   0.956 -12.047
  762    HA   VAL 101           HA       VAL 101   4.463  -0.100 -12.837
  763    HB   VAL 101           HB       VAL 101   3.719   2.105 -10.895
  764   1HG1  VAL 101          HG12      VAL 101   6.314   0.890 -11.792
  765   2HG1  VAL 101          HG11      VAL 101   6.254   2.605 -11.390
  766   3HG1  VAL 101          HG13      VAL 101   5.822   1.401 -10.177
  767   1HG2  VAL 101          HG23      VAL 101   3.662   2.096 -13.692
  768   2HG2  VAL 101          HG22      VAL 101   3.720   3.522 -12.655
  769   3HG2  VAL 101          HG21      VAL 101   5.215   2.832 -13.289
  770    H    GLU 102           HN       GLU 102   2.075  -1.195 -10.891
  771    HA   GLU 102           HA       GLU 102   4.071  -2.405  -9.051
  772   1HB   GLU 102           HB2      GLU 102   1.980  -0.514  -8.296
  773   2HB   GLU 102           HB1      GLU 102   1.851  -2.037  -7.416
  774   1HG   GLU 102           HG2      GLU 102   4.588  -1.495  -7.433
  775   2HG   GLU 102           HG1      GLU 102   3.837   0.076  -7.150
  776    H    CYS 103           HN       CYS 103   0.588  -2.657  -8.603
  777    HA   CYS 103           HA       CYS 103   0.579  -5.322  -9.947
  778   1HB   CYS 103           HB2      CYS 103  -0.605  -5.002  -7.196
  779   2HB   CYS 103           HB1      CYS 103  -0.118  -6.476  -8.021
  780    H    ASN 104           HN       ASN 104  -0.660  -2.792 -10.726
  781    HA   ASN 104           HA       ASN 104  -3.153  -2.117  -9.976
  782   1HB   ASN 104           HB2      ASN 104  -3.666  -1.484 -12.208
  783   2HB   ASN 104           HB1      ASN 104  -1.915  -1.371 -12.069
  784   1HD2  ASN 104          HD22      ASN 104  -1.288  -4.003 -14.367
  785   2HD2  ASN 104          HD21      ASN 104  -0.611  -2.977 -13.197
  786    H    LEU 105           HN       LEU 105  -2.653  -5.021 -12.056
  787    HA   LEU 105           HA       LEU 105  -4.261  -6.705 -12.558
  788   1HB   LEU 105           HB2      LEU 105  -4.337  -6.345  -9.560
  789   2HB   LEU 105           HB1      LEU 105  -5.296  -7.589 -10.358
  790    HG   LEU 105           HG       LEU 105  -2.625  -7.675 -11.403
  791   1HD1  LEU 105          HD12      LEU 105  -2.743  -6.869  -8.658
  792   2HD1  LEU 105          HD11      LEU 105  -2.174  -8.537  -8.717
  793   3HD1  LEU 105          HD13      LEU 105  -1.317  -7.282  -9.612
  794   1HD2  LEU 105          HD21      LEU 105  -4.657  -9.408 -10.180
  795   2HD2  LEU 105          HD23      LEU 105  -3.530  -9.757 -11.491
  796   3HD2  LEU 105          HD22      LEU 105  -3.009  -9.913  -9.813
  797    H    ALA 106           HN       ALA 106  -5.309  -3.834 -12.617
  798    HA   ALA 106           HA       ALA 106  -7.390  -2.792 -12.892
  799   1HB   ALA 106           HB1      ALA 106  -7.721  -5.354 -13.843
  800   2HB   ALA 106           HB3      ALA 106  -8.969  -5.273 -12.600
  801   3HB   ALA 106           HB2      ALA 106  -8.957  -4.097 -13.916
  802    H    THR 107           HN       THR 107  -9.219  -2.125 -11.569
  803    HA   THR 107           HA       THR 107  -9.181  -3.292  -8.808
  804    HB   THR 107           HB       THR 107  -9.066  -1.166  -7.833
  805    HG1  THR 107           HG1      THR 107  -9.877   0.617  -8.794
  806   1HG2  THR 107          HG21      THR 107  -7.029  -1.730  -9.260
  807   2HG2  THR 107          HG23      THR 107  -7.671  -0.599 -10.450
  808   3HG2  THR 107          HG22      THR 107  -7.233  -0.030  -8.840
  809    H    ILE 108           HN       ILE 108 -11.294  -2.190  -7.637
  810    HA   ILE 108           HA       ILE 108 -13.580  -3.255  -9.010
  811    HB   ILE 108           HB       ILE 108 -13.369  -2.950  -6.514
  812   1HG1  ILE 108          HG12      ILE 108 -15.761  -2.032  -6.274
  813   2HG1  ILE 108          HG11      ILE 108 -15.735  -1.829  -8.026
  814   1HG2  ILE 108          HG22      ILE 108 -12.439  -0.593  -6.769
  815   2HG2  ILE 108          HG21      ILE 108 -14.089  -0.071  -7.107
  816   3HG2  ILE 108          HG23      ILE 108 -13.691  -0.784  -5.543
  817   1HD1  ILE 108          HD11      ILE 108 -14.947  -4.466  -6.815
  818   2HD1  ILE 108          HD13      ILE 108 -16.653  -4.067  -7.016
  819   3HD1  ILE 108          HD12      ILE 108 -15.591  -4.131  -8.422
  820    H    HIS 109           HN       HIS 109 -12.167  -0.062  -8.791
  821    HA   HIS 109           HA       HIS 109 -14.276   1.490  -9.896
  822   1HB   HIS 109           HB2      HIS 109 -11.275   1.885 -10.055
  823   2HB   HIS 109           HB1      HIS 109 -12.490   3.120 -10.376
  824    HD1  HIS 109           HD1      HIS 109 -13.742   4.124  -8.345
  825    HD2  HIS 109           HD2      HIS 109 -10.987   1.175  -7.317
  826    HE1  HIS 109           HE1      HIS 109 -13.478   4.234  -5.829
  827    H    GLY 110           HN       GLY 110 -12.642  -1.040 -11.428
  828   1HA   GLY 110           HA2      GLY 110 -12.554  -1.681 -13.676
  829   2HA   GLY 110           HA1      GLY 110 -13.770  -0.438 -13.981
  830    H    GLY 111           HN       GLY 111 -10.634   0.259 -12.543
  831   1HA   GLY 111           HA2      GLY 111  -9.440   1.112 -15.063
  832   2HA   GLY 111           HA1      GLY 111  -9.986   2.463 -14.069
  833    HA   PRO 112           HA       PRO 112  -5.739   0.957 -12.703
  834   1HB   PRO 112           HB2      PRO 112  -4.304   3.062 -13.769
  835   2HB   PRO 112           HB1      PRO 112  -4.555   1.516 -14.594
  836   1HG   PRO 112           HG2      PRO 112  -5.806   4.170 -15.113
  837   2HG   PRO 112           HG1      PRO 112  -5.574   2.808 -16.221
  838   1HD   PRO 112           HD2      PRO 112  -8.000   3.516 -14.948
  839   2HD   PRO 112           HD1      PRO 112  -7.669   1.992 -15.796
  840    H    PHE 113           HN       PHE 113  -7.201   1.839 -10.792
  841    HA   PHE 113           HA       PHE 113  -5.669   3.576  -9.215
  842   1HB   PHE 113           HB2      PHE 113  -6.894   5.690  -9.245
  843   2HB   PHE 113           HB1      PHE 113  -6.267   5.343 -10.849
  844    HD1  PHE 113           HD2      PHE 113  -9.337   5.193  -8.730
  845    HD2  PHE 113           HD1      PHE 113  -7.721   5.064 -12.709
  846    HE1  PHE 113           HE2      PHE 113 -11.626   5.388  -9.672
  847    HE2  PHE 113           HE1      PHE 113 -10.005   5.263 -13.648
  848    HZ   PHE 113           HZ       PHE 113 -11.962   5.434 -12.136
  849    H    CYS 114           HN       CYS 114  -6.766   4.190  -7.168
  850    HA   CYS 114           HA       CYS 114  -9.450   3.017  -6.771
  851   1HB   CYS 114           HB2      CYS 114  -8.516   1.956  -4.594
  852   2HB   CYS 114           HB1      CYS 114  -8.202   1.123  -6.109
  853    H    LEU 115           HN       LEU 115 -10.391   3.760  -4.653
  854    HA   LEU 115           HA       LEU 115  -9.167   5.576  -2.886
  855   1HB   LEU 115           HB2      LEU 115  -8.850   7.020  -4.881
  856   2HB   LEU 115           HB1      LEU 115 -10.589   6.993  -5.165
  857    HG   LEU 115           HG       LEU 115 -10.622   7.782  -2.605
  858   1HD1  LEU 115          HD11      LEU 115  -8.155   7.688  -2.402
  859   2HD1  LEU 115          HD13      LEU 115  -8.008   8.861  -3.710
  860   3HD1  LEU 115          HD12      LEU 115  -8.753   9.333  -2.183
  861   1HD2  LEU 115          HD23      LEU 115 -11.579   8.957  -4.599
  862   2HD2  LEU 115          HD22      LEU 115 -10.855  10.069  -3.435
  863   3HD2  LEU 115          HD21      LEU 115  -9.988   9.651  -4.913
  864    H    SER 116           HN       SER 116 -12.207   5.946  -4.730
  865    HA   SER 116           HA       SER 116 -13.841   4.694  -2.711
  866   1HB   SER 116           HB2      SER 116 -13.214   7.551  -2.418
  867   2HB   SER 116           HB1      SER 116 -14.942   7.215  -2.452
  868    HG   SER 116           HG       SER 116 -14.707   5.862  -0.729
  869    H    LEU 117           HN       LEU 117 -14.555   7.680  -4.500
  870    HA   LEU 117           HA       LEU 117 -16.185   8.081  -6.143
  871   1HB   LEU 117           HB2      LEU 117 -14.913   5.495  -7.066
  872   2HB   LEU 117           HB1      LEU 117 -16.111   6.357  -8.030
  873    HG   LEU 117           HG       LEU 117 -14.501   8.423  -7.508
  874   1HD1  LEU 117          HD12      LEU 117 -12.878   5.954  -7.021
  875   2HD1  LEU 117          HD11      LEU 117 -12.113   7.308  -7.852
  876   3HD1  LEU 117          HD13      LEU 117 -12.782   7.529  -6.235
  877   1HD2  LEU 117          HD21      LEU 117 -14.874   6.569  -9.667
  878   2HD2  LEU 117          HD23      LEU 117 -14.402   8.267  -9.754
  879   3HD2  LEU 117          HD22      LEU 117 -13.168   7.015  -9.599
  880    H    LEU 118           HN       LEU 118 -16.872   6.281  -3.723
  881    HA   LEU 118           HA       LEU 118 -18.815   5.254  -2.949
  882   1HB   LEU 118           HB2      LEU 118 -19.760   6.431  -5.537
  883   2HB   LEU 118           HB1      LEU 118 -20.795   5.325  -4.643
  884    HG   LEU 118           HG       LEU 118 -20.415   6.760  -2.600
  885   1HD1  LEU 118          HD12      LEU 118 -19.145   8.569  -4.680
  886   2HD1  LEU 118          HD11      LEU 118 -19.556   9.063  -3.038
  887   3HD1  LEU 118          HD13      LEU 118 -18.329   7.824  -3.306
  888   1HD2  LEU 118          HD22      LEU 118 -21.977   7.357  -4.984
  889   2HD2  LEU 118          HD21      LEU 118 -22.440   7.495  -3.287
  890   3HD2  LEU 118          HD23      LEU 118 -21.597   8.825  -4.083
  891    H    GLY 119           HN       GLY 119 -17.238   4.055  -5.750
  892   1HA   GLY 119           HA2      GLY 119 -16.979   1.800  -6.378
  893   2HA   GLY 119           HA1      GLY 119 -18.119   1.361  -5.107
  894    H    ALA 120           HN       ALA 120 -18.745   3.715  -7.678
  895    HA   ALA 120           HA       ALA 120 -20.588   3.791  -9.153
  896   1HB   ALA 120           HB1      ALA 120 -18.778   1.796  -9.863
  897   2HB   ALA 120           HB3      ALA 120 -20.349   1.001  -9.956
  898   3HB   ALA 120           HB2      ALA 120 -20.045   2.464 -10.892
  899    H    GLY 121           HN       GLY 121 -22.020   3.773  -7.141
  900   1HA   GLY 121           HA2      GLY 121 -23.257   1.364  -6.220
  901   2HA   GLY 121           HA1      GLY 121 -23.940   2.982  -6.042
  902    H    GLU 122           HN       GLU 122 -23.641   3.184  -9.121
  903    HA   GLU 122           HA       GLU 122 -25.201   1.305 -10.471
  904   1HB   GLU 122           HB2      GLU 122 -26.763   2.829  -8.556
  905   2HB   GLU 122           HB1      GLU 122 -27.343   3.105 -10.199
  906   1HG   GLU 122           HG2      GLU 122 -26.699   0.289  -9.589
  907   2HG   GLU 122           HG1      GLU 122 -28.047   0.950  -8.662
   
  No H/Q in entry =         907
  Start of MODEL          16
 Raw file had  930 H/Q atoms
  Start of MODEL   16
    1   1H    SER   1           HT2      SER   1 -23.926   8.515   6.061
    2   2H    SER   1           HT1      SER   1 -24.714   7.269   6.911
    3   3H    SER   1           HT3      SER   1 -23.720   8.364   7.743
    4    HA   SER   1           HA       SER   1 -22.500   6.354   7.511
    5   1HB   SER   1           HB2      SER   1 -22.040   5.573   5.108
    6   2HB   SER   1           HB1      SER   1 -23.650   5.254   5.746
    7    HG   SER   1           HG       SER   1 -22.872   7.450   4.115
    8    H    VAL   2           HN       VAL   2 -20.286   6.583   7.404
    9    HA   VAL   2           HA       VAL   2 -19.064   8.591   5.631
   10    HB   VAL   2           HB       VAL   2 -17.776   9.418   7.832
   11   1HG1  VAL   2          HG11      VAL   2 -20.046  10.373   6.257
   12   2HG1  VAL   2          HG13      VAL   2 -20.013  11.067   7.880
   13   3HG1  VAL   2          HG12      VAL   2 -18.617  11.241   6.818
   14   1HG2  VAL   2          HG22      VAL   2 -19.670   7.855   9.053
   15   2HG2  VAL   2          HG21      VAL   2 -18.894   9.243   9.816
   16   3HG2  VAL   2          HG23      VAL   2 -20.475   9.426   9.053
   17    H    GLY   3           HN       GLY   3 -17.594   7.396   8.638
   18   1HA   GLY   3           HA2      GLY   3 -15.735   5.761   6.966
   19   2HA   GLY   3           HA1      GLY   3 -15.303   6.498   8.510
   20    H    THR   4           HN       THR   4 -17.066   3.878   6.979
   21    HA   THR   4           HA       THR   4 -16.636   2.049   9.126
   22    HB   THR   4           HB       THR   4 -18.275   3.432  10.325
   23    HG1  THR   4           HG1      THR   4 -19.017   1.635  11.067
   24   1HG2  THR   4          HG22      THR   4 -19.486   3.617   7.759
   25   2HG2  THR   4          HG21      THR   4 -20.640   2.804   8.817
   26   3HG2  THR   4          HG23      THR   4 -20.006   4.389   9.258
   27    H    SER   5           HN       SER   5 -16.027   1.289   6.838
   28    HA   SER   5           HA       SER   5 -18.328  -0.207   5.649
   29   1HB   SER   5           HB2      SER   5 -17.315   1.758   4.275
   30   2HB   SER   5           HB1      SER   5 -15.945   0.680   4.030
   31    HG   SER   5           HG       SER   5 -17.250   0.143   2.402
   32    H    CYS   6           HN       CYS   6 -17.584  -2.237   4.496
   33    HA   CYS   6           HA       CYS   6 -16.539  -4.332   4.633
   34   1HB   CYS   6           HB2      CYS   6 -13.955  -2.863   5.146
   35   2HB   CYS   6           HB1      CYS   6 -14.223  -4.337   4.215
   36    H    ILE   7           HN       ILE   7 -14.462  -5.346   6.137
   37    HA   ILE   7           HA       ILE   7 -14.961  -4.550   8.946
   38    HB   ILE   7           HB       ILE   7 -16.576  -6.358   8.190
   39   1HG1  ILE   7          HG12      ILE   7 -15.939  -5.880  10.579
   40   2HG1  ILE   7          HG11      ILE   7 -16.481  -7.527  10.285
   41   1HG2  ILE   7          HG23      ILE   7 -14.982  -7.634   6.796
   42   2HG2  ILE   7          HG22      ILE   7 -14.100  -8.100   8.250
   43   3HG2  ILE   7          HG21      ILE   7 -15.759  -8.649   8.011
   44   1HD1  ILE   7          HD13      ILE   7 -13.711  -7.639   9.879
   45   2HD1  ILE   7          HD12      ILE   7 -13.910  -6.581  11.274
   46   3HD1  ILE   7          HD11      ILE   7 -14.586  -8.206  11.298
   47    HA   PRO   8           HA       PRO   8 -10.521  -5.272   8.715
   48   1HB   PRO   8           HB2      PRO   8  -9.900  -4.601  11.312
   49   2HB   PRO   8           HB1      PRO   8 -10.190  -3.415  10.029
   50   1HG   PRO   8           HG2      PRO   8 -11.971  -4.217  12.286
   51   2HG   PRO   8           HG1      PRO   8 -11.880  -2.673  11.422
   52   1HD   PRO   8           HD2      PRO   8 -13.838  -4.651  11.031
   53   2HD   PRO   8           HD1      PRO   8 -13.496  -3.303   9.930
   54    H    GLY   9           HN       GLY   9  -8.941  -6.842   9.599
   55   1HA   GLY   9           HA2      GLY   9  -8.247  -8.728  10.842
   56   2HA   GLY   9           HA1      GLY   9  -9.780  -8.703  11.702
   57    H    MET  10           HN       MET  10 -10.752  -8.514   8.574
   58    HA   MET  10           HA       MET  10 -10.608 -11.442   8.042
   59   1HB   MET  10           HB2      MET  10 -13.133  -9.782   7.798
   60   2HB   MET  10           HB1      MET  10 -12.978 -11.516   7.524
   61   1HG   MET  10           HG2      MET  10 -11.929 -11.136  10.090
   62   2HG   MET  10           HG1      MET  10 -13.338 -10.076  10.031
   63   1HE   MET  10           HE1      MET  10 -11.709 -13.213   9.685
   64   2HE   MET  10           HE3      MET  10 -12.851 -14.457  10.213
   65   3HE   MET  10           HE2      MET  10 -12.744 -14.020   8.510
   66    H    ALA  11           HN       ALA  11  -9.528 -11.447   5.935
   67    HA   ALA  11           HA       ALA  11  -9.384 -11.092   3.613
   68   1HB   ALA  11           HB1      ALA  11 -11.852 -10.291   3.716
   69   2HB   ALA  11           HB3      ALA  11 -11.173  -8.666   3.810
   70   3HB   ALA  11           HB2      ALA  11 -10.843  -9.680   2.405
   71    H    ILE  12           HN       ILE  12  -9.715  -8.016   5.418
   72    HA   ILE  12           HA       ILE  12  -7.084  -7.160   4.331
   73    HB   ILE  12           HB       ILE  12  -9.144  -5.445   5.746
   74   1HG1  ILE  12          HG12      ILE  12  -8.723  -5.683   2.752
   75   2HG1  ILE  12          HG11      ILE  12 -10.010  -6.523   3.615
   76   1HG2  ILE  12          HG22      ILE  12  -6.488  -4.957   5.118
   77   2HG2  ILE  12          HG21      ILE  12  -7.351  -4.234   3.760
   78   3HG2  ILE  12          HG23      ILE  12  -7.714  -3.724   5.408
   79   1HD1  ILE  12          HD13      ILE  12 -10.203  -3.884   4.518
   80   2HD1  ILE  12          HD12      ILE  12  -9.858  -3.727   2.797
   81   3HD1  ILE  12          HD11      ILE  12 -11.254  -4.660   3.334
   82    HA   PRO  13           HA       PRO  13  -6.269  -8.228   8.698
   83   1HB   PRO  13           HB2      PRO  13  -3.629  -8.918   8.388
   84   2HB   PRO  13           HB1      PRO  13  -4.984 -10.022   8.103
   85   1HG   PRO  13           HG2      PRO  13  -3.189  -8.739   6.133
   86   2HG   PRO  13           HG1      PRO  13  -4.237 -10.151   5.933
   87   1HD   PRO  13           HD2      PRO  13  -4.718  -7.458   5.056
   88   2HD   PRO  13           HD1      PRO  13  -5.809  -8.859   4.880
   89    H    HIS  14           HN       HIS  14  -4.515  -7.511  10.271
   90    HA   HIS  14           HA       HIS  14  -4.221  -4.659  10.153
   91   1HB   HIS  14           HB2      HIS  14  -3.007  -6.728  12.029
   92   2HB   HIS  14           HB1      HIS  14  -3.113  -5.009  12.324
   93    HD1  HIS  14           HD1      HIS  14  -5.221  -4.158  13.419
   94    HD2  HIS  14           HD2      HIS  14  -5.696  -7.971  11.810
   95    HE1  HIS  14           HE1      HIS  14  -7.523  -4.962  14.137
   96    H    ASN  15           HN       ASN  15  -2.228  -3.458   9.816
   97    HA   ASN  15           HA       ASN  15  -0.086  -3.024   9.000
   98   1HB   ASN  15           HB2      ASN  15   0.296  -4.973  10.841
   99   2HB   ASN  15           HB1      ASN  15   0.849  -5.825   9.399
  100   1HD2  ASN  15          HD22      ASN  15   3.539  -3.577  11.050
  101   2HD2  ASN  15          HD21      ASN  15   2.353  -4.535  11.795
  102    HA   PRO  16           HA       PRO  16  -1.263  -5.360   5.113
  103   1HB   PRO  16           HB2      PRO  16  -2.402  -3.271   3.760
  104   2HB   PRO  16           HB1      PRO  16  -3.313  -4.353   4.829
  105   1HG   PRO  16           HG2      PRO  16  -2.464  -1.536   5.295
  106   2HG   PRO  16           HG1      PRO  16  -3.821  -2.430   5.997
  107   1HD   PRO  16           HD2      PRO  16  -1.331  -1.890   7.268
  108   2HD   PRO  16           HD1      PRO  16  -2.597  -3.001   7.832
  109    H    LEU  17           HN       LEU  17  -0.181  -5.235   3.116
  110    HA   LEU  17           HA       LEU  17   1.654  -4.782   1.739
  111   1HB   LEU  17           HB2      LEU  17   0.476  -2.031   2.197
  112   2HB   LEU  17           HB1      LEU  17   1.666  -2.394   0.949
  113    HG   LEU  17           HG       LEU  17  -0.227  -4.390   0.583
  114   1HD1  LEU  17          HD12      LEU  17  -1.499  -2.378   2.120
  115   2HD1  LEU  17          HD11      LEU  17  -2.089  -2.179   0.471
  116   3HD1  LEU  17          HD13      LEU  17  -2.260  -3.732   1.288
  117   1HD2  LEU  17          HD23      LEU  17   0.996  -2.603  -0.978
  118   2HD2  LEU  17          HD22      LEU  17  -0.460  -3.441  -1.515
  119   3HD2  LEU  17          HD21      LEU  17  -0.572  -1.800  -0.877
  120    H    ASP  18           HN       ASP  18   2.409  -4.917   4.562
  121    HA   ASP  18           HA       ASP  18   4.227  -2.768   5.222
  122   1HB   ASP  18           HB2      ASP  18   5.259  -4.490   6.797
  123   2HB   ASP  18           HB1      ASP  18   3.530  -4.198   7.025
  124    H    SER  19           HN       SER  19   4.478  -5.710   3.350
  125    HA   SER  19           HA       SER  19   7.337  -5.791   3.060
  126   1HB   SER  19           HB2      SER  19   5.028  -7.193   2.023
  127   2HB   SER  19           HB1      SER  19   6.117  -6.802   0.698
  128    HG   SER  19           HG       SER  19   6.444  -8.490   2.872
  129    H    CYS  20           HN       CYS  20   4.732  -4.070   1.469
  130    HA   CYS  20           HA       CYS  20   6.257  -3.059  -0.756
  131   1HB   CYS  20           HB2      CYS  20   3.775  -1.862   0.479
  132   2HB   CYS  20           HB1      CYS  20   4.358  -1.652  -1.176
  133    H    ARG  21           HN       ARG  21   5.599  -1.988   2.522
  134    HA   ARG  21           HA       ARG  21   6.582   0.676   2.316
  135   1HB   ARG  21           HB2      ARG  21   5.889   0.713   4.470
  136   2HB   ARG  21           HB1      ARG  21   5.547  -1.003   4.349
  137   1HG   ARG  21           HG2      ARG  21   7.694  -1.584   5.264
  138   2HG   ARG  21           HG1      ARG  21   8.288   0.067   5.097
  139   1HD   ARG  21           HD2      ARG  21   6.179   0.592   6.641
  140   2HD   ARG  21           HD1      ARG  21   6.443  -1.081   7.138
  141    HE   ARG  21           HE       ARG  21   8.631   0.958   7.262
  142   1HH1  ARG  21          HH21      ARG  21   7.833  -2.196   8.028
  143   2HH1  ARG  21          HH22      ARG  21   8.303  -2.103   9.693
  144   1HH2  ARG  21          HH11      ARG  21   8.783   1.327   9.649
  145   2HH2  ARG  21          HH12      ARG  21   8.838  -0.114  10.608
  146    H    TRP  22           HN       TRP  22   8.211  -2.299   3.441
  147    HA   TRP  22           HA       TRP  22  10.792  -1.064   3.578
  148   1HB   TRP  22           HB2      TRP  22   9.957  -3.942   3.653
  149   2HB   TRP  22           HB1      TRP  22  11.650  -3.506   3.509
  150    HD1  TRP  22           HD1      TRP  22   9.293  -4.181   6.103
  151    HE1  TRP  22           HE1      TRP  22   9.967  -3.013   8.327
  152    HE3  TRP  22           HE3      TRP  22  12.689  -1.031   4.278
  153    HZ2  TRP  22           HZ2      TRP  22  11.808  -0.908   9.160
  154    HZ3  TRP  22           HZ3      TRP  22  13.936   0.578   5.735
  155    HH2  TRP  22           HH2      TRP  22  13.491   0.629   8.180
  156    H    TYR  23           HN       TYR  23   9.036  -2.529   0.962
  157    HA   TYR  23           HA       TYR  23  11.294  -2.948  -0.782
  158   1HB   TYR  23           HB2      TYR  23   9.128  -4.058  -1.178
  159   2HB   TYR  23           HB1      TYR  23   8.384  -2.500  -1.521
  160    HD1  TYR  23           HD1      TYR  23  11.783  -3.756  -2.532
  161    HD2  TYR  23           HD2      TYR  23   7.832  -2.640  -3.810
  162    HE1  TYR  23           HE1      TYR  23  12.499  -3.919  -4.898
  163    HE2  TYR  23           HE2      TYR  23   8.554  -2.803  -6.174
  164    HH   TYR  23           HH       TYR  23  11.321  -4.341  -7.154
  165    H    VAL  24           HN       VAL  24   9.280  -0.179   0.056
  166    HA   VAL  24           HA       VAL  24  10.279   1.503  -2.121
  167    HB   VAL  24           HB       VAL  24   9.115   2.367   0.548
  168   1HG1  VAL  24          HG11      VAL  24  10.118   3.796  -1.863
  169   2HG1  VAL  24          HG13      VAL  24   8.617   4.406  -1.164
  170   3HG1  VAL  24          HG12      VAL  24  10.080   4.323  -0.181
  171   1HG2  VAL  24          HG21      VAL  24   7.897   1.621  -2.089
  172   2HG2  VAL  24          HG23      VAL  24   7.301   1.309  -0.458
  173   3HG2  VAL  24          HG22      VAL  24   7.157   2.921  -1.151
  174    H    SER  25           HN       SER  25  11.064   0.938   1.306
  175    HA   SER  25           HA       SER  25  13.074   2.861   1.667
  176   1HB   SER  25           HB2      SER  25  13.585   0.136   2.771
  177   2HB   SER  25           HB1      SER  25  13.733   1.708   3.548
  178    HG   SER  25           HG       SER  25  11.834   1.277   4.334
  179    H    THR  26           HN       THR  26  13.325  -0.369   0.187
  180    HA   THR  26           HA       THR  26  16.197  -0.212  -0.247
  181    HB   THR  26           HB       THR  26  14.054  -2.114  -1.245
  182    HG1  THR  26           HG1      THR  26  14.891  -3.427   0.313
  183   1HG2  THR  26          HG23      THR  26  17.063  -2.353  -1.574
  184   2HG2  THR  26          HG22      THR  26  15.885  -3.603  -1.973
  185   3HG2  THR  26          HG21      THR  26  15.909  -2.091  -2.881
  186    H    ARG  27           HN       ARG  27  13.431  -0.106  -2.513
  187    HA   ARG  27           HA       ARG  27  14.912   0.372  -4.875
  188   1HB   ARG  27           HB2      ARG  27  12.083   1.124  -4.104
  189   2HB   ARG  27           HB1      ARG  27  12.733   1.364  -5.726
  190   1HG   ARG  27           HG2      ARG  27  13.104  -1.335  -4.532
  191   2HG   ARG  27           HG1      ARG  27  11.461  -0.894  -4.996
  192   1HD   ARG  27           HD2      ARG  27  12.687  -2.008  -6.855
  193   2HD   ARG  27           HD1      ARG  27  12.211  -0.360  -7.266
  194    HE   ARG  27           HE       ARG  27  14.554   0.323  -6.891
  195   1HH1  ARG  27          HH21      ARG  27  16.373  -0.971  -5.642
  196   2HH1  ARG  27          HH22      ARG  27  16.894  -2.355  -6.543
  197   1HH2  ARG  27          HH11      ARG  27  14.129  -2.363  -8.638
  198   2HH2  ARG  27          HH12      ARG  27  15.622  -3.145  -8.239
  199    H    THR  28           HN       THR  28  14.018   2.531  -2.300
  200    HA   THR  28           HA       THR  28  14.681   4.914  -3.906
  201    HB   THR  28           HB       THR  28  13.695   6.188  -2.032
  202    HG1  THR  28           HG1      THR  28  12.863   5.075  -0.281
  203   1HG2  THR  28          HG22      THR  28  12.032   3.801  -2.863
  204   2HG2  THR  28          HG21      THR  28  11.404   5.314  -2.210
  205   3HG2  THR  28          HG23      THR  28  12.211   5.298  -3.779
  206    H    CYS  29           HN       CYS  29  15.541   3.944  -0.521
  207    HA   CYS  29           HA       CYS  29  18.107   5.403  -0.852
  208   1HB   CYS  29           HB2      CYS  29  16.526   4.533   1.565
  209   2HB   CYS  29           HB1      CYS  29  18.196   5.083   1.697
  210    H    GLY  30           HN       GLY  30  17.373   2.470  -1.647
  211   1HA   GLY  30           HA2      GLY  30  18.496   0.394  -1.715
  212   2HA   GLY  30           HA1      GLY  30  19.949   1.317  -1.338
  213    H    VAL  31           HN       VAL  31  17.329   1.503   0.939
  214    HA   VAL  31           HA       VAL  31  18.871  -0.178   2.867
  215    HB   VAL  31           HB       VAL  31  16.771   1.953   3.405
  216   1HG1  VAL  31          HG11      VAL  31  18.507   0.238   5.186
  217   2HG1  VAL  31          HG13      VAL  31  17.828   1.765   5.747
  218   3HG1  VAL  31          HG12      VAL  31  16.758   0.456   5.246
  219   1HG2  VAL  31          HG21      VAL  31  19.365   2.355   2.542
  220   2HG2  VAL  31          HG23      VAL  31  18.424   3.507   3.488
  221   3HG2  VAL  31          HG22      VAL  31  19.542   2.409   4.296
  222    H    GLY  32           HN       GLY  32  17.530  -1.515   4.371
  223   1HA   GLY  32           HA2      GLY  32  15.042  -2.224   4.687
  224   2HA   GLY  32           HA1      GLY  32  15.157  -2.571   2.959
  225    HA   PRO  33           HA       PRO  33  16.727  -6.276   5.529
  226   1HB   PRO  33           HB2      PRO  33  14.879  -8.149   4.660
  227   2HB   PRO  33           HB1      PRO  33  14.723  -7.214   6.158
  228   1HG   PRO  33           HG2      PRO  33  13.350  -6.813   3.527
  229   2HG   PRO  33           HG1      PRO  33  12.745  -6.527   5.168
  230   1HD   PRO  33           HD2      PRO  33  13.596  -4.526   3.492
  231   2HD   PRO  33           HD1      PRO  33  13.612  -4.408   5.266
  232    H    ARG  34           HN       ARG  34  17.473  -8.452   4.430
  233    HA   ARG  34           HA       ARG  34  18.487  -7.744   1.754
  234   1HB   ARG  34           HB2      ARG  34  20.032  -8.553   3.549
  235   2HB   ARG  34           HB1      ARG  34  19.206 -10.112   3.504
  236   1HG   ARG  34           HG2      ARG  34  19.891 -10.525   1.258
  237   2HG   ARG  34           HG1      ARG  34  20.402  -8.852   1.029
  238   1HD   ARG  34           HD2      ARG  34  21.946  -9.506   3.150
  239   2HD   ARG  34           HD1      ARG  34  21.805 -11.091   2.387
  240    HE   ARG  34           HE       ARG  34  23.398  -8.920   1.402
  241   1HH1  ARG  34          HH11      ARG  34  22.713 -12.052   0.766
  242   2HH1  ARG  34          HH12      ARG  34  22.729 -11.935  -0.962
  243   1HH2  ARG  34          HH21      ARG  34  22.772  -8.467  -0.989
  244   2HH2  ARG  34          HH22      ARG  34  22.762  -9.905  -1.956
  245    H    LEU  35           HN       LEU  35  16.581  -8.065   0.581
  246    HA   LEU  35           HA       LEU  35  16.038 -10.903  -0.124
  247   1HB   LEU  35           HB2      LEU  35  13.927  -8.793   0.451
  248   2HB   LEU  35           HB1      LEU  35  13.597 -10.372  -0.266
  249    HG   LEU  35           HG       LEU  35  15.000 -10.046   2.394
  250   1HD1  LEU  35          HD13      LEU  35  12.675  -9.061   2.386
  251   2HD1  LEU  35          HD12      LEU  35  12.068 -10.656   1.944
  252   3HD1  LEU  35          HD11      LEU  35  12.884 -10.421   3.489
  253   1HD2  LEU  35          HD22      LEU  35  14.271 -12.279   0.649
  254   2HD2  LEU  35          HD21      LEU  35  15.339 -12.257   2.052
  255   3HD2  LEU  35          HD23      LEU  35  13.602 -12.469   2.269
  256    H    ALA  36           HN       ALA  36  16.071 -11.142  -2.332
  257    HA   ALA  36           HA       ALA  36  16.951  -9.160  -4.090
  258   1HB   ALA  36           HB3      ALA  36  16.425 -11.810  -4.347
  259   2HB   ALA  36           HB2      ALA  36  15.093 -11.138  -5.289
  260   3HB   ALA  36           HB1      ALA  36  16.760 -10.752  -5.717
  261    H    THR  37           HN       THR  37  15.876  -7.680  -5.554
  262    HA   THR  37           HA       THR  37  13.504  -6.437  -4.659
  263    HB   THR  37           HB       THR  37  13.478  -5.641  -7.201
  264    HG1  THR  37           HG1      THR  37  14.932  -6.847  -8.172
  265   1HG2  THR  37          HG21      THR  37  14.604  -4.729  -4.804
  266   2HG2  THR  37          HG23      THR  37  15.905  -4.598  -5.989
  267   3HG2  THR  37          HG22      THR  37  14.364  -3.792  -6.277
  268    H    GLN  38           HN       GLN  38  13.808  -8.518  -7.581
  269    HA   GLN  38           HA       GLN  38  11.115  -8.582  -8.310
  270   1HB   GLN  38           HB2      GLN  38  13.451 -10.292  -8.760
  271   2HB   GLN  38           HB1      GLN  38  11.942 -11.201  -8.796
  272   1HG   GLN  38           HG2      GLN  38  11.016  -9.625 -10.445
  273   2HG   GLN  38           HG1      GLN  38  12.512  -8.690 -10.400
  274   1HE2  GLN  38          HE22      GLN  38  12.449 -12.292 -12.367
  275   2HE2  GLN  38          HE21      GLN  38  11.201 -11.907 -11.282
  276    H    GLU  39           HN       GLU  39  12.657 -10.489  -5.758
  277    HA   GLU  39           HA       GLU  39  10.380 -12.183  -5.216
  278   1HB   GLU  39           HB2      GLU  39  12.885 -11.460  -3.706
  279   2HB   GLU  39           HB1      GLU  39  11.627 -12.436  -2.948
  280   1HG   GLU  39           HG2      GLU  39  11.765 -13.859  -5.139
  281   2HG   GLU  39           HG1      GLU  39  13.339 -13.086  -5.334
  282    H    MET  40           HN       MET  40  11.511  -9.086  -3.911
  283    HA   MET  40           HA       MET  40   9.648  -8.853  -1.745
  284   1HB   MET  40           HB2      MET  40  11.783  -7.437  -2.469
  285   2HB   MET  40           HB1      MET  40  10.597  -6.481  -3.331
  286   1HG   MET  40           HG2      MET  40  11.063  -6.725  -0.401
  287   2HG   MET  40           HG1      MET  40  10.589  -5.325  -1.344
  288   1HE   MET  40           HE1      MET  40   9.992  -8.403   0.278
  289   2HE   MET  40           HE3      MET  40   9.012  -7.602   1.516
  290   3HE   MET  40           HE2      MET  40   8.267  -8.735   0.393
  291    H    LYS  41           HN       LYS  41   9.679  -7.452  -5.004
  292    HA   LYS  41           HA       LYS  41   7.129  -6.278  -5.100
  293   1HB   LYS  41           HB2      LYS  41   8.710  -5.861  -6.862
  294   2HB   LYS  41           HB1      LYS  41   8.838  -7.573  -7.245
  295   1HG   LYS  41           HG2      LYS  41   6.097  -6.471  -7.431
  296   2HG   LYS  41           HG1      LYS  41   7.239  -5.806  -8.599
  297   1HD   LYS  41           HD2      LYS  41   7.869  -8.103  -9.279
  298   2HD   LYS  41           HD1      LYS  41   6.693  -8.755  -8.137
  299   1HE   LYS  41           HE2      LYS  41   5.726  -8.685 -10.390
  300   2HE   LYS  41           HE1      LYS  41   4.886  -7.551  -9.334
  301   1HZ   LYS  41           HZ1      LYS  41   7.195  -6.586 -10.861
  302   2HZ   LYS  41           HZ3      LYS  41   5.734  -6.833 -11.688
  303   3HZ   LYS  41           HZ2      LYS  41   5.794  -5.756 -10.374
  304    H    ALA  42           HN       ALA  42   8.098  -9.647  -5.590
  305    HA   ALA  42           HA       ALA  42   5.601 -10.660  -6.560
  306   1HB   ALA  42           HB1      ALA  42   8.049 -11.749  -6.221
  307   2HB   ALA  42           HB3      ALA  42   7.249 -12.391  -4.785
  308   3HB   ALA  42           HB2      ALA  42   6.591 -12.729  -6.387
  309    H    ARG  43           HN       ARG  43   6.944 -10.324  -3.285
  310    HA   ARG  43           HA       ARG  43   4.802 -11.525  -1.843
  311   1HB   ARG  43           HB2      ARG  43   7.060  -9.709  -1.212
  312   2HB   ARG  43           HB1      ARG  43   5.699  -9.643  -0.092
  313   1HG   ARG  43           HG2      ARG  43   6.775 -11.416   0.875
  314   2HG   ARG  43           HG1      ARG  43   5.927 -12.327  -0.375
  315   1HD   ARG  43           HD2      ARG  43   7.883 -12.134  -1.858
  316   2HD   ARG  43           HD1      ARG  43   8.732 -11.203  -0.623
  317    HE   ARG  43           HE       ARG  43   8.478 -14.078  -0.676
  318   1HH1  ARG  43          HH21      ARG  43  10.089 -11.704   0.883
  319   2HH1  ARG  43          HH22      ARG  43  10.001 -12.386   2.473
  320   1HH2  ARG  43          HH11      ARG  43   7.679 -14.806   1.593
  321   2HH2  ARG  43          HH12      ARG  43   8.635 -14.142   2.875
  322    H    CYS  44           HN       CYS  44   5.366  -8.083  -2.674
  323    HA   CYS  44           HA       CYS  44   3.030  -7.026  -1.448
  324   1HB   CYS  44           HB2      CYS  44   4.737  -6.084  -3.719
  325   2HB   CYS  44           HB1      CYS  44   3.229  -5.256  -3.304
  326    H    CYS  45           HN       CYS  45   3.497  -8.508  -4.669
  327    HA   CYS  45           HA       CYS  45   0.886  -7.714  -5.679
  328   1HB   CYS  45           HB2      CYS  45   2.981  -9.679  -6.591
  329   2HB   CYS  45           HB1      CYS  45   1.391  -9.661  -7.340
  330    H    ARG  46           HN       ARG  46   2.142 -10.403  -3.823
  331    HA   ARG  46           HA       ARG  46  -0.177 -12.114  -4.199
  332   1HB   ARG  46           HB2      ARG  46   2.253 -12.700  -3.404
  333   2HB   ARG  46           HB1      ARG  46   1.656 -12.282  -1.813
  334   1HG   ARG  46           HG2      ARG  46   1.115 -14.524  -1.836
  335   2HG   ARG  46           HG1      ARG  46  -0.366 -13.845  -2.510
  336   1HD   ARG  46           HD2      ARG  46   0.233 -14.425  -4.721
  337   2HD   ARG  46           HD1      ARG  46   1.927 -14.660  -4.291
  338    HE   ARG  46           HE       ARG  46   1.367 -16.813  -3.403
  339   1HH1  ARG  46          HH11      ARG  46  -1.361 -15.622  -2.381
  340   2HH1  ARG  46          HH12      ARG  46  -2.457 -16.667  -3.221
  341   1HH2  ARG  46          HH21      ARG  46  -0.042 -17.896  -5.385
  342   2HH2  ARG  46          HH22      ARG  46  -1.710 -17.955  -4.923
  343    H    GLN  47           HN       GLN  47   0.827  -9.642  -1.883
  344    HA   GLN  47           HA       GLN  47  -1.414 -10.161  -0.056
  345   1HB   GLN  47           HB2      GLN  47   0.429  -7.755  -0.209
  346   2HB   GLN  47           HB1      GLN  47  -0.626  -8.178   1.138
  347   1HG   GLN  47           HG2      GLN  47   0.840 -10.510   0.710
  348   2HG   GLN  47           HG1      GLN  47   2.020  -9.227   0.452
  349   1HE2  GLN  47          HE22      GLN  47   2.023  -8.170   3.853
  350   2HE2  GLN  47          HE21      GLN  47   2.445  -7.745   2.265
  351    H    LEU  48           HN       LEU  48  -0.695  -7.894  -2.638
  352    HA   LEU  48           HA       LEU  48  -2.956  -6.171  -2.277
  353   1HB   LEU  48           HB2      LEU  48  -0.799  -5.654  -3.530
  354   2HB   LEU  48           HB1      LEU  48  -1.428  -6.636  -4.851
  355    HG   LEU  48           HG       LEU  48  -3.367  -4.678  -3.842
  356   1HD1  LEU  48          HD12      LEU  48  -0.744  -3.758  -5.030
  357   2HD1  LEU  48          HD11      LEU  48  -2.204  -2.768  -5.011
  358   3HD1  LEU  48          HD13      LEU  48  -1.457  -3.264  -3.492
  359   1HD2  LEU  48          HD21      LEU  48  -2.316  -5.698  -6.452
  360   2HD2  LEU  48          HD23      LEU  48  -3.979  -5.631  -5.868
  361   3HD2  LEU  48          HD22      LEU  48  -3.184  -4.163  -6.437
  362    H    GLU  49           HN       GLU  49  -2.359  -9.057  -4.277
  363    HA   GLU  49           HA       GLU  49  -4.965  -8.867  -5.588
  364   1HB   GLU  49           HB2      GLU  49  -2.994  -9.977  -6.668
  365   2HB   GLU  49           HB1      GLU  49  -3.050 -11.229  -5.429
  366   1HG   GLU  49           HG2      GLU  49  -5.689 -10.950  -6.515
  367   2HG   GLU  49           HG1      GLU  49  -4.558 -11.074  -7.861
  368    H    ALA  50           HN       ALA  50  -3.526 -10.789  -2.949
  369    HA   ALA  50           HA       ALA  50  -5.718 -12.483  -2.325
  370   1HB   ALA  50           HB1      ALA  50  -3.445 -11.314  -0.764
  371   2HB   ALA  50           HB3      ALA  50  -4.776 -12.031   0.143
  372   3HB   ALA  50           HB2      ALA  50  -3.875 -13.005  -1.017
  373    H    ILE  51           HN       ILE  51  -5.031  -9.146  -1.529
  374    HA   ILE  51           HA       ILE  51  -7.528  -8.753  -0.016
  375    HB   ILE  51           HB       ILE  51  -5.444  -6.734  -0.924
  376   1HG1  ILE  51          HG12      ILE  51  -5.779  -7.843   1.863
  377   2HG1  ILE  51          HG11      ILE  51  -4.742  -8.650   0.688
  378   1HG2  ILE  51          HG22      ILE  51  -7.704  -5.820  -0.379
  379   2HG2  ILE  51          HG21      ILE  51  -7.591  -6.568   1.214
  380   3HG2  ILE  51          HG23      ILE  51  -6.468  -5.287   0.762
  381   1HD1  ILE  51          HD12      ILE  51  -3.586  -6.415   0.338
  382   2HD1  ILE  51          HD11      ILE  51  -4.487  -5.820   1.733
  383   3HD1  ILE  51          HD13      ILE  51  -3.337  -7.142   1.925
  384    HA   PRO  52           HA       PRO  52  -9.263  -8.214  -4.187
  385   1HB   PRO  52           HB2      PRO  52 -11.887  -7.922  -3.371
  386   2HB   PRO  52           HB1      PRO  52 -11.090  -9.482  -3.650
  387   1HG   PRO  52           HG2      PRO  52 -11.666  -8.095  -1.051
  388   2HG   PRO  52           HG1      PRO  52 -11.649  -9.830  -1.419
  389   1HD   PRO  52           HD2      PRO  52  -9.583  -8.536  -0.113
  390   2HD   PRO  52           HD1      PRO  52  -9.366 -10.015  -1.074
  391    H    ALA  53           HN       ALA  53  -9.710  -6.400  -5.355
  392    HA   ALA  53           HA       ALA  53  -9.008  -3.854  -4.586
  393   1HB   ALA  53           HB1      ALA  53  -9.932  -4.955  -6.877
  394   2HB   ALA  53           HB3      ALA  53 -11.300  -3.929  -6.448
  395   3HB   ALA  53           HB2      ALA  53  -9.696  -3.222  -6.651
  396    H    TYR  54           HN       TYR  54 -12.126  -5.387  -3.973
  397    HA   TYR  54           HA       TYR  54 -13.500  -2.957  -3.158
  398   1HB   TYR  54           HB2      TYR  54 -14.216  -5.663  -3.556
  399   2HB   TYR  54           HB1      TYR  54 -14.497  -5.361  -1.842
  400    HD1  TYR  54           HD1      TYR  54 -15.478  -2.782  -1.494
  401    HD2  TYR  54           HD2      TYR  54 -16.097  -5.344  -4.885
  402    HE1  TYR  54           HE1      TYR  54 -17.547  -1.536  -2.056
  403    HE2  TYR  54           HE2      TYR  54 -18.168  -4.099  -5.447
  404    HH   TYR  54           HH       TYR  54 -19.894  -2.561  -3.794
  405    H    CYS  55           HN       CYS  55 -12.692  -1.806  -1.510
  406    HA   CYS  55           HA       CYS  55 -12.221  -1.277   0.750
  407   1HB   CYS  55           HB2      CYS  55 -11.774  -4.217   1.324
  408   2HB   CYS  55           HB1      CYS  55 -11.997  -2.912   2.481
  409    H    ARG  56           HN       ARG  56 -10.336  -3.136  -1.437
  410    HA   ARG  56           HA       ARG  56  -7.856  -3.513  -0.285
  411   1HB   ARG  56           HB2      ARG  56  -8.357  -4.119  -2.598
  412   2HB   ARG  56           HB1      ARG  56  -8.457  -2.423  -3.055
  413   1HG   ARG  56           HG2      ARG  56  -6.247  -2.476  -3.499
  414   2HG   ARG  56           HG1      ARG  56  -5.951  -2.712  -1.782
  415   1HD   ARG  56           HD2      ARG  56  -4.896  -4.577  -2.720
  416   2HD   ARG  56           HD1      ARG  56  -6.458  -5.208  -2.249
  417    HE   ARG  56           HE       ARG  56  -6.427  -5.907  -4.545
  418   1HH1  ARG  56          HH21      ARG  56  -4.447  -3.245  -4.685
  419   2HH1  ARG  56          HH22      ARG  56  -5.092  -2.602  -6.157
  420   1HH2  ARG  56          HH11      ARG  56  -7.804  -4.754  -6.222
  421   2HH2  ARG  56          HH12      ARG  56  -6.997  -3.441  -7.007
  422    H    CYS  57           HN       CYS  57  -8.106  -0.630  -2.391
  423    HA   CYS  57           HA       CYS  57  -6.120   0.966  -1.716
  424   1HB   CYS  57           HB2      CYS  57  -9.004   1.855  -1.759
  425   2HB   CYS  57           HB1      CYS  57  -7.634   2.966  -1.827
  426    H    GLU  58           HN       GLU  58  -8.840   0.680   0.658
  427    HA   GLU  58           HA       GLU  58  -8.214   2.551   2.566
  428   1HB   GLU  58           HB2      GLU  58  -8.985  -0.347   2.965
  429   2HB   GLU  58           HB1      GLU  58  -8.930   0.824   4.285
  430   1HG   GLU  58           HG2      GLU  58 -10.540   1.239   1.753
  431   2HG   GLU  58           HG1      GLU  58 -11.211   0.550   3.232
  432    H    ALA  59           HN       ALA  59  -6.716  -0.730   2.599
  433    HA   ALA  59           HA       ALA  59  -4.950  -0.606   4.665
  434   1HB   ALA  59           HB1      ALA  59  -4.871  -1.871   2.004
  435   2HB   ALA  59           HB3      ALA  59  -3.315  -1.759   2.829
  436   3HB   ALA  59           HB2      ALA  59  -4.665  -2.592   3.599
  437    H    VAL  60           HN       VAL  60  -4.276   0.877   1.507
  438    HA   VAL  60           HA       VAL  60  -1.634   1.793   2.051
  439    HB   VAL  60           HB       VAL  60  -3.717   3.181   0.330
  440   1HG1  VAL  60          HG11      VAL  60  -1.645   4.475   0.797
  441   2HG1  VAL  60          HG13      VAL  60  -0.689   3.129   0.175
  442   3HG1  VAL  60          HG12      VAL  60  -1.770   4.013  -0.900
  443   1HG2  VAL  60          HG23      VAL  60  -3.022   0.583   0.026
  444   2HG2  VAL  60          HG22      VAL  60  -3.353   1.646  -1.342
  445   3HG2  VAL  60          HG21      VAL  60  -1.688   1.341  -0.843
  446    H    ARG  61           HN       ARG  61  -4.758   3.460   2.404
  447    HA   ARG  61           HA       ARG  61  -3.797   5.863   3.599
  448   1HB   ARG  61           HB2      ARG  61  -6.420   4.452   3.413
  449   2HB   ARG  61           HB1      ARG  61  -6.259   5.676   4.672
  450   1HG   ARG  61           HG2      ARG  61  -5.116   6.693   2.223
  451   2HG   ARG  61           HG1      ARG  61  -6.739   6.087   1.895
  452   1HD   ARG  61           HD2      ARG  61  -7.150   7.417   4.249
  453   2HD   ARG  61           HD1      ARG  61  -5.887   8.407   3.516
  454    HE   ARG  61           HE       ARG  61  -7.385   8.854   1.653
  455   1HH1  ARG  61          HH11      ARG  61  -9.143   6.832   1.056
  456   2HH1  ARG  61          HH12      ARG  61 -10.587   7.127   1.964
  457   1HH2  ARG  61          HH21      ARG  61  -9.062   9.302   4.192
  458   2HH2  ARG  61          HH22      ARG  61 -10.542   8.525   3.739
  459    H    ILE  62           HN       ILE  62  -4.297   2.656   4.873
  460    HA   ILE  62           HA       ILE  62  -4.323   3.422   7.688
  461    HB   ILE  62           HB       ILE  62  -3.902   0.757   6.287
  462   1HG1  ILE  62          HG12      ILE  62  -6.123   1.740   5.901
  463   2HG1  ILE  62          HG11      ILE  62  -6.240   0.317   6.931
  464   1HG2  ILE  62          HG21      ILE  62  -3.794   1.517   9.130
  465   2HG2  ILE  62          HG23      ILE  62  -4.816   0.125   8.772
  466   3HG2  ILE  62          HG22      ILE  62  -3.115   0.115   8.307
  467   1HD1  ILE  62          HD13      ILE  62  -5.840   2.643   8.583
  468   2HD1  ILE  62          HD12      ILE  62  -7.183   2.935   7.484
  469   3HD1  ILE  62          HD11      ILE  62  -7.208   1.535   8.554
  470    H    LEU  63           HN       LEU  63  -1.874   2.559   5.325
  471    HA   LEU  63           HA       LEU  63   0.177   2.157   7.344
  472   1HB   LEU  63           HB2      LEU  63   0.317   1.023   5.141
  473   2HB   LEU  63           HB1      LEU  63   0.448   2.592   4.350
  474    HG   LEU  63           HG       LEU  63   2.418   2.398   6.472
  475   1HD1  LEU  63          HD13      LEU  63   1.997  -0.030   4.875
  476   2HD1  LEU  63          HD12      LEU  63   3.641   0.597   4.753
  477   3HD1  LEU  63          HD11      LEU  63   2.962   0.205   6.332
  478   1HD2  LEU  63          HD23      LEU  63   2.627   2.586   3.448
  479   2HD2  LEU  63          HD22      LEU  63   2.553   3.944   4.570
  480   3HD2  LEU  63          HD21      LEU  63   3.956   2.875   4.571
  481    H    MET  64           HN       MET  64  -0.761   4.789   5.165
  482    HA   MET  64           HA       MET  64   1.405   6.510   6.091
  483   1HB   MET  64           HB2      MET  64   0.408   6.734   3.822
  484   2HB   MET  64           HB1      MET  64  -1.126   7.212   4.544
  485   1HG   MET  64           HG2      MET  64   1.110   8.790   5.578
  486   2HG   MET  64           HG1      MET  64   0.940   8.935   3.827
  487   1HE   MET  64           HE3      MET  64   0.945  11.045   5.596
  488   2HE   MET  64           HE2      MET  64  -0.009  11.873   4.367
  489   3HE   MET  64           HE1      MET  64  -0.552  11.874   6.043
  490    H    ASP  65           HN       ASP  65  -2.159   6.549   6.532
  491    HA   ASP  65           HA       ASP  65  -1.927   8.601   8.602
  492   1HB   ASP  65           HB2      ASP  65  -4.335   7.243   7.344
  493   2HB   ASP  65           HB1      ASP  65  -4.487   8.145   8.851
  494    H    GLY  66           HN       GLY  66  -2.029   5.120   8.592
  495   1HA   GLY  66           HA2      GLY  66  -1.578   3.707  10.453
  496   2HA   GLY  66           HA1      GLY  66  -1.708   5.106  11.514
  497    H    VAL  67           HN       VAL  67  -2.974   2.373  11.641
  498    HA   VAL  67           HA       VAL  67  -5.856   3.204  11.744
  499    HB   VAL  67           HB       VAL  67  -5.522   1.452  10.095
  500   1HG1  VAL  67          HG12      VAL  67  -4.207  -0.042  12.376
  501   2HG1  VAL  67          HG11      VAL  67  -4.641  -0.781  10.835
  502   3HG1  VAL  67          HG13      VAL  67  -3.433   0.503  10.889
  503   1HG2  VAL  67          HG23      VAL  67  -7.554   1.371  11.571
  504   2HG2  VAL  67          HG22      VAL  67  -7.090  -0.197  10.911
  505   3HG2  VAL  67          HG21      VAL  67  -6.705   0.204  12.583
  506    H    VAL  68           HN       VAL  68  -7.126   2.211  13.476
  507    HA   VAL  68           HA       VAL  68  -5.477   1.597  15.885
  508    HB   VAL  68           HB       VAL  68  -8.123   3.071  15.677
  509   1HG1  VAL  68          HG13      VAL  68  -6.631   2.146  18.165
  510   2HG1  VAL  68          HG12      VAL  68  -8.036   3.210  18.160
  511   3HG1  VAL  68          HG11      VAL  68  -8.194   1.539  17.620
  512   1HG2  VAL  68          HG22      VAL  68  -5.278   3.765  16.240
  513   2HG2  VAL  68          HG21      VAL  68  -6.516   4.702  15.405
  514   3HG2  VAL  68          HG23      VAL  68  -6.511   4.621  17.167
  515    H    THR  69           HN       THR  69  -6.435   0.120  17.383
  516    HA   THR  69           HA       THR  69  -8.210  -1.899  16.117
  517    HB   THR  69           HB       THR  69  -7.008  -3.557  17.584
  518    HG1  THR  69           HG1      THR  69  -5.355  -2.911  18.755
  519   1HG2  THR  69          HG23      THR  69  -6.383  -2.687  15.109
  520   2HG2  THR  69          HG22      THR  69  -4.881  -2.287  15.944
  521   3HG2  THR  69          HG21      THR  69  -5.471  -3.950  15.936
  522    H    SER  70           HN       SER  70  -9.503  -3.123  17.613
  523    HA   SER  70           HA       SER  70 -11.023  -1.509  19.385
  524   1HB   SER  70           HB2      SER  70 -11.800  -3.585  18.168
  525   2HB   SER  70           HB1      SER  70 -10.902  -4.528  19.357
  526    HG   SER  70           HG       SER  70 -13.290  -3.175  19.584
  527    H    SER  71           HN       SER  71  -8.400  -3.724  19.899
  528    HA   SER  71           HA       SER  71  -8.549  -3.967  22.745
  529   1HB   SER  71           HB2      SER  71  -6.040  -4.469  22.501
  530   2HB   SER  71           HB1      SER  71  -7.147  -5.516  21.618
  531    HG   SER  71           HG       SER  71  -6.195  -4.868  19.872
  532    H    GLY  72           HN       GLY  72  -7.564  -1.340  20.715
  533   1HA   GLY  72           HA2      GLY  72  -7.298   0.916  21.635
  534   2HA   GLY  72           HA1      GLY  72  -6.697   0.176  23.122
  535    H    GLN  73           HN       GLN  73  -5.437  -1.365  20.298
  536    HA   GLN  73           HA       GLN  73  -2.815  -0.004  20.764
  537   1HB   GLN  73           HB2      GLN  73  -3.524  -2.673  19.508
  538   2HB   GLN  73           HB1      GLN  73  -1.889  -2.015  19.556
  539   1HG   GLN  73           HG2      GLN  73  -3.259  -1.982  22.169
  540   2HG   GLN  73           HG1      GLN  73  -3.008  -3.601  21.518
  541   1HE2  GLN  73          HE22      GLN  73   0.169  -1.467  22.879
  542   2HE2  GLN  73          HE21      GLN  73  -1.398  -0.815  22.899
  543    H    HIS  74           HN       HIS  74  -1.516   0.551  18.825
  544    HA   HIS  74           HA       HIS  74  -3.237   1.191  16.463
  545   1HB   HIS  74           HB2      HIS  74  -0.918   2.606  17.748
  546   2HB   HIS  74           HB1      HIS  74  -1.336   2.908  16.080
  547    HD1  HIS  74           HD1      HIS  74  -2.327   5.222  16.271
  548    HD2  HIS  74           HD2      HIS  74  -4.027   2.553  18.983
  549    HE1  HIS  74           HE1      HIS  74  -4.283   6.429  17.335
  550    H    GLU  75           HN       GLU  75  -2.198   1.012  14.390
  551    HA   GLU  75           HA       GLU  75   0.322  -0.528  14.278
  552   1HB   GLU  75           HB2      GLU  75  -2.197  -1.342  12.812
  553   2HB   GLU  75           HB1      GLU  75  -0.623  -2.126  12.688
  554   1HG   GLU  75           HG2      GLU  75  -2.119  -1.845  15.302
  555   2HG   GLU  75           HG1      GLU  75  -2.253  -3.261  14.262
  556    H    GLY  76           HN       GLY  76   0.798  -0.879  11.743
  557   1HA   GLY  76           HA2      GLY  76   1.575   0.248   9.836
  558   2HA   GLY  76           HA1      GLY  76  -0.040   0.959   9.790
  559    H    ARG  77           HN       ARG  77   0.735   3.005   9.154
  560    HA   ARG  77           HA       ARG  77   1.485   5.201   9.507
  561   1HB   ARG  77           HB2      ARG  77   0.173   4.442  11.784
  562   2HB   ARG  77           HB1      ARG  77   1.748   4.903  12.431
  563   1HG   ARG  77           HG2      ARG  77   1.587   7.082  11.289
  564   2HG   ARG  77           HG1      ARG  77   0.020   6.622  10.624
  565   1HD   ARG  77           HD2      ARG  77  -0.472   7.931  12.554
  566   2HD   ARG  77           HD1      ARG  77  -0.736   6.258  13.042
  567    HE   ARG  77           HE       ARG  77   1.433   6.343  14.222
  568   1HH1  ARG  77          HH21      ARG  77   1.892   8.975  12.416
  569   2HH1  ARG  77          HH22      ARG  77   2.065  10.123  13.702
  570   1HH2  ARG  77          HH11      ARG  77   0.905   7.957  16.148
  571   2HH2  ARG  77          HH12      ARG  77   1.507   9.547  15.814
  572    H    LEU  78           HN       LEU  78   3.468   2.756   9.575
  573    HA   LEU  78           HA       LEU  78   5.706   3.733  11.161
  574   1HB   LEU  78           HB2      LEU  78   5.638   1.611   8.994
  575   2HB   LEU  78           HB1      LEU  78   6.933   1.864  10.165
  576    HG   LEU  78           HG       LEU  78   4.070   1.252  10.945
  577   1HD1  LEU  78          HD12      LEU  78   6.391  -0.523  10.302
  578   2HD1  LEU  78          HD11      LEU  78   5.324  -0.986  11.624
  579   3HD1  LEU  78          HD13      LEU  78   4.674  -0.777   9.997
  580   1HD2  LEU  78          HD23      LEU  78   6.667   1.667  12.381
  581   2HD2  LEU  78          HD22      LEU  78   5.047   2.207  12.823
  582   3HD2  LEU  78          HD21      LEU  78   5.507   0.519  13.053
  583    H    LEU  79           HN       LEU  79   4.448   4.395   8.009
  584    HA   LEU  79           HA       LEU  79   6.704   5.036   6.473
  585   1HB   LEU  79           HB2      LEU  79   4.737   5.193   5.273
  586   2HB   LEU  79           HB1      LEU  79   3.842   5.869   6.621
  587    HG   LEU  79           HG       LEU  79   5.914   7.670   5.489
  588   1HD1  LEU  79          HD12      LEU  79   4.921   6.442   3.483
  589   2HD1  LEU  79          HD11      LEU  79   3.374   7.160   3.925
  590   3HD1  LEU  79          HD13      LEU  79   4.729   8.194   3.478
  591   1HD2  LEU  79          HD22      LEU  79   3.820   7.934   7.201
  592   2HD2  LEU  79          HD21      LEU  79   4.448   9.273   6.244
  593   3HD2  LEU  79          HD23      LEU  79   3.034   8.383   5.689
  594    H    GLN  80           HN       GLN  80   8.392   6.010   7.572
  595    HA   GLN  80           HA       GLN  80   7.965   8.816   8.479
  596   1HB   GLN  80           HB2      GLN  80   9.427   6.667  10.045
  597   2HB   GLN  80           HB1      GLN  80   9.420   8.382  10.455
  598   1HG   GLN  80           HG2      GLN  80   6.763   7.986  10.237
  599   2HG   GLN  80           HG1      GLN  80   7.253   6.362  10.726
  600   1HE2  GLN  80          HE22      GLN  80   7.850   7.299  14.067
  601   2HE2  GLN  80          HE21      GLN  80   7.712   6.047  12.930
  602    H    ASP  81           HN       ASP  81  10.181   9.846   8.896
  603    HA   ASP  81           HA       ASP  81  11.705   9.758   6.492
  604   1HB   ASP  81           HB2      ASP  81  12.407  10.962   9.193
  605   2HB   ASP  81           HB1      ASP  81  13.268  11.267   7.680
  606    H    LEU  82           HN       LEU  82  12.709   7.921   6.010
  607    HA   LEU  82           HA       LEU  82  14.287   6.339   7.910
  608   1HB   LEU  82           HB2      LEU  82  13.546   6.160   4.992
  609   2HB   LEU  82           HB1      LEU  82  14.840   5.153   5.608
  610    HG   LEU  82           HG       LEU  82  12.066   5.269   6.824
  611   1HD1  LEU  82          HD13      LEU  82  13.229   3.627   4.620
  612   2HD1  LEU  82          HD12      LEU  82  12.193   2.800   5.785
  613   3HD1  LEU  82          HD11      LEU  82  11.568   4.167   4.863
  614   1HD2  LEU  82          HD22      LEU  82  14.596   3.783   7.405
  615   2HD2  LEU  82          HD21      LEU  82  13.378   4.400   8.521
  616   3HD2  LEU  82          HD23      LEU  82  13.075   2.917   7.615
  617    HA   PRO  83           HA       PRO  83  18.155   8.287   7.129
  618   1HB   PRO  83           HB2      PRO  83  19.903   6.308   6.309
  619   2HB   PRO  83           HB1      PRO  83  19.410   6.585   7.989
  620   1HG   PRO  83           HG2      PRO  83  18.480   4.479   6.075
  621   2HG   PRO  83           HG1      PRO  83  18.647   4.401   7.838
  622   1HD   PRO  83           HD2      PRO  83  16.235   4.722   6.529
  623   2HD   PRO  83           HD1      PRO  83  16.517   5.227   8.201
  624    H    GLY  84           HN       GLY  84  17.765   9.661   5.480
  625   1HA   GLY  84           HA2      GLY  84  18.443  10.601   3.409
  626   2HA   GLY  84           HA1      GLY  84  18.868   8.994   2.816
  627    H    CYS  85           HN       CYS  85  15.846   8.448   4.094
  628    HA   CYS  85           HA       CYS  85  14.513   9.234   1.548
  629   1HB   CYS  85           HB2      CYS  85  14.340   6.718   3.141
  630   2HB   CYS  85           HB1      CYS  85  12.928   7.248   2.227
  631    HA   PRO  86           HA       PRO  86  12.275  11.463   4.892
  632   1HB   PRO  86           HB2      PRO  86  11.364  13.506   3.266
  633   2HB   PRO  86           HB1      PRO  86  12.905  13.539   4.111
  634   1HG   PRO  86           HG2      PRO  86  12.356  13.046   1.230
  635   2HG   PRO  86           HG1      PRO  86  13.803  13.729   1.991
  636   1HD   PRO  86           HD2      PRO  86  13.576  11.119   1.023
  637   2HD   PRO  86           HD1      PRO  86  14.808  11.665   2.180
  638    H    ARG  87           HN       ARG  87   9.919  12.012   5.110
  639    HA   ARG  87           HA       ARG  87   8.102  10.098   4.239
  640   1HB   ARG  87           HB2      ARG  87   7.555  13.045   4.722
  641   2HB   ARG  87           HB1      ARG  87   6.357  11.763   4.751
  642   1HG   ARG  87           HG2      ARG  87   8.534  11.050   6.493
  643   2HG   ARG  87           HG1      ARG  87   7.988  12.679   6.887
  644   1HD   ARG  87           HD2      ARG  87   5.992  10.464   6.480
  645   2HD   ARG  87           HD1      ARG  87   6.797  10.660   8.034
  646    HE   ARG  87           HE       ARG  87   4.675  12.331   7.024
  647   1HH1  ARG  87          HH11      ARG  87   6.277  11.763   9.789
  648   2HH1  ARG  87          HH12      ARG  87   6.479  13.411  10.282
  649   1HH2  ARG  87          HH21      ARG  87   5.508  14.723   7.224
  650   2HH2  ARG  87          HH22      ARG  87   6.044  15.087   8.830
  651    H    GLN  88           HN       GLN  88   9.283  12.967   2.608
  652    HA   GLN  88           HA       GLN  88   7.330  13.371   0.605
  653   1HB   GLN  88           HB2      GLN  88   9.438  14.743   1.138
  654   2HB   GLN  88           HB1      GLN  88  10.284  13.631   0.063
  655   1HG   GLN  88           HG2      GLN  88   7.873  14.456  -1.251
  656   2HG   GLN  88           HG1      GLN  88   8.674  15.897  -0.640
  657   1HE2  GLN  88          HE22      GLN  88  10.074  15.127  -4.030
  658   2HE2  GLN  88          HE21      GLN  88   8.526  15.476  -3.425
  659    H    VAL  89           HN       VAL  89  10.215  11.254   0.406
  660    HA   VAL  89           HA       VAL  89   9.768  10.305  -2.238
  661    HB   VAL  89           HB       VAL  89  11.140   9.009   0.131
  662   1HG1  VAL  89          HG13      VAL  89  10.678   8.103  -2.603
  663   2HG1  VAL  89          HG12      VAL  89  12.401   8.258  -2.263
  664   3HG1  VAL  89          HG11      VAL  89  11.391   7.230  -1.248
  665   1HG2  VAL  89          HG23      VAL  89  11.845  11.324  -0.623
  666   2HG2  VAL  89          HG22      VAL  89  13.102  10.092  -0.619
  667   3HG2  VAL  89          HG21      VAL  89  12.342  10.573  -2.135
  668    H    GLN  90           HN       GLN  90   8.669   9.240   0.909
  669    HA   GLN  90           HA       GLN  90   7.431   6.774   0.084
  670   1HB   GLN  90           HB2      GLN  90   6.309   8.451   2.325
  671   2HB   GLN  90           HB1      GLN  90   6.409   6.699   2.207
  672   1HG   GLN  90           HG2      GLN  90   8.707   8.618   2.708
  673   2HG   GLN  90           HG1      GLN  90   8.030   7.460   3.842
  674   1HE2  GLN  90          HE22      GLN  90  11.103   6.164   1.880
  675   2HE2  GLN  90          HE21      GLN  90  10.808   7.727   2.473
  676    H    ARG  91           HN       ARG  91   6.457  10.138   0.013
  677    HA   ARG  91           HA       ARG  91   3.654   9.595  -0.589
  678   1HB   ARG  91           HB2      ARG  91   5.184  11.862   0.155
  679   2HB   ARG  91           HB1      ARG  91   4.503  12.231  -1.430
  680   1HG   ARG  91           HG2      ARG  91   2.923  12.928   0.288
  681   2HG   ARG  91           HG1      ARG  91   2.255  11.541  -0.570
  682   1HD   ARG  91           HD2      ARG  91   3.834  10.540   1.595
  683   2HD   ARG  91           HD1      ARG  91   2.777  11.798   2.233
  684    HE   ARG  91           HE       ARG  91   1.911   9.231   1.070
  685   1HH1  ARG  91          HH21      ARG  91   0.920  12.515   1.522
  686   2HH1  ARG  91          HH22      ARG  91  -0.690  12.089   1.993
  687   1HH2  ARG  91          HH11      ARG  91  -0.126   8.676   1.926
  688   2HH2  ARG  91          HH12      ARG  91  -1.281   9.935   2.214
  689    H    ALA  92           HN       ALA  92   6.606  10.033  -2.442
  690    HA   ALA  92           HA       ALA  92   5.292  10.513  -4.993
  691   1HB   ALA  92           HB1      ALA  92   8.043  10.152  -4.001
  692   2HB   ALA  92           HB3      ALA  92   7.780   9.524  -5.629
  693   3HB   ALA  92           HB2      ALA  92   7.435  11.216  -5.270
  694    H    PHE  93           HN       PHE  93   6.803   7.668  -3.478
  695    HA   PHE  93           HA       PHE  93   6.076   5.873  -5.649
  696   1HB   PHE  93           HB2      PHE  93   8.094   5.450  -4.356
  697   2HB   PHE  93           HB1      PHE  93   7.163   5.356  -2.865
  698    HD1  PHE  93           HD2      PHE  93   5.494   3.478  -2.559
  699    HD2  PHE  93           HD1      PHE  93   8.291   3.580  -5.817
  700    HE1  PHE  93           HE2      PHE  93   5.133   1.058  -2.945
  701    HE2  PHE  93           HE1      PHE  93   7.931   1.159  -6.202
  702    HZ   PHE  93           HZ       PHE  93   6.355  -0.102  -4.766
  703    H    ALA  94           HN       ALA  94   4.584   6.908  -2.664
  704    HA   ALA  94           HA       ALA  94   2.937   4.774  -2.001
  705   1HB   ALA  94           HB3      ALA  94   2.776   7.713  -1.681
  706   2HB   ALA  94           HB2      ALA  94   1.248   6.851  -1.509
  707   3HB   ALA  94           HB1      ALA  94   2.616   6.437  -0.476
  708    HA   PRO  95           HA       PRO  95  -0.476   6.201  -5.080
  709   1HB   PRO  95           HB2      PRO  95   0.244   7.985  -7.054
  710   2HB   PRO  95           HB1      PRO  95  -0.486   8.452  -5.508
  711   1HG   PRO  95           HG2      PRO  95   2.360   8.673  -6.391
  712   2HG   PRO  95           HG1      PRO  95   1.458   9.680  -5.246
  713   1HD   PRO  95           HD2      PRO  95   3.294   7.695  -4.534
  714   2HD   PRO  95           HD1      PRO  95   2.062   8.369  -3.452
  715    H    LYS  96           HN       LYS  96   2.796   5.575  -6.006
  716    HA   LYS  96           HA       LYS  96   2.111   4.419  -8.625
  717   1HB   LYS  96           HB2      LYS  96   4.722   4.370  -7.084
  718   2HB   LYS  96           HB1      LYS  96   4.507   3.915  -8.773
  719   1HG   LYS  96           HG2      LYS  96   3.480   6.601  -8.074
  720   2HG   LYS  96           HG1      LYS  96   5.227   6.420  -7.940
  721   1HD   LYS  96           HD2      LYS  96   5.239   6.833 -10.174
  722   2HD   LYS  96           HD1      LYS  96   4.727   5.152 -10.327
  723   1HE   LYS  96           HE2      LYS  96   2.320   6.108 -10.004
  724   2HE   LYS  96           HE1      LYS  96   3.054   7.652 -10.444
  725   1HZ   LYS  96           HZ1      LYS  96   4.039   6.265 -12.382
  726   2HZ   LYS  96           HZ3      LYS  96   2.750   5.213 -12.055
  727   3HZ   LYS  96           HZ2      LYS  96   2.440   6.830 -12.476
  728    H    LEU  97           HN       LEU  97   1.392   3.352  -5.676
  729    HA   LEU  97           HA       LEU  97   2.565   0.713  -5.554
  730   1HB   LEU  97           HB2      LEU  97   0.845   2.333  -3.944
  731   2HB   LEU  97           HB1      LEU  97   0.063   0.769  -4.157
  732    HG   LEU  97           HG       LEU  97   2.985   0.799  -3.524
  733   1HD1  LEU  97          HD12      LEU  97   0.763   1.355  -1.537
  734   2HD1  LEU  97          HD11      LEU  97   2.391   0.849  -1.080
  735   3HD1  LEU  97          HD13      LEU  97   2.144   2.391  -1.900
  736   1HD2  LEU  97          HD23      LEU  97   1.701  -1.292  -3.994
  737   2HD2  LEU  97          HD22      LEU  97   2.384  -1.268  -2.369
  738   3HD2  LEU  97          HD21      LEU  97   0.669  -0.934  -2.609
  739    H    VAL  98           HN       VAL  98  -0.910   1.587  -6.273
  740    HA   VAL  98           HA       VAL  98  -1.244  -1.072  -7.498
  741    HB   VAL  98           HB       VAL  98  -3.591  -0.523  -7.596
  742   1HG1  VAL  98          HG12      VAL  98  -2.150  -0.816  -5.321
  743   2HG1  VAL  98          HG11      VAL  98  -2.936   0.727  -4.994
  744   3HG1  VAL  98          HG13      VAL  98  -3.910  -0.699  -5.348
  745   1HG2  VAL  98          HG22      VAL  98  -2.645   2.282  -6.955
  746   2HG2  VAL  98          HG21      VAL  98  -3.655   1.759  -8.302
  747   3HG2  VAL  98          HG23      VAL  98  -4.308   1.774  -6.665
  748    H    THR  99           HN       THR  99   0.431   1.099  -8.768
  749    HA   THR  99           HA       THR  99  -1.077   1.560 -11.268
  750    HB   THR  99           HB       THR  99   0.610   3.205 -11.833
  751    HG1  THR  99           HG1      THR  99   2.448   3.429 -10.481
  752   1HG2  THR  99          HG21      THR  99  -1.039   3.871 -10.120
  753   2HG2  THR  99          HG23      THR  99   0.083   3.347  -8.863
  754   3HG2  THR  99          HG22      THR  99   0.505   4.700  -9.916
  755    H    GLU 100           HN       GLU 100   0.426   1.300 -13.355
  756    HA   GLU 100           HA       GLU 100   1.115  -1.446 -13.564
  757   1HB   GLU 100           HB2      GLU 100   0.874   0.731 -15.286
  758   2HB   GLU 100           HB1      GLU 100   2.564   0.259 -15.447
  759   1HG   GLU 100           HG2      GLU 100   2.050  -1.737 -16.430
  760   2HG   GLU 100           HG1      GLU 100   0.626  -1.983 -15.418
  761    H    VAL 101           HN       VAL 101   2.951   0.808 -11.736
  762    HA   VAL 101           HA       VAL 101   5.544  -0.317 -12.574
  763    HB   VAL 101           HB       VAL 101   4.959   1.721 -10.409
  764   1HG1  VAL 101          HG12      VAL 101   7.422   0.638 -11.747
  765   2HG1  VAL 101          HG11      VAL 101   7.414   2.305 -11.168
  766   3HG1  VAL 101          HG13      VAL 101   7.141   0.978 -10.039
  767   1HG2  VAL 101          HG21      VAL 101   4.215   2.298 -12.818
  768   2HG2  VAL 101          HG23      VAL 101   5.303   3.432 -12.020
  769   3HG2  VAL 101          HG22      VAL 101   5.933   2.297 -13.213
  770    H    GLU 102           HN       GLU 102   3.110  -1.359 -10.498
  771    HA   GLU 102           HA       GLU 102   5.098  -2.953  -8.986
  772   1HB   GLU 102           HB2      GLU 102   4.725  -0.980  -7.593
  773   2HB   GLU 102           HB1      GLU 102   3.000  -1.283  -7.607
  774   1HG   GLU 102           HG2      GLU 102   3.153  -3.048  -6.138
  775   2HG   GLU 102           HG1      GLU 102   4.735  -3.537  -6.745
  776    H    CYS 103           HN       CYS 103   1.678  -2.680  -7.981
  777    HA   CYS 103           HA       CYS 103   1.162  -5.362  -9.243
  778   1HB   CYS 103           HB2      CYS 103   0.622  -4.605  -6.352
  779   2HB   CYS 103           HB1      CYS 103   0.166  -6.128  -7.113
  780    H    ASN 104           HN       ASN 104   0.099  -2.897 -10.290
  781    HA   ASN 104           HA       ASN 104  -2.265  -1.848  -9.377
  782   1HB   ASN 104           HB2      ASN 104  -1.171  -1.177 -11.475
  783   2HB   ASN 104           HB1      ASN 104  -1.709  -2.661 -12.238
  784   1HD2  ASN 104          HD22      ASN 104  -4.205  -0.161 -13.257
  785   2HD2  ASN 104          HD21      ASN 104  -2.592  -0.560 -13.605
  786    H    LEU 105           HN       LEU 105  -2.501  -4.442 -11.833
  787    HA   LEU 105           HA       LEU 105  -4.241  -5.995 -12.190
  788   1HB   LEU 105           HB2      LEU 105  -3.904  -6.027  -9.185
  789   2HB   LEU 105           HB1      LEU 105  -5.019  -7.117 -10.010
  790    HG   LEU 105           HG       LEU 105  -2.839  -7.515 -11.536
  791   1HD1  LEU 105          HD13      LEU 105  -1.839  -6.692  -8.799
  792   2HD1  LEU 105          HD12      LEU 105  -0.886  -7.669  -9.915
  793   3HD1  LEU 105          HD11      LEU 105  -1.359  -6.031 -10.361
  794   1HD2  LEU 105          HD22      LEU 105  -4.303  -9.042  -9.908
  795   2HD2  LEU 105          HD21      LEU 105  -2.752  -9.604 -10.531
  796   3HD2  LEU 105          HD23      LEU 105  -2.859  -8.939  -8.901
  797    H    ALA 106           HN       ALA 106  -5.095  -3.161 -12.039
  798    HA   ALA 106           HA       ALA 106  -7.066  -1.917 -12.032
  799   1HB   ALA 106           HB2      ALA 106  -7.906  -4.083 -13.115
  800   2HB   ALA 106           HB1      ALA 106  -8.505  -4.533 -11.519
  801   3HB   ALA 106           HB3      ALA 106  -9.131  -3.092 -12.321
  802    H    THR 107           HN       THR 107  -8.435  -0.904 -10.517
  803    HA   THR 107           HA       THR 107  -8.235  -1.921  -7.697
  804    HB   THR 107           HB       THR 107  -7.833   0.276  -6.904
  805    HG1  THR 107           HG1      THR 107  -8.810   1.169  -9.420
  806   1HG2  THR 107          HG23      THR 107  -6.147  -0.672  -8.811
  807   2HG2  THR 107          HG22      THR 107  -6.563   0.900  -9.492
  808   3HG2  THR 107          HG21      THR 107  -5.856   0.797  -7.880
  809    H    ILE 108           HN       ILE 108 -10.044  -0.071  -6.554
  810    HA   ILE 108           HA       ILE 108 -12.604  -1.202  -7.286
  811    HB   ILE 108           HB       ILE 108 -12.120  -0.438  -4.983
  812   1HG1  ILE 108          HG12      ILE 108 -14.251   1.467  -5.805
  813   2HG1  ILE 108          HG11      ILE 108 -14.479  -0.212  -6.294
  814   1HG2  ILE 108          HG21      ILE 108 -10.842   1.656  -5.996
  815   2HG2  ILE 108          HG23      ILE 108 -12.422   2.419  -5.828
  816   3HG2  ILE 108          HG22      ILE 108 -11.611   1.749  -4.412
  817   1HD1  ILE 108          HD13      ILE 108 -13.683   0.442  -3.466
  818   2HD1  ILE 108          HD12      ILE 108 -15.373   0.549  -3.958
  819   3HD1  ILE 108          HD11      ILE 108 -14.515  -0.986  -4.080
  820    H    HIS 109           HN       HIS 109 -10.844   1.705  -8.125
  821    HA   HIS 109           HA       HIS 109 -13.005   3.153  -9.375
  822   1HB   HIS 109           HB2      HIS 109 -10.007   3.334  -9.720
  823   2HB   HIS 109           HB1      HIS 109 -11.171   4.508 -10.331
  824    HD1  HIS 109           HD1      HIS 109 -12.509   5.904  -8.543
  825    HD2  HIS 109           HD2      HIS 109  -9.451   3.544  -6.977
  826    HE1  HIS 109           HE1      HIS 109 -12.075   6.757  -6.202
  827    H    GLY 110           HN       GLY 110 -11.676   0.232 -10.373
  828   1HA   GLY 110           HA2      GLY 110 -11.716  -0.915 -12.400
  829   2HA   GLY 110           HA1      GLY 110 -12.879   0.295 -12.945
  830    H    GLY 111           HN       GLY 111  -9.570   0.954 -11.868
  831   1HA   GLY 111           HA2      GLY 111  -8.425   1.150 -14.516
  832   2HA   GLY 111           HA1      GLY 111  -8.883   2.739 -13.907
  833    HA   PRO 112           HA       PRO 112  -4.690   1.452 -12.150
  834   1HB   PRO 112           HB2      PRO 112  -3.114   3.120 -13.694
  835   2HB   PRO 112           HB1      PRO 112  -3.467   1.441 -14.123
  836   1HG   PRO 112           HG2      PRO 112  -4.536   3.953 -15.299
  837   2HG   PRO 112           HG1      PRO 112  -4.388   2.348 -16.033
  838   1HD   PRO 112           HD2      PRO 112  -6.766   3.506 -15.017
  839   2HD   PRO 112           HD1      PRO 112  -6.539   1.805 -15.474
  840    H    PHE 113           HN       PHE 113  -5.894   2.732 -10.437
  841    HA   PHE 113           HA       PHE 113  -4.407   4.905  -9.473
  842   1HB   PHE 113           HB2      PHE 113  -6.039   6.809  -9.795
  843   2HB   PHE 113           HB1      PHE 113  -5.152   6.334 -11.230
  844    HD1  PHE 113           HD2      PHE 113  -7.688   3.856 -10.563
  845    HD2  PHE 113           HD1      PHE 113  -7.111   7.801 -12.167
  846    HE1  PHE 113           HE2      PHE 113  -9.816   3.667 -11.789
  847    HE2  PHE 113           HE1      PHE 113  -9.251   7.605 -13.394
  848    HZ   PHE 113           HZ       PHE 113 -10.611   5.538 -13.201
  849    H    CYS 114           HN       CYS 114  -5.473   6.067  -7.627
  850    HA   CYS 114           HA       CYS 114  -7.978   5.416  -6.507
  851   1HB   CYS 114           HB2      CYS 114  -6.618   3.100  -6.437
  852   2HB   CYS 114           HB1      CYS 114  -5.932   3.846  -5.027
  853    H    LEU 115           HN       LEU 115  -8.060   6.039  -4.135
  854    HA   LEU 115           HA       LEU 115  -7.473   7.371  -2.312
  855   1HB   LEU 115           HB2      LEU 115  -4.973   6.427  -3.200
  856   2HB   LEU 115           HB1      LEU 115  -4.774   8.171  -3.048
  857    HG   LEU 115           HG       LEU 115  -6.178   7.608  -0.766
  858   1HD1  LEU 115          HD13      LEU 115  -4.370   5.250  -1.371
  859   2HD1  LEU 115          HD12      LEU 115  -5.006   5.619   0.232
  860   3HD1  LEU 115          HD11      LEU 115  -6.109   5.207  -1.081
  861   1HD2  LEU 115          HD23      LEU 115  -3.275   7.903  -1.435
  862   2HD2  LEU 115          HD22      LEU 115  -4.318   8.957  -0.480
  863   3HD2  LEU 115          HD21      LEU 115  -3.704   7.457   0.217
  864    H    SER 116           HN       SER 116  -5.349   8.927  -4.749
  865    HA   SER 116           HA       SER 116  -6.188  11.558  -4.202
  866   1HB   SER 116           HB2      SER 116  -5.399  11.952  -6.675
  867   2HB   SER 116           HB1      SER 116  -4.228  11.438  -5.466
  868    HG   SER 116           HG       SER 116  -3.966  10.072  -7.162
  869    H    LEU 117           HN       LEU 117  -6.932  10.442  -7.488
  870    HA   LEU 117           HA       LEU 117  -8.839  10.758  -8.798
  871   1HB   LEU 117           HB2      LEU 117  -9.627   9.363  -6.341
  872   2HB   LEU 117           HB1      LEU 117 -10.970  10.200  -7.116
  873    HG   LEU 117           HG       LEU 117 -10.744   7.891  -7.960
  874   1HD1  LEU 117          HD12      LEU 117 -11.367   9.993  -9.405
  875   2HD1  LEU 117          HD11      LEU 117  -9.838   9.647 -10.212
  876   3HD1  LEU 117          HD13      LEU 117 -11.115   8.433 -10.188
  877   1HD2  LEU 117          HD22      LEU 117  -7.995   8.850  -8.807
  878   2HD2  LEU 117          HD21      LEU 117  -8.362   7.530  -7.698
  879   3HD2  LEU 117          HD23      LEU 117  -8.747   7.375  -9.411
  880    H    LEU 118           HN       LEU 118 -10.630  11.684  -5.866
  881    HA   LEU 118           HA       LEU 118 -11.806  13.967  -6.969
  882   1HB   LEU 118           HB2      LEU 118 -11.305  13.106  -4.137
  883   2HB   LEU 118           HB1      LEU 118 -11.948  14.708  -4.469
  884    HG   LEU 118           HG       LEU 118 -13.754  13.646  -5.837
  885   1HD1  LEU 118          HD13      LEU 118 -12.375  11.135  -4.862
  886   2HD1  LEU 118          HD12      LEU 118 -14.040  11.139  -5.442
  887   3HD1  LEU 118          HD11      LEU 118 -12.727  11.598  -6.526
  888   1HD2  LEU 118          HD22      LEU 118 -14.090  14.178  -3.430
  889   2HD2  LEU 118          HD21      LEU 118 -15.018  12.763  -3.929
  890   3HD2  LEU 118          HD23      LEU 118 -13.525  12.560  -3.012
  891    H    GLY 119           HN       GLY 119  -8.484  13.747  -5.924
  892   1HA   GLY 119           HA2      GLY 119  -8.271  16.719  -5.916
  893   2HA   GLY 119           HA1      GLY 119  -7.118  15.635  -5.133
  894    H    ALA 120           HN       ALA 120  -6.526  17.658  -7.155
  895    HA   ALA 120           HA       ALA 120  -5.268  17.918  -9.117
  896   1HB   ALA 120           HB2      ALA 120  -3.748  16.410  -7.869
  897   2HB   ALA 120           HB1      ALA 120  -4.572  15.016  -8.568
  898   3HB   ALA 120           HB3      ALA 120  -3.670  16.121  -9.606
  899    H    GLY 121           HN       GLY 121  -7.572  17.954 -10.031
  900   1HA   GLY 121           HA2      GLY 121  -8.678  15.752 -11.472
  901   2HA   GLY 121           HA1      GLY 121  -9.033  17.450 -11.792
  902    H    GLU 122           HN       GLU 122  -6.012  17.881 -12.167
  903    HA   GLU 122           HA       GLU 122  -5.245  16.342 -14.504
  904   1HB   GLU 122           HB2      GLU 122  -5.343  18.292 -16.093
  905   2HB   GLU 122           HB1      GLU 122  -6.929  17.686 -15.617
  906   1HG   GLU 122           HG2      GLU 122  -5.720  19.844 -13.946
  907   2HG   GLU 122           HG1      GLU 122  -6.349  20.294 -15.532
   
  No H/Q in entry =         907
  Start of MODEL          17
 Raw file had  930 H/Q atoms
  Start of MODEL   17
    1   1H    SER   1           HT2      SER   1 -23.963  -8.893  -3.604
    2   2H    SER   1           HT1      SER   1 -23.649  -8.936  -5.274
    3   3H    SER   1           HT3      SER   1 -25.062  -9.645  -4.659
    4    HA   SER   1           HA       SER   1 -23.892 -11.390  -3.633
    5   1HB   SER   1           HB2      SER   1 -23.200 -10.701  -6.445
    6   2HB   SER   1           HB1      SER   1 -22.256 -11.983  -5.693
    7    HG   SER   1           HG       SER   1 -24.045 -13.175  -5.451
    8    H    VAL   2           HN       VAL   2 -22.225 -11.873  -2.318
    9    HA   VAL   2           HA       VAL   2 -20.035 -11.984  -1.459
   10    HB   VAL   2           HB       VAL   2 -19.181  -9.763  -3.324
   11   1HG1  VAL   2          HG11      VAL   2 -17.814 -11.906  -1.698
   12   2HG1  VAL   2          HG13      VAL   2 -16.998 -11.106  -3.041
   13   3HG1  VAL   2          HG12      VAL   2 -17.550 -10.163  -1.657
   14   1HG2  VAL   2          HG22      VAL   2 -19.629 -12.690  -3.835
   15   2HG2  VAL   2          HG21      VAL   2 -19.918 -11.315  -4.903
   16   3HG2  VAL   2          HG23      VAL   2 -18.272 -11.883  -4.622
   17    H    GLY   3           HN       GLY   3 -21.527  -8.813  -2.036
   18   1HA   GLY   3           HA2      GLY   3 -22.117  -7.333  -0.218
   19   2HA   GLY   3           HA1      GLY   3 -20.841  -8.067   0.755
   20    H    THR   4           HN       THR   4 -21.252  -5.214   0.200
   21    HA   THR   4           HA       THR   4 -18.730  -4.614  -1.297
   22    HB   THR   4           HB       THR   4 -20.696  -3.699  -2.432
   23    HG1  THR   4           HG1      THR   4 -19.124  -2.284  -2.684
   24   1HG2  THR   4          HG23      THR   4 -21.353  -2.815   0.339
   25   2HG2  THR   4          HG22      THR   4 -21.813  -1.744  -0.984
   26   3HG2  THR   4          HG21      THR   4 -22.420  -3.399  -0.936
   27    H    SER   5           HN       SER   5 -19.209  -5.232   1.639
   28    HA   SER   5           HA       SER   5 -18.357  -2.648   2.864
   29   1HB   SER   5           HB2      SER   5 -20.278  -4.354   3.719
   30   2HB   SER   5           HB1      SER   5 -18.889  -5.022   4.571
   31    HG   SER   5           HG       SER   5 -18.860  -3.319   5.805
   32    H    CYS   6           HN       CYS   6 -16.971  -3.527   5.041
   33    HA   CYS   6           HA       CYS   6 -14.736  -5.211   3.996
   34   1HB   CYS   6           HB2      CYS   6 -14.511  -2.529   5.391
   35   2HB   CYS   6           HB1      CYS   6 -13.151  -3.621   5.139
   36    H    ILE   7           HN       ILE   7 -13.316  -5.990   5.822
   37    HA   ILE   7           HA       ILE   7 -14.675  -6.086   8.463
   38    HB   ILE   7           HB       ILE   7 -13.656  -8.557   7.046
   39   1HG1  ILE   7          HG12      ILE   7 -16.532  -7.703   7.516
   40   2HG1  ILE   7          HG11      ILE   7 -15.701  -7.557   5.967
   41   1HG2  ILE   7          HG21      ILE   7 -13.737  -8.354   9.630
   42   2HG2  ILE   7          HG23      ILE   7 -15.489  -8.405   9.437
   43   3HG2  ILE   7          HG22      ILE   7 -14.502  -9.761   8.890
   44   1HD1  ILE   7          HD13      ILE   7 -15.761 -10.202   7.398
   45   2HD1  ILE   7          HD12      ILE   7 -17.139  -9.690   6.423
   46   3HD1  ILE   7          HD11      ILE   7 -15.552  -9.876   5.676
   47    HA   PRO   8           HA       PRO   8 -10.234  -5.488   9.252
   48   1HB   PRO   8           HB2      PRO   8 -10.477  -4.717  11.881
   49   2HB   PRO   8           HB1      PRO   8 -10.714  -3.621  10.510
   50   1HG   PRO   8           HG2      PRO   8 -12.753  -4.862  12.298
   51   2HG   PRO   8           HG1      PRO   8 -12.832  -3.343  11.391
   52   1HD   PRO   8           HD2      PRO   8 -14.062  -5.774  10.654
   53   2HD   PRO   8           HD1      PRO   8 -13.838  -4.357   9.607
   54    H    GLY   9           HN       GLY   9  -8.634  -6.830  10.336
   55   1HA   GLY   9           HA2      GLY   9  -7.783  -8.629  11.561
   56   2HA   GLY   9           HA1      GLY   9  -9.245  -8.584  12.537
   57    H    MET  10           HN       MET  10 -10.108  -8.844   9.279
   58    HA   MET  10           HA       MET  10 -10.043 -11.812   9.263
   59   1HB   MET  10           HB2      MET  10 -12.458 -10.023   9.097
   60   2HB   MET  10           HB1      MET  10 -12.467 -11.620   8.352
   61   1HG   MET  10           HG2      MET  10 -11.390 -12.006  10.929
   62   2HG   MET  10           HG1      MET  10 -12.758 -10.915  11.147
   63   1HE   MET  10           HE2      MET  10 -11.423 -14.101  10.986
   64   2HE   MET  10           HE1      MET  10 -12.672 -15.282  10.596
   65   3HE   MET  10           HE3      MET  10 -11.792 -14.459   9.301
   66    H    ALA  11           HN       ALA  11  -8.760 -12.042   7.268
   67    HA   ALA  11           HA       ALA  11  -8.509 -12.094   4.926
   68   1HB   ALA  11           HB1      ALA  11 -11.081 -11.174   4.979
   69   2HB   ALA  11           HB3      ALA  11 -10.244  -9.769   4.318
   70   3HB   ALA  11           HB2      ALA  11 -10.126 -11.331   3.506
   71    H    ILE  12           HN       ILE  12  -9.139  -8.771   6.086
   72    HA   ILE  12           HA       ILE  12  -6.524  -7.919   4.966
   73    HB   ILE  12           HB       ILE  12  -8.803  -6.212   6.008
   74   1HG1  ILE  12          HG12      ILE  12  -8.065  -6.640   3.109
   75   2HG1  ILE  12          HG11      ILE  12  -9.239  -7.677   3.920
   76   1HG2  ILE  12          HG22      ILE  12  -6.174  -5.659   4.647
   77   2HG2  ILE  12          HG21      ILE  12  -7.521  -4.534   4.474
   78   3HG2  ILE  12          HG23      ILE  12  -6.866  -4.884   6.073
   79   1HD1  ILE  12          HD11      ILE  12 -10.180  -5.252   4.671
   80   2HD1  ILE  12          HD13      ILE  12  -9.472  -4.829   3.112
   81   3HD1  ILE  12          HD12      ILE  12 -10.714  -6.077   3.207
   82    HA   PRO  13           HA       PRO  13  -5.727  -8.232   9.458
   83   1HB   PRO  13           HB2      PRO  13  -3.025  -8.686   9.281
   84   2HB   PRO  13           HB1      PRO  13  -4.255  -9.949   9.136
   85   1HG   PRO  13           HG2      PRO  13  -2.543  -8.770   7.030
   86   2HG   PRO  13           HG1      PRO  13  -3.431 -10.302   7.018
   87   1HD   PRO  13           HD2      PRO  13  -4.164  -7.833   5.756
   88   2HD   PRO  13           HD1      PRO  13  -5.101  -9.349   5.778
   89    H    HIS  14           HN       HIS  14  -4.107  -7.133  10.949
   90    HA   HIS  14           HA       HIS  14  -4.030  -4.308  10.402
   91   1HB   HIS  14           HB2      HIS  14  -2.734  -5.916  12.640
   92   2HB   HIS  14           HB1      HIS  14  -3.077  -4.206  12.649
   93    HD1  HIS  14           HD1      HIS  14  -5.309  -3.500  13.595
   94    HD2  HIS  14           HD2      HIS  14  -5.243  -7.526  12.523
   95    HE1  HIS  14           HE1      HIS  14  -7.504  -4.501  14.413
   96    H    ASN  15           HN       ASN  15  -2.085  -3.042   9.978
   97    HA   ASN  15           HA       ASN  15   0.092  -2.592   9.275
   98   1HB   ASN  15           HB2      ASN  15   0.630  -3.941  11.371
   99   2HB   ASN  15           HB1      ASN  15   0.845  -5.335  10.311
  100   1HD2  ASN  15          HD22      ASN  15   3.557  -2.250  10.111
  101   2HD2  ASN  15          HD21      ASN  15   2.012  -1.957  10.750
  102    HA   PRO  16           HA       PRO  16  -0.592  -5.360   5.574
  103   1HB   PRO  16           HB2      PRO  16  -1.796  -3.513   3.953
  104   2HB   PRO  16           HB1      PRO  16  -2.699  -4.557   5.064
  105   1HG   PRO  16           HG2      PRO  16  -2.094  -1.648   5.298
  106   2HG   PRO  16           HG1      PRO  16  -3.436  -2.573   5.990
  107   1HD   PRO  16           HD2      PRO  16  -1.095  -1.720   7.372
  108   2HD   PRO  16           HD1      PRO  16  -2.322  -2.863   7.951
  109    H    LEU  17           HN       LEU  17   0.187  -4.942   3.310
  110    HA   LEU  17           HA       LEU  17   2.020  -4.463   1.937
  111   1HB   LEU  17           HB2      LEU  17   1.190  -1.656   2.719
  112   2HB   LEU  17           HB1      LEU  17   2.048  -2.122   1.250
  113    HG   LEU  17           HG       LEU  17  -0.710  -3.118   2.026
  114   1HD1  LEU  17          HD12      LEU  17  -0.292  -0.610   1.298
  115   2HD1  LEU  17          HD11      LEU  17  -0.153  -1.322  -0.309
  116   3HD1  LEU  17          HD13      LEU  17  -1.639  -1.521   0.617
  117   1HD2  LEU  17          HD22      LEU  17   0.988  -3.448  -0.469
  118   2HD2  LEU  17          HD21      LEU  17   0.482  -4.723   0.639
  119   3HD2  LEU  17          HD23      LEU  17  -0.713  -3.901  -0.365
  120    H    ASP  18           HN       ASP  18   3.069  -5.158   4.410
  121    HA   ASP  18           HA       ASP  18   4.941  -3.148   5.393
  122   1HB   ASP  18           HB2      ASP  18   5.991  -5.077   6.605
  123   2HB   ASP  18           HB1      ASP  18   4.253  -4.941   6.894
  124    H    SER  19           HN       SER  19   5.103  -5.899   3.201
  125    HA   SER  19           HA       SER  19   7.914  -5.811   2.653
  126   1HB   SER  19           HB2      SER  19   6.010  -7.568   2.011
  127   2HB   SER  19           HB1      SER  19   5.972  -6.623   0.525
  128    HG   SER  19           HG       SER  19   8.068  -7.124   0.151
  129    H    CYS  20           HN       CYS  20   5.192  -3.930   1.568
  130    HA   CYS  20           HA       CYS  20   6.486  -2.816  -0.773
  131   1HB   CYS  20           HB2      CYS  20   4.078  -1.760   0.718
  132   2HB   CYS  20           HB1      CYS  20   4.521  -1.444  -0.962
  133    H    ARG  21           HN       ARG  21   6.077  -1.831   2.612
  134    HA   ARG  21           HA       ARG  21   7.109   0.821   2.185
  135   1HB   ARG  21           HB2      ARG  21   5.726   0.400   4.132
  136   2HB   ARG  21           HB1      ARG  21   6.871  -0.761   4.777
  137   1HG   ARG  21           HG2      ARG  21   8.585   1.198   4.653
  138   2HG   ARG  21           HG1      ARG  21   7.159   2.225   4.513
  139   1HD   ARG  21           HD2      ARG  21   7.138   2.187   6.780
  140   2HD   ARG  21           HD1      ARG  21   6.479   0.562   6.609
  141    HE   ARG  21           HE       ARG  21   9.433   0.874   6.684
  142   1HH1  ARG  21          HH11      ARG  21   7.820  -1.727   6.937
  143   2HH1  ARG  21          HH12      ARG  21   7.961  -2.027   8.638
  144   1HH2  ARG  21          HH21      ARG  21   9.029   1.185   9.387
  145   2HH2  ARG  21          HH22      ARG  21   8.644  -0.379  10.023
  146    H    TRP  22           HN       TRP  22   8.652  -2.291   3.206
  147    HA   TRP  22           HA       TRP  22  11.259  -1.031   3.458
  148   1HB   TRP  22           HB2      TRP  22  10.425  -3.914   3.390
  149   2HB   TRP  22           HB1      TRP  22  12.110  -3.446   3.279
  150    HD1  TRP  22           HD1      TRP  22   9.761  -4.346   5.784
  151    HE1  TRP  22           HE1      TRP  22  10.424  -3.392   8.103
  152    HE3  TRP  22           HE3      TRP  22  13.115  -0.985   4.263
  153    HZ2  TRP  22           HZ2      TRP  22  12.230  -1.376   9.140
  154    HZ3  TRP  22           HZ3      TRP  22  14.340   0.483   5.880
  155    HH2  TRP  22           HH2      TRP  22  13.894   0.284   8.318
  156    H    TYR  23           HN       TYR  23   9.421  -2.566   0.904
  157    HA   TYR  23           HA       TYR  23  11.541  -2.951  -0.966
  158   1HB   TYR  23           HB2      TYR  23   9.345  -4.030  -1.260
  159   2HB   TYR  23           HB1      TYR  23   8.590  -2.459  -1.503
  160    HD1  TYR  23           HD1      TYR  23  11.953  -3.405  -2.835
  161    HD2  TYR  23           HD2      TYR  23   7.790  -2.827  -3.738
  162    HE1  TYR  23           HE1      TYR  23  12.461  -3.510  -5.248
  163    HE2  TYR  23           HE2      TYR  23   8.305  -2.934  -6.159
  164    HH   TYR  23           HH       TYR  23   9.979  -3.729  -7.656
  165    H    VAL  24           HN       VAL  24   9.542  -0.133  -0.121
  166    HA   VAL  24           HA       VAL  24  10.497   1.491  -2.336
  167    HB   VAL  24           HB       VAL  24   9.531   2.469   0.355
  168   1HG1  VAL  24          HG12      VAL  24   9.848   3.752  -2.367
  169   2HG1  VAL  24          HG11      VAL  24   8.931   4.494  -1.057
  170   3HG1  VAL  24          HG13      VAL  24  10.660   4.199  -0.867
  171   1HG2  VAL  24          HG21      VAL  24   8.052   0.958  -1.450
  172   2HG2  VAL  24          HG23      VAL  24   7.375   2.067  -0.259
  173   3HG2  VAL  24          HG22      VAL  24   7.661   2.614  -1.909
  174    H    SER  25           HN       SER  25  11.472   0.862   1.026
  175    HA   SER  25           HA       SER  25  13.513   2.800   1.267
  176   1HB   SER  25           HB2      SER  25  14.000   0.049   2.339
  177   2HB   SER  25           HB1      SER  25  14.308   1.609   3.090
  178    HG   SER  25           HG       SER  25  12.200   1.796   3.591
  179    H    THR  26           HN       THR  26  13.617  -0.406  -0.272
  180    HA   THR  26           HA       THR  26  16.465  -0.297  -0.873
  181    HB   THR  26           HB       THR  26  14.235  -2.149  -1.751
  182    HG1  THR  26           HG1      THR  26  14.869  -3.273  -0.098
  183   1HG2  THR  26          HG22      THR  26  16.900  -1.845  -2.888
  184   2HG2  THR  26          HG21      THR  26  16.689  -3.442  -2.167
  185   3HG2  THR  26          HG23      THR  26  15.574  -2.883  -3.415
  186    H    ARG  27           HN       ARG  27  13.599  -0.137  -3.041
  187    HA   ARG  27           HA       ARG  27  15.051   0.380  -5.420
  188   1HB   ARG  27           HB2      ARG  27  12.620  -0.276  -5.273
  189   2HB   ARG  27           HB1      ARG  27  12.263   1.385  -4.800
  190   1HG   ARG  27           HG2      ARG  27  11.923   1.346  -7.148
  191   2HG   ARG  27           HG1      ARG  27  13.510   2.084  -6.942
  192   1HD   ARG  27           HD2      ARG  27  13.487  -0.875  -7.159
  193   2HD   ARG  27           HD1      ARG  27  13.045   0.005  -8.623
  194    HE   ARG  27           HE       ARG  27  15.700  -0.127  -7.463
  195   1HH1  ARG  27          HH11      ARG  27  14.030   0.799 -10.161
  196   2HH1  ARG  27          HH12      ARG  27  14.992   2.191 -10.525
  197   1HH2  ARG  27          HH21      ARG  27  16.716   2.121  -7.522
  198   2HH2  ARG  27          HH22      ARG  27  16.512   2.937  -9.035
  199    H    THR  28           HN       THR  28  14.185   2.505  -2.796
  200    HA   THR  28           HA       THR  28  14.780   4.915  -4.394
  201    HB   THR  28           HB       THR  28  13.859   6.164  -2.513
  202    HG1  THR  28           HG1      THR  28  13.336   5.177  -0.628
  203   1HG2  THR  28          HG23      THR  28  12.283   3.686  -3.213
  204   2HG2  THR  28          HG22      THR  28  11.603   5.103  -2.415
  205   3HG2  THR  28          HG21      THR  28  12.246   5.236  -4.052
  206    H    CYS  29           HN       CYS  29  15.855   3.824  -1.101
  207    HA   CYS  29           HA       CYS  29  18.359   5.367  -1.517
  208   1HB   CYS  29           HB2      CYS  29  17.594   4.023   1.060
  209   2HB   CYS  29           HB1      CYS  29  18.610   5.440   0.817
  210    H    GLY  30           HN       GLY  30  17.558   2.413  -2.352
  211   1HA   GLY  30           HA2      GLY  30  18.697   0.356  -2.606
  212   2HA   GLY  30           HA1      GLY  30  20.174   1.291  -2.368
  213    H    VAL  31           HN       VAL  31  17.732   1.347   0.123
  214    HA   VAL  31           HA       VAL  31  19.452  -0.374   1.868
  215    HB   VAL  31           HB       VAL  31  17.619   1.890   2.717
  216   1HG1  VAL  31          HG13      VAL  31  19.576   0.085   4.142
  217   2HG1  VAL  31          HG12      VAL  31  19.134   1.659   4.804
  218   3HG1  VAL  31          HG11      VAL  31  17.896   0.428   4.557
  219   1HG2  VAL  31          HG23      VAL  31  20.345   1.891   1.638
  220   2HG2  VAL  31          HG22      VAL  31  19.260   3.247   1.943
  221   3HG2  VAL  31          HG21      VAL  31  20.265   2.614   3.245
  222    H    GLY  32           HN       GLY  32  18.178  -1.489   3.648
  223   1HA   GLY  32           HA2      GLY  32  15.709  -2.035   4.270
  224   2HA   GLY  32           HA1      GLY  32  15.599  -2.427   2.550
  225    HA   PRO  33           HA       PRO  33  17.194  -6.172   5.023
  226   1HB   PRO  33           HB2      PRO  33  15.291  -7.995   4.160
  227   2HB   PRO  33           HB1      PRO  33  15.193  -7.085   5.678
  228   1HG   PRO  33           HG2      PRO  33  13.774  -6.592   3.084
  229   2HG   PRO  33           HG1      PRO  33  13.207  -6.337   4.745
  230   1HD   PRO  33           HD2      PRO  33  14.050  -4.305   3.123
  231   2HD   PRO  33           HD1      PRO  33  14.156  -4.243   4.897
  232    H    ARG  34           HN       ARG  34  17.894  -8.340   3.890
  233    HA   ARG  34           HA       ARG  34  18.900  -7.599   1.220
  234   1HB   ARG  34           HB2      ARG  34  19.718  -9.477   3.375
  235   2HB   ARG  34           HB1      ARG  34  20.094  -9.969   1.724
  236   1HG   ARG  34           HG2      ARG  34  21.978  -8.699   2.490
  237   2HG   ARG  34           HG1      ARG  34  21.087  -7.648   1.387
  238   1HD   ARG  34           HD2      ARG  34  20.386  -6.247   3.066
  239   2HD   ARG  34           HD1      ARG  34  20.300  -7.545   4.256
  240    HE   ARG  34           HE       ARG  34  22.589  -7.166   4.779
  241   1HH1  ARG  34          HH11      ARG  34  23.971  -7.103   2.267
  242   2HH1  ARG  34          HH12      ARG  34  24.350  -5.432   2.018
  243   1HH2  ARG  34          HH21      ARG  34  22.044  -4.288   4.340
  244   2HH2  ARG  34          HH22      ARG  34  23.260  -3.838   3.190
  245    H    LEU  35           HN       LEU  35  16.946  -7.867   0.077
  246    HA   LEU  35           HA       LEU  35  16.409 -10.679  -0.724
  247   1HB   LEU  35           HB2      LEU  35  14.652  -9.568   0.952
  248   2HB   LEU  35           HB1      LEU  35  14.073  -8.816  -0.536
  249    HG   LEU  35           HG       LEU  35  14.097 -11.164  -1.558
  250   1HD1  LEU  35          HD11      LEU  35  15.498 -11.919   0.565
  251   2HD1  LEU  35          HD13      LEU  35  13.895 -12.170   1.256
  252   3HD1  LEU  35          HD12      LEU  35  14.368 -13.030  -0.209
  253   1HD2  LEU  35          HD21      LEU  35  12.235 -10.357   0.687
  254   2HD2  LEU  35          HD23      LEU  35  11.975 -10.198  -1.051
  255   3HD2  LEU  35          HD22      LEU  35  11.947 -11.792  -0.296
  256    H    ALA  36           HN       ALA  36  16.314 -10.849  -2.932
  257    HA   ALA  36           HA       ALA  36  17.148  -8.831  -4.670
  258   1HB   ALA  36           HB3      ALA  36  15.493 -11.308  -5.126
  259   2HB   ALA  36           HB2      ALA  36  15.911 -10.237  -6.464
  260   3HB   ALA  36           HB1      ALA  36  17.185 -11.021  -5.532
  261    H    THR  37           HN       THR  37  15.913  -7.599  -6.343
  262    HA   THR  37           HA       THR  37  13.670  -6.186  -5.182
  263    HB   THR  37           HB       THR  37  14.745  -6.049  -8.012
  264    HG1  THR  37           HG1      THR  37  16.399  -5.140  -7.140
  265   1HG2  THR  37          HG23      THR  37  12.526  -4.802  -6.784
  266   2HG2  THR  37          HG22      THR  37  13.792  -3.577  -6.863
  267   3HG2  THR  37          HG21      THR  37  13.261  -4.391  -8.334
  268    H    GLN  38           HN       GLN  38  13.956  -8.803  -7.518
  269    HA   GLN  38           HA       GLN  38  11.280  -8.514  -8.608
  270   1HB   GLN  38           HB2      GLN  38  13.460 -10.551  -8.778
  271   2HB   GLN  38           HB1      GLN  38  11.827 -11.053  -9.216
  272   1HG   GLN  38           HG2      GLN  38  11.718  -9.010 -10.720
  273   2HG   GLN  38           HG1      GLN  38  13.444  -8.799 -10.426
  274   1HE2  GLN  38          HE22      GLN  38  14.319 -11.831 -12.226
  275   2HE2  GLN  38          HE21      GLN  38  14.771 -10.944 -10.850
  276    H    GLU  39           HN       GLU  39  12.691 -10.469  -6.011
  277    HA   GLU  39           HA       GLU  39  10.280 -11.988  -5.474
  278   1HB   GLU  39           HB2      GLU  39  12.821 -11.484  -3.913
  279   2HB   GLU  39           HB1      GLU  39  11.494 -12.440  -3.251
  280   1HG   GLU  39           HG2      GLU  39  12.311 -13.171  -6.002
  281   2HG   GLU  39           HG1      GLU  39  13.519 -13.484  -4.757
  282    H    MET  40           HN       MET  40  11.607  -8.924  -4.399
  283    HA   MET  40           HA       MET  40   9.879  -8.515  -2.123
  284   1HB   MET  40           HB2      MET  40  12.102  -7.329  -2.882
  285   2HB   MET  40           HB1      MET  40  11.020  -6.293  -3.795
  286   1HG   MET  40           HG2      MET  40  10.859  -5.094  -1.888
  287   2HG   MET  40           HG1      MET  40   9.779  -6.372  -1.341
  288   1HE   MET  40           HE1      MET  40  10.035  -7.515   0.698
  289   2HE   MET  40           HE3      MET  40  10.852  -8.699  -0.330
  290   3HE   MET  40           HE2      MET  40  11.520  -8.286   1.247
  291    H    LYS  41           HN       LYS  41   9.922  -7.115  -5.391
  292    HA   LYS  41           HA       LYS  41   7.413  -5.773  -5.286
  293   1HB   LYS  41           HB2      LYS  41   9.148  -5.452  -7.074
  294   2HB   LYS  41           HB1      LYS  41   8.695  -7.022  -7.738
  295   1HG   LYS  41           HG2      LYS  41   6.429  -5.181  -7.248
  296   2HG   LYS  41           HG1      LYS  41   7.555  -4.657  -8.501
  297   1HD   LYS  41           HD2      LYS  41   6.315  -7.421  -8.398
  298   2HD   LYS  41           HD1      LYS  41   5.677  -6.092  -9.364
  299   1HE   LYS  41           HE2      LYS  41   7.341  -6.249 -10.914
  300   2HE   LYS  41           HE1      LYS  41   8.573  -6.602  -9.702
  301   1HZ   LYS  41           HZ3      LYS  41   6.494  -8.565 -10.470
  302   2HZ   LYS  41           HZ2      LYS  41   7.986  -8.458 -11.278
  303   3HZ   LYS  41           HZ1      LYS  41   7.938  -8.844  -9.624
  304    H    ALA  42           HN       ALA  42   8.261  -9.095  -6.029
  305    HA   ALA  42           HA       ALA  42   5.692  -9.937  -7.031
  306   1HB   ALA  42           HB3      ALA  42   7.829 -11.196  -7.394
  307   2HB   ALA  42           HB2      ALA  42   7.836 -11.607  -5.680
  308   3HB   ALA  42           HB1      ALA  42   6.546 -12.204  -6.724
  309    H    ARG  43           HN       ARG  43   7.170  -9.716  -3.848
  310    HA   ARG  43           HA       ARG  43   5.181 -11.194  -2.393
  311   1HB   ARG  43           HB2      ARG  43   7.497  -9.518  -1.783
  312   2HB   ARG  43           HB1      ARG  43   6.185  -9.264  -0.633
  313   1HG   ARG  43           HG2      ARG  43   7.227 -12.001  -1.416
  314   2HG   ARG  43           HG1      ARG  43   7.768 -11.117   0.012
  315   1HD   ARG  43           HD2      ARG  43   5.407 -11.010   0.799
  316   2HD   ARG  43           HD1      ARG  43   4.926 -11.992  -0.583
  317    HE   ARG  43           HE       ARG  43   7.011 -13.137   1.169
  318   1HH1  ARG  43          HH11      ARG  43   5.204 -14.639  -0.775
  319   2HH1  ARG  43          HH12      ARG  43   4.109 -15.417   0.319
  320   1HH2  ARG  43          HH21      ARG  43   4.955 -13.405   3.013
  321   2HH2  ARG  43          HH22      ARG  43   3.968 -14.717   2.464
  322    H    CYS  44           HN       CYS  44   5.612  -7.692  -2.967
  323    HA   CYS  44           HA       CYS  44   3.294  -6.805  -1.573
  324   1HB   CYS  44           HB2      CYS  44   4.924  -5.624  -3.794
  325   2HB   CYS  44           HB1      CYS  44   3.420  -4.859  -3.257
  326    H    CYS  45           HN       CYS  45   3.721  -7.860  -4.988
  327    HA   CYS  45           HA       CYS  45   1.032  -7.086  -5.773
  328   1HB   CYS  45           HB2      CYS  45   3.008  -8.976  -7.090
  329   2HB   CYS  45           HB1      CYS  45   1.494  -8.458  -7.806
  330    H    ARG  46           HN       ARG  46   2.484  -9.930  -4.367
  331    HA   ARG  46           HA       ARG  46   0.278 -11.731  -4.912
  332   1HB   ARG  46           HB2      ARG  46   2.744 -12.245  -4.172
  333   2HB   ARG  46           HB1      ARG  46   2.114 -12.043  -2.549
  334   1HG   ARG  46           HG2      ARG  46   0.526 -13.760  -4.389
  335   2HG   ARG  46           HG1      ARG  46   2.046 -14.419  -3.788
  336   1HD   ARG  46           HD2      ARG  46   1.237 -13.673  -1.455
  337   2HD   ARG  46           HD1      ARG  46  -0.353 -13.505  -2.199
  338    HE   ARG  46           HE       ARG  46   0.068 -15.998  -2.905
  339   1HH1  ARG  46          HH21      ARG  46   2.356 -15.136  -0.681
  340   2HH1  ARG  46          HH22      ARG  46   1.887 -16.270   0.541
  341   1HH2  ARG  46          HH11      ARG  46  -1.055 -17.179  -1.056
  342   2HH2  ARG  46          HH12      ARG  46  -0.045 -17.427   0.329
  343    H    GLN  47           HN       GLN  47   1.138  -9.422  -2.390
  344    HA   GLN  47           HA       GLN  47  -0.996 -10.263  -0.563
  345   1HB   GLN  47           HB2      GLN  47   0.601  -7.682  -0.604
  346   2HB   GLN  47           HB1      GLN  47  -0.364  -8.292   0.740
  347   1HG   GLN  47           HG2      GLN  47   1.322 -10.430   0.099
  348   2HG   GLN  47           HG1      GLN  47   2.351  -9.008  -0.065
  349   1HE2  GLN  47          HE22      GLN  47   2.184  -8.163   3.413
  350   2HE2  GLN  47          HE21      GLN  47   2.443  -7.517   1.865
  351    H    LEU  48           HN       LEU  48  -0.566  -7.764  -3.011
  352    HA   LEU  48           HA       LEU  48  -2.973  -6.299  -2.489
  353   1HB   LEU  48           HB2      LEU  48  -0.892  -5.588  -3.837
  354   2HB   LEU  48           HB1      LEU  48  -1.603  -6.492  -5.172
  355    HG   LEU  48           HG       LEU  48  -3.526  -4.711  -3.838
  356   1HD1  LEU  48          HD11      LEU  48  -1.161  -3.532  -3.803
  357   2HD1  LEU  48          HD13      LEU  48  -1.483  -3.302  -5.522
  358   3HD1  LEU  48          HD12      LEU  48  -2.591  -2.638  -4.322
  359   1HD2  LEU  48          HD23      LEU  48  -2.564  -5.070  -6.692
  360   2HD2  LEU  48          HD22      LEU  48  -3.971  -5.840  -5.962
  361   3HD2  LEU  48          HD21      LEU  48  -3.952  -4.094  -6.215
  362    H    GLU  49           HN       GLU  49  -2.191  -9.046  -4.583
  363    HA   GLU  49           HA       GLU  49  -4.813  -9.082  -5.865
  364   1HB   GLU  49           HB2      GLU  49  -2.461 -10.098  -6.643
  365   2HB   GLU  49           HB1      GLU  49  -3.066 -11.519  -5.789
  366   1HG   GLU  49           HG2      GLU  49  -5.192 -11.323  -7.131
  367   2HG   GLU  49           HG1      GLU  49  -4.413 -10.053  -8.074
  368    H    ALA  50           HN       ALA  50  -3.202 -10.872  -3.235
  369    HA   ALA  50           HA       ALA  50  -5.258 -12.752  -2.640
  370   1HB   ALA  50           HB3      ALA  50  -3.300 -11.354  -0.784
  371   2HB   ALA  50           HB2      ALA  50  -4.298 -12.731  -0.319
  372   3HB   ALA  50           HB1      ALA  50  -3.067 -12.916  -1.568
  373    H    ILE  51           HN       ILE  51  -4.806  -9.380  -1.835
  374    HA   ILE  51           HA       ILE  51  -7.264  -9.203  -0.221
  375    HB   ILE  51           HB       ILE  51  -5.374  -7.024  -1.184
  376   1HG1  ILE  51          HG12      ILE  51  -5.572  -8.142   1.614
  377   2HG1  ILE  51          HG11      ILE  51  -4.482  -8.852   0.422
  378   1HG2  ILE  51          HG23      ILE  51  -7.856  -6.533  -0.465
  379   2HG2  ILE  51          HG22      ILE  51  -7.247  -6.829   1.162
  380   3HG2  ILE  51          HG21      ILE  51  -6.556  -5.536   0.182
  381   1HD1  ILE  51          HD13      ILE  51  -4.411  -5.887   0.734
  382   2HD1  ILE  51          HD12      ILE  51  -3.709  -6.851   2.033
  383   3HD1  ILE  51          HD11      ILE  51  -3.097  -7.010   0.387
  384    HA   PRO  52           HA       PRO  52  -9.193  -8.852  -4.323
  385   1HB   PRO  52           HB2      PRO  52 -11.791  -8.681  -3.382
  386   2HB   PRO  52           HB1      PRO  52 -10.927 -10.198  -3.695
  387   1HG   PRO  52           HG2      PRO  52 -11.420  -8.811  -1.075
  388   2HG   PRO  52           HG1      PRO  52 -11.371 -10.549  -1.432
  389   1HD   PRO  52           HD2      PRO  52  -9.275  -9.220  -0.243
  390   2HD   PRO  52           HD1      PRO  52  -9.051 -10.653  -1.274
  391    H    ALA  53           HN       ALA  53  -9.906  -7.087  -5.491
  392    HA   ALA  53           HA       ALA  53  -9.182  -4.528  -4.986
  393   1HB   ALA  53           HB1      ALA  53 -11.512  -5.602  -6.530
  394   2HB   ALA  53           HB3      ALA  53 -11.259  -3.860  -6.420
  395   3HB   ALA  53           HB2      ALA  53 -10.011  -4.889  -7.122
  396    H    TYR  54           HN       TYR  54 -12.127  -5.984  -3.686
  397    HA   TYR  54           HA       TYR  54 -13.242  -3.515  -2.654
  398   1HB   TYR  54           HB2      TYR  54 -13.747  -6.446  -2.172
  399   2HB   TYR  54           HB1      TYR  54 -14.496  -5.234  -1.131
  400    HD1  TYR  54           HD2      TYR  54 -15.308  -3.063  -2.676
  401    HD2  TYR  54           HD1      TYR  54 -15.156  -7.184  -3.877
  402    HE1  TYR  54           HE2      TYR  54 -17.016  -2.617  -4.416
  403    HE2  TYR  54           HE1      TYR  54 -16.864  -6.738  -5.619
  404    HH   TYR  54           HH       TYR  54 -17.615  -3.808  -6.748
  405    H    CYS  55           HN       CYS  55 -12.484  -2.391  -0.962
  406    HA   CYS  55           HA       CYS  55 -11.551  -1.883   1.133
  407   1HB   CYS  55           HB2      CYS  55 -10.967  -4.832   1.511
  408   2HB   CYS  55           HB1      CYS  55 -11.053  -3.581   2.745
  409    H    ARG  56           HN       ARG  56  -9.959  -3.152  -1.525
  410    HA   ARG  56           HA       ARG  56  -7.320  -3.640  -0.606
  411   1HB   ARG  56           HB2      ARG  56  -8.572  -2.896  -3.193
  412   2HB   ARG  56           HB1      ARG  56  -6.854  -2.528  -3.041
  413   1HG   ARG  56           HG2      ARG  56  -7.140  -5.109  -1.949
  414   2HG   ARG  56           HG1      ARG  56  -8.157  -5.110  -3.387
  415   1HD   ARG  56           HD2      ARG  56  -5.668  -3.786  -3.996
  416   2HD   ARG  56           HD1      ARG  56  -5.332  -5.350  -3.261
  417    HE   ARG  56           HE       ARG  56  -6.723  -6.379  -5.062
  418   1HH1  ARG  56          HH11      ARG  56  -7.089  -3.093  -5.465
  419   2HH1  ARG  56          HH12      ARG  56  -6.646  -3.061  -7.138
  420   1HH2  ARG  56          HH21      ARG  56  -5.566  -6.359  -7.184
  421   2HH2  ARG  56          HH22      ARG  56  -5.770  -4.912  -8.112
  422    H    CYS  57           HN       CYS  57  -7.647  -0.703  -2.599
  423    HA   CYS  57           HA       CYS  57  -5.716   0.914  -1.713
  424   1HB   CYS  57           HB2      CYS  57  -8.589   1.695  -2.161
  425   2HB   CYS  57           HB1      CYS  57  -7.321   2.891  -1.894
  426    H    GLU  58           HN       GLU  58  -8.665   0.560   0.369
  427    HA   GLU  58           HA       GLU  58  -8.309   2.446   2.315
  428   1HB   GLU  58           HB2      GLU  58  -9.880   0.318   2.172
  429   2HB   GLU  58           HB1      GLU  58  -8.690  -0.355   3.288
  430   1HG   GLU  58           HG2      GLU  58 -10.205   0.653   4.755
  431   2HG   GLU  58           HG1      GLU  58  -8.991   1.917   4.559
  432    H    ALA  59           HN       ALA  59  -6.594  -0.720   2.450
  433    HA   ALA  59           HA       ALA  59  -5.069  -0.527   4.702
  434   1HB   ALA  59           HB2      ALA  59  -5.027  -2.146   2.524
  435   2HB   ALA  59           HB1      ALA  59  -3.473  -1.329   2.359
  436   3HB   ALA  59           HB3      ALA  59  -3.845  -2.226   3.830
  437    H    VAL  60           HN       VAL  60  -4.136   1.018   1.637
  438    HA   VAL  60           HA       VAL  60  -1.657   2.117   2.440
  439    HB   VAL  60           HB       VAL  60  -3.675   3.384   0.560
  440   1HG1  VAL  60          HG11      VAL  60  -1.520   4.622   1.405
  441   2HG1  VAL  60          HG13      VAL  60  -0.681   3.514   0.319
  442   3HG1  VAL  60          HG12      VAL  60  -1.897   4.622  -0.317
  443   1HG2  VAL  60          HG23      VAL  60  -1.687   1.140   0.230
  444   2HG2  VAL  60          HG22      VAL  60  -3.379   1.190  -0.262
  445   3HG2  VAL  60          HG21      VAL  60  -2.176   2.126  -1.148
  446    H    ARG  61           HN       ARG  61  -4.909   3.588   2.546
  447    HA   ARG  61           HA       ARG  61  -4.178   6.041   3.810
  448   1HB   ARG  61           HB2      ARG  61  -6.664   4.535   3.326
  449   2HB   ARG  61           HB1      ARG  61  -6.715   5.527   4.782
  450   1HG   ARG  61           HG2      ARG  61  -5.619   7.327   3.136
  451   2HG   ARG  61           HG1      ARG  61  -6.466   6.361   1.927
  452   1HD   ARG  61           HD2      ARG  61  -8.104   7.919   2.531
  453   2HD   ARG  61           HD1      ARG  61  -8.493   6.554   3.578
  454    HE   ARG  61           HE       ARG  61  -6.844   7.951   5.198
  455   1HH1  ARG  61          HH21      ARG  61  -7.242  10.397   3.522
  456   2HH1  ARG  61          HH22      ARG  61  -8.608  11.142   4.282
  457   1HH2  ARG  61          HH11      ARG  61  -9.542   8.284   6.010
  458   2HH2  ARG  61          HH12      ARG  61  -9.912   9.945   5.691
  459    H    ILE  62           HN       ILE  62  -4.588   2.823   5.096
  460    HA   ILE  62           HA       ILE  62  -4.764   3.617   7.901
  461    HB   ILE  62           HB       ILE  62  -4.194   0.945   6.562
  462   1HG1  ILE  62          HG12      ILE  62  -6.430   1.895   6.075
  463   2HG1  ILE  62          HG11      ILE  62  -6.535   0.432   7.047
  464   1HG2  ILE  62          HG21      ILE  62  -4.189   1.744   9.388
  465   2HG2  ILE  62          HG23      ILE  62  -5.235   0.367   9.043
  466   3HG2  ILE  62          HG22      ILE  62  -3.524   0.302   8.621
  467   1HD1  ILE  62          HD11      ILE  62  -6.330   2.847   8.689
  468   2HD1  ILE  62          HD13      ILE  62  -7.745   2.859   7.641
  469   3HD1  ILE  62          HD12      ILE  62  -7.494   1.531   8.773
  470    H    LEU  63           HN       LEU  63  -2.162   2.780   5.677
  471    HA   LEU  63           HA       LEU  63  -0.224   2.480   7.833
  472   1HB   LEU  63           HB2      LEU  63  -0.098   1.429   5.458
  473   2HB   LEU  63           HB1      LEU  63   0.512   3.007   4.959
  474    HG   LEU  63           HG       LEU  63   1.975   2.451   7.269
  475   1HD1  LEU  63          HD13      LEU  63   1.034   0.090   7.051
  476   2HD1  LEU  63          HD12      LEU  63   1.965  -0.045   5.558
  477   3HD1  LEU  63          HD11      LEU  63   2.793   0.211   7.094
  478   1HD2  LEU  63          HD22      LEU  63   2.449   2.447   4.330
  479   2HD2  LEU  63          HD21      LEU  63   3.239   3.385   5.598
  480   3HD2  LEU  63          HD23      LEU  63   3.698   1.704   5.331
  481    H    MET  64           HN       MET  64  -1.139   5.043   5.576
  482    HA   MET  64           HA       MET  64   0.967   6.828   6.516
  483   1HB   MET  64           HB2      MET  64  -0.191   6.862   4.200
  484   2HB   MET  64           HB1      MET  64  -1.522   7.692   5.008
  485   1HG   MET  64           HG2      MET  64   0.912   8.943   5.842
  486   2HG   MET  64           HG1      MET  64   0.953   8.795   4.085
  487   1HE   MET  64           HE3      MET  64  -1.007   8.901   2.790
  488   2HE   MET  64           HE2      MET  64  -2.449   9.883   3.039
  489   3HE   MET  64           HE1      MET  64  -0.966  10.640   2.461
  490    H    ASP  65           HN       ASP  65  -2.614   6.786   6.866
  491    HA   ASP  65           HA       ASP  65  -2.469   8.873   8.916
  492   1HB   ASP  65           HB2      ASP  65  -4.823   7.441   7.630
  493   2HB   ASP  65           HB1      ASP  65  -5.023   8.346   9.131
  494    H    GLY  66           HN       GLY  66  -2.509   5.398   8.904
  495   1HA   GLY  66           HA2      GLY  66  -2.061   3.992  10.767
  496   2HA   GLY  66           HA1      GLY  66  -2.195   5.397  11.825
  497    H    VAL  67           HN       VAL  67  -3.480   2.666  11.897
  498    HA   VAL  67           HA       VAL  67  -6.346   3.538  11.979
  499    HB   VAL  67           HB       VAL  67  -5.972   1.781  10.318
  500   1HG1  VAL  67          HG13      VAL  67  -4.890   0.178  12.649
  501   2HG1  VAL  67          HG12      VAL  67  -5.177  -0.456  11.029
  502   3HG1  VAL  67          HG11      VAL  67  -3.947   0.783  11.287
  503   1HG2  VAL  67          HG22      VAL  67  -8.053   1.810  11.793
  504   2HG2  VAL  67          HG21      VAL  67  -7.685   0.267  11.021
  505   3HG2  VAL  67          HG23      VAL  67  -7.297   0.518  12.723
  506    H    VAL  68           HN       VAL  68  -7.634   2.566  13.704
  507    HA   VAL  68           HA       VAL  68  -5.988   1.968  16.116
  508    HB   VAL  68           HB       VAL  68  -8.622   3.450  15.856
  509   1HG1  VAL  68          HG12      VAL  68  -7.247   2.472  18.389
  510   2HG1  VAL  68          HG11      VAL  68  -8.620   3.579  18.346
  511   3HG1  VAL  68          HG13      VAL  68  -8.806   1.917  17.783
  512   1HG2  VAL  68          HG22      VAL  68  -5.839   4.112  16.833
  513   2HG2  VAL  68          HG21      VAL  68  -6.760   4.903  15.554
  514   3HG2  VAL  68          HG23      VAL  68  -7.232   5.113  17.241
  515    H    THR  69           HN       THR  69  -6.937   0.485  17.611
  516    HA   THR  69           HA       THR  69  -8.644  -1.562  16.305
  517    HB   THR  69           HB       THR  69  -7.428  -3.188  17.801
  518    HG1  THR  69           HG1      THR  69  -5.835  -2.490  19.015
  519   1HG2  THR  69          HG23      THR  69  -6.842  -2.506  15.348
  520   2HG2  THR  69          HG22      THR  69  -5.445  -1.723  16.089
  521   3HG2  THR  69          HG21      THR  69  -5.683  -3.460  16.275
  522    H    SER  70           HN       SER  70  -9.931  -2.831  17.734
  523    HA   SER  70           HA       SER  70 -11.582  -1.309  19.460
  524   1HB   SER  70           HB2      SER  70 -12.355  -3.293  18.234
  525   2HB   SER  70           HB1      SER  70 -11.274  -4.306  19.185
  526    HG   SER  70           HG       SER  70 -13.589  -2.896  19.984
  527    H    SER  71           HN       SER  71  -8.832  -3.324  20.057
  528    HA   SER  71           HA       SER  71  -9.123  -3.604  22.910
  529   1HB   SER  71           HB2      SER  71  -6.587  -4.087  22.730
  530   2HB   SER  71           HB1      SER  71  -7.688  -5.177  21.892
  531    HG   SER  71           HG       SER  71  -5.843  -4.347  20.651
  532    H    GLY  72           HN       GLY  72  -8.107  -0.979  20.907
  533   1HA   GLY  72           HA2      GLY  72  -7.847   1.275  21.837
  534   2HA   GLY  72           HA1      GLY  72  -7.256   0.530  23.325
  535    H    GLN  73           HN       GLN  73  -5.952  -1.040  20.562
  536    HA   GLN  73           HA       GLN  73  -3.331   0.303  21.042
  537   1HB   GLN  73           HB2      GLN  73  -3.908  -2.208  19.442
  538   2HB   GLN  73           HB1      GLN  73  -2.334  -1.636  19.995
  539   1HG   GLN  73           HG2      GLN  73  -3.038  -1.920  22.337
  540   2HG   GLN  73           HG1      GLN  73  -4.625  -2.474  21.797
  541   1HE2  GLN  73          HE22      GLN  73  -3.039  -5.483  20.270
  542   2HE2  GLN  73          HE21      GLN  73  -3.978  -4.190  19.696
  543    H    HIS  74           HN       HIS  74  -2.018   0.905  19.134
  544    HA   HIS  74           HA       HIS  74  -3.717   1.665  16.791
  545   1HB   HIS  74           HB2      HIS  74  -1.355   2.982  18.118
  546   2HB   HIS  74           HB1      HIS  74  -1.802   3.368  16.475
  547    HD1  HIS  74           HD1      HIS  74  -2.612   5.750  16.972
  548    HD2  HIS  74           HD2      HIS  74  -4.570   2.859  19.245
  549    HE1  HIS  74           HE1      HIS  74  -4.560   6.917  18.093
  550    H    GLU  75           HN       GLU  75  -2.638   1.518  14.710
  551    HA   GLU  75           HA       GLU  75  -0.165  -0.110  14.618
  552   1HB   GLU  75           HB2      GLU  75  -2.554  -0.803  12.906
  553   2HB   GLU  75           HB1      GLU  75  -1.069  -1.726  13.121
  554   1HG   GLU  75           HG2      GLU  75  -2.964  -1.150  15.406
  555   2HG   GLU  75           HG1      GLU  75  -3.097  -2.590  14.400
  556    H    GLY  76           HN       GLY  76   0.313  -0.447  12.085
  557   1HA   GLY  76           HA2      GLY  76   1.172   0.648  10.205
  558   2HA   GLY  76           HA1      GLY  76  -0.397   1.450  10.147
  559    H    ARG  77           HN       ARG  77   0.338   3.472   9.608
  560    HA   ARG  77           HA       ARG  77   1.236   5.630   9.904
  561   1HB   ARG  77           HB2      ARG  77  -0.166   5.148  12.073
  562   2HB   ARG  77           HB1      ARG  77   1.413   5.047  12.851
  563   1HG   ARG  77           HG2      ARG  77   1.748   7.324  11.422
  564   2HG   ARG  77           HG1      ARG  77   0.011   7.403  11.714
  565   1HD   ARG  77           HD2      ARG  77   0.536   8.264  13.739
  566   2HD   ARG  77           HD1      ARG  77   1.036   6.632  14.182
  567    HE   ARG  77           HE       ARG  77   3.236   7.807  12.872
  568   1HH1  ARG  77          HH21      ARG  77   1.652   9.934  14.682
  569   2HH1  ARG  77          HH22      ARG  77   2.737   9.970  16.032
  570   1HH2  ARG  77          HH11      ARG  77   4.489   7.147  15.037
  571   2HH2  ARG  77          HH12      ARG  77   4.344   8.393  16.233
  572    H    LEU  78           HN       LEU  78   3.091   3.149   9.782
  573    HA   LEU  78           HA       LEU  78   5.430   3.969  11.346
  574   1HB   LEU  78           HB2      LEU  78   4.971   1.744   9.344
  575   2HB   LEU  78           HB1      LEU  78   6.493   1.999  10.199
  576    HG   LEU  78           HG       LEU  78   4.198   2.014  12.022
  577   1HD1  LEU  78          HD12      LEU  78   4.653  -0.365  10.219
  578   2HD1  LEU  78          HD11      LEU  78   3.967  -0.546  11.834
  579   3HD1  LEU  78          HD13      LEU  78   3.131   0.428  10.624
  580   1HD2  LEU  78          HD21      LEU  78   6.786   0.455  11.780
  581   2HD2  LEU  78          HD23      LEU  78   6.441   1.801  12.865
  582   3HD2  LEU  78          HD22      LEU  78   5.656   0.242  13.117
  583    H    LEU  79           HN       LEU  79   4.150   4.728   8.224
  584    HA   LEU  79           HA       LEU  79   6.561   5.042   6.726
  585   1HB   LEU  79           HB2      LEU  79   3.896   5.390   6.184
  586   2HB   LEU  79           HB1      LEU  79   4.448   7.064   6.255
  587    HG   LEU  79           HG       LEU  79   6.414   6.214   4.757
  588   1HD1  LEU  79          HD13      LEU  79   5.710   3.804   5.080
  589   2HD1  LEU  79          HD12      LEU  79   4.298   4.154   4.083
  590   3HD1  LEU  79          HD11      LEU  79   5.918   4.289   3.397
  591   1HD2  LEU  79          HD22      LEU  79   3.579   6.815   4.008
  592   2HD2  LEU  79          HD21      LEU  79   5.042   7.746   3.689
  593   3HD2  LEU  79          HD23      LEU  79   4.685   6.310   2.731
  594    H    GLN  80           HN       GLN  80   8.158   5.965   8.012
  595    HA   GLN  80           HA       GLN  80   7.897   8.886   8.500
  596   1HB   GLN  80           HB2      GLN  80   8.542   6.767  10.542
  597   2HB   GLN  80           HB1      GLN  80   9.163   8.407  10.721
  598   1HG   GLN  80           HG2      GLN  80   6.546   8.919  10.134
  599   2HG   GLN  80           HG1      GLN  80   6.398   7.396  11.012
  600   1HE2  GLN  80          HE22      GLN  80   7.452  10.784  13.008
  601   2HE2  GLN  80          HE21      GLN  80   7.250  10.797  11.323
  602    H    ASP  81           HN       ASP  81  10.174   9.567   9.454
  603    HA   ASP  81           HA       ASP  81  12.058   9.464   7.391
  604   1HB   ASP  81           HB2      ASP  81  12.382  10.044  10.354
  605   2HB   ASP  81           HB1      ASP  81  13.676  10.281   9.178
  606    H    LEU  82           HN       LEU  82  13.739   8.219   6.911
  607    HA   LEU  82           HA       LEU  82  14.546   5.938   8.647
  608   1HB   LEU  82           HB2      LEU  82  13.783   5.946   5.731
  609   2HB   LEU  82           HB1      LEU  82  14.950   4.774   6.304
  610    HG   LEU  82           HG       LEU  82  12.197   5.151   7.516
  611   1HD1  LEU  82          HD12      LEU  82  12.214   4.341   5.100
  612   2HD1  LEU  82          HD11      LEU  82  13.125   2.938   5.659
  613   3HD1  LEU  82          HD13      LEU  82  11.489   3.221   6.253
  614   1HD2  LEU  82          HD22      LEU  82  14.284   2.956   7.769
  615   2HD2  LEU  82          HD21      LEU  82  13.881   4.135   9.015
  616   3HD2  LEU  82          HD23      LEU  82  12.690   2.934   8.520
  617    HA   PRO  83           HA       PRO  83  18.611   7.431   7.817
  618   1HB   PRO  83           HB2      PRO  83  20.101   5.189   7.216
  619   2HB   PRO  83           HB1      PRO  83  19.607   5.648   8.855
  620   1HG   PRO  83           HG2      PRO  83  18.471   3.536   7.064
  621   2HG   PRO  83           HG1      PRO  83  18.573   3.569   8.833
  622   1HD   PRO  83           HD2      PRO  83  16.261   4.099   7.388
  623   2HD   PRO  83           HD1      PRO  83  16.545   4.652   9.048
  624    H    GLY  84           HN       GLY  84  18.399   8.676   5.995
  625   1HA   GLY  84           HA2      GLY  84  19.221   9.272   3.840
  626   2HA   GLY  84           HA1      GLY  84  19.431   7.563   3.462
  627    H    CYS  85           HN       CYS  85  16.328   8.158   4.829
  628    HA   CYS  85           HA       CYS  85  15.083   8.657   2.175
  629   1HB   CYS  85           HB2      CYS  85  13.951   6.481   3.910
  630   2HB   CYS  85           HB1      CYS  85  13.719   6.749   2.191
  631    HA   PRO  86           HA       PRO  86  12.969  11.063   5.530
  632   1HB   PRO  86           HB2      PRO  86  12.394  13.245   3.935
  633   2HB   PRO  86           HB1      PRO  86  13.889  13.066   4.844
  634   1HG   PRO  86           HG2      PRO  86  13.421  12.740   1.926
  635   2HG   PRO  86           HG1      PRO  86  14.904  13.207   2.777
  636   1HD   PRO  86           HD2      PRO  86  14.384  10.675   1.701
  637   2HD   PRO  86           HD1      PRO  86  15.640  11.034   2.900
  638    H    ARG  87           HN       ARG  87  10.691  11.905   5.632
  639    HA   ARG  87           HA       ARG  87   8.703  10.246   4.613
  640   1HB   ARG  87           HB2      ARG  87   8.504  13.216   5.175
  641   2HB   ARG  87           HB1      ARG  87   7.149  12.106   5.071
  642   1HG   ARG  87           HG2      ARG  87   9.113  11.074   6.915
  643   2HG   ARG  87           HG1      ARG  87   8.701  12.732   7.346
  644   1HD   ARG  87           HD2      ARG  87   6.746  10.448   6.942
  645   2HD   ARG  87           HD1      ARG  87   7.160  11.210   8.476
  646    HE   ARG  87           HE       ARG  87   6.088  13.051   6.459
  647   1HH1  ARG  87          HH11      ARG  87   4.377  10.570   7.562
  648   2HH1  ARG  87          HH12      ARG  87   3.362  11.437   8.666
  649   1HH2  ARG  87          HH21      ARG  87   5.258  14.336   8.549
  650   2HH2  ARG  87          HH22      ARG  87   3.859  13.567   9.223
  651    H    GLN  88           HN       GLN  88  10.310  12.963   3.123
  652    HA   GLN  88           HA       GLN  88   8.453  13.629   1.078
  653   1HB   GLN  88           HB2      GLN  88  10.543  14.887   1.739
  654   2HB   GLN  88           HB1      GLN  88  11.462  13.715   0.794
  655   1HG   GLN  88           HG2      GLN  88  10.485  14.398  -1.235
  656   2HG   GLN  88           HG1      GLN  88   9.128  15.181  -0.424
  657   1HE2  GLN  88          HE22      GLN  88  10.774  18.283  -0.420
  658   2HE2  GLN  88          HE21      GLN  88   9.313  17.420  -0.477
  659    H    VAL  89           HN       VAL  89  11.172  11.289   0.868
  660    HA   VAL  89           HA       VAL  89  10.721  10.619  -1.876
  661    HB   VAL  89           HB       VAL  89  12.110   9.074   0.317
  662   1HG1  VAL  89          HG13      VAL  89  12.294   8.971  -2.709
  663   2HG1  VAL  89          HG12      VAL  89  13.436   8.179  -1.624
  664   3HG1  VAL  89          HG11      VAL  89  11.746   7.675  -1.646
  665   1HG2  VAL  89          HG22      VAL  89  12.914  11.309  -1.503
  666   2HG2  VAL  89          HG21      VAL  89  13.067  11.203   0.251
  667   3HG2  VAL  89          HG23      VAL  89  14.107  10.225  -0.784
  668    H    GLN  90           HN       GLN  90   9.681   9.086   1.157
  669    HA   GLN  90           HA       GLN  90   8.442   6.838  -0.209
  670   1HB   GLN  90           HB2      GLN  90   7.406   6.327   1.989
  671   2HB   GLN  90           HB1      GLN  90   9.149   6.551   2.096
  672   1HG   GLN  90           HG2      GLN  90   8.324   9.094   2.548
  673   2HG   GLN  90           HG1      GLN  90   6.952   8.206   3.207
  674   1HE2  GLN  90          HE22      GLN  90  10.622   7.380   4.891
  675   2HE2  GLN  90          HE21      GLN  90  10.526   7.647   3.218
  676    H    ARG  91           HN       ARG  91   7.428  10.067   0.616
  677    HA   ARG  91           HA       ARG  91   4.567   9.511   0.303
  678   1HB   ARG  91           HB2      ARG  91   5.796  11.489   1.596
  679   2HB   ARG  91           HB1      ARG  91   5.620  12.295   0.039
  680   1HG   ARG  91           HG2      ARG  91   3.625  12.843   1.170
  681   2HG   ARG  91           HG1      ARG  91   3.156  11.487   0.144
  682   1HD   ARG  91           HD2      ARG  91   3.668   9.967   2.120
  683   2HD   ARG  91           HD1      ARG  91   3.796  11.427   3.100
  684    HE   ARG  91           HE       ARG  91   1.301  10.399   1.854
  685   1HH1  ARG  91          HH21      ARG  91   0.069  12.623   1.751
  686   2HH1  ARG  91          HH22      ARG  91  -0.069  13.354   3.315
  687   1HH2  ARG  91          HH11      ARG  91   2.393  11.380   4.747
  688   2HH2  ARG  91          HH12      ARG  91   1.245  12.651   5.010
  689    H    ALA  92           HN       ALA  92   7.185  10.706  -1.767
  690    HA   ALA  92           HA       ALA  92   5.415  11.450  -3.963
  691   1HB   ALA  92           HB2      ALA  92   8.372  11.276  -3.539
  692   2HB   ALA  92           HB1      ALA  92   7.766  11.302  -5.196
  693   3HB   ALA  92           HB3      ALA  92   7.397  12.635  -4.102
  694    H    PHE  93           HN       PHE  93   7.546   8.698  -3.266
  695    HA   PHE  93           HA       PHE  93   6.868   7.269  -5.716
  696   1HB   PHE  93           HB2      PHE  93   9.060   6.930  -4.740
  697   2HB   PHE  93           HB1      PHE  93   8.351   6.453  -3.202
  698    HD1  PHE  93           HD2      PHE  93   7.081   4.288  -3.025
  699    HD2  PHE  93           HD1      PHE  93   9.262   5.384  -6.558
  700    HE1  PHE  93           HE2      PHE  93   7.008   1.933  -3.801
  701    HE2  PHE  93           HE1      PHE  93   9.190   3.030  -7.335
  702    HZ   PHE  93           HZ       PHE  93   8.063   1.303  -5.957
  703    H    ALA  94           HN       ALA  94   5.618   7.395  -2.455
  704    HA   ALA  94           HA       ALA  94   4.417   4.987  -1.989
  705   1HB   ALA  94           HB1      ALA  94   3.703   7.789  -1.348
  706   2HB   ALA  94           HB3      ALA  94   2.408   6.606  -1.155
  707   3HB   ALA  94           HB2      ALA  94   3.924   6.406  -0.277
  708    HA   PRO  95           HA       PRO  95   0.541   5.979  -4.641
  709   1HB   PRO  95           HB2      PRO  95   0.747   8.000  -6.507
  710   2HB   PRO  95           HB1      PRO  95   0.083   8.208  -4.878
  711   1HG   PRO  95           HG2      PRO  95   2.745   9.036  -5.944
  712   2HG   PRO  95           HG1      PRO  95   1.782   9.756  -4.642
  713   1HD   PRO  95           HD2      PRO  95   4.005   8.104  -4.275
  714   2HD   PRO  95           HD1      PRO  95   2.802   8.456  -3.033
  715    H    LYS  96           HN       LYS  96   0.182   6.108  -7.319
  716    HA   LYS  96           HA       LYS  96   0.618   4.976  -9.321
  717   1HB   LYS  96           HB2      LYS  96   3.458   5.519  -8.411
  718   2HB   LYS  96           HB1      LYS  96   3.078   4.741  -9.943
  719   1HG   LYS  96           HG2      LYS  96   1.429   7.078  -9.696
  720   2HG   LYS  96           HG1      LYS  96   3.094   7.537  -9.341
  721   1HD   LYS  96           HD2      LYS  96   3.013   7.757 -11.669
  722   2HD   LYS  96           HD1      LYS  96   3.661   6.128 -11.476
  723   1HE   LYS  96           HE2      LYS  96   1.935   5.865 -13.069
  724   2HE   LYS  96           HE1      LYS  96   1.196   5.349 -11.552
  725   1HZ   LYS  96           HZ1      LYS  96   1.007   8.128 -12.559
  726   2HZ   LYS  96           HZ3      LYS  96  -0.136   6.938 -12.949
  727   3HZ   LYS  96           HZ2      LYS  96   0.092   7.396 -11.329
  728    H    LEU  97           HN       LEU  97   0.522   3.617  -6.562
  729    HA   LEU  97           HA       LEU  97   2.170   1.239  -6.715
  730   1HB   LEU  97           HB2      LEU  97   0.722   2.453  -4.747
  731   2HB   LEU  97           HB1      LEU  97  -0.322   1.088  -5.133
  732    HG   LEU  97           HG       LEU  97   2.587   0.507  -4.880
  733   1HD1  LEU  97          HD12      LEU  97   1.995   2.102  -2.988
  734   2HD1  LEU  97          HD11      LEU  97   0.846   0.884  -2.431
  735   3HD1  LEU  97          HD13      LEU  97   2.569   0.513  -2.479
  736   1HD2  LEU  97          HD22      LEU  97   0.907  -1.238  -5.388
  737   2HD2  LEU  97          HD21      LEU  97   1.679  -1.536  -3.831
  738   3HD2  LEU  97          HD23      LEU  97   0.056  -0.851  -3.893
  739    H    VAL  98           HN       VAL  98  -1.448   1.474  -7.004
  740    HA   VAL  98           HA       VAL  98  -1.592  -1.193  -8.187
  741    HB   VAL  98           HB       VAL  98  -3.976  -0.802  -8.161
  742   1HG1  VAL  98          HG13      VAL  98  -2.480  -1.198  -6.064
  743   2HG1  VAL  98          HG12      VAL  98  -2.931   0.456  -5.650
  744   3HG1  VAL  98          HG11      VAL  98  -4.177  -0.779  -5.836
  745   1HG2  VAL  98          HG21      VAL  98  -3.079   2.023  -7.980
  746   2HG2  VAL  98          HG23      VAL  98  -4.545   1.359  -8.699
  747   3HG2  VAL  98          HG22      VAL  98  -4.452   1.604  -6.955
  748    H    THR  99           HN       THR  99  -0.143   0.773  -9.807
  749    HA   THR  99           HA       THR  99  -1.906   1.017 -12.177
  750    HB   THR  99           HB       THR  99  -0.485   2.807 -12.964
  751    HG1  THR  99           HG1      THR  99   1.484   3.194 -12.132
  752   1HG2  THR  99          HG23      THR  99  -2.018   3.171 -10.896
  753   2HG2  THR  99          HG22      THR  99  -0.498   3.313 -10.012
  754   3HG2  THR  99          HG21      THR  99  -0.857   4.425 -11.334
  755    H    GLU 100           HN       GLU 100  -0.470   0.797 -14.343
  756    HA   GLU 100           HA       GLU 100   0.443  -1.887 -14.433
  757   1HB   GLU 100           HB2      GLU 100   0.468   0.453 -16.238
  758   2HB   GLU 100           HB1      GLU 100   1.716  -0.748 -16.572
  759   1HG   GLU 100           HG2      GLU 100  -1.028  -1.778 -16.034
  760   2HG   GLU 100           HG1      GLU 100  -0.773  -0.951 -17.571
  761    H    VAL 101           HN       VAL 101   2.160   0.648 -12.841
  762    HA   VAL 101           HA       VAL 101   4.808  -0.379 -13.662
  763    HB   VAL 101           HB       VAL 101   4.137   1.842 -11.714
  764   1HG1  VAL 101          HG13      VAL 101   6.636   0.794 -13.005
  765   2HG1  VAL 101          HG12      VAL 101   6.521   2.510 -12.614
  766   3HG1  VAL 101          HG11      VAL 101   6.374   1.303 -11.337
  767   1HG2  VAL 101          HG21      VAL 101   3.277   2.111 -14.126
  768   2HG2  VAL 101          HG23      VAL 101   4.332   3.385 -13.518
  769   3HG2  VAL 101          HG22      VAL 101   4.974   2.153 -14.603
  770    H    GLU 102           HN       GLU 102   2.535  -1.385 -11.425
  771    HA   GLU 102           HA       GLU 102   4.656  -2.626  -9.781
  772   1HB   GLU 102           HB2      GLU 102   2.860  -0.496  -8.841
  773   2HB   GLU 102           HB1      GLU 102   2.909  -1.910  -7.788
  774   1HG   GLU 102           HG2      GLU 102   5.387  -0.504  -8.818
  775   2HG   GLU 102           HG1      GLU 102   4.644  -0.155  -7.257
  776    H    CYS 103           HN       CYS 103   1.267  -2.498  -8.708
  777    HA   CYS 103           HA       CYS 103   0.907  -5.338  -9.633
  778   1HB   CYS 103           HB2      CYS 103  -0.017  -4.349  -6.928
  779   2HB   CYS 103           HB1      CYS 103   0.135  -6.010  -7.492
  780    H    ASN 104           HN       ASN 104  -0.267  -3.209 -11.099
  781    HA   ASN 104           HA       ASN 104  -2.657  -2.065 -10.431
  782   1HB   ASN 104           HB2      ASN 104  -1.592  -1.790 -12.594
  783   2HB   ASN 104           HB1      ASN 104  -1.983  -3.434 -13.037
  784   1HD2  ASN 104          HD22      ASN 104  -4.702  -1.769 -14.693
  785   2HD2  ASN 104          HD21      ASN 104  -3.131  -2.368 -14.925
  786    H    LEU 105           HN       LEU 105  -3.042  -4.967 -12.437
  787    HA   LEU 105           HA       LEU 105  -4.741  -6.600 -12.400
  788   1HB   LEU 105           HB2      LEU 105  -4.291  -6.324  -9.416
  789   2HB   LEU 105           HB1      LEU 105  -5.061  -7.692 -10.219
  790    HG   LEU 105           HG       LEU 105  -2.352  -6.860 -11.162
  791   1HD1  LEU 105          HD11      LEU 105  -3.013  -7.972  -8.475
  792   2HD1  LEU 105          HD13      LEU 105  -1.632  -8.671  -9.322
  793   3HD1  LEU 105          HD12      LEU 105  -1.667  -6.943  -8.965
  794   1HD2  LEU 105          HD22      LEU 105  -3.739  -9.527 -10.742
  795   2HD2  LEU 105          HD21      LEU 105  -3.608  -8.669 -12.277
  796   3HD2  LEU 105          HD23      LEU 105  -2.161  -9.305 -11.495
  797    H    ALA 106           HN       ALA 106  -5.659  -3.653 -12.120
  798    HA   ALA 106           HA       ALA 106  -7.741  -2.586 -12.040
  799   1HB   ALA 106           HB1      ALA 106  -8.415  -5.111 -12.698
  800   2HB   ALA 106           HB3      ALA 106  -9.192  -5.018 -11.119
  801   3HB   ALA 106           HB2      ALA 106  -9.617  -3.862 -12.381
  802    H    THR 107           HN       THR 107  -9.148  -1.647 -10.451
  803    HA   THR 107           HA       THR 107  -8.593  -2.457  -7.612
  804    HB   THR 107           HB       THR 107  -8.203  -0.209  -6.962
  805    HG1  THR 107           HG1      THR 107  -9.182   1.435  -7.880
  806   1HG2  THR 107          HG23      THR 107  -6.556  -1.183  -8.769
  807   2HG2  THR 107          HG22      THR 107  -7.212   0.118  -9.760
  808   3HG2  THR 107          HG21      THR 107  -6.410   0.492  -8.236
  809    H    ILE 108           HN       ILE 108 -10.346  -0.589  -6.396
  810    HA   ILE 108           HA       ILE 108 -12.940  -1.809  -6.808
  811    HB   ILE 108           HB       ILE 108 -12.243  -0.809  -4.622
  812   1HG1  ILE 108          HG12      ILE 108 -14.591   0.792  -5.608
  813   2HG1  ILE 108          HG11      ILE 108 -14.695  -0.967  -5.546
  814   1HG2  ILE 108          HG21      ILE 108 -11.050   1.173  -5.643
  815   2HG2  ILE 108          HG23      ILE 108 -12.629   1.869  -6.003
  816   3HG2  ILE 108          HG22      ILE 108 -12.146   1.599  -4.330
  817   1HD1  ILE 108          HD12      ILE 108 -13.629   0.427  -3.134
  818   2HD1  ILE 108          HD11      ILE 108 -15.360   0.557  -3.449
  819   3HD1  ILE 108          HD13      ILE 108 -14.619  -1.030  -3.245
  820    H    HIS 109           HN       HIS 109 -11.371   1.154  -7.808
  821    HA   HIS 109           HA       HIS 109 -13.557   2.499  -9.071
  822   1HB   HIS 109           HB2      HIS 109 -10.596   2.630  -9.570
  823   2HB   HIS 109           HB1      HIS 109 -11.792   3.788 -10.144
  824    HD1  HIS 109           HD1      HIS 109 -12.626   5.545  -8.474
  825    HD2  HIS 109           HD2      HIS 109 -10.201   2.669  -6.681
  826    HE1  HIS 109           HE1      HIS 109 -11.940   6.461  -6.198
  827    H    GLY 110           HN       GLY 110 -12.134  -0.453 -10.032
  828   1HA   GLY 110           HA2      GLY 110 -12.133  -1.640 -12.040
  829   2HA   GLY 110           HA1      GLY 110 -13.432  -0.559 -12.554
  830    H    GLY 111           HN       GLY 111 -10.301   0.675 -11.565
  831   1HA   GLY 111           HA2      GLY 111  -9.501   1.115 -14.392
  832   2HA   GLY 111           HA1      GLY 111  -9.658   2.513 -13.333
  833    HA   PRO 112           HA       PRO 112  -5.379   0.708 -12.796
  834   1HB   PRO 112           HB2      PRO 112  -4.005   2.534 -14.375
  835   2HB   PRO 112           HB1      PRO 112  -4.618   0.988 -14.970
  836   1HG   PRO 112           HG2      PRO 112  -5.555   3.729 -15.539
  837   2HG   PRO 112           HG1      PRO 112  -5.956   2.230 -16.391
  838   1HD   PRO 112           HD2      PRO 112  -7.558   3.665 -14.424
  839   2HD   PRO 112           HD1      PRO 112  -8.002   2.219 -15.357
  840    H    PHE 113           HN       PHE 113  -6.618   2.170 -10.937
  841    HA   PHE 113           HA       PHE 113  -4.639   3.710  -9.588
  842   1HB   PHE 113           HB2      PHE 113  -5.279   5.976  -9.996
  843   2HB   PHE 113           HB1      PHE 113  -5.300   5.267 -11.603
  844    HD1  PHE 113           HD2      PHE 113  -7.850   3.728 -11.624
  845    HD2  PHE 113           HD1      PHE 113  -6.986   7.597  -9.956
  846    HE1  PHE 113           HE2      PHE 113 -10.223   4.338 -11.803
  847    HE2  PHE 113           HE1      PHE 113  -9.376   8.192 -10.141
  848    HZ   PHE 113           HZ       PHE 113 -10.982   6.553 -11.045
  849    H    CYS 114           HN       CYS 114  -6.330   5.533  -8.239
  850    HA   CYS 114           HA       CYS 114  -8.680   4.033  -7.415
  851   1HB   CYS 114           HB2      CYS 114  -6.398   3.775  -5.925
  852   2HB   CYS 114           HB1      CYS 114  -7.304   4.983  -5.056
  853    H    LEU 115           HN       LEU 115  -9.783   5.894  -8.444
  854    HA   LEU 115           HA       LEU 115  -9.563   8.573  -8.233
  855   1HB   LEU 115           HB2      LEU 115 -11.485   6.962  -9.169
  856   2HB   LEU 115           HB1      LEU 115 -12.323   7.597  -7.762
  857    HG   LEU 115           HG       LEU 115 -10.973   9.774  -9.081
  858   1HD1  LEU 115          HD12      LEU 115 -12.491   7.882 -10.861
  859   2HD1  LEU 115          HD11      LEU 115 -12.534   9.617 -11.177
  860   3HD1  LEU 115          HD13      LEU 115 -10.994   8.757 -11.188
  861   1HD2  LEU 115          HD22      LEU 115 -13.179   9.526  -7.635
  862   2HD2  LEU 115          HD21      LEU 115 -13.044  10.804  -8.842
  863   3HD2  LEU 115          HD23      LEU 115 -13.938   9.331  -9.215
  864    H    SER 116           HN       SER 116 -11.269  10.062  -7.028
  865    HA   SER 116           HA       SER 116 -12.023  11.054  -4.996
  866   1HB   SER 116           HB2      SER 116 -12.445   8.530  -4.323
  867   2HB   SER 116           HB1      SER 116 -10.956   8.721  -3.402
  868    HG   SER 116           HG       SER 116 -12.641   9.331  -2.091
  869    H    LEU 117           HN       LEU 117  -9.491  11.499  -6.292
  870    HA   LEU 117           HA       LEU 117  -7.415  11.472  -4.209
  871   1HB   LEU 117           HB2      LEU 117  -6.780  12.691  -6.844
  872   2HB   LEU 117           HB1      LEU 117  -5.839  11.583  -5.871
  873    HG   LEU 117           HG       LEU 117  -6.311  10.416  -7.859
  874   1HD1  LEU 117          HD11      LEU 117  -8.361   9.489  -5.849
  875   2HD1  LEU 117          HD13      LEU 117  -7.893   8.602  -7.285
  876   3HD1  LEU 117          HD12      LEU 117  -6.715   8.924  -6.026
  877   1HD2  LEU 117          HD22      LEU 117  -8.503  12.086  -8.124
  878   2HD2  LEU 117          HD21      LEU 117  -8.050  10.783  -9.223
  879   3HD2  LEU 117          HD23      LEU 117  -9.227  10.490  -7.945
  880    H    LEU 118           HN       LEU 118  -9.869  13.423  -4.428
  881    HA   LEU 118           HA       LEU 118  -9.194  15.978  -5.210
  882   1HB   LEU 118           HB2      LEU 118 -10.977  15.008  -2.998
  883   2HB   LEU 118           HB1      LEU 118 -10.650  16.730  -3.164
  884    HG   LEU 118           HG       LEU 118 -11.156  16.063  -5.761
  885   1HD1  LEU 118          HD12      LEU 118 -12.539  14.088  -3.976
  886   2HD1  LEU 118          HD11      LEU 118 -13.376  14.677  -5.413
  887   3HD1  LEU 118          HD13      LEU 118 -11.830  13.845  -5.573
  888   1HD2  LEU 118          HD21      LEU 118 -13.157  16.803  -3.602
  889   2HD2  LEU 118          HD23      LEU 118 -12.197  17.923  -4.570
  890   3HD2  LEU 118          HD22      LEU 118 -13.456  16.952  -5.333
  891    H    GLY 119           HN       GLY 119  -7.741  14.403  -2.408
  892   1HA   GLY 119           HA2      GLY 119  -6.155  15.163  -0.868
  893   2HA   GLY 119           HA1      GLY 119  -5.597  16.177  -2.197
  894    H    ALA 120           HN       ALA 120  -8.410  16.128   0.033
  895    HA   ALA 120           HA       ALA 120  -9.414  17.851   1.273
  896   1HB   ALA 120           HB1      ALA 120  -6.535  18.264   1.411
  897   2HB   ALA 120           HB3      ALA 120  -7.413  19.790   1.537
  898   3HB   ALA 120           HB2      ALA 120  -7.756  18.480   2.666
  899    H    GLY 121           HN       GLY 121 -10.553  18.153  -0.875
  900   1HA   GLY 121           HA2      GLY 121  -9.893  20.158  -2.766
  901   2HA   GLY 121           HA1      GLY 121 -11.535  19.610  -2.426
  902    H    GLU 122           HN       GLU 122 -11.107  20.421   0.494
  903    HA   GLU 122           HA       GLU 122 -12.244  23.067   0.299
  904   1HB   GLU 122           HB2      GLU 122 -11.908  21.089   2.316
  905   2HB   GLU 122           HB1      GLU 122 -11.141  22.555   2.924
  906   1HG   GLU 122           HG2      GLU 122 -13.884  22.640   1.668
  907   2HG   GLU 122           HG1      GLU 122 -13.674  22.247   3.374
   
  No H/Q in entry =         907
  Start of MODEL          18
 Raw file had  930 H/Q atoms
  Start of MODEL   18
    1   1H    SER   1           HT3      SER   1 -25.900  -6.179   1.318
    2   2H    SER   1           HT2      SER   1 -26.224  -6.620  -0.290
    3   3H    SER   1           HT1      SER   1 -24.790  -7.134   0.462
    4    HA   SER   1           HA       SER   1 -24.265  -5.342  -1.014
    5   1HB   SER   1           HB2      SER   1 -26.231  -3.700   0.606
    6   2HB   SER   1           HB1      SER   1 -25.342  -3.188  -0.826
    7    HG   SER   1           HG       SER   1 -27.447  -5.060  -0.594
    8    H    VAL   2           HN       VAL   2 -22.261  -5.453  -0.055
    9    HA   VAL   2           HA       VAL   2 -21.881  -4.512   2.730
   10    HB   VAL   2           HB       VAL   2 -19.531  -5.286   2.362
   11   1HG1  VAL   2          HG11      VAL   2 -21.636  -6.755   2.989
   12   2HG1  VAL   2          HG13      VAL   2 -21.343  -7.479   1.408
   13   3HG1  VAL   2          HG12      VAL   2 -20.088  -7.529   2.646
   14   1HG2  VAL   2          HG21      VAL   2 -19.735  -4.818  -0.184
   15   2HG2  VAL   2          HG23      VAL   2 -18.847  -6.257   0.318
   16   3HG2  VAL   2          HG22      VAL   2 -20.504  -6.402  -0.269
   17    H    GLY   3           HN       GLY   3 -22.612  -2.514   0.605
   18   1HA   GLY   3           HA2      GLY   3 -20.131  -0.975   0.169
   19   2HA   GLY   3           HA1      GLY   3 -21.735  -0.554  -0.433
   20    H    THR   4           HN       THR   4 -19.614  -0.468   2.371
   21    HA   THR   4           HA       THR   4 -20.687   1.998   3.357
   22    HB   THR   4           HB       THR   4 -22.622   0.676   4.000
   23    HG1  THR   4           HG1      THR   4 -22.593   1.719   5.798
   24   1HG2  THR   4          HG21      THR   4 -20.547  -1.283   4.689
   25   2HG2  THR   4          HG23      THR   4 -21.787  -1.113   5.932
   26   3HG2  THR   4          HG22      THR   4 -22.244  -1.535   4.283
   27    H    SER   5           HN       SER   5 -18.268   2.129   3.211
   28    HA   SER   5           HA       SER   5 -16.159   2.233   4.225
   29   1HB   SER   5           HB2      SER   5 -17.940   2.691   6.241
   30   2HB   SER   5           HB1      SER   5 -17.123   1.257   6.854
   31    HG   SER   5           HG       SER   5 -15.677   2.678   7.443
   32    H    CYS   6           HN       CYS   6 -14.633   0.773   5.673
   33    HA   CYS   6           HA       CYS   6 -15.120  -2.080   4.906
   34   1HB   CYS   6           HB2      CYS   6 -12.415  -0.793   5.349
   35   2HB   CYS   6           HB1      CYS   6 -12.760  -2.347   4.591
   36    H    ILE   7           HN       ILE   7 -14.113  -3.673   6.413
   37    HA   ILE   7           HA       ILE   7 -14.051  -2.648   9.219
   38    HB   ILE   7           HB       ILE   7 -14.979  -4.899   9.864
   39   1HG1  ILE   7          HG12      ILE   7 -15.388  -5.139   6.861
   40   2HG1  ILE   7          HG11      ILE   7 -14.240  -6.087   7.804
   41   1HG2  ILE   7          HG21      ILE   7 -16.311  -2.707   9.289
   42   2HG2  ILE   7          HG23      ILE   7 -16.837  -3.620   7.875
   43   3HG2  ILE   7          HG22      ILE   7 -17.189  -4.222   9.495
   44   1HD1  ILE   7          HD12      ILE   7 -16.120  -6.986   9.156
   45   2HD1  ILE   7          HD11      ILE   7 -17.253  -6.078   8.154
   46   3HD1  ILE   7          HD13      ILE   7 -16.295  -7.378   7.445
   47    HA   PRO   8           HA       PRO   8 -10.031  -4.630   9.153
   48   1HB   PRO   8           HB2      PRO   8  -9.369  -4.245  11.790
   49   2HB   PRO   8           HB1      PRO   8  -9.288  -2.966  10.566
   50   1HG   PRO   8           HG2      PRO   8 -11.269  -3.343  12.753
   51   2HG   PRO   8           HG1      PRO   8 -10.799  -1.858  11.909
   52   1HD   PRO   8           HD2      PRO   8 -13.152  -3.395  11.457
   53   2HD   PRO   8           HD1      PRO   8 -12.562  -2.043  10.468
   54    H    GLY   9           HN       GLY   9  -8.955  -6.550  10.156
   55   1HA   GLY   9           HA2      GLY   9  -8.896  -8.665  11.160
   56   2HA   GLY   9           HA1      GLY   9 -10.257  -8.173  12.159
   57    H    MET  10           HN       MET  10 -11.086  -7.679   8.929
   58    HA   MET  10           HA       MET  10 -12.133 -10.433   8.531
   59   1HB   MET  10           HB2      MET  10 -13.721  -7.864   8.603
   60   2HB   MET  10           HB1      MET  10 -14.308  -9.297   7.759
   61   1HG   MET  10           HG2      MET  10 -15.200  -9.805   9.803
   62   2HG   MET  10           HG1      MET  10 -13.575 -10.408  10.128
   63   1HE   MET  10           HE1      MET  10 -14.461 -10.220  12.553
   64   2HE   MET  10           HE3      MET  10 -14.688  -8.712  13.452
   65   3HE   MET  10           HE2      MET  10 -15.895  -9.235  12.280
   66    H    ALA  11           HN       ALA  11 -10.780 -10.782   6.584
   67    HA   ALA  11           HA       ALA  11 -10.463 -10.699   4.251
   68   1HB   ALA  11           HB3      ALA  11 -12.723  -9.281   4.260
   69   2HB   ALA  11           HB2      ALA  11 -11.609  -7.945   3.970
   70   3HB   ALA  11           HB1      ALA  11 -11.667  -9.304   2.848
   71    H    ILE  12           HN       ILE  12 -10.231  -7.454   5.728
   72    HA   ILE  12           HA       ILE  12  -7.484  -7.157   4.661
   73    HB   ILE  12           HB       ILE  12  -9.075  -5.054   6.144
   74   1HG1  ILE  12          HG12      ILE  12  -9.053  -5.527   3.145
   75   2HG1  ILE  12          HG11      ILE  12 -10.408  -5.906   4.207
   76   1HG2  ILE  12          HG23      ILE  12  -6.514  -5.198   4.711
   77   2HG2  ILE  12          HG22      ILE  12  -7.526  -3.852   4.187
   78   3HG2  ILE  12          HG21      ILE  12  -7.082  -4.011   5.885
   79   1HD1  ILE  12          HD13      ILE  12  -9.872  -3.303   4.905
   80   2HD1  ILE  12          HD12      ILE  12  -9.503  -3.295   3.180
   81   3HD1  ILE  12          HD11      ILE  12 -11.100  -3.794   3.737
   82    HA   PRO  13           HA       PRO  13  -6.706  -8.310   9.011
   83   1HB   PRO  13           HB2      PRO  13  -4.170  -9.296   8.664
   84   2HB   PRO  13           HB1      PRO  13  -5.647 -10.237   8.404
   85   1HG   PRO  13           HG2      PRO  13  -3.755  -9.168   6.397
   86   2HG   PRO  13           HG1      PRO  13  -4.958 -10.455   6.224
   87   1HD   PRO  13           HD2      PRO  13  -5.153  -7.736   5.340
   88   2HD   PRO  13           HD1      PRO  13  -6.401  -8.998   5.202
   89    H    HIS  14           HN       HIS  14  -4.735  -7.822  10.526
   90    HA   HIS  14           HA       HIS  14  -4.163  -4.990  10.257
   91   1HB   HIS  14           HB2      HIS  14  -3.393  -6.980  12.424
   92   2HB   HIS  14           HB1      HIS  14  -3.377  -5.238  12.548
   93    HD1  HIS  14           HD1      HIS  14  -5.540  -4.093  13.239
   94    HD2  HIS  14           HD2      HIS  14  -6.109  -8.063  12.110
   95    HE1  HIS  14           HE1      HIS  14  -7.951  -4.661  13.811
   96    H    ASN  15           HN       ASN  15  -2.058  -4.077  10.000
   97    HA   ASN  15           HA       ASN  15   0.209  -3.896   9.565
   98   1HB   ASN  15           HB2      ASN  15   0.325  -5.456  11.566
   99   2HB   ASN  15           HB1      ASN  15   0.484  -6.782  10.415
  100   1HD2  ASN  15          HD22      ASN  15   3.567  -4.077  10.757
  101   2HD2  ASN  15          HD21      ASN  15   2.006  -3.620  11.241
  102    HA   PRO  16           HA       PRO  16  -0.161  -6.510   5.646
  103   1HB   PRO  16           HB2      PRO  16  -1.625  -4.885   4.009
  104   2HB   PRO  16           HB1      PRO  16  -2.365  -6.111   5.052
  105   1HG   PRO  16           HG2      PRO  16  -2.352  -3.151   5.362
  106   2HG   PRO  16           HG1      PRO  16  -3.504  -4.340   5.990
  107   1HD   PRO  16           HD2      PRO  16  -1.403  -3.069   7.448
  108   2HD   PRO  16           HD1      PRO  16  -2.442  -4.403   7.986
  109    H    LEU  17           HN       LEU  17   0.529  -5.770   3.395
  110    HA   LEU  17           HA       LEU  17   2.182  -4.832   2.052
  111   1HB   LEU  17           HB2      LEU  17   0.512  -2.637   3.141
  112   2HB   LEU  17           HB1      LEU  17   2.008  -2.153   2.340
  113    HG   LEU  17           HG       LEU  17   1.087  -4.029   0.586
  114   1HD1  LEU  17          HD13      LEU  17  -1.006  -4.223   2.000
  115   2HD1  LEU  17          HD12      LEU  17  -1.378  -2.557   1.551
  116   3HD1  LEU  17          HD11      LEU  17  -1.293  -3.808   0.310
  117   1HD2  LEU  17          HD23      LEU  17   1.680  -1.402   0.490
  118   2HD2  LEU  17          HD22      LEU  17   0.903  -2.244  -0.851
  119   3HD2  LEU  17          HD21      LEU  17  -0.069  -1.300   0.279
  120    H    ASP  18           HN       ASP  18   3.399  -5.743   4.402
  121    HA   ASP  18           HA       ASP  18   5.119  -3.638   5.511
  122   1HB   ASP  18           HB2      ASP  18   6.336  -5.558   6.583
  123   2HB   ASP  18           HB1      ASP  18   4.604  -5.552   6.920
  124    H    SER  19           HN       SER  19   5.452  -6.268   3.192
  125    HA   SER  19           HA       SER  19   8.205  -5.928   2.530
  126   1HB   SER  19           HB2      SER  19   6.389  -7.769   1.848
  127   2HB   SER  19           HB1      SER  19   6.249  -6.744   0.420
  128    HG   SER  19           HG       SER  19   8.381  -7.064  -0.010
  129    H    CYS  20           HN       CYS  20   5.332  -4.153   1.690
  130    HA   CYS  20           HA       CYS  20   6.389  -2.838  -0.650
  131   1HB   CYS  20           HB2      CYS  20   4.108  -2.003   1.141
  132   2HB   CYS  20           HB1      CYS  20   4.400  -1.466  -0.514
  133    H    ARG  21           HN       ARG  21   6.325  -2.128   2.812
  134    HA   ARG  21           HA       ARG  21   7.300   0.572   2.509
  135   1HB   ARG  21           HB2      ARG  21   6.152   0.156   4.540
  136   2HB   ARG  21           HB1      ARG  21   7.103  -1.266   4.919
  137   1HG   ARG  21           HG2      ARG  21   8.619   1.273   4.586
  138   2HG   ARG  21           HG1      ARG  21   7.578   1.165   6.006
  139   1HD   ARG  21           HD2      ARG  21   8.654  -0.980   6.619
  140   2HD   ARG  21           HD1      ARG  21   9.714  -0.837   5.217
  141    HE   ARG  21           HE       ARG  21  10.614   1.261   6.301
  142   1HH1  ARG  21          HH21      ARG  21   8.249   0.047   8.325
  143   2HH1  ARG  21          HH22      ARG  21   9.233  -0.005   9.750
  144   1HH2  ARG  21          HH11      ARG  21  12.179   0.703   8.064
  145   2HH2  ARG  21          HH12      ARG  21  11.456   0.364   9.600
  146    H    TRP  22           HN       TRP  22   8.908  -2.603   3.152
  147    HA   TRP  22           HA       TRP  22  11.539  -1.382   3.266
  148   1HB   TRP  22           HB2      TRP  22  10.674  -4.244   3.025
  149   2HB   TRP  22           HB1      TRP  22  12.345  -3.786   2.768
  150    HD1  TRP  22           HD1      TRP  22  10.246  -4.852   5.438
  151    HE1  TRP  22           HE1      TRP  22  11.176  -4.109   7.742
  152    HE3  TRP  22           HE3      TRP  22  13.542  -1.484   3.837
  153    HZ2  TRP  22           HZ2      TRP  22  13.159  -2.229   8.730
  154    HZ3  TRP  22           HZ3      TRP  22  14.985  -0.189   5.414
  155    HH2  TRP  22           HH2      TRP  22  14.791  -0.567   7.865
  156    H    TYR  23           HN       TYR  23   9.444  -2.502   0.732
  157    HA   TYR  23           HA       TYR  23  11.450  -2.746  -1.309
  158   1HB   TYR  23           HB2      TYR  23   9.187  -3.797  -1.409
  159   2HB   TYR  23           HB1      TYR  23   8.500  -2.208  -1.714
  160    HD1  TYR  23           HD2      TYR  23  11.720  -3.699  -2.995
  161    HD2  TYR  23           HD1      TYR  23   7.775  -2.280  -3.948
  162    HE1  TYR  23           HE2      TYR  23  12.225  -3.913  -5.405
  163    HE2  TYR  23           HE1      TYR  23   8.288  -2.496  -6.361
  164    HH   TYR  23           HH       TYR  23  10.240  -4.190  -7.681
  165    H    VAL  24           HN       VAL  24   9.442  -0.021  -0.138
  166    HA   VAL  24           HA       VAL  24  10.289   1.742  -2.298
  167    HB   VAL  24           HB       VAL  24   9.367   2.522   0.483
  168   1HG1  VAL  24          HG12      VAL  24   9.958   4.046  -2.049
  169   2HG1  VAL  24          HG11      VAL  24   8.766   4.666  -0.908
  170   3HG1  VAL  24          HG13      VAL  24  10.437   4.422  -0.395
  171   1HG2  VAL  24          HG21      VAL  24   7.932   1.815  -2.046
  172   2HG2  VAL  24          HG23      VAL  24   7.459   1.512  -0.375
  173   3HG2  VAL  24          HG22      VAL  24   7.275   3.125  -1.065
  174    H    SER  25           HN       SER  25  11.440   0.913   0.965
  175    HA   SER  25           HA       SER  25  13.497   2.852   1.193
  176   1HB   SER  25           HB2      SER  25  13.983   0.054   2.146
  177   2HB   SER  25           HB1      SER  25  14.370   1.583   2.930
  178    HG   SER  25           HG       SER  25  12.500   0.353   3.769
  179    H    THR  26           HN       THR  26  13.501  -0.297  -0.469
  180    HA   THR  26           HA       THR  26  16.327  -0.206  -1.153
  181    HB   THR  26           HB       THR  26  14.080  -1.960  -2.190
  182    HG1  THR  26           HG1      THR  26  14.658  -3.294  -0.613
  183   1HG2  THR  26          HG23      THR  26  16.873  -1.719  -3.011
  184   2HG2  THR  26          HG22      THR  26  16.490  -3.338  -2.429
  185   3HG2  THR  26          HG21      THR  26  15.563  -2.637  -3.754
  186    H    ARG  27           HN       ARG  27  13.386   0.183  -3.175
  187    HA   ARG  27           HA       ARG  27  14.771   0.767  -5.593
  188   1HB   ARG  27           HB2      ARG  27  12.311   0.167  -5.359
  189   2HB   ARG  27           HB1      ARG  27  12.037   1.831  -4.846
  190   1HG   ARG  27           HG2      ARG  27  11.744   2.193  -7.080
  191   2HG   ARG  27           HG1      ARG  27  13.506   2.259  -7.092
  192   1HD   ARG  27           HD2      ARG  27  13.626  -0.113  -7.673
  193   2HD   ARG  27           HD1      ARG  27  11.871  -0.250  -7.571
  194    HE   ARG  27           HE       ARG  27  13.253   1.445  -9.614
  195   1HH1  ARG  27          HH21      ARG  27  10.864   2.297 -10.274
  196   2HH1  ARG  27          HH22      ARG  27   9.965   1.014 -11.013
  197   1HH2  ARG  27          HH11      ARG  27  12.043  -1.490  -9.818
  198   2HH2  ARG  27          HH12      ARG  27  10.632  -1.128 -10.754
  199    H    THR  28           HN       THR  28  14.040   2.736  -2.821
  200    HA   THR  28           HA       THR  28  14.584   5.238  -4.265
  201    HB   THR  28           HB       THR  28  13.839   6.341  -2.205
  202    HG1  THR  28           HG1      THR  28  13.705   5.317  -0.371
  203   1HG2  THR  28          HG22      THR  28  12.193   3.999  -3.142
  204   2HG2  THR  28          HG21      THR  28  11.571   5.228  -2.041
  205   3HG2  THR  28          HG23      THR  28  12.083   5.677  -3.668
  206    H    CYS  29           HN       CYS  29  15.903   3.979  -1.106
  207    HA   CYS  29           HA       CYS  29  18.414   5.446  -1.739
  208   1HB   CYS  29           HB2      CYS  29  17.846   4.123   0.899
  209   2HB   CYS  29           HB1      CYS  29  18.889   5.499   0.558
  210    H    GLY  30           HN       GLY  30  17.419   2.531  -2.493
  211   1HA   GLY  30           HA2      GLY  30  18.485   0.459  -2.906
  212   2HA   GLY  30           HA1      GLY  30  20.006   1.333  -2.721
  213    H    VAL  31           HN       VAL  31  17.671   1.359  -0.114
  214    HA   VAL  31           HA       VAL  31  19.509  -0.339   1.527
  215    HB   VAL  31           HB       VAL  31  17.453   1.703   2.432
  216   1HG1  VAL  31          HG11      VAL  31  19.549   0.082   3.905
  217   2HG1  VAL  31          HG13      VAL  31  18.723   1.473   4.608
  218   3HG1  VAL  31          HG12      VAL  31  17.803   0.041   4.150
  219   1HG2  VAL  31          HG23      VAL  31  19.791   2.278   1.182
  220   2HG2  VAL  31          HG22      VAL  31  19.102   3.292   2.448
  221   3HG2  VAL  31          HG21      VAL  31  20.365   2.125   2.841
  222    H    GLY  32           HN       GLY  32  18.380  -1.705   3.213
  223   1HA   GLY  32           HA2      GLY  32  16.062  -2.607   3.853
  224   2HA   GLY  32           HA1      GLY  32  15.846  -2.767   2.106
  225    HA   PRO  33           HA       PRO  33  17.937  -6.656   3.903
  226   1HB   PRO  33           HB2      PRO  33  16.070  -8.504   3.024
  227   2HB   PRO  33           HB1      PRO  33  16.083  -7.790   4.646
  228   1HG   PRO  33           HG2      PRO  33  14.358  -7.104   2.292
  229   2HG   PRO  33           HG1      PRO  33  13.954  -7.102   4.018
  230   1HD   PRO  33           HD2      PRO  33  14.473  -4.821   2.606
  231   2HD   PRO  33           HD1      PRO  33  14.776  -4.973   4.350
  232    H    ARG  34           HN       ARG  34  18.652  -8.599   2.438
  233    HA   ARG  34           HA       ARG  34  19.236  -7.487  -0.234
  234   1HB   ARG  34           HB2      ARG  34  20.490  -9.498   1.564
  235   2HB   ARG  34           HB1      ARG  34  20.662  -9.783  -0.168
  236   1HG   ARG  34           HG2      ARG  34  21.151  -7.009   0.819
  237   2HG   ARG  34           HG1      ARG  34  22.378  -8.225   1.177
  238   1HD   ARG  34           HD2      ARG  34  22.521  -8.801  -1.212
  239   2HD   ARG  34           HD1      ARG  34  21.273  -7.611  -1.582
  240    HE   ARG  34           HE       ARG  34  24.059  -6.997  -0.765
  241   1HH1  ARG  34          HH21      ARG  34  23.034  -4.799   0.468
  242   2HH1  ARG  34          HH22      ARG  34  22.532  -3.690  -0.765
  243   1HH2  ARG  34          HH11      ARG  34  22.469  -6.088  -3.267
  244   2HH2  ARG  34          HH12      ARG  34  22.213  -4.420  -2.879
  245    H    LEU  35           HN       LEU  35  17.159  -7.807  -1.124
  246    HA   LEU  35           HA       LEU  35  16.646 -10.605  -2.027
  247   1HB   LEU  35           HB2      LEU  35  14.843  -8.744  -0.600
  248   2HB   LEU  35           HB1      LEU  35  14.140  -9.464  -2.046
  249    HG   LEU  35           HG       LEU  35  13.676 -10.851  -0.065
  250   1HD1  LEU  35          HD12      LEU  35  14.467 -11.750  -2.473
  251   2HD1  LEU  35          HD11      LEU  35  15.727 -12.479  -1.478
  252   3HD1  LEU  35          HD13      LEU  35  14.030 -12.838  -1.155
  253   1HD2  LEU  35          HD23      LEU  35  16.140 -10.083   0.818
  254   2HD2  LEU  35          HD22      LEU  35  15.253 -11.463   1.465
  255   3HD2  LEU  35          HD21      LEU  35  16.495 -11.710   0.237
  256    H    ALA  36           HN       ALA  36  16.023 -10.754  -4.214
  257    HA   ALA  36           HA       ALA  36  16.840  -8.642  -5.962
  258   1HB   ALA  36           HB2      ALA  36  15.532 -11.298  -6.273
  259   2HB   ALA  36           HB1      ALA  36  15.327 -10.161  -7.605
  260   3HB   ALA  36           HB3      ALA  36  16.946 -10.636  -7.094
  261    H    THR  37           HN       THR  37  15.554  -7.049  -7.086
  262    HA   THR  37           HA       THR  37  13.275  -5.967  -5.888
  263    HB   THR  37           HB       THR  37  12.824  -5.125  -8.369
  264    HG1  THR  37           HG1      THR  37  14.626  -5.298  -9.640
  265   1HG2  THR  37          HG21      THR  37  14.856  -4.419  -6.330
  266   2HG2  THR  37          HG23      THR  37  15.073  -3.692  -7.923
  267   3HG2  THR  37          HG22      THR  37  13.571  -3.435  -7.032
  268    H    GLN  38           HN       GLN  38  13.194  -7.970  -8.875
  269    HA   GLN  38           HA       GLN  38  10.444  -8.167  -9.206
  270   1HB   GLN  38           HB2      GLN  38  12.755  -9.857  -9.909
  271   2HB   GLN  38           HB1      GLN  38  11.226 -10.732  -9.834
  272   1HG   GLN  38           HG2      GLN  38  10.489  -8.451 -11.177
  273   2HG   GLN  38           HG1      GLN  38  12.135  -8.693 -11.763
  274   1HE2  GLN  38          HE22      GLN  38  11.355 -11.803 -13.398
  275   2HE2  GLN  38          HE21      GLN  38  12.618 -10.949 -12.651
  276    H    GLU  39           HN       GLU  39  12.398 -10.114  -6.955
  277    HA   GLU  39           HA       GLU  39  10.310 -11.873  -6.096
  278   1HB   GLU  39           HB2      GLU  39  12.737 -10.852  -4.585
  279   2HB   GLU  39           HB1      GLU  39  11.726 -12.204  -4.075
  280   1HG   GLU  39           HG2      GLU  39  12.231 -13.068  -6.536
  281   2HG   GLU  39           HG1      GLU  39  13.649 -12.034  -6.359
  282    H    MET  40           HN       MET  40  11.470  -8.775  -4.769
  283    HA   MET  40           HA       MET  40   9.717  -8.568  -2.550
  284   1HB   MET  40           HB2      MET  40  11.745  -7.109  -3.322
  285   2HB   MET  40           HB1      MET  40  10.528  -6.190  -4.191
  286   1HG   MET  40           HG2      MET  40   9.729  -5.262  -2.318
  287   2HG   MET  40           HG1      MET  40   9.721  -6.785  -1.444
  288   1HE   MET  40           HE2      MET  40  11.274  -7.699  -0.089
  289   2HE   MET  40           HE1      MET  40  12.554  -6.835   0.758
  290   3HE   MET  40           HE3      MET  40  10.870  -6.319   0.930
  291    H    LYS  41           HN       LYS  41   9.430  -7.020  -5.745
  292    HA   LYS  41           HA       LYS  41   6.843  -5.941  -5.510
  293   1HB   LYS  41           HB2      LYS  41   8.387  -5.569  -7.448
  294   2HB   LYS  41           HB1      LYS  41   8.006  -7.195  -8.015
  295   1HG   LYS  41           HG2      LYS  41   5.523  -6.414  -7.849
  296   2HG   LYS  41           HG1      LYS  41   6.204  -4.787  -7.849
  297   1HD   LYS  41           HD2      LYS  41   7.041  -4.991 -10.011
  298   2HD   LYS  41           HD1      LYS  41   7.122  -6.751  -9.922
  299   1HE   LYS  41           HE2      LYS  41   4.744  -6.961 -10.148
  300   2HE   LYS  41           HE1      LYS  41   4.506  -5.229  -9.912
  301   1HZ   LYS  41           HZ2      LYS  41   6.171  -6.220 -12.133
  302   2HZ   LYS  41           HZ1      LYS  41   4.480  -6.172 -12.287
  303   3HZ   LYS  41           HZ3      LYS  41   5.344  -4.743 -11.992
  304    H    ALA  42           HN       ALA  42   7.856  -9.251  -6.073
  305    HA   ALA  42           HA       ALA  42   5.332 -10.340  -6.911
  306   1HB   ALA  42           HB2      ALA  42   7.801 -11.368  -6.814
  307   2HB   ALA  42           HB1      ALA  42   7.213 -11.983  -5.270
  308   3HB   ALA  42           HB3      ALA  42   6.373 -12.401  -6.764
  309    H    ARG  43           HN       ARG  43   6.933 -10.051  -3.754
  310    HA   ARG  43           HA       ARG  43   4.958 -11.273  -2.123
  311   1HB   ARG  43           HB2      ARG  43   6.664  -8.885  -1.348
  312   2HB   ARG  43           HB1      ARG  43   5.956 -10.077  -0.263
  313   1HG   ARG  43           HG2      ARG  43   8.132 -10.584  -2.316
  314   2HG   ARG  43           HG1      ARG  43   8.322 -10.579  -0.566
  315   1HD   ARG  43           HD2      ARG  43   6.390 -12.385  -0.691
  316   2HD   ARG  43           HD1      ARG  43   7.015 -12.608  -2.323
  317    HE   ARG  43           HE       ARG  43   8.684 -12.935   0.141
  318   1HH1  ARG  43          HH11      ARG  43  10.114 -12.585  -2.487
  319   2HH1  ARG  43          HH12      ARG  43  10.350 -14.227  -2.984
  320   1HH2  ARG  43          HH21      ARG  43   8.007 -15.508  -0.770
  321   2HH2  ARG  43          HH22      ARG  43   9.156 -15.883  -2.012
  322    H    CYS  44           HN       CYS  44   5.482  -7.790  -2.619
  323    HA   CYS  44           HA       CYS  44   3.179  -6.819  -1.348
  324   1HB   CYS  44           HB2      CYS  44   4.799  -5.730  -3.613
  325   2HB   CYS  44           HB1      CYS  44   3.321  -4.921  -3.077
  326    H    CYS  45           HN       CYS  45   3.471  -8.105  -4.657
  327    HA   CYS  45           HA       CYS  45   0.838  -7.172  -5.479
  328   1HB   CYS  45           HB2      CYS  45   2.855  -9.070  -6.662
  329   2HB   CYS  45           HB1      CYS  45   1.238  -8.940  -7.343
  330    H    ARG  46           HN       ARG  46   2.115 -10.061  -3.962
  331    HA   ARG  46           HA       ARG  46  -0.261 -11.681  -4.324
  332   1HB   ARG  46           HB2      ARG  46   2.168 -12.389  -3.642
  333   2HB   ARG  46           HB1      ARG  46   1.648 -12.014  -2.012
  334   1HG   ARG  46           HG2      ARG  46  -0.145 -13.715  -3.692
  335   2HG   ARG  46           HG1      ARG  46   1.300 -14.450  -2.997
  336   1HD   ARG  46           HD2      ARG  46   0.124 -12.897  -0.930
  337   2HD   ARG  46           HD1      ARG  46  -1.188 -13.797  -1.694
  338    HE   ARG  46           HE       ARG  46   0.330 -15.851  -1.330
  339   1HH1  ARG  46          HH21      ARG  46  -0.793 -13.779   0.984
  340   2HH1  ARG  46          HH22      ARG  46   0.335 -14.225   2.220
  341   1HH2  ARG  46          HH11      ARG  46   2.331 -16.099   0.092
  342   2HH2  ARG  46          HH12      ARG  46   2.104 -15.538   1.714
  343    H    GLN  47           HN       GLN  47   0.907  -9.357  -1.950
  344    HA   GLN  47           HA       GLN  47  -1.272  -9.845  -0.051
  345   1HB   GLN  47           HB2      GLN  47   0.637  -7.498  -0.246
  346   2HB   GLN  47           HB1      GLN  47  -0.346  -7.936   1.151
  347   1HG   GLN  47           HG2      GLN  47   1.041 -10.287   0.559
  348   2HG   GLN  47           HG1      GLN  47   2.231  -9.015   0.283
  349   1HE2  GLN  47          HE22      GLN  47   2.813  -8.716   3.732
  350   2HE2  GLN  47          HE21      GLN  47   3.435  -8.688   2.153
  351    H    LEU  48           HN       LEU  48  -0.628  -7.678  -2.720
  352    HA   LEU  48           HA       LEU  48  -2.682  -5.755  -2.220
  353   1HB   LEU  48           HB2      LEU  48  -0.558  -5.705  -3.792
  354   2HB   LEU  48           HB1      LEU  48  -1.617  -6.438  -4.976
  355    HG   LEU  48           HG       LEU  48  -1.417  -3.958  -5.157
  356   1HD1  LEU  48          HD12      LEU  48  -3.793  -5.544  -5.221
  357   2HD1  LEU  48          HD11      LEU  48  -4.206  -3.920  -4.676
  358   3HD1  LEU  48          HD13      LEU  48  -3.362  -4.151  -6.204
  359   1HD2  LEU  48          HD22      LEU  48  -1.805  -4.031  -2.377
  360   2HD2  LEU  48          HD21      LEU  48  -1.705  -2.602  -3.400
  361   3HD2  LEU  48          HD23      LEU  48  -3.274  -3.306  -3.028
  362    H    GLU  49           HN       GLU  49  -2.542  -8.724  -4.228
  363    HA   GLU  49           HA       GLU  49  -5.362  -8.463  -4.979
  364   1HB   GLU  49           HB2      GLU  49  -3.320  -9.766  -6.166
  365   2HB   GLU  49           HB1      GLU  49  -3.952 -11.096  -5.194
  366   1HG   GLU  49           HG2      GLU  49  -6.213 -10.688  -6.130
  367   2HG   GLU  49           HG1      GLU  49  -5.548  -9.402  -7.138
  368    H    ALA  50           HN       ALA  50  -3.484  -9.998  -2.424
  369    HA   ALA  50           HA       ALA  50  -5.329 -11.914  -1.428
  370   1HB   ALA  50           HB1      ALA  50  -3.354 -10.128   0.033
  371   2HB   ALA  50           HB3      ALA  50  -4.238 -11.441   0.809
  372   3HB   ALA  50           HB2      ALA  50  -3.095 -11.794  -0.486
  373    H    ILE  51           HN       ILE  51  -4.977  -8.450  -0.827
  374    HA   ILE  51           HA       ILE  51  -7.421  -8.279   0.795
  375    HB   ILE  51           HB       ILE  51  -5.833  -6.020  -0.467
  376   1HG1  ILE  51          HG12      ILE  51  -4.352  -7.417   0.929
  377   2HG1  ILE  51          HG11      ILE  51  -4.649  -5.864   1.699
  378   1HG2  ILE  51          HG21      ILE  51  -8.220  -5.715   0.520
  379   2HG2  ILE  51          HG23      ILE  51  -7.437  -5.938   2.084
  380   3HG2  ILE  51          HG22      ILE  51  -6.955  -4.604   1.041
  381   1HD1  ILE  51          HD12      ILE  51  -6.711  -7.471   2.656
  382   2HD1  ILE  51          HD11      ILE  51  -5.320  -8.556   2.622
  383   3HD1  ILE  51          HD13      ILE  51  -5.239  -7.046   3.526
  384    HA   PRO  52           HA       PRO  52  -9.506  -8.642  -3.197
  385   1HB   PRO  52           HB2      PRO  52 -12.081  -8.295  -2.220
  386   2HB   PRO  52           HB1      PRO  52 -11.215  -9.839  -2.299
  387   1HG   PRO  52           HG2      PRO  52 -11.612  -8.013   0.059
  388   2HG   PRO  52           HG1      PRO  52 -11.573  -9.788   0.007
  389   1HD   PRO  52           HD2      PRO  52  -9.431  -8.310   0.872
  390   2HD   PRO  52           HD1      PRO  52  -9.237  -9.875   0.048
  391    H    ALA  53           HN       ALA  53 -10.255  -7.238  -4.684
  392    HA   ALA  53           HA       ALA  53  -9.519  -4.691  -4.917
  393   1HB   ALA  53           HB2      ALA  53 -12.112  -5.855  -5.892
  394   2HB   ALA  53           HB1      ALA  53 -11.490  -4.293  -6.428
  395   3HB   ALA  53           HB3      ALA  53 -10.571  -5.764  -6.747
  396    H    TYR  54           HN       TYR  54 -12.386  -5.556  -3.024
  397    HA   TYR  54           HA       TYR  54 -13.442  -2.907  -2.730
  398   1HB   TYR  54           HB2      TYR  54 -13.736  -5.513  -1.322
  399   2HB   TYR  54           HB1      TYR  54 -14.164  -4.074  -0.395
  400    HD1  TYR  54           HD1      TYR  54 -14.891  -6.014  -3.471
  401    HD2  TYR  54           HD2      TYR  54 -16.095  -2.747  -0.955
  402    HE1  TYR  54           HE1      TYR  54 -17.046  -5.868  -4.692
  403    HE2  TYR  54           HE2      TYR  54 -18.249  -2.600  -2.176
  404    HH   TYR  54           HH       TYR  54 -18.839  -3.641  -4.995
  405    H    CYS  55           HN       CYS  55 -12.583  -1.202  -1.654
  406    HA   CYS  55           HA       CYS  55 -11.450   0.056  -0.012
  407   1HB   CYS  55           HB2      CYS  55 -10.537  -2.538   1.256
  408   2HB   CYS  55           HB1      CYS  55 -10.650  -0.945   1.995
  409    H    ARG  56           HN       ARG  56 -10.068  -1.407  -2.532
  410    HA   ARG  56           HA       ARG  56  -7.369  -1.962  -2.027
  411   1HB   ARG  56           HB2      ARG  56  -8.612  -0.498  -4.373
  412   2HB   ARG  56           HB1      ARG  56  -6.923  -1.006  -4.340
  413   1HG   ARG  56           HG2      ARG  56  -8.826  -3.123  -3.598
  414   2HG   ARG  56           HG1      ARG  56  -9.009  -2.549  -5.246
  415   1HD   ARG  56           HD2      ARG  56  -7.225  -3.779  -5.850
  416   2HD   ARG  56           HD1      ARG  56  -6.214  -2.826  -4.766
  417    HE   ARG  56           HE       ARG  56  -7.068  -5.539  -4.290
  418   1HH1  ARG  56          HH11      ARG  56  -8.573  -4.254  -2.089
  419   2HH1  ARG  56          HH12      ARG  56  -7.395  -4.088  -0.840
  420   1HH2  ARG  56          HH21      ARG  56  -4.695  -4.609  -2.921
  421   2HH2  ARG  56          HH22      ARG  56  -5.213  -4.314  -1.299
  422    H    CYS  57           HN       CYS  57  -7.847   1.183  -3.621
  423    HA   CYS  57           HA       CYS  57  -5.660   2.547  -2.702
  424   1HB   CYS  57           HB2      CYS  57  -8.441   3.722  -2.966
  425   2HB   CYS  57           HB1      CYS  57  -6.936   4.648  -2.972
  426    H    GLU  58           HN       GLU  58  -8.662   2.338  -0.644
  427    HA   GLU  58           HA       GLU  58  -8.048   4.008   1.449
  428   1HB   GLU  58           HB2      GLU  58  -9.174   1.205   1.519
  429   2HB   GLU  58           HB1      GLU  58  -9.116   2.242   2.945
  430   1HG   GLU  58           HG2      GLU  58 -10.204   3.951   1.103
  431   2HG   GLU  58           HG1      GLU  58 -10.861   2.406   0.561
  432    H    ALA  59           HN       ALA  59  -6.771   0.623   1.226
  433    HA   ALA  59           HA       ALA  59  -5.288   0.386   3.519
  434   1HB   ALA  59           HB2      ALA  59  -4.464  -0.391   0.722
  435   2HB   ALA  59           HB1      ALA  59  -3.630  -0.944   2.174
  436   3HB   ALA  59           HB3      ALA  59  -5.314  -1.393   1.899
  437    H    VAL  60           HN       VAL  60  -4.147   2.128   0.642
  438    HA   VAL  60           HA       VAL  60  -1.555   2.838   1.506
  439    HB   VAL  60           HB       VAL  60  -3.408   4.630  -0.087
  440   1HG1  VAL  60          HG11      VAL  60  -1.022   5.313   0.782
  441   2HG1  VAL  60          HG13      VAL  60  -0.459   4.274  -0.528
  442   3HG1  VAL  60          HG12      VAL  60  -1.479   5.669  -0.883
  443   1HG2  VAL  60          HG23      VAL  60  -2.301   1.982  -0.714
  444   2HG2  VAL  60          HG22      VAL  60  -3.556   2.900  -1.548
  445   3HG2  VAL  60          HG21      VAL  60  -1.857   3.208  -1.901
  446    H    ARG  61           HN       ARG  61  -4.624   4.585   1.892
  447    HA   ARG  61           HA       ARG  61  -3.657   6.806   3.387
  448   1HB   ARG  61           HB2      ARG  61  -6.080   6.130   2.404
  449   2HB   ARG  61           HB1      ARG  61  -6.337   5.732   4.104
  450   1HG   ARG  61           HG2      ARG  61  -5.951   7.936   4.813
  451   2HG   ARG  61           HG1      ARG  61  -5.086   8.360   3.336
  452   1HD   ARG  61           HD2      ARG  61  -7.201   9.401   3.092
  453   2HD   ARG  61           HD1      ARG  61  -7.321   7.935   2.120
  454    HE   ARG  61           HE       ARG  61  -8.275   7.115   4.562
  455   1HH1  ARG  61          HH21      ARG  61  -9.693   8.188   1.878
  456   2HH1  ARG  61          HH22      ARG  61 -11.000   9.051   2.619
  457   1HH2  ARG  61          HH11      ARG  61  -9.629   8.922   5.802
  458   2HH2  ARG  61          HH12      ARG  61 -10.963   9.466   4.841
  459    H    ILE  62           HN       ILE  62  -4.397   3.523   4.376
  460    HA   ILE  62           HA       ILE  62  -4.339   4.070   7.252
  461    HB   ILE  62           HB       ILE  62  -4.277   1.516   5.602
  462   1HG1  ILE  62          HG12      ILE  62  -6.438   2.192   7.533
  463   2HG1  ILE  62          HG11      ILE  62  -6.351   3.169   6.067
  464   1HG2  ILE  62          HG23      ILE  62  -3.895   1.928   8.538
  465   2HG2  ILE  62          HG22      ILE  62  -4.934   0.595   8.037
  466   3HG2  ILE  62          HG21      ILE  62  -3.259   0.660   7.491
  467   1HD1  ILE  62          HD12      ILE  62  -6.110   0.208   5.767
  468   2HD1  ILE  62          HD11      ILE  62  -7.705   0.863   6.133
  469   3HD1  ILE  62          HD13      ILE  62  -6.846   1.390   4.685
  470    H    LEU  63           HN       LEU  63  -1.972   3.233   4.803
  471    HA   LEU  63           HA       LEU  63   0.047   2.431   6.744
  472   1HB   LEU  63           HB2      LEU  63  -0.019   1.658   4.326
  473   2HB   LEU  63           HB1      LEU  63   0.505   3.279   3.873
  474    HG   LEU  63           HG       LEU  63   2.325   2.685   5.821
  475   1HD1  LEU  63          HD12      LEU  63   1.276   0.346   5.883
  476   2HD1  LEU  63          HD11      LEU  63   1.973   0.106   4.280
  477   3HD1  LEU  63          HD13      LEU  63   3.024   0.411   5.663
  478   1HD2  LEU  63          HD23      LEU  63   2.460   3.380   3.257
  479   2HD2  LEU  63          HD22      LEU  63   3.864   2.707   4.085
  480   3HD2  LEU  63          HD21      LEU  63   2.872   1.677   3.053
  481    H    MET  64           HN       MET  64  -0.563   5.404   4.859
  482    HA   MET  64           HA       MET  64   1.723   6.736   6.098
  483   1HB   MET  64           HB2      MET  64   0.818   7.329   3.802
  484   2HB   MET  64           HB1      MET  64  -0.563   8.079   4.608
  485   1HG   MET  64           HG2      MET  64   1.878   8.974   5.871
  486   2HG   MET  64           HG1      MET  64   1.991   9.229   4.132
  487   1HE   MET  64           HE3      MET  64   1.924  10.832   6.741
  488   2HE   MET  64           HE2      MET  64   1.812  12.205   5.640
  489   3HE   MET  64           HE1      MET  64   0.617  12.011   6.920
  490    H    ASP  65           HN       ASP  65  -1.842   7.063   6.405
  491    HA   ASP  65           HA       ASP  65  -1.501   8.865   8.684
  492   1HB   ASP  65           HB2      ASP  65  -3.973   7.873   7.226
  493   2HB   ASP  65           HB1      ASP  65  -4.099   8.617   8.821
  494    H    GLY  66           HN       GLY  66  -1.896   5.437   8.286
  495   1HA   GLY  66           HA2      GLY  66  -1.655   3.805  10.005
  496   2HA   GLY  66           HA1      GLY  66  -1.696   5.097  11.200
  497    H    VAL  67           HN       VAL  67  -3.201   2.544  11.106
  498    HA   VAL  67           HA       VAL  67  -5.999   3.625  11.112
  499    HB   VAL  67           HB       VAL  67  -5.762   1.920   9.396
  500   1HG1  VAL  67          HG13      VAL  67  -4.698   0.175  11.634
  501   2HG1  VAL  67          HG12      VAL  67  -5.045  -0.378   9.996
  502   3HG1  VAL  67          HG11      VAL  67  -3.765   0.802  10.276
  503   1HG2  VAL  67          HG23      VAL  67  -7.807   1.946  10.959
  504   2HG2  VAL  67          HG22      VAL  67  -7.539   0.474  10.024
  505   3HG2  VAL  67          HG21      VAL  67  -7.087   0.529  11.727
  506    H    VAL  68           HN       VAL  68  -7.409   2.683  12.791
  507    HA   VAL  68           HA       VAL  68  -5.852   1.936  15.223
  508    HB   VAL  68           HB       VAL  68  -8.438   3.512  14.991
  509   1HG1  VAL  68          HG12      VAL  68  -6.962   2.457  17.426
  510   2HG1  VAL  68          HG11      VAL  68  -8.165   3.744  17.508
  511   3HG1  VAL  68          HG13      VAL  68  -8.632   2.131  16.969
  512   1HG2  VAL  68          HG21      VAL  68  -5.567   4.146  15.542
  513   2HG2  VAL  68          HG23      VAL  68  -6.766   5.076  14.642
  514   3HG2  VAL  68          HG22      VAL  68  -6.795   5.071  16.405
  515    H    THR  69           HN       THR  69  -6.926   0.538  16.714
  516    HA   THR  69           HA       THR  69  -8.770  -1.412  15.437
  517    HB   THR  69           HB       THR  69  -7.702  -3.084  17.001
  518    HG1  THR  69           HG1      THR  69  -6.058  -2.484  18.203
  519   1HG2  THR  69          HG22      THR  69  -6.353  -1.712  14.734
  520   2HG2  THR  69          HG21      THR  69  -5.375  -2.829  15.687
  521   3HG2  THR  69          HG23      THR  69  -6.846  -3.397  14.898
  522    H    SER  70           HN       SER  70 -10.199  -2.488  16.901
  523    HA   SER  70           HA       SER  70 -11.633  -0.732  18.615
  524   1HB   SER  70           HB2      SER  70 -12.619  -2.667  17.392
  525   2HB   SER  70           HB1      SER  70 -11.754  -3.752  18.476
  526    HG   SER  70           HG       SER  70 -13.280  -3.441  19.875
  527    H    SER  71           HN       SER  71  -9.214  -3.148  19.200
  528    HA   SER  71           HA       SER  71  -9.466  -3.397  22.036
  529   1HB   SER  71           HB2      SER  71  -6.952  -4.030  21.833
  530   2HB   SER  71           HB1      SER  71  -8.134  -5.049  21.016
  531    HG   SER  71           HG       SER  71  -6.951  -4.616  19.327
  532    H    GLY  72           HN       GLY  72  -8.276  -0.813  20.067
  533   1HA   GLY  72           HA2      GLY  72  -7.897   1.404  21.037
  534   2HA   GLY  72           HA1      GLY  72  -7.369   0.605  22.519
  535    H    GLN  73           HN       GLN  73  -6.125  -0.949  19.697
  536    HA   GLN  73           HA       GLN  73  -3.450   0.287  20.238
  537   1HB   GLN  73           HB2      GLN  73  -4.126  -2.282  18.768
  538   2HB   GLN  73           HB1      GLN  73  -2.512  -1.725  19.217
  539   1HG   GLN  73           HG2      GLN  73  -2.922  -2.032  21.527
  540   2HG   GLN  73           HG1      GLN  73  -4.668  -2.128  21.290
  541   1HE2  GLN  73          HE22      GLN  73  -2.523  -5.508  21.162
  542   2HE2  GLN  73          HE21      GLN  73  -1.905  -4.035  21.738
  543    H    HIS  74           HN       HIS  74  -2.088   0.809  18.350
  544    HA   HIS  74           HA       HIS  74  -3.695   1.499  15.922
  545   1HB   HIS  74           HB2      HIS  74  -1.381   2.852  17.285
  546   2HB   HIS  74           HB1      HIS  74  -1.741   3.161  15.605
  547    HD1  HIS  74           HD1      HIS  74  -2.640   5.526  15.803
  548    HD2  HIS  74           HD2      HIS  74  -4.555   2.878  18.390
  549    HE1  HIS  74           HE1      HIS  74  -4.582   6.792  16.822
  550    H    GLU  75           HN       GLU  75  -2.532   1.251  13.878
  551    HA   GLU  75           HA       GLU  75  -0.054  -0.350  13.978
  552   1HB   GLU  75           HB2      GLU  75  -2.316  -1.262  12.213
  553   2HB   GLU  75           HB1      GLU  75  -0.850  -2.128  12.663
  554   1HG   GLU  75           HG2      GLU  75  -2.380  -3.153  14.070
  555   2HG   GLU  75           HG1      GLU  75  -1.817  -1.847  15.112
  556    H    GLY  76           HN       GLY  76   0.490  -0.904  11.502
  557   1HA   GLY  76           HA2      GLY  76   1.289  -0.007   9.491
  558   2HA   GLY  76           HA1      GLY  76  -0.178   0.979   9.468
  559    H    ARG  77           HN       ARG  77   0.503   3.009   9.134
  560    HA   ARG  77           HA       ARG  77   1.720   5.010   9.282
  561   1HB   ARG  77           HB2      ARG  77   1.800   5.928  11.522
  562   2HB   ARG  77           HB1      ARG  77   0.298   5.033  11.321
  563   1HG   ARG  77           HG2      ARG  77   1.135   3.178  12.596
  564   2HG   ARG  77           HG1      ARG  77   2.772   3.835  12.592
  565   1HD   ARG  77           HD2      ARG  77   0.583   5.534  13.716
  566   2HD   ARG  77           HD1      ARG  77   1.157   4.175  14.684
  567    HE   ARG  77           HE       ARG  77   3.059   6.231  13.640
  568   1HH1  ARG  77          HH11      ARG  77   4.960   5.272  14.958
  569   2HH1  ARG  77          HH12      ARG  77   4.680   5.317  16.666
  570   1HH2  ARG  77          HH21      ARG  77   1.271   5.877  16.358
  571   2HH2  ARG  77          HH22      ARG  77   2.591   5.660  17.460
  572    H    LEU  78           HN       LEU  78   3.340   2.512   8.957
  573    HA   LEU  78           HA       LEU  78   5.709   2.722  10.597
  574   1HB   LEU  78           HB2      LEU  78   5.077   1.210   8.056
  575   2HB   LEU  78           HB1      LEU  78   6.675   1.163   8.802
  576    HG   LEU  78           HG       LEU  78   4.317   0.685  10.568
  577   1HD1  LEU  78          HD13      LEU  78   5.278  -1.162   8.394
  578   2HD1  LEU  78          HD12      LEU  78   4.651  -1.821   9.905
  579   3HD1  LEU  78          HD11      LEU  78   3.625  -0.803   8.893
  580   1HD2  LEU  78          HD22      LEU  78   7.105  -0.490  10.331
  581   2HD2  LEU  78          HD21      LEU  78   6.592   0.741  11.484
  582   3HD2  LEU  78          HD23      LEU  78   5.943  -0.894  11.594
  583    H    LEU  79           HN       LEU  79   4.636   4.400   7.751
  584    HA   LEU  79           HA       LEU  79   6.993   5.096   6.416
  585   1HB   LEU  79           HB2      LEU  79   5.025   5.932   5.444
  586   2HB   LEU  79           HB1      LEU  79   4.403   6.530   6.974
  587    HG   LEU  79           HG       LEU  79   5.908   8.413   6.934
  588   1HD1  LEU  79          HD11      LEU  79   7.220   6.894   4.701
  589   2HD1  LEU  79          HD13      LEU  79   7.368   8.649   4.771
  590   3HD1  LEU  79          HD12      LEU  79   7.963   7.661   6.102
  591   1HD2  LEU  79          HD23      LEU  79   3.828   8.264   5.337
  592   2HD2  LEU  79          HD22      LEU  79   4.952   9.613   5.168
  593   3HD2  LEU  79          HD21      LEU  79   5.046   8.244   4.061
  594    H    GLN  80           HN       GLN  80   8.861   5.561   7.521
  595    HA   GLN  80           HA       GLN  80   8.853   7.930   9.328
  596   1HB   GLN  80           HB2      GLN  80  10.100   5.234   9.951
  597   2HB   GLN  80           HB1      GLN  80  10.460   6.709  10.844
  598   1HG   GLN  80           HG2      GLN  80   7.578   6.082  10.518
  599   2HG   GLN  80           HG1      GLN  80   8.488   4.980  11.551
  600   1HE2  GLN  80          HE22      GLN  80   7.516   8.618  12.953
  601   2HE2  GLN  80          HE21      GLN  80   6.892   7.995  11.502
  602    H    ASP  81           HN       ASP  81  11.153   8.594   9.780
  603    HA   ASP  81           HA       ASP  81  12.577   8.853   7.255
  604   1HB   ASP  81           HB2      ASP  81  13.385   9.851  10.011
  605   2HB   ASP  81           HB1      ASP  81  14.006  10.399   8.452
  606    H    LEU  82           HN       LEU  82  13.694   7.118   6.653
  607    HA   LEU  82           HA       LEU  82  15.260   5.464   8.541
  608   1HB   LEU  82           HB2      LEU  82  14.548   5.327   5.612
  609   2HB   LEU  82           HB1      LEU  82  15.865   4.348   6.220
  610    HG   LEU  82           HG       LEU  82  13.182   4.334   7.590
  611   1HD1  LEU  82          HD11      LEU  82  13.050   3.791   5.057
  612   2HD1  LEU  82          HD13      LEU  82  13.969   2.340   5.459
  613   3HD1  LEU  82          HD12      LEU  82  12.380   2.606   6.177
  614   1HD2  LEU  82          HD21      LEU  82  15.656   2.632   7.521
  615   2HD2  LEU  82          HD23      LEU  82  14.721   3.183   8.912
  616   3HD2  LEU  82          HD22      LEU  82  14.109   1.874   7.901
  617    HA   PRO  83           HA       PRO  83  19.070   7.554   7.734
  618   1HB   PRO  83           HB2      PRO  83  20.885   5.593   7.044
  619   2HB   PRO  83           HB1      PRO  83  20.348   5.914   8.701
  620   1HG   PRO  83           HG2      PRO  83  19.537   3.706   6.852
  621   2HG   PRO  83           HG1      PRO  83  19.650   3.704   8.620
  622   1HD   PRO  83           HD2      PRO  83  17.273   3.906   7.201
  623   2HD   PRO  83           HD1      PRO  83  17.477   4.440   8.877
  624    H    GLY  84           HN       GLY  84  18.752   8.836   5.957
  625   1HA   GLY  84           HA2      GLY  84  19.460   9.563   3.791
  626   2HA   GLY  84           HA1      GLY  84  19.796   7.889   3.357
  627    H    CYS  85           HN       CYS  85  16.695   8.245   4.839
  628    HA   CYS  85           HA       CYS  85  15.312   8.697   2.243
  629   1HB   CYS  85           HB2      CYS  85  14.415   6.415   3.989
  630   2HB   CYS  85           HB1      CYS  85  14.094   6.697   2.285
  631    HA   PRO  86           HA       PRO  86  13.289  10.801   5.819
  632   1HB   PRO  86           HB2      PRO  86  12.460  13.026   4.404
  633   2HB   PRO  86           HB1      PRO  86  14.022  12.897   5.201
  634   1HG   PRO  86           HG2      PRO  86  13.374  12.707   2.304
  635   2HG   PRO  86           HG1      PRO  86  14.885  13.211   3.078
  636   1HD   PRO  86           HD2      PRO  86  14.418  10.704   1.893
  637   2HD   PRO  86           HD1      PRO  86  15.751  11.080   3.005
  638    H    ARG  87           HN       ARG  87  10.983  11.324   6.187
  639    HA   ARG  87           HA       ARG  87   9.088   9.616   5.088
  640   1HB   ARG  87           HB2      ARG  87   8.661  12.452   6.083
  641   2HB   ARG  87           HB1      ARG  87   7.407  11.230   5.920
  642   1HG   ARG  87           HG2      ARG  87   8.839   9.769   7.427
  643   2HG   ARG  87           HG1      ARG  87   9.786  11.216   7.753
  644   1HD   ARG  87           HD2      ARG  87   7.928  10.701   9.430
  645   2HD   ARG  87           HD1      ARG  87   7.939  12.327   8.759
  646    HE   ARG  87           HE       ARG  87   6.158  10.222   7.618
  647   1HH1  ARG  87          HH21      ARG  87   5.773  12.647   6.224
  648   2HH1  ARG  87          HH22      ARG  87   4.611  13.532   7.153
  649   1HH2  ARG  87          HH11      ARG  87   5.073  11.641  10.023
  650   2HH2  ARG  87          HH12      ARG  87   4.214  12.962   9.303
  651    H    GLN  88           HN       GLN  88  10.307  12.672   3.910
  652    HA   GLN  88           HA       GLN  88   8.311  13.499   2.098
  653   1HB   GLN  88           HB2      GLN  88  10.733  14.444   2.813
  654   2HB   GLN  88           HB1      GLN  88  11.124  13.821   1.211
  655   1HG   GLN  88           HG2      GLN  88   9.670  15.286   0.137
  656   2HG   GLN  88           HG1      GLN  88   8.651  15.480   1.565
  657   1HE2  GLN  88          HE22      GLN  88  11.906  17.884   1.062
  658   2HE2  GLN  88          HE21      GLN  88  11.603  16.605  -0.011
  659    H    VAL  89           HN       VAL  89  11.100  11.346   1.369
  660    HA   VAL  89           HA       VAL  89  10.469  10.959  -1.385
  661    HB   VAL  89           HB       VAL  89  12.008   9.227   0.570
  662   1HG1  VAL  89          HG11      VAL  89  11.594   9.131  -2.395
  663   2HG1  VAL  89          HG13      VAL  89  13.197   8.749  -1.766
  664   3HG1  VAL  89          HG12      VAL  89  11.799   7.802  -1.253
  665   1HG2  VAL  89          HG21      VAL  89  12.765  11.555   0.386
  666   2HG2  VAL  89          HG23      VAL  89  13.936  10.423  -0.285
  667   3HG2  VAL  89          HG22      VAL  89  12.898  11.360  -1.360
  668    H    GLN  90           HN       GLN  90   9.619   9.220   1.546
  669    HA   GLN  90           HA       GLN  90   8.284   7.005   0.280
  670   1HB   GLN  90           HB2      GLN  90   7.277   8.049   2.899
  671   2HB   GLN  90           HB1      GLN  90   7.497   6.385   2.385
  672   1HG   GLN  90           HG2      GLN  90   9.644   8.333   3.272
  673   2HG   GLN  90           HG1      GLN  90   9.155   6.843   4.065
  674   1HE2  GLN  90          HE22      GLN  90  12.247   6.411   1.864
  675   2HE2  GLN  90          HE21      GLN  90  11.837   7.654   2.941
  676    H    ARG  91           HN       ARG  91   7.342  10.291   1.044
  677    HA   ARG  91           HA       ARG  91   4.497   9.849   0.567
  678   1HB   ARG  91           HB2      ARG  91   5.696  11.746   1.966
  679   2HB   ARG  91           HB1      ARG  91   5.723  12.572   0.407
  680   1HG   ARG  91           HG2      ARG  91   3.675  13.219   1.476
  681   2HG   ARG  91           HG1      ARG  91   3.238  12.060   0.222
  682   1HD   ARG  91           HD2      ARG  91   3.650  10.363   2.296
  683   2HD   ARG  91           HD1      ARG  91   3.115  11.789   3.177
  684    HE   ARG  91           HE       ARG  91   1.097  11.741   1.567
  685   1HH1  ARG  91          HH11      ARG  91   2.916   8.912   1.266
  686   2HH1  ARG  91          HH12      ARG  91   1.593   7.839   1.557
  687   1HH2  ARG  91          HH21      ARG  91  -0.623  10.356   2.432
  688   2HH2  ARG  91          HH22      ARG  91  -0.408   8.652   2.204
  689    H    ALA  92           HN       ALA  92   7.294  10.697  -1.366
  690    HA   ALA  92           HA       ALA  92   5.814  11.755  -3.628
  691   1HB   ALA  92           HB2      ALA  92   8.632  10.890  -3.111
  692   2HB   ALA  92           HB1      ALA  92   8.098  11.013  -4.787
  693   3HB   ALA  92           HB3      ALA  92   8.027  12.425  -3.732
  694    H    PHE  93           HN       PHE  93   7.371   8.595  -2.980
  695    HA   PHE  93           HA       PHE  93   6.269   7.362  -5.391
  696   1HB   PHE  93           HB2      PHE  93   8.431   6.624  -4.535
  697   2HB   PHE  93           HB1      PHE  93   7.710   6.196  -2.987
  698    HD1  PHE  93           HD2      PHE  93   6.115   4.285  -2.826
  699    HD2  PHE  93           HD1      PHE  93   8.240   5.174  -6.452
  700    HE1  PHE  93           HE2      PHE  93   5.564   2.033  -3.700
  701    HE2  PHE  93           HE1      PHE  93   7.689   2.920  -7.328
  702    HZ   PHE  93           HZ       PHE  93   6.351   1.348  -5.952
  703    H    ALA  94           HN       ALA  94   5.288   7.636  -2.064
  704    HA   ALA  94           HA       ALA  94   3.701   5.438  -1.591
  705   1HB   ALA  94           HB2      ALA  94   3.568   8.278  -0.712
  706   2HB   ALA  94           HB1      ALA  94   2.193   7.238  -0.336
  707   3HB   ALA  94           HB3      ALA  94   3.805   6.810   0.237
  708    HA   PRO  95           HA       PRO  95  -0.188   7.402  -3.617
  709   1HB   PRO  95           HB2      PRO  95   0.177   9.439  -5.428
  710   2HB   PRO  95           HB1      PRO  95  -0.154   9.674  -3.704
  711   1HG   PRO  95           HG2      PRO  95   2.420   9.977  -5.182
  712   2HG   PRO  95           HG1      PRO  95   1.866  10.792  -3.710
  713   1HD   PRO  95           HD2      PRO  95   3.686   8.662  -3.794
  714   2HD   PRO  95           HD1      PRO  95   2.818   9.206  -2.354
  715    H    LYS  96           HN       LYS  96   2.048   5.656  -4.890
  716    HA   LYS  96           HA       LYS  96   0.690   5.336  -7.508
  717   1HB   LYS  96           HB2      LYS  96   3.499   6.037  -7.035
  718   2HB   LYS  96           HB1      LYS  96   3.333   4.557  -7.980
  719   1HG   LYS  96           HG2      LYS  96   2.399   5.642  -9.771
  720   2HG   LYS  96           HG1      LYS  96   1.550   6.807  -8.754
  721   1HD   LYS  96           HD2      LYS  96   3.411   8.203  -8.564
  722   2HD   LYS  96           HD1      LYS  96   4.548   6.901  -8.918
  723   1HE   LYS  96           HE2      LYS  96   4.408   8.400 -10.845
  724   2HE   LYS  96           HE1      LYS  96   3.700   6.840 -11.261
  725   1HZ   LYS  96           HZ3      LYS  96   2.063   9.082 -10.242
  726   2HZ   LYS  96           HZ2      LYS  96   2.400   8.898 -11.897
  727   3HZ   LYS  96           HZ1      LYS  96   1.546   7.690 -11.062
  728    H    LEU  97           HN       LEU  97   0.256   3.997  -5.034
  729    HA   LEU  97           HA       LEU  97   1.684   1.474  -4.931
  730   1HB   LEU  97           HB2      LEU  97  -0.031   2.885  -3.230
  731   2HB   LEU  97           HB1      LEU  97  -0.932   1.429  -3.642
  732    HG   LEU  97           HG       LEU  97   1.964   1.223  -2.866
  733   1HD1  LEU  97          HD11      LEU  97   0.779   2.565  -1.110
  734   2HD1  LEU  97          HD13      LEU  97  -0.367   1.236  -0.925
  735   3HD1  LEU  97          HD12      LEU  97   1.334   0.996  -0.527
  736   1HD2  LEU  97          HD21      LEU  97   0.501  -0.672  -3.835
  737   2HD2  LEU  97          HD23      LEU  97   1.388  -1.020  -2.352
  738   3HD2  LEU  97          HD22      LEU  97  -0.334  -0.648  -2.283
  739    H    VAL  98           HN       VAL  98  -1.894   1.780  -5.333
  740    HA   VAL  98           HA       VAL  98  -1.937  -0.715  -6.822
  741    HB   VAL  98           HB       VAL  98  -4.327  -0.433  -6.907
  742   1HG1  VAL  98          HG13      VAL  98  -3.220  -0.947  -4.720
  743   2HG1  VAL  98          HG12      VAL  98  -3.364   0.764  -4.314
  744   3HG1  VAL  98          HG11      VAL  98  -4.815  -0.208  -4.570
  745   1HG2  VAL  98          HG23      VAL  98  -3.777   2.444  -6.102
  746   2HG2  VAL  98          HG22      VAL  98  -4.524   1.892  -7.602
  747   3HG2  VAL  98          HG21      VAL  98  -5.377   1.703  -6.071
  748    H    THR  99           HN       THR  99  -0.769   2.058  -7.940
  749    HA   THR  99           HA       THR  99  -2.211   2.210 -10.479
  750    HB   THR  99           HB       THR  99  -0.874   4.135 -10.973
  751    HG1  THR  99           HG1      THR  99   1.158   4.063 -10.531
  752   1HG2  THR  99          HG22      THR  99  -2.424   4.466  -9.071
  753   2HG2  THR  99          HG21      THR  99  -1.107   4.078  -7.964
  754   3HG2  THR  99          HG23      THR  99  -1.007   5.514  -8.983
  755    H    GLU 100           HN       GLU 100  -0.566   2.288 -12.531
  756    HA   GLU 100           HA       GLU 100   0.502  -0.361 -12.768
  757   1HB   GLU 100           HB2      GLU 100   0.404   2.091 -14.427
  758   2HB   GLU 100           HB1      GLU 100   1.719   0.976 -14.802
  759   1HG   GLU 100           HG2      GLU 100  -0.420  -0.741 -14.499
  760   2HG   GLU 100           HG1      GLU 100  -1.180   0.671 -15.233
  761    H    VAL 101           HN       VAL 101   1.900   1.989 -10.802
  762    HA   VAL 101           HA       VAL 101   4.655   1.441 -11.680
  763    HB   VAL 101           HB       VAL 101   3.602   3.270  -9.496
  764   1HG1  VAL 101          HG13      VAL 101   6.335   2.580 -10.509
  765   2HG1  VAL 101          HG12      VAL 101   6.015   4.249 -10.034
  766   3HG1  VAL 101          HG11      VAL 101   5.810   2.943  -8.865
  767   1HG2  VAL 101          HG21      VAL 101   4.323   3.653 -12.399
  768   2HG2  VAL 101          HG23      VAL 101   2.886   4.206 -11.537
  769   3HG2  VAL 101          HG22      VAL 101   4.440   4.991 -11.256
  770    H    GLU 102           HN       GLU 102   2.397  -0.068  -9.576
  771    HA   GLU 102           HA       GLU 102   4.714  -1.378  -8.233
  772   1HB   GLU 102           HB2      GLU 102   3.880   0.441  -6.723
  773   2HB   GLU 102           HB1      GLU 102   2.375  -0.446  -6.586
  774   1HG   GLU 102           HG2      GLU 102   3.596  -1.218  -4.738
  775   2HG   GLU 102           HG1      GLU 102   3.859  -2.473  -5.950
  776    H    CYS 103           HN       CYS 103   1.247  -1.826  -7.312
  777    HA   CYS 103           HA       CYS 103   1.399  -4.530  -8.608
  778   1HB   CYS 103           HB2      CYS 103   0.884  -3.853  -5.719
  779   2HB   CYS 103           HB1      CYS 103   0.201  -5.316  -6.425
  780    H    ASN 104           HN       ASN 104  -0.069  -2.225  -9.594
  781    HA   ASN 104           HA       ASN 104  -2.692  -1.850  -8.847
  782   1HB   ASN 104           HB2      ASN 104  -1.748  -0.600 -10.656
  783   2HB   ASN 104           HB1      ASN 104  -1.513  -2.043 -11.626
  784   1HD2  ASN 104          HD22      ASN 104  -4.670  -1.664 -13.115
  785   2HD2  ASN 104          HD21      ASN 104  -3.053  -2.165 -13.253
  786    H    LEU 105           HN       LEU 105  -2.660  -3.700 -11.832
  787    HA   LEU 105           HA       LEU 105  -3.546  -5.807 -12.387
  788   1HB   LEU 105           HB2      LEU 105  -4.568  -6.112  -9.557
  789   2HB   LEU 105           HB1      LEU 105  -4.400  -7.367 -10.780
  790    HG   LEU 105           HG       LEU 105  -1.895  -5.917 -10.175
  791   1HD1  LEU 105          HD13      LEU 105  -3.218  -6.222  -7.934
  792   2HD1  LEU 105          HD12      LEU 105  -2.819  -7.928  -8.135
  793   3HD1  LEU 105          HD11      LEU 105  -1.531  -6.730  -8.007
  794   1HD2  LEU 105          HD23      LEU 105  -2.850  -8.692 -10.753
  795   2HD2  LEU 105          HD22      LEU 105  -1.536  -7.782 -11.496
  796   3HD2  LEU 105          HD21      LEU 105  -1.315  -8.509  -9.904
  797    H    ALA 106           HN       ALA 106  -5.489  -4.166  -9.976
  798    HA   ALA 106           HA       ALA 106  -7.322  -2.747 -11.421
  799   1HB   ALA 106           HB3      ALA 106  -7.789  -5.606 -11.855
  800   2HB   ALA 106           HB2      ALA 106  -9.184  -4.860 -11.080
  801   3HB   ALA 106           HB1      ALA 106  -8.586  -4.227 -12.613
  802    H    THR 107           HN       THR 107  -8.356  -1.616  -9.858
  803    HA   THR 107           HA       THR 107  -8.334  -2.662  -7.094
  804    HB   THR 107           HB       THR 107  -8.501  -0.403  -6.391
  805    HG1  THR 107           HG1      THR 107  -9.970  -0.113  -8.762
  806   1HG2  THR 107          HG22      THR 107  -6.621  -0.868  -8.316
  807   2HG2  THR 107          HG21      THR 107  -7.500   0.481  -9.037
  808   3HG2  THR 107          HG23      THR 107  -6.769   0.657  -7.442
  809    H    ILE 108           HN       ILE 108 -10.707  -0.876  -6.457
  810    HA   ILE 108           HA       ILE 108 -12.844  -2.710  -6.461
  811    HB   ILE 108           HB       ILE 108 -12.680  -0.751  -4.981
  812   1HG1  ILE 108          HG12      ILE 108 -15.002   0.117  -5.217
  813   2HG1  ILE 108          HG11      ILE 108 -15.101  -0.626  -6.812
  814   1HG2  ILE 108          HG21      ILE 108 -11.738   0.675  -6.979
  815   2HG2  ILE 108          HG23      ILE 108 -13.432   1.044  -7.286
  816   3HG2  ILE 108          HG22      ILE 108 -12.699   1.474  -5.742
  817   1HD1  ILE 108          HD13      ILE 108 -14.254  -2.386  -4.566
  818   2HD1  ILE 108          HD12      ILE 108 -15.945  -1.884  -4.589
  819   3HD1  ILE 108          HD11      ILE 108 -15.264  -2.754  -5.964
  820    H    HIS 109           HN       HIS 109 -12.054  -0.131  -8.763
  821    HA   HIS 109           HA       HIS 109 -14.448  -0.681 -10.409
  822   1HB   HIS 109           HB2      HIS 109 -13.344   1.196 -11.859
  823   2HB   HIS 109           HB1      HIS 109 -14.216   1.587 -10.381
  824    HD1  HIS 109           HD1      HIS 109 -10.670   0.781 -11.451
  825    HD2  HIS 109           HD2      HIS 109 -12.655   3.060  -8.577
  826    HE1  HIS 109           HE1      HIS 109  -8.931   1.917 -10.050
  827    H    GLY 110           HN       GLY 110 -12.066  -2.604 -10.196
  828   1HA   GLY 110           HA2      GLY 110 -10.904  -4.047 -11.612
  829   2HA   GLY 110           HA1      GLY 110 -12.212  -3.733 -12.740
  830    H    GLY 111           HN       GLY 111  -9.239  -2.027 -11.567
  831   1HA   GLY 111           HA2      GLY 111  -7.777  -1.945 -13.872
  832   2HA   GLY 111           HA1      GLY 111  -8.954  -0.675 -14.151
  833    HA   PRO 112           HA       PRO 112  -5.383   0.944 -11.561
  834   1HB   PRO 112           HB2      PRO 112  -3.958   2.200 -13.560
  835   2HB   PRO 112           HB1      PRO 112  -3.659   0.532 -13.052
  836   1HG   PRO 112           HG2      PRO 112  -4.904   1.542 -15.539
  837   2HG   PRO 112           HG1      PRO 112  -4.199  -0.049 -15.213
  838   1HD   PRO 112           HD2      PRO 112  -6.992   0.650 -15.260
  839   2HD   PRO 112           HD1      PRO 112  -6.280  -0.930 -14.869
  840    H    PHE 113           HN       PHE 113  -7.334   2.332 -10.931
  841    HA   PHE 113           HA       PHE 113  -6.834   5.133 -11.317
  842   1HB   PHE 113           HB2      PHE 113  -8.598   5.854 -12.859
  843   2HB   PHE 113           HB1      PHE 113  -7.484   4.775 -13.667
  844    HD1  PHE 113           HD2      PHE 113  -8.252   2.130 -13.546
  845    HD2  PHE 113           HD1      PHE 113 -10.887   5.505 -13.141
  846    HE1  PHE 113           HE2      PHE 113 -10.156   0.743 -14.240
  847    HE2  PHE 113           HE1      PHE 113 -12.780   4.089 -13.851
  848    HZ   PHE 113           HZ       PHE 113 -12.403   1.699 -14.400
  849    H    CYS 114           HN       CYS 114  -7.470   5.179  -8.972
  850    HA   CYS 114           HA       CYS 114 -10.437   4.990  -8.623
  851   1HB   CYS 114           HB2      CYS 114 -10.159   4.395  -6.329
  852   2HB   CYS 114           HB1      CYS 114  -9.084   3.352  -7.251
  853    H    LEU 115           HN       LEU 115 -10.995   6.335  -6.486
  854    HA   LEU 115           HA       LEU 115 -11.277   8.484  -5.572
  855   1HB   LEU 115           HB2      LEU 115  -8.442   8.336  -6.221
  856   2HB   LEU 115           HB1      LEU 115  -9.047   9.971  -6.477
  857    HG   LEU 115           HG       LEU 115  -8.253   9.694  -4.164
  858   1HD1  LEU 115          HD13      LEU 115 -10.432  11.000  -4.845
  859   2HD1  LEU 115          HD12      LEU 115 -11.248   9.726  -3.939
  860   3HD1  LEU 115          HD11      LEU 115 -10.060  10.756  -3.139
  861   1HD2  LEU 115          HD21      LEU 115  -8.763   7.204  -4.113
  862   2HD2  LEU 115          HD23      LEU 115  -9.224   8.088  -2.659
  863   3HD2  LEU 115          HD22      LEU 115 -10.452   7.635  -3.841
  864    H    SER 116           HN       SER 116 -12.201   7.695  -8.189
  865    HA   SER 116           HA       SER 116 -13.007  10.277  -9.232
  866   1HB   SER 116           HB2      SER 116 -12.013  10.036 -11.460
  867   2HB   SER 116           HB1      SER 116 -10.733  10.006 -10.250
  868    HG   SER 116           HG       SER 116 -10.715   8.314 -11.937
  869    H    LEU 117           HN       LEU 117 -13.385   8.591 -11.934
  870    HA   LEU 117           HA       LEU 117 -15.007   7.235 -12.852
  871   1HB   LEU 117           HB2      LEU 117 -14.962   6.063 -10.056
  872   2HB   LEU 117           HB1      LEU 117 -16.017   5.446 -11.320
  873    HG   LEU 117           HG       LEU 117 -13.598   5.601 -12.629
  874   1HD1  LEU 117          HD11      LEU 117 -13.138   4.992  -9.709
  875   2HD1  LEU 117          HD13      LEU 117 -12.113   4.284 -10.955
  876   3HD1  LEU 117          HD12      LEU 117 -12.199   6.035 -10.777
  877   1HD2  LEU 117          HD21      LEU 117 -14.905   3.340 -11.101
  878   2HD2  LEU 117          HD23      LEU 117 -15.052   3.707 -12.820
  879   3HD2  LEU 117          HD22      LEU 117 -13.531   3.105 -12.174
  880    H    LEU 118           HN       LEU 118 -17.219   6.638 -10.332
  881    HA   LEU 118           HA       LEU 118 -19.204   7.577  -9.631
  882   1HB   LEU 118           HB2      LEU 118 -17.677  10.054 -10.297
  883   2HB   LEU 118           HB1      LEU 118 -19.405  10.162 -10.002
  884    HG   LEU 118           HG       LEU 118 -18.924   8.773  -7.871
  885   1HD1  LEU 118          HD13      LEU 118 -16.192   9.427  -8.881
  886   2HD1  LEU 118          HD12      LEU 118 -16.464   9.475  -7.140
  887   3HD1  LEU 118          HD11      LEU 118 -16.755   7.984  -8.037
  888   1HD2  LEU 118          HD23      LEU 118 -18.243  11.635  -8.403
  889   2HD2  LEU 118          HD22      LEU 118 -19.507  10.958  -7.377
  890   3HD2  LEU 118          HD21      LEU 118 -17.834  10.972  -6.822
  891    H    GLY 119           HN       GLY 119 -18.358   7.924 -12.968
  892   1HA   GLY 119           HA2      GLY 119 -21.112   7.610 -13.774
  893   2HA   GLY 119           HA1      GLY 119 -20.469   9.203 -14.176
  894    H    ALA 120           HN       ALA 120 -19.374   9.383 -16.075
  895    HA   ALA 120           HA       ALA 120 -18.172   6.956 -17.288
  896   1HB   ALA 120           HB1      ALA 120 -20.424   7.566 -18.285
  897   2HB   ALA 120           HB3      ALA 120 -19.721   9.107 -18.778
  898   3HB   ALA 120           HB2      ALA 120 -19.095   7.598 -19.443
  899    H    GLY 121           HN       GLY 121 -17.527   9.028 -19.557
  900   1HA   GLY 121           HA2      GLY 121 -15.641  10.283 -20.135
  901   2HA   GLY 121           HA1      GLY 121 -15.930  11.129 -18.617
  902    H    GLU 122           HN       GLU 122 -15.326   7.692 -18.509
  903    HA   GLU 122           HA       GLU 122 -13.546   6.443 -17.646
  904   1HB   GLU 122           HB2      GLU 122 -12.313   7.445 -19.571
  905   2HB   GLU 122           HB1      GLU 122 -11.853   8.799 -18.539
  906   1HG   GLU 122           HG2      GLU 122 -11.297   6.064 -17.499
  907   2HG   GLU 122           HG1      GLU 122 -10.290   6.632 -18.831
   
  No H/Q in entry =         907
  Start of MODEL          19
 Raw file had  930 H/Q atoms
  Start of MODEL   19
    1   1H    SER   1           HT2      SER   1 -21.456   0.220   0.987
    2   2H    SER   1           HT1      SER   1 -20.644  -0.433  -0.354
    3   3H    SER   1           HT3      SER   1 -22.067   0.460  -0.579
    4    HA   SER   1           HA       SER   1 -23.431  -1.214   0.133
    5   1HB   SER   1           HB2      SER   1 -21.222  -3.048  -0.687
    6   2HB   SER   1           HB1      SER   1 -22.900  -3.008  -1.218
    7    HG   SER   1           HG       SER   1 -20.849  -2.042  -2.479
    8    H    VAL   2           HN       VAL   2 -23.979  -2.168   2.017
    9    HA   VAL   2           HA       VAL   2 -23.766  -3.558   3.921
   10    HB   VAL   2           HB       VAL   2 -20.776  -3.622   3.522
   11   1HG1  VAL   2          HG13      VAL   2 -22.808  -5.554   4.681
   12   2HG1  VAL   2          HG12      VAL   2 -21.074  -5.858   4.568
   13   3HG1  VAL   2          HG11      VAL   2 -21.678  -4.562   5.601
   14   1HG2  VAL   2          HG23      VAL   2 -22.705  -4.463   1.615
   15   2HG2  VAL   2          HG22      VAL   2 -20.975  -4.809   1.617
   16   3HG2  VAL   2          HG21      VAL   2 -22.099  -5.922   2.397
   17    H    GLY   3           HN       GLY   3 -20.841  -1.481   3.667
   18   1HA   GLY   3           HA2      GLY   3 -20.968   0.683   4.973
   19   2HA   GLY   3           HA1      GLY   3 -21.682  -0.273   6.273
   20    H    THR   4           HN       THR   4 -20.301  -1.929   7.285
   21    HA   THR   4           HA       THR   4 -17.509  -0.986   7.462
   22    HB   THR   4           HB       THR   4 -18.817  -1.498   9.527
   23    HG1  THR   4           HG1      THR   4 -16.825  -1.801  10.115
   24   1HG2  THR   4          HG22      THR   4 -19.791  -3.615   8.148
   25   2HG2  THR   4          HG21      THR   4 -18.521  -4.416   9.073
   26   3HG2  THR   4          HG23      THR   4 -19.797  -3.529   9.909
   27    H    SER   5           HN       SER   5 -18.230  -2.260   4.995
   28    HA   SER   5           HA       SER   5 -17.739  -4.978   4.727
   29   1HB   SER   5           HB2      SER   5 -16.540  -2.838   2.945
   30   2HB   SER   5           HB1      SER   5 -16.881  -4.508   2.499
   31    HG   SER   5           HG       SER   5 -19.003  -4.090   2.509
   32    H    CYS   6           HN       CYS   6 -15.650  -6.082   4.054
   33    HA   CYS   6           HA       CYS   6 -13.447  -6.702   4.564
   34   1HB   CYS   6           HB2      CYS   6 -13.095  -3.699   4.809
   35   2HB   CYS   6           HB1      CYS   6 -11.791  -4.877   4.665
   36    H    ILE   7           HN       ILE   7 -13.307  -7.737   6.503
   37    HA   ILE   7           HA       ILE   7 -13.640  -6.152   9.001
   38    HB   ILE   7           HB       ILE   7 -13.134  -9.001   9.385
   39   1HG1  ILE   7          HG12      ILE   7 -15.586  -9.458   8.447
   40   2HG1  ILE   7          HG11      ILE   7 -15.154  -8.160   7.335
   41   1HG2  ILE   7          HG21      ILE   7 -14.754  -6.862  10.415
   42   2HG2  ILE   7          HG23      ILE   7 -15.788  -8.249  10.071
   43   3HG2  ILE   7          HG22      ILE   7 -14.404  -8.427  11.149
   44   1HD1  ILE   7          HD13      ILE   7 -12.915  -9.547   7.086
   45   2HD1  ILE   7          HD12      ILE   7 -13.930 -10.878   7.645
   46   3HD1  ILE   7          HD11      ILE   7 -14.352 -10.006   6.171
   47    HA   PRO   8           HA       PRO   8  -9.321  -6.232   9.729
   48   1HB   PRO   8           HB2      PRO   8  -9.281  -6.214  12.482
   49   2HB   PRO   8           HB1      PRO   8  -9.693  -4.801  11.493
   50   1HG   PRO   8           HG2      PRO   8 -11.493  -6.566  13.081
   51   2HG   PRO   8           HG1      PRO   8 -11.713  -4.873  12.609
   52   1HD   PRO   8           HD2      PRO   8 -12.933  -7.117  11.387
   53   2HD   PRO   8           HD1      PRO   8 -12.902  -5.463  10.740
   54    H    GLY   9           HN       GLY   9  -7.543  -7.630  10.500
   55   1HA   GLY   9           HA2      GLY   9  -6.555  -9.687  11.012
   56   2HA   GLY   9           HA1      GLY   9  -7.949 -10.004  12.041
   57    H    MET  10           HN       MET  10  -8.893  -9.264   8.882
   58    HA   MET  10           HA       MET  10  -8.902 -12.130   8.059
   59   1HB   MET  10           HB2      MET  10 -11.281 -10.250   8.022
   60   2HB   MET  10           HB1      MET  10 -11.259 -11.869   7.322
   61   1HG   MET  10           HG2      MET  10 -10.276 -11.971  10.032
   62   2HG   MET  10           HG1      MET  10 -11.847 -11.171   9.999
   63   1HE   MET  10           HE1      MET  10 -10.049 -13.792  10.591
   64   2HE   MET  10           HE3      MET  10 -11.418 -14.755  11.159
   65   3HE   MET  10           HE2      MET  10 -10.514 -15.259   9.733
   66    H    ALA  11           HN       ALA  11  -7.524 -11.865   6.160
   67    HA   ALA  11           HA       ALA  11  -7.220 -11.308   3.878
   68   1HB   ALA  11           HB3      ALA  11  -9.760 -10.659   3.968
   69   2HB   ALA  11           HB2      ALA  11  -9.152  -9.011   4.132
   70   3HB   ALA  11           HB1      ALA  11  -8.746  -9.964   2.704
   71    H    ILE  12           HN       ILE  12  -7.959  -8.395   5.812
   72    HA   ILE  12           HA       ILE  12  -5.331  -7.272   5.006
   73    HB   ILE  12           HB       ILE  12  -7.803  -6.016   6.227
   74   1HG1  ILE  12          HG12      ILE  12  -6.611  -4.918   3.767
   75   2HG1  ILE  12          HG11      ILE  12  -7.180  -6.579   3.595
   76   1HG2  ILE  12          HG23      ILE  12  -5.093  -4.795   5.618
   77   2HG2  ILE  12          HG22      ILE  12  -6.539  -3.871   6.026
   78   3HG2  ILE  12          HG21      ILE  12  -5.831  -4.968   7.211
   79   1HD1  ILE  12          HD11      ILE  12  -9.115  -5.064   5.095
   80   2HD1  ILE  12          HD13      ILE  12  -8.743  -4.214   3.595
   81   3HD1  ILE  12          HD12      ILE  12  -9.317  -5.880   3.546
   82    HA   PRO  13           HA       PRO  13  -4.571  -8.678   9.261
   83   1HB   PRO  13           HB2      PRO  13  -1.869  -9.073   8.964
   84   2HB   PRO  13           HB1      PRO  13  -3.101 -10.260   8.510
   85   1HG   PRO  13           HG2      PRO  13  -1.400  -8.585   6.759
   86   2HG   PRO  13           HG1      PRO  13  -2.285 -10.068   6.369
   87   1HD   PRO  13           HD2      PRO  13  -3.036  -7.364   5.768
   88   2HD   PRO  13           HD1      PRO  13  -3.968  -8.843   5.418
   89    H    HIS  14           HN       HIS  14  -2.918  -7.966  10.961
   90    HA   HIS  14           HA       HIS  14  -2.901  -5.087  11.099
   91   1HB   HIS  14           HB2      HIS  14  -1.589  -7.174  12.882
   92   2HB   HIS  14           HB1      HIS  14  -1.943  -5.512  13.314
   93    HD1  HIS  14           HD1      HIS  14  -4.285  -4.963  14.110
   94    HD2  HIS  14           HD2      HIS  14  -4.005  -8.774  12.448
   95    HE1  HIS  14           HE1      HIS  14  -6.512  -6.097  14.530
   96    H    ASN  15           HN       ASN  15  -0.967  -3.715  11.111
   97    HA   ASN  15           HA       ASN  15   1.128  -3.064  10.307
   98   1HB   ASN  15           HB2      ASN  15   1.537  -5.082  12.121
   99   2HB   ASN  15           HB1      ASN  15   2.370  -5.706  10.696
  100   1HD2  ASN  15          HD22      ASN  15   5.139  -3.718  11.601
  101   2HD2  ASN  15          HD21      ASN  15   4.548  -5.274  11.273
  102    HA   PRO  16           HA       PRO  16   0.458  -5.708   6.462
  103   1HB   PRO  16           HB2      PRO  16  -1.195  -4.005   5.090
  104   2HB   PRO  16           HB1      PRO  16  -1.792  -5.289   6.157
  105   1HG   PRO  16           HG2      PRO  16  -1.680  -2.340   6.641
  106   2HG   PRO  16           HG1      PRO  16  -2.815  -3.541   7.280
  107   1HD   PRO  16           HD2      PRO  16  -0.639  -2.448   8.698
  108   2HD   PRO  16           HD1      PRO  16  -1.539  -3.918   9.127
  109    H    LEU  17           HN       LEU  17   0.640  -4.652   4.078
  110    HA   LEU  17           HA       LEU  17   2.164  -3.620   2.621
  111   1HB   LEU  17           HB2      LEU  17   1.175  -1.434   4.436
  112   2HB   LEU  17           HB1      LEU  17   2.348  -1.079   3.167
  113    HG   LEU  17           HG       LEU  17  -0.007  -0.751   2.408
  114   1HD1  LEU  17          HD12      LEU  17   1.933  -1.538   0.914
  115   2HD1  LEU  17          HD11      LEU  17   1.202  -3.140   1.009
  116   3HD1  LEU  17          HD13      LEU  17   0.301  -1.798   0.300
  117   1HD2  LEU  17          HD22      LEU  17  -0.908  -2.628   3.852
  118   2HD2  LEU  17          HD21      LEU  17  -1.487  -2.646   2.186
  119   3HD2  LEU  17          HD23      LEU  17  -0.219  -3.762   2.690
  120    H    ASP  18           HN       ASP  18   3.536  -5.025   4.685
  121    HA   ASP  18           HA       ASP  18   5.612  -3.228   5.724
  122   1HB   ASP  18           HB2      ASP  18   6.525  -5.139   6.815
  123   2HB   ASP  18           HB1      ASP  18   4.776  -5.357   6.890
  124    H    SER  19           HN       SER  19   5.422  -5.828   3.323
  125    HA   SER  19           HA       SER  19   8.118  -5.663   2.406
  126   1HB   SER  19           HB2      SER  19   5.902  -7.205   1.779
  127   2HB   SER  19           HB1      SER  19   6.144  -6.256   0.315
  128    HG   SER  19           HG       SER  19   7.923  -7.320  -0.057
  129    H    CYS  20           HN       CYS  20   5.300  -3.704   1.836
  130    HA   CYS  20           HA       CYS  20   6.335  -2.356  -0.517
  131   1HB   CYS  20           HB2      CYS  20   4.158  -1.550   1.427
  132   2HB   CYS  20           HB1      CYS  20   4.472  -0.778  -0.126
  133    H    ARG  21           HN       ARG  21   6.421  -1.804   2.969
  134    HA   ARG  21           HA       ARG  21   7.501   0.852   2.825
  135   1HB   ARG  21           HB2      ARG  21   6.963   0.678   5.002
  136   2HB   ARG  21           HB1      ARG  21   6.839  -1.071   4.888
  137   1HG   ARG  21           HG2      ARG  21   8.524  -0.592   6.532
  138   2HG   ARG  21           HG1      ARG  21   9.375  -1.151   5.094
  139   1HD   ARG  21           HD2      ARG  21  10.018   1.062   4.489
  140   2HD   ARG  21           HD1      ARG  21   8.874   1.781   5.622
  141    HE   ARG  21           HE       ARG  21  11.525   0.738   6.288
  142   1HH1  ARG  21          HH21      ARG  21   9.933  -0.684   8.250
  143   2HH1  ARG  21          HH22      ARG  21   9.695   0.476   9.515
  144   1HH2  ARG  21          HH11      ARG  21  10.536   3.196   7.538
  145   2HH2  ARG  21          HH12      ARG  21  10.036   2.673   9.111
  146    H    TRP  22           HN       TRP  22   9.078  -2.349   3.287
  147    HA   TRP  22           HA       TRP  22  11.727  -1.198   3.169
  148   1HB   TRP  22           HB2      TRP  22  10.764  -4.040   2.977
  149   2HB   TRP  22           HB1      TRP  22  12.440  -3.615   2.677
  150    HD1  TRP  22           HD1      TRP  22  10.428  -4.713   5.390
  151    HE1  TRP  22           HE1      TRP  22  11.410  -4.003   7.678
  152    HE3  TRP  22           HE3      TRP  22  13.678  -1.293   3.778
  153    HZ2  TRP  22           HZ2      TRP  22  13.397  -2.138   8.660
  154    HZ3  TRP  22           HZ3      TRP  22  15.142  -0.013   5.352
  155    HH2  TRP  22           HH2      TRP  22  15.000  -0.446   7.796
  156    H    TYR  23           HN       TYR  23   9.443  -2.350   0.792
  157    HA   TYR  23           HA       TYR  23  11.322  -2.672  -1.360
  158   1HB   TYR  23           HB2      TYR  23   9.025  -3.611  -1.421
  159   2HB   TYR  23           HB1      TYR  23   8.374  -1.977  -1.559
  160    HD1  TYR  23           HD1      TYR  23  11.314  -3.723  -3.104
  161    HD2  TYR  23           HD2      TYR  23   7.646  -1.580  -3.746
  162    HE1  TYR  23           HE1      TYR  23  11.703  -3.791  -5.552
  163    HE2  TYR  23           HE2      TYR  23   8.038  -1.647  -6.195
  164    HH   TYR  23           HH       TYR  23   9.377  -2.325  -7.826
  165    H    VAL  24           HN       VAL  24   9.548   0.140  -0.084
  166    HA   VAL  24           HA       VAL  24  10.393   1.841  -2.300
  167    HB   VAL  24           HB       VAL  24   9.400   2.566   0.465
  168   1HG1  VAL  24          HG13      VAL  24   9.937   4.306  -1.962
  169   2HG1  VAL  24          HG12      VAL  24   9.194   4.854  -0.459
  170   3HG1  VAL  24          HG11      VAL  24  10.871   4.309  -0.467
  171   1HG2  VAL  24          HG21      VAL  24   8.139   2.078  -2.194
  172   2HG2  VAL  24          HG23      VAL  24   7.489   1.796  -0.579
  173   3HG2  VAL  24          HG22      VAL  24   7.508   3.428  -1.250
  174    H    SER  25           HN       SER  25  11.532   1.138   0.991
  175    HA   SER  25           HA       SER  25  13.579   3.067   1.133
  176   1HB   SER  25           HB2      SER  25  14.734   1.470   2.654
  177   2HB   SER  25           HB1      SER  25  13.026   1.669   3.044
  178    HG   SER  25           HG       SER  25  14.177  -0.406   1.477
  179    H    THR  26           HN       THR  26  13.528  -0.108  -0.459
  180    HA   THR  26           HA       THR  26  16.340  -0.008  -1.214
  181    HB   THR  26           HB       THR  26  14.033  -1.823  -1.913
  182    HG1  THR  26           HG1      THR  26  15.406  -3.290  -0.828
  183   1HG2  THR  26          HG23      THR  26  16.836  -1.837  -3.064
  184   2HG2  THR  26          HG22      THR  26  15.744  -3.220  -3.131
  185   3HG2  THR  26          HG21      THR  26  15.319  -1.720  -3.955
  186    H    ARG  27           HN       ARG  27  13.330   0.184  -3.176
  187    HA   ARG  27           HA       ARG  27  14.609   0.769  -5.632
  188   1HB   ARG  27           HB2      ARG  27  11.869   1.271  -4.533
  189   2HB   ARG  27           HB1      ARG  27  12.325   2.042  -6.050
  190   1HG   ARG  27           HG2      ARG  27  12.372  -0.929  -5.445
  191   2HG   ARG  27           HG1      ARG  27  11.273  -0.095  -6.542
  192   1HD   ARG  27           HD2      ARG  27  14.200  -0.677  -6.887
  193   2HD   ARG  27           HD1      ARG  27  12.876  -0.928  -8.021
  194    HE   ARG  27           HE       ARG  27  12.939   1.797  -7.768
  195   1HH1  ARG  27          HH11      ARG  27  15.871   1.232  -7.031
  196   2HH1  ARG  27          HH12      ARG  27  16.631   1.430  -8.575
  197   1HH2  ARG  27          HH21      ARG  27  13.660   1.250 -10.354
  198   2HH2  ARG  27          HH22      ARG  27  15.379   1.441 -10.458
  199    H    THR  28           HN       THR  28  13.985   2.824  -2.889
  200    HA   THR  28           HA       THR  28  14.545   5.256  -4.472
  201    HB   THR  28           HB       THR  28  13.924   6.449  -2.389
  202    HG1  THR  28           HG1      THR  28  12.995   4.910  -0.766
  203   1HG2  THR  28          HG22      THR  28  12.240   5.504  -4.087
  204   2HG2  THR  28          HG21      THR  28  11.922   4.255  -2.884
  205   3HG2  THR  28          HG23      THR  28  11.617   5.948  -2.498
  206    H    CYS  29           HN       CYS  29  15.765   4.078  -1.300
  207    HA   CYS  29           HA       CYS  29  18.308   5.501  -1.853
  208   1HB   CYS  29           HB2      CYS  29  17.666   4.086   0.720
  209   2HB   CYS  29           HB1      CYS  29  18.676   5.507   0.459
  210    H    GLY  30           HN       GLY  30  17.305   2.699  -2.822
  211   1HA   GLY  30           HA2      GLY  30  18.269   0.568  -3.157
  212   2HA   GLY  30           HA1      GLY  30  19.808   1.429  -3.058
  213    H    VAL  31           HN       VAL  31  17.678   1.617  -0.333
  214    HA   VAL  31           HA       VAL  31  19.588  -0.068   1.218
  215    HB   VAL  31           HB       VAL  31  17.619   2.090   2.012
  216   1HG1  VAL  31          HG11      VAL  31  19.212   0.213   3.783
  217   2HG1  VAL  31          HG13      VAL  31  18.398   1.670   4.352
  218   3HG1  VAL  31          HG12      VAL  31  17.455   0.333   3.693
  219   1HG2  VAL  31          HG22      VAL  31  20.621   1.749   2.063
  220   2HG2  VAL  31          HG21      VAL  31  19.679   3.022   1.287
  221   3HG2  VAL  31          HG23      VAL  31  19.811   2.970   3.045
  222    H    GLY  32           HN       GLY  32  18.536  -1.421   2.994
  223   1HA   GLY  32           HA2      GLY  32  16.209  -2.324   3.647
  224   2HA   GLY  32           HA1      GLY  32  16.047  -2.613   1.910
  225    HA   PRO  33           HA       PRO  33  18.287  -6.225   4.033
  226   1HB   PRO  33           HB2      PRO  33  16.459  -8.209   3.399
  227   2HB   PRO  33           HB1      PRO  33  16.497  -7.344   4.945
  228   1HG   PRO  33           HG2      PRO  33  14.667  -6.947   2.602
  229   2HG   PRO  33           HG1      PRO  33  14.329  -6.779   4.334
  230   1HD   PRO  33           HD2      PRO  33  14.735  -4.639   2.666
  231   2HD   PRO  33           HD1      PRO  33  15.078  -4.605   4.411
  232    H    ARG  34           HN       ARG  34  18.976  -8.310   2.705
  233    HA   ARG  34           HA       ARG  34  19.460  -7.361  -0.047
  234   1HB   ARG  34           HB2      ARG  34  21.276  -8.287   1.499
  235   2HB   ARG  34           HB1      ARG  34  20.557  -9.874   1.221
  236   1HG   ARG  34           HG2      ARG  34  22.065  -9.871  -0.519
  237   2HG   ARG  34           HG1      ARG  34  20.722  -9.061  -1.328
  238   1HD   ARG  34           HD2      ARG  34  21.930  -6.942  -0.114
  239   2HD   ARG  34           HD1      ARG  34  23.325  -7.970  -0.441
  240    HE   ARG  34           HE       ARG  34  21.547  -7.663  -2.740
  241   1HH1  ARG  34          HH21      ARG  34  24.137  -6.320  -0.892
  242   2HH1  ARG  34          HH22      ARG  34  24.837  -5.487  -2.240
  243   1HH2  ARG  34          HH11      ARG  34  22.476  -6.615  -4.512
  244   2HH2  ARG  34          HH12      ARG  34  23.899  -5.653  -4.285
  245    H    LEU  35           HN       LEU  35  17.296  -7.745  -0.813
  246    HA   LEU  35           HA       LEU  35  16.891 -10.580  -1.626
  247   1HB   LEU  35           HB2      LEU  35  15.357  -9.566   0.345
  248   2HB   LEU  35           HB1      LEU  35  14.458  -8.957  -1.047
  249    HG   LEU  35           HG       LEU  35  14.295 -11.220  -1.966
  250   1HD1  LEU  35          HD12      LEU  35  16.086 -11.836   0.373
  251   2HD1  LEU  35          HD11      LEU  35  15.027 -13.087  -0.283
  252   3HD1  LEU  35          HD13      LEU  35  16.249 -12.338  -1.311
  253   1HD2  LEU  35          HD21      LEU  35  12.633 -10.382  -0.251
  254   2HD2  LEU  35          HD23      LEU  35  12.759 -12.139  -0.344
  255   3HD2  LEU  35          HD22      LEU  35  13.547 -11.266   0.971
  256    H    ALA  36           HN       ALA  36  16.351 -10.722  -3.807
  257    HA   ALA  36           HA       ALA  36  16.785  -8.634  -5.578
  258   1HB   ALA  36           HB2      ALA  36  14.844 -10.944  -5.881
  259   2HB   ALA  36           HB1      ALA  36  15.360  -9.902  -7.207
  260   3HB   ALA  36           HB3      ALA  36  16.537 -10.918  -6.375
  261    H    THR  37           HN       THR  37  15.280  -7.207  -6.770
  262    HA   THR  37           HA       THR  37  13.277  -6.042  -5.025
  263    HB   THR  37           HB       THR  37  12.820  -4.828  -7.391
  264    HG1  THR  37           HG1      THR  37  14.367  -5.170  -8.771
  265   1HG2  THR  37          HG22      THR  37  14.522  -4.414  -5.084
  266   2HG2  THR  37          HG21      THR  37  15.254  -3.712  -6.528
  267   3HG2  THR  37          HG23      THR  37  13.632  -3.225  -6.035
  268    H    GLN  38           HN       GLN  38  13.035  -7.597  -8.254
  269    HA   GLN  38           HA       GLN  38  10.292  -7.603  -8.579
  270   1HB   GLN  38           HB2      GLN  38  11.979 -10.073  -9.061
  271   2HB   GLN  38           HB1      GLN  38  10.518  -9.587  -9.922
  272   1HG   GLN  38           HG2      GLN  38  11.797  -8.467 -11.392
  273   2HG   GLN  38           HG1      GLN  38  12.311  -7.399 -10.085
  274   1HE2  GLN  38          HE22      GLN  38  15.599  -8.616 -10.303
  275   2HE2  GLN  38          HE21      GLN  38  14.559  -7.298 -10.056
  276    H    GLU  39           HN       GLU  39  12.149  -9.627  -6.355
  277    HA   GLU  39           HA       GLU  39   9.985 -11.356  -5.600
  278   1HB   GLU  39           HB2      GLU  39  12.534 -10.492  -4.220
  279   2HB   GLU  39           HB1      GLU  39  11.381 -11.575  -3.439
  280   1HG   GLU  39           HG2      GLU  39  12.145 -12.258  -6.229
  281   2HG   GLU  39           HG1      GLU  39  13.392 -12.474  -5.001
  282    H    MET  40           HN       MET  40  11.294  -8.402  -4.068
  283    HA   MET  40           HA       MET  40   9.398  -8.146  -1.989
  284   1HB   MET  40           HB2      MET  40  11.500  -6.699  -2.602
  285   2HB   MET  40           HB1      MET  40  10.351  -5.746  -3.533
  286   1HG   MET  40           HG2      MET  40  10.497  -4.771  -1.325
  287   2HG   MET  40           HG1      MET  40   8.927  -5.562  -1.473
  288   1HE   MET  40           HE1      MET  40  10.361  -4.543   0.921
  289   2HE   MET  40           HE3      MET  40  10.838  -5.742   2.131
  290   3HE   MET  40           HE2      MET  40  11.987  -5.220   0.902
  291    H    LYS  41           HN       LYS  41   9.351  -6.467  -5.134
  292    HA   LYS  41           HA       LYS  41   6.809  -5.357  -5.065
  293   1HB   LYS  41           HB2      LYS  41   8.340  -5.082  -6.982
  294   2HB   LYS  41           HB1      LYS  41   8.082  -6.767  -7.433
  295   1HG   LYS  41           HG2      LYS  41   5.586  -6.194  -7.552
  296   2HG   LYS  41           HG1      LYS  41   6.081  -4.502  -7.477
  297   1HD   LYS  41           HD2      LYS  41   6.141  -4.738  -9.757
  298   2HD   LYS  41           HD1      LYS  41   7.754  -5.363  -9.412
  299   1HE   LYS  41           HE2      LYS  41   6.748  -7.668  -9.260
  300   2HE   LYS  41           HE1      LYS  41   5.224  -6.979  -9.821
  301   1HZ   LYS  41           HZ2      LYS  41   7.751  -6.616 -11.315
  302   2HZ   LYS  41           HZ1      LYS  41   6.746  -7.965 -11.564
  303   3HZ   LYS  41           HZ3      LYS  41   6.158  -6.403 -11.868
  304    H    ALA  42           HN       ALA  42   7.691  -8.730  -5.606
  305    HA   ALA  42           HA       ALA  42   5.105  -9.693  -6.353
  306   1HB   ALA  42           HB3      ALA  42   7.677 -10.808  -5.689
  307   2HB   ALA  42           HB2      ALA  42   6.413 -11.706  -4.847
  308   3HB   ALA  42           HB1      ALA  42   6.361 -11.546  -6.603
  309    H    ARG  43           HN       ARG  43   6.732  -9.536  -3.178
  310    HA   ARG  43           HA       ARG  43   4.657 -10.617  -1.606
  311   1HB   ARG  43           HB2      ARG  43   6.890  -8.698  -1.097
  312   2HB   ARG  43           HB1      ARG  43   5.634  -8.850   0.132
  313   1HG   ARG  43           HG2      ARG  43   6.207 -11.011   0.651
  314   2HG   ARG  43           HG1      ARG  43   6.712 -11.383  -0.997
  315   1HD   ARG  43           HD2      ARG  43   8.801 -10.268  -0.716
  316   2HD   ARG  43           HD1      ARG  43   8.273  -9.503   0.783
  317    HE   ARG  43           HE       ARG  43   8.785 -12.441   0.529
  318   1HH1  ARG  43          HH21      ARG  43   7.380 -12.089   2.952
  319   2HH1  ARG  43          HH22      ARG  43   8.571 -11.606   4.113
  320   1HH2  ARG  43          HH11      ARG  43  10.904 -10.680   1.718
  321   2HH2  ARG  43          HH12      ARG  43  10.569 -10.806   3.414
  322    H    CYS  44           HN       CYS  44   5.252  -7.162  -2.375
  323    HA   CYS  44           HA       CYS  44   2.972  -6.123  -1.073
  324   1HB   CYS  44           HB2      CYS  44   4.538  -5.200  -3.468
  325   2HB   CYS  44           HB1      CYS  44   3.096  -4.330  -2.941
  326    H    CYS  45           HN       CYS  45   3.269  -7.612  -4.295
  327    HA   CYS  45           HA       CYS  45   0.597  -6.901  -5.127
  328   1HB   CYS  45           HB2      CYS  45   2.391  -9.169  -6.046
  329   2HB   CYS  45           HB1      CYS  45   0.891  -8.690  -6.829
  330    H    ARG  46           HN       ARG  46   1.932  -9.487  -3.181
  331    HA   ARG  46           HA       ARG  46  -0.437 -11.163  -3.288
  332   1HB   ARG  46           HB2      ARG  46   1.998 -11.743  -2.507
  333   2HB   ARG  46           HB1      ARG  46   1.455 -11.135  -0.951
  334   1HG   ARG  46           HG2      ARG  46   0.102 -12.914  -0.573
  335   2HG   ARG  46           HG1      ARG  46  -0.448 -12.971  -2.248
  336   1HD   ARG  46           HD2      ARG  46   0.964 -14.666  -2.678
  337   2HD   ARG  46           HD1      ARG  46   2.333 -13.680  -2.165
  338    HE   ARG  46           HE       ARG  46   0.800 -14.864   0.039
  339   1HH1  ARG  46          HH11      ARG  46   2.963 -15.750  -2.443
  340   2HH1  ARG  46          HH12      ARG  46   4.043 -16.615  -1.402
  341   1HH2  ARG  46          HH21      ARG  46   2.374 -15.723   1.506
  342   2HH2  ARG  46          HH22      ARG  46   3.709 -16.600   0.838
  343    H    GLN  47           HN       GLN  47   0.676  -8.468  -1.343
  344    HA   GLN  47           HA       GLN  47  -1.419  -8.755   0.672
  345   1HB   GLN  47           HB2      GLN  47   0.100  -6.214   0.071
  346   2HB   GLN  47           HB1      GLN  47  -0.567  -6.752   1.613
  347   1HG   GLN  47           HG2      GLN  47   1.265  -8.737   0.589
  348   2HG   GLN  47           HG1      GLN  47   2.059  -7.163   0.659
  349   1HE2  GLN  47          HE22      GLN  47   2.658  -8.084   4.061
  350   2HE2  GLN  47          HE21      GLN  47   3.357  -7.995   2.517
  351    H    LEU  48           HN       LEU  48  -0.987  -6.885  -2.305
  352    HA   LEU  48           HA       LEU  48  -3.391  -5.308  -1.966
  353   1HB   LEU  48           HB2      LEU  48  -1.425  -4.733  -3.473
  354   2HB   LEU  48           HB1      LEU  48  -2.008  -5.979  -4.575
  355    HG   LEU  48           HG       LEU  48  -4.040  -4.032  -3.643
  356   1HD1  LEU  48          HD12      LEU  48  -1.698  -2.876  -4.266
  357   2HD1  LEU  48          HD11      LEU  48  -2.317  -3.119  -5.900
  358   3HD1  LEU  48          HD13      LEU  48  -3.243  -2.168  -4.738
  359   1HD2  LEU  48          HD23      LEU  48  -3.806  -5.991  -5.604
  360   2HD2  LEU  48          HD22      LEU  48  -5.082  -4.777  -5.508
  361   3HD2  LEU  48          HD21      LEU  48  -3.658  -4.484  -6.507
  362    H    GLU  49           HN       GLU  49  -2.618  -8.382  -3.546
  363    HA   GLU  49           HA       GLU  49  -5.228  -8.677  -4.777
  364   1HB   GLU  49           HB2      GLU  49  -2.917  -9.926  -5.236
  365   2HB   GLU  49           HB1      GLU  49  -3.551 -11.057  -4.042
  366   1HG   GLU  49           HG2      GLU  49  -4.957 -11.945  -5.556
  367   2HG   GLU  49           HG1      GLU  49  -5.627 -10.354  -5.918
  368    H    ALA  50           HN       ALA  50  -3.707 -10.267  -1.922
  369    HA   ALA  50           HA       ALA  50  -5.934 -11.647  -0.936
  370   1HB   ALA  50           HB2      ALA  50  -3.485 -10.537   0.210
  371   2HB   ALA  50           HB1      ALA  50  -4.828 -10.453   1.351
  372   3HB   ALA  50           HB3      ALA  50  -4.353 -12.004   0.658
  373    H    ILE  51           HN       ILE  51  -5.034  -8.260  -0.456
  374    HA   ILE  51           HA       ILE  51  -7.392  -7.436   0.948
  375    HB   ILE  51           HB       ILE  51  -5.471  -5.923  -0.850
  376   1HG1  ILE  51          HG12      ILE  51  -5.781  -5.830   2.161
  377   2HG1  ILE  51          HG11      ILE  51  -4.662  -6.930   1.355
  378   1HG2  ILE  51          HG21      ILE  51  -7.889  -5.052   0.707
  379   2HG2  ILE  51          HG23      ILE  51  -6.522  -3.951   0.533
  380   3HG2  ILE  51          HG22      ILE  51  -7.360  -4.550  -0.899
  381   1HD1  ILE  51          HD11      ILE  51  -3.755  -4.840   0.151
  382   2HD1  ILE  51          HD13      ILE  51  -4.629  -3.911   1.370
  383   3HD1  ILE  51          HD12      ILE  51  -3.349  -5.023   1.857
  384    HA   PRO  52           HA       PRO  52  -9.851  -8.351  -2.700
  385   1HB   PRO  52           HB2      PRO  52 -12.273  -7.762  -1.495
  386   2HB   PRO  52           HB1      PRO  52 -11.448  -9.329  -1.389
  387   1HG   PRO  52           HG2      PRO  52 -11.566  -7.118   0.640
  388   2HG   PRO  52           HG1      PRO  52 -11.512  -8.872   0.894
  389   1HD   PRO  52           HD2      PRO  52  -9.310  -7.229   1.201
  390   2HD   PRO  52           HD1      PRO  52  -9.197  -8.950   0.771
  391    H    ALA  53           HN       ALA  53 -10.614  -7.059  -4.311
  392    HA   ALA  53           HA       ALA  53  -9.917  -4.522  -4.790
  393   1HB   ALA  53           HB3      ALA  53 -11.888  -6.235  -5.839
  394   2HB   ALA  53           HB2      ALA  53 -12.671  -4.671  -5.607
  395   3HB   ALA  53           HB1      ALA  53 -11.212  -4.790  -6.591
  396    H    TYR  54           HN       TYR  54 -12.628  -5.370  -2.684
  397    HA   TYR  54           HA       TYR  54 -13.465  -2.608  -2.316
  398   1HB   TYR  54           HB2      TYR  54 -14.127  -5.245  -1.052
  399   2HB   TYR  54           HB1      TYR  54 -14.552  -3.766  -0.191
  400    HD1  TYR  54           HD2      TYR  54 -15.467  -1.864  -2.015
  401    HD2  TYR  54           HD1      TYR  54 -15.886  -6.131  -2.286
  402    HE1  TYR  54           HE2      TYR  54 -17.448  -1.577  -3.480
  403    HE2  TYR  54           HE1      TYR  54 -17.867  -5.843  -3.750
  404    HH   TYR  54           HH       TYR  54 -19.363  -2.753  -4.231
  405    H    CYS  55           HN       CYS  55 -12.554  -1.140  -0.940
  406    HA   CYS  55           HA       CYS  55 -11.398  -0.312   0.948
  407   1HB   CYS  55           HB2      CYS  55 -10.692  -3.138   1.725
  408   2HB   CYS  55           HB1      CYS  55 -10.872  -1.723   2.759
  409    H    ARG  56           HN       ARG  56 -10.122  -1.994  -1.635
  410    HA   ARG  56           HA       ARG  56  -7.474  -2.599  -1.112
  411   1HB   ARG  56           HB2      ARG  56  -8.611  -1.036  -3.447
  412   2HB   ARG  56           HB1      ARG  56  -6.946  -1.613  -3.395
  413   1HG   ARG  56           HG2      ARG  56  -9.100  -3.594  -2.805
  414   2HG   ARG  56           HG1      ARG  56  -8.912  -3.063  -4.479
  415   1HD   ARG  56           HD2      ARG  56  -6.353  -3.519  -4.021
  416   2HD   ARG  56           HD1      ARG  56  -6.977  -4.562  -2.743
  417    HE   ARG  56           HE       ARG  56  -7.466  -6.102  -4.455
  418   1HH1  ARG  56          HH11      ARG  56  -6.525  -3.302  -6.017
  419   2HH1  ARG  56          HH12      ARG  56  -7.484  -3.557  -7.437
  420   1HH2  ARG  56          HH21      ARG  56  -9.219  -6.246  -6.105
  421   2HH2  ARG  56          HH22      ARG  56  -9.010  -5.222  -7.486
  422    H    CYS  57           HN       CYS  57  -7.778   0.502  -2.726
  423    HA   CYS  57           HA       CYS  57  -5.666   1.936  -2.040
  424   1HB   CYS  57           HB2      CYS  57  -8.233   3.280  -1.229
  425   2HB   CYS  57           HB1      CYS  57  -6.859   3.953  -2.100
  426    H    GLU  58           HN       GLU  58  -8.289   1.747   0.428
  427    HA   GLU  58           HA       GLU  58  -7.350   3.084   2.550
  428   1HB   GLU  58           HB2      GLU  58  -8.108   0.163   2.807
  429   2HB   GLU  58           HB1      GLU  58  -8.268   1.413   4.041
  430   1HG   GLU  58           HG2      GLU  58  -9.576   2.322   1.658
  431   2HG   GLU  58           HG1      GLU  58 -10.154   0.698   2.031
  432    H    ALA  59           HN       ALA  59  -6.174  -0.255   1.990
  433    HA   ALA  59           HA       ALA  59  -4.278  -0.685   3.819
  434   1HB   ALA  59           HB3      ALA  59  -4.650  -1.632   1.267
  435   2HB   ALA  59           HB2      ALA  59  -3.031  -0.938   1.177
  436   3HB   ALA  59           HB1      ALA  59  -3.393  -2.181   2.374
  437    H    VAL  60           HN       VAL  60  -3.472   1.337   0.996
  438    HA   VAL  60           HA       VAL  60  -0.919   2.162   1.892
  439    HB   VAL  60           HB       VAL  60  -2.897   3.862   0.345
  440   1HG1  VAL  60          HG12      VAL  60  -0.102   4.144   1.132
  441   2HG1  VAL  60          HG11      VAL  60  -0.304   4.218  -0.618
  442   3HG1  VAL  60          HG13      VAL  60  -1.188   5.336   0.419
  443   1HG2  VAL  60          HG23      VAL  60  -0.966   1.707  -0.566
  444   2HG2  VAL  60          HG22      VAL  60  -2.722   1.693  -0.732
  445   3HG2  VAL  60          HG21      VAL  60  -1.759   2.844  -1.657
  446    H    ARG  61           HN       ARG  61  -4.039   3.859   2.312
  447    HA   ARG  61           HA       ARG  61  -3.090   5.979   3.919
  448   1HB   ARG  61           HB2      ARG  61  -5.747   4.591   3.679
  449   2HB   ARG  61           HB1      ARG  61  -5.512   5.844   4.899
  450   1HG   ARG  61           HG2      ARG  61  -4.677   6.361   2.058
  451   2HG   ARG  61           HG1      ARG  61  -6.374   6.520   2.513
  452   1HD   ARG  61           HD2      ARG  61  -5.814   8.147   4.231
  453   2HD   ARG  61           HD1      ARG  61  -4.090   7.911   3.940
  454    HE   ARG  61           HE       ARG  61  -4.274   9.283   2.018
  455   1HH1  ARG  61          HH21      ARG  61  -6.376   8.143   0.452
  456   2HH1  ARG  61          HH22      ARG  61  -7.700   9.248   0.617
  457   1HH2  ARG  61          HH11      ARG  61  -6.403  10.792   3.436
  458   2HH2  ARG  61          HH12      ARG  61  -7.715  10.747   2.306
  459    H    ILE  62           HN       ILE  62  -3.697   2.636   4.750
  460    HA   ILE  62           HA       ILE  62  -3.695   3.103   7.636
  461    HB   ILE  62           HB       ILE  62  -3.214   0.470   6.236
  462   1HG1  ILE  62          HG12      ILE  62  -5.203   1.649   5.258
  463   2HG1  ILE  62          HG11      ILE  62  -5.632   0.177   6.129
  464   1HG2  ILE  62          HG23      ILE  62  -3.339   1.240   8.906
  465   2HG2  ILE  62          HG22      ILE  62  -4.948   0.592   8.581
  466   3HG2  ILE  62          HG21      ILE  62  -3.519  -0.402   8.292
  467   1HD1  ILE  62          HD12      ILE  62  -5.580   2.726   7.682
  468   2HD1  ILE  62          HD11      ILE  62  -6.918   2.483   6.559
  469   3HD1  ILE  62          HD13      ILE  62  -6.636   1.325   7.859
  470    H    LEU  63           HN       LEU  63  -1.271   2.353   5.198
  471    HA   LEU  63           HA       LEU  63   0.728   1.617   7.191
  472   1HB   LEU  63           HB2      LEU  63   0.867   0.782   4.856
  473   2HB   LEU  63           HB1      LEU  63   1.087   2.438   4.290
  474    HG   LEU  63           HG       LEU  63   2.920   1.519   6.447
  475   1HD1  LEU  63          HD13      LEU  63   3.150   0.577   3.572
  476   2HD1  LEU  63          HD12      LEU  63   4.405   0.409   4.800
  477   3HD1  LEU  63          HD11      LEU  63   2.875  -0.449   4.980
  478   1HD2  LEU  63          HD22      LEU  63   3.274   3.083   3.868
  479   2HD2  LEU  63          HD21      LEU  63   3.064   3.779   5.475
  480   3HD2  LEU  63          HD23      LEU  63   4.517   2.854   5.098
  481    H    MET  64           HN       MET  64   0.169   4.479   5.127
  482    HA   MET  64           HA       MET  64   2.239   5.987   6.530
  483   1HB   MET  64           HB2      MET  64   1.392   6.300   4.084
  484   2HB   MET  64           HB1      MET  64   0.074   7.221   4.815
  485   1HG   MET  64           HG2      MET  64   2.883   7.840   5.655
  486   2HG   MET  64           HG1      MET  64   2.327   8.423   4.086
  487   1HE   MET  64           HE2      MET  64   3.341   9.524   6.789
  488   2HE   MET  64           HE1      MET  64   2.916  11.036   5.990
  489   3HE   MET  64           HE3      MET  64   2.272  10.670   7.597
  490    H    ASP  65           HN       ASP  65  -1.352   6.083   6.454
  491    HA   ASP  65           HA       ASP  65  -1.372   8.053   8.615
  492   1HB   ASP  65           HB2      ASP  65  -3.862   6.570   7.705
  493   2HB   ASP  65           HB1      ASP  65  -3.706   8.184   8.381
  494    H    GLY  66           HN       GLY  66  -1.280   4.591   8.414
  495   1HA   GLY  66           HA2      GLY  66  -0.792   3.329  10.425
  496   2HA   GLY  66           HA1      GLY  66  -1.668   4.533  11.358
  497    H    VAL  67           HN       VAL  67  -2.138   1.827  11.597
  498    HA   VAL  67           HA       VAL  67  -4.823   1.388  10.378
  499    HB   VAL  67           HB       VAL  67  -2.854  -0.310  10.035
  500   1HG1  VAL  67          HG12      VAL  67  -2.529  -0.178  12.676
  501   2HG1  VAL  67          HG11      VAL  67  -3.725  -1.474  12.639
  502   3HG1  VAL  67          HG13      VAL  67  -2.197  -1.658  11.779
  503   1HG2  VAL  67          HG21      VAL  67  -5.702  -0.662  10.541
  504   2HG2  VAL  67          HG23      VAL  67  -4.686  -1.424   9.317
  505   3HG2  VAL  67          HG22      VAL  67  -4.792  -2.120  10.934
  506    H    VAL  68           HN       VAL  68  -6.486   0.522  11.852
  507    HA   VAL  68           HA       VAL  68  -5.845   1.059  14.716
  508    HB   VAL  68           HB       VAL  68  -8.317   1.726  13.125
  509   1HG1  VAL  68          HG12      VAL  68  -8.043   1.523  16.145
  510   2HG1  VAL  68          HG11      VAL  68  -9.401   2.275  15.308
  511   3HG1  VAL  68          HG13      VAL  68  -9.103   0.545  15.130
  512   1HG2  VAL  68          HG22      VAL  68  -6.369   3.191  14.915
  513   2HG2  VAL  68          HG21      VAL  68  -6.726   3.499  13.214
  514   3HG2  VAL  68          HG23      VAL  68  -7.921   3.889  14.452
  515    H    THR  69           HN       THR  69  -7.012  -0.214  16.264
  516    HA   THR  69           HA       THR  69  -7.924  -2.839  15.181
  517    HB   THR  69           HB       THR  69  -7.094  -3.818  17.324
  518    HG1  THR  69           HG1      THR  69  -6.753  -1.172  17.850
  519   1HG2  THR  69          HG21      THR  69  -5.472  -2.641  15.195
  520   2HG2  THR  69          HG23      THR  69  -4.564  -2.892  16.685
  521   3HG2  THR  69          HG22      THR  69  -5.386  -4.248  15.914
  522    H    SER  70           HN       SER  70  -9.575  -3.898  16.500
  523    HA   SER  70           HA       SER  70 -11.697  -2.119  17.214
  524   1HB   SER  70           HB2      SER  70 -11.981  -4.503  16.432
  525   2HB   SER  70           HB1      SER  70 -11.431  -5.022  18.022
  526    HG   SER  70           HG       SER  70 -13.844  -4.562  17.440
  527    H    SER  71           HN       SER  71  -9.151  -3.602  19.025
  528    HA   SER  71           HA       SER  71 -10.283  -3.214  21.645
  529   1HB   SER  71           HB2      SER  71  -7.760  -3.281  22.296
  530   2HB   SER  71           HB1      SER  71  -8.483  -4.726  21.594
  531    HG   SER  71           HG       SER  71  -7.316  -2.752  19.956
  532    H    GLY  72           HN       GLY  72  -9.029  -1.056  19.321
  533   1HA   GLY  72           HA2      GLY  72  -9.259   1.358  19.611
  534   2HA   GLY  72           HA1      GLY  72  -9.065   1.117  21.352
  535    H    GLN  73           HN       GLN  73  -6.877  -0.848  19.673
  536    HA   GLN  73           HA       GLN  73  -4.674   0.987  20.435
  537   1HB   GLN  73           HB2      GLN  73  -4.799  -1.924  19.630
  538   2HB   GLN  73           HB1      GLN  73  -3.268  -1.064  19.799
  539   1HG   GLN  73           HG2      GLN  73  -3.741  -0.549  22.118
  540   2HG   GLN  73           HG1      GLN  73  -5.370  -1.212  21.976
  541   1HE2  GLN  73          HE22      GLN  73  -2.293  -3.693  22.773
  542   2HE2  GLN  73          HE21      GLN  73  -2.106  -2.007  22.725
  543    H    HIS  74           HN       HIS  74  -2.939   1.460  18.887
  544    HA   HIS  74           HA       HIS  74  -3.912   1.386  16.066
  545   1HB   HIS  74           HB2      HIS  74  -2.365   3.444  17.617
  546   2HB   HIS  74           HB1      HIS  74  -2.257   3.374  15.871
  547    HD1  HIS  74           HD1      HIS  74  -3.575   5.497  15.357
  548    HD2  HIS  74           HD2      HIS  74  -5.688   2.839  17.770
  549    HE1  HIS  74           HE1      HIS  74  -5.946   6.376  15.486
  550    H    GLU  75           HN       GLU  75  -2.270   1.081  14.466
  551    HA   GLU  75           HA       GLU  75   0.401   0.174  15.359
  552   1HB   GLU  75           HB2      GLU  75  -1.267  -1.596  13.568
  553   2HB   GLU  75           HB1      GLU  75   0.241  -1.992  14.394
  554   1HG   GLU  75           HG2      GLU  75  -2.323  -1.306  15.853
  555   2HG   GLU  75           HG1      GLU  75  -1.837  -2.958  15.472
  556    H    GLY  76           HN       GLY  76   1.364  -0.812  13.038
  557   1HA   GLY  76           HA2      GLY  76   2.238  -0.131  10.965
  558   2HA   GLY  76           HA1      GLY  76   0.629   0.519  10.636
  559    H    ARG  77           HN       ARG  77   1.337   2.473   9.709
  560    HA   ARG  77           HA       ARG  77   2.065   4.705   9.741
  561   1HB   ARG  77           HB2      ARG  77   0.921   4.145  12.299
  562   2HB   ARG  77           HB1      ARG  77   2.339   5.165  12.546
  563   1HG   ARG  77           HG2      ARG  77   0.940   6.159  10.265
  564   2HG   ARG  77           HG1      ARG  77  -0.233   5.933  11.563
  565   1HD   ARG  77           HD2      ARG  77   2.388   7.211  12.231
  566   2HD   ARG  77           HD1      ARG  77   1.179   8.176  11.385
  567    HE   ARG  77           HE       ARG  77   0.303   6.750  13.830
  568   1HH1  ARG  77          HH21      ARG  77  -1.635   8.478  13.762
  569   2HH1  ARG  77          HH22      ARG  77  -1.072  10.039  14.259
  570   1HH2  ARG  77          HH11      ARG  77   2.277   9.271  13.801
  571   2HH2  ARG  77          HH12      ARG  77   1.141  10.487  14.282
  572    H    LEU  78           HN       LEU  78   4.022   2.292  10.277
  573    HA   LEU  78           HA       LEU  78   6.179   3.512  11.790
  574   1HB   LEU  78           HB2      LEU  78   6.074   1.069   9.997
  575   2HB   LEU  78           HB1      LEU  78   7.515   1.565  10.886
  576    HG   LEU  78           HG       LEU  78   5.273   1.590  12.676
  577   1HD1  LEU  78          HD11      LEU  78   4.692  -0.191  10.734
  578   2HD1  LEU  78          HD13      LEU  78   5.712  -1.204  11.755
  579   3HD1  LEU  78          HD12      LEU  78   4.262  -0.453  12.424
  580   1HD2  LEU  78          HD23      LEU  78   7.700   1.323  13.225
  581   2HD2  LEU  78          HD22      LEU  78   6.700   0.055  13.935
  582   3HD2  LEU  78          HD21      LEU  78   7.657  -0.280  12.493
  583    H    LEU  79           HN       LEU  79   5.084   3.716   8.514
  584    HA   LEU  79           HA       LEU  79   7.403   4.167   7.035
  585   1HB   LEU  79           HB2      LEU  79   4.959   4.338   6.271
  586   2HB   LEU  79           HB1      LEU  79   4.994   5.992   6.882
  587    HG   LEU  79           HG       LEU  79   7.157   5.059   5.022
  588   1HD1  LEU  79          HD12      LEU  79   4.384   6.006   4.237
  589   2HD1  LEU  79          HD11      LEU  79   5.751   5.890   3.127
  590   3HD1  LEU  79          HD13      LEU  79   5.097   4.434   3.876
  591   1HD2  LEU  79          HD21      LEU  79   6.228   7.532   6.232
  592   2HD2  LEU  79          HD23      LEU  79   7.733   7.215   5.369
  593   3HD2  LEU  79          HD22      LEU  79   6.284   7.675   4.475
  594    H    GLN  80           HN       GLN  80   9.072   5.140   8.258
  595    HA   GLN  80           HA       GLN  80   8.601   8.015   8.942
  596   1HB   GLN  80           HB2      GLN  80   9.999   5.858  10.515
  597   2HB   GLN  80           HB1      GLN  80  10.403   7.559  10.751
  598   1HG   GLN  80           HG2      GLN  80   7.616   6.383  10.979
  599   2HG   GLN  80           HG1      GLN  80   8.654   6.803  12.343
  600   1HE2  GLN  80          HE22      GLN  80   8.348  10.373  11.718
  601   2HE2  GLN  80          HE21      GLN  80   9.504   9.222  12.190
  602    H    ASP  81           HN       ASP  81  10.907   9.030   9.348
  603    HA   ASP  81           HA       ASP  81  12.243   8.931   6.797
  604   1HB   ASP  81           HB2      ASP  81  13.209  10.264   9.346
  605   2HB   ASP  81           HB1      ASP  81  13.694  10.640   7.691
  606    H    LEU  82           HN       LEU  82  13.358   7.143   6.331
  607    HA   LEU  82           HA       LEU  82  15.034   5.745   8.300
  608   1HB   LEU  82           HB2      LEU  82  14.305   5.371   5.395
  609   2HB   LEU  82           HB1      LEU  82  15.657   4.479   6.069
  610    HG   LEU  82           HG       LEU  82  13.001   4.489   7.481
  611   1HD1  LEU  82          HD12      LEU  82  12.572   3.825   5.128
  612   2HD1  LEU  82          HD11      LEU  82  13.843   2.609   5.251
  613   3HD1  LEU  82          HD13      LEU  82  12.384   2.460   6.229
  614   1HD2  LEU  82          HD21      LEU  82  15.074   3.579   8.566
  615   2HD2  LEU  82          HD23      LEU  82  13.819   2.360   8.344
  616   3HD2  LEU  82          HD22      LEU  82  15.202   2.411   7.251
  617    HA   PRO  83           HA       PRO  83  18.741   7.850   7.245
  618   1HB   PRO  83           HB2      PRO  83  20.570   5.865   6.661
  619   2HB   PRO  83           HB1      PRO  83  20.065   6.299   8.303
  620   1HG   PRO  83           HG2      PRO  83  19.246   3.949   6.642
  621   2HG   PRO  83           HG1      PRO  83  19.388   4.085   8.403
  622   1HD   PRO  83           HD2      PRO  83  16.982   4.159   7.008
  623   2HD   PRO  83           HD1      PRO  83  17.210   4.808   8.639
  624    H    GLY  84           HN       GLY  84  18.404   8.991   5.385
  625   1HA   GLY  84           HA2      GLY  84  19.055   9.515   3.142
  626   2HA   GLY  84           HA1      GLY  84  19.340   7.799   2.840
  627    H    CYS  85           HN       CYS  85  16.364   8.118   4.436
  628    HA   CYS  85           HA       CYS  85  14.864   8.495   1.884
  629   1HB   CYS  85           HB2      CYS  85  14.069   6.321   3.801
  630   2HB   CYS  85           HB1      CYS  85  13.682   6.483   2.089
  631    HA   PRO  86           HA       PRO  86  13.003  10.752   5.432
  632   1HB   PRO  86           HB2      PRO  86  12.313  12.987   3.976
  633   2HB   PRO  86           HB1      PRO  86  13.871  12.768   4.772
  634   1HG   PRO  86           HG2      PRO  86  13.202  12.586   1.878
  635   2HG   PRO  86           HG1      PRO  86  14.749  12.981   2.644
  636   1HD   PRO  86           HD2      PRO  86  14.059  10.495   1.497
  637   2HD   PRO  86           HD1      PRO  86  15.451  10.800   2.562
  638    H    ARG  87           HN       ARG  87  10.730  11.393   5.812
  639    HA   ARG  87           HA       ARG  87   8.746   9.775   4.760
  640   1HB   ARG  87           HB2      ARG  87   8.458  12.689   5.563
  641   2HB   ARG  87           HB1      ARG  87   7.146  11.525   5.450
  642   1HG   ARG  87           HG2      ARG  87   9.303  10.489   7.078
  643   2HG   ARG  87           HG1      ARG  87   8.742  12.044   7.693
  644   1HD   ARG  87           HD2      ARG  87   6.837   9.815   6.954
  645   2HD   ARG  87           HD1      ARG  87   7.505   9.988   8.577
  646    HE   ARG  87           HE       ARG  87   5.684  11.949   7.262
  647   1HH1  ARG  87          HH21      ARG  87   7.964  12.236   9.588
  648   2HH1  ARG  87          HH22      ARG  87   6.890  12.557  10.909
  649   1HH2  ARG  87          HH11      ARG  87   4.033  11.708   9.138
  650   2HH2  ARG  87          HH12      ARG  87   4.666  12.257  10.654
  651    H    GLN  88           HN       GLN  88  10.214  12.631   3.437
  652    HA   GLN  88           HA       GLN  88   8.346  13.450   1.503
  653   1HB   GLN  88           HB2      GLN  88  10.315  14.761   1.886
  654   2HB   GLN  88           HB1      GLN  88  11.367  13.425   1.419
  655   1HG   GLN  88           HG2      GLN  88  10.614  13.540  -0.872
  656   2HG   GLN  88           HG1      GLN  88   9.365  14.714  -0.453
  657   1HE2  GLN  88          HE22      GLN  88  12.107  16.777  -1.767
  658   2HE2  GLN  88          HE21      GLN  88  10.920  15.720  -2.362
  659    H    VAL  89           HN       VAL  89  11.131  11.285   0.792
  660    HA   VAL  89           HA       VAL  89  10.271  10.585  -1.803
  661    HB   VAL  89           HB       VAL  89  11.894   8.991   0.190
  662   1HG1  VAL  89          HG13      VAL  89  10.916   7.919  -2.016
  663   2HG1  VAL  89          HG12      VAL  89  12.186   8.864  -2.793
  664   3HG1  VAL  89          HG11      VAL  89  12.605   7.652  -1.584
  665   1HG2  VAL  89          HG23      VAL  89  12.675  11.303  -0.249
  666   2HG2  VAL  89          HG22      VAL  89  13.802  10.076  -0.827
  667   3HG2  VAL  89          HG21      VAL  89  12.751  10.918  -1.968
  668    H    GLN  90           HN       GLN  90   9.610   9.075   1.330
  669    HA   GLN  90           HA       GLN  90   8.206   6.803   0.299
  670   1HB   GLN  90           HB2      GLN  90   8.674   8.025   2.887
  671   2HB   GLN  90           HB1      GLN  90   6.999   7.487   2.750
  672   1HG   GLN  90           HG2      GLN  90   8.176   5.586   3.552
  673   2HG   GLN  90           HG1      GLN  90   7.961   5.285   1.827
  674   1HE2  GLN  90          HE22      GLN  90  11.713   6.533   2.991
  675   2HE2  GLN  90          HE21      GLN  90  10.351   7.214   3.742
  676    H    ARG  91           HN       ARG  91   7.320  10.141   0.754
  677    HA   ARG  91           HA       ARG  91   4.449   9.667   0.493
  678   1HB   ARG  91           HB2      ARG  91   5.544  11.662   1.666
  679   2HB   ARG  91           HB1      ARG  91   5.874  12.299   0.056
  680   1HG   ARG  91           HG2      ARG  91   3.784  13.122  -0.001
  681   2HG   ARG  91           HG1      ARG  91   3.171  11.468   0.037
  682   1HD   ARG  91           HD2      ARG  91   4.036  12.268   2.678
  683   2HD   ARG  91           HD1      ARG  91   2.875  13.432   2.039
  684    HE   ARG  91           HE       ARG  91   2.167  10.561   1.836
  685   1HH1  ARG  91          HH11      ARG  91   2.274  12.435   4.490
  686   2HH1  ARG  91          HH12      ARG  91   0.565  12.597   4.725
  687   1HH2  ARG  91          HH21      ARG  91  -0.253  11.280   1.623
  688   2HH2  ARG  91          HH22      ARG  91  -0.865  11.944   3.102
  689    H    ALA  92           HN       ALA  92   7.130  10.410  -1.682
  690    HA   ALA  92           HA       ALA  92   5.437  11.088  -3.939
  691   1HB   ALA  92           HB1      ALA  92   7.810  11.813  -3.770
  692   2HB   ALA  92           HB3      ALA  92   8.316  10.129  -3.910
  693   3HB   ALA  92           HB2      ALA  92   7.497  10.918  -5.258
  694    H    PHE  93           HN       PHE  93   7.127   8.139  -2.878
  695    HA   PHE  93           HA       PHE  93   6.154   6.576  -5.143
  696   1HB   PHE  93           HB2      PHE  93   8.243   5.926  -4.094
  697   2HB   PHE  93           HB1      PHE  93   7.444   5.763  -2.529
  698    HD1  PHE  93           HD1      PHE  93   5.657   3.998  -2.221
  699    HD2  PHE  93           HD2      PHE  93   8.164   4.174  -5.706
  700    HE1  PHE  93           HE1      PHE  93   5.054   1.657  -2.777
  701    HE2  PHE  93           HE2      PHE  93   7.562   1.833  -6.260
  702    HZ   PHE  93           HZ       PHE  93   6.006   0.574  -4.795
  703    H    ALA  94           HN       ALA  94   5.019   7.326  -1.931
  704    HA   ALA  94           HA       ALA  94   3.393   5.305  -1.143
  705   1HB   ALA  94           HB2      ALA  94   3.392   8.129  -0.803
  706   2HB   ALA  94           HB1      ALA  94   1.729   7.635  -1.114
  707   3HB   ALA  94           HB3      ALA  94   2.627   6.915   0.221
  708    HA   PRO  95           HA       PRO  95  -0.046   6.326  -4.296
  709   1HB   PRO  95           HB2      PRO  95   0.575   8.106  -6.306
  710   2HB   PRO  95           HB1      PRO  95  -0.177   8.572  -4.769
  711   1HG   PRO  95           HG2      PRO  95   2.647   8.940  -5.668
  712   2HG   PRO  95           HG1      PRO  95   1.697   9.905  -4.525
  713   1HD   PRO  95           HD2      PRO  95   3.645   8.008  -3.823
  714   2HD   PRO  95           HD1      PRO  95   2.422   8.670  -2.725
  715    H    LYS  96           HN       LYS  96  -0.252   5.971  -6.879
  716    HA   LYS  96           HA       LYS  96   0.405   4.700  -8.750
  717   1HB   LYS  96           HB2      LYS  96   3.192   4.619  -7.575
  718   2HB   LYS  96           HB1      LYS  96   2.721   4.469  -9.268
  719   1HG   LYS  96           HG2      LYS  96   1.839   6.966  -7.955
  720   2HG   LYS  96           HG1      LYS  96   3.586   6.797  -8.128
  721   1HD   LYS  96           HD2      LYS  96   3.454   7.242 -10.328
  722   2HD   LYS  96           HD1      LYS  96   2.290   5.937 -10.555
  723   1HE   LYS  96           HE2      LYS  96   0.796   7.569 -11.036
  724   2HE   LYS  96           HE1      LYS  96   0.783   7.890  -9.301
  725   1HZ   LYS  96           HZ2      LYS  96   2.939   9.085 -10.860
  726   2HZ   LYS  96           HZ1      LYS  96   1.384   9.737 -11.076
  727   3HZ   LYS  96           HZ3      LYS  96   2.083   9.708  -9.530
  728    H    LEU  97           HN       LEU  97  -0.335   3.652  -6.012
  729    HA   LEU  97           HA       LEU  97   1.124   1.177  -5.625
  730   1HB   LEU  97           HB2      LEU  97  -0.223   2.394  -3.858
  731   2HB   LEU  97           HB1      LEU  97  -1.677   1.793  -4.660
  732    HG   LEU  97           HG       LEU  97  -0.652  -0.544  -4.444
  733   1HD1  LEU  97          HD11      LEU  97   1.601   0.794  -3.722
  734   2HD1  LEU  97          HD13      LEU  97   0.923   0.440  -2.132
  735   3HD1  LEU  97          HD12      LEU  97   1.271  -0.875  -3.254
  736   1HD2  LEU  97          HD21      LEU  97  -2.166   1.030  -2.660
  737   2HD2  LEU  97          HD23      LEU  97  -2.069  -0.730  -2.700
  738   3HD2  LEU  97          HD22      LEU  97  -0.981   0.189  -1.660
  739    H    VAL  98           HN       VAL  98  -2.379   1.467  -6.482
  740    HA   VAL  98           HA       VAL  98  -2.282  -1.171  -7.717
  741    HB   VAL  98           HB       VAL  98  -4.602  -0.976  -7.971
  742   1HG1  VAL  98          HG12      VAL  98  -3.431  -0.481  -5.565
  743   2HG1  VAL  98          HG11      VAL  98  -4.481   0.929  -5.714
  744   3HG1  VAL  98          HG13      VAL  98  -5.168  -0.693  -5.782
  745   1HG2  VAL  98          HG21      VAL  98  -3.958   1.818  -8.501
  746   2HG2  VAL  98          HG23      VAL  98  -5.383   0.895  -8.980
  747   3HG2  VAL  98          HG22      VAL  98  -5.325   1.671  -7.397
  748    H    THR  99           HN       THR  99  -0.659   1.078  -8.960
  749    HA   THR  99           HA       THR  99  -2.015   1.167 -11.601
  750    HB   THR  99           HB       THR  99  -0.717   3.069 -12.126
  751    HG1  THR  99           HG1      THR  99   0.960   2.836  -9.920
  752   1HG2  THR  99          HG23      THR  99  -2.320   3.285 -10.099
  753   2HG2  THR  99          HG22      THR  99  -0.847   3.374  -9.135
  754   3HG2  THR  99          HG21      THR  99  -1.158   4.582 -10.382
  755    H    GLU 100           HN       GLU 100  -0.267   1.040 -13.508
  756    HA   GLU 100           HA       GLU 100   0.831  -1.573 -13.457
  757   1HB   GLU 100           HB2      GLU 100   0.792   0.685 -15.266
  758   2HB   GLU 100           HB1      GLU 100   2.359  -0.125 -15.308
  759   1HG   GLU 100           HG2      GLU 100   1.318  -2.260 -15.768
  760   2HG   GLU 100           HG1      GLU 100  -0.290  -1.576 -15.529
  761    H    VAL 101           HN       VAL 101   2.070   0.997 -11.603
  762    HA   VAL 101           HA       VAL 101   4.873   0.127 -12.001
  763    HB   VAL 101           HB       VAL 101   3.935   2.291 -10.123
  764   1HG1  VAL 101          HG11      VAL 101   6.464   1.233 -11.082
  765   2HG1  VAL 101          HG13      VAL 101   6.322   2.954 -11.439
  766   3HG1  VAL 101          HG12      VAL 101   6.160   2.382  -9.778
  767   1HG2  VAL 101          HG22      VAL 101   4.142   2.304 -13.119
  768   2HG2  VAL 101          HG21      VAL 101   2.956   3.094 -12.082
  769   3HG2  VAL 101          HG23      VAL 101   4.583   3.757 -12.223
  770    H    GLU 102           HN       GLU 102   2.371  -1.042 -10.253
  771    HA   GLU 102           HA       GLU 102   4.231  -2.010  -8.156
  772   1HB   GLU 102           HB2      GLU 102   2.097  -0.097  -7.690
  773   2HB   GLU 102           HB1      GLU 102   1.845  -1.571  -6.754
  774   1HG   GLU 102           HG2      GLU 102   4.484  -0.090  -6.840
  775   2HG   GLU 102           HG1      GLU 102   3.264   0.169  -5.592
  776    H    CYS 103           HN       CYS 103   0.723  -2.327  -7.974
  777    HA   CYS 103           HA       CYS 103   0.871  -5.069  -9.132
  778   1HB   CYS 103           HB2      CYS 103  -0.255  -4.495  -6.373
  779   2HB   CYS 103           HB1      CYS 103  -0.143  -6.067  -7.165
  780    H    ASN 104           HN       ASN 104  -0.394  -2.687 -10.164
  781    HA   ASN 104           HA       ASN 104  -2.926  -1.981  -9.632
  782   1HB   ASN 104           HB2      ASN 104  -1.850  -1.259 -11.673
  783   2HB   ASN 104           HB1      ASN 104  -1.915  -2.894 -12.332
  784   1HD2  ASN 104          HD22      ASN 104  -4.965  -2.034 -13.871
  785   2HD2  ASN 104          HD21      ASN 104  -3.379  -2.608 -14.064
  786    H    LEU 105           HN       LEU 105  -3.012  -4.422 -12.139
  787    HA   LEU 105           HA       LEU 105  -4.185  -6.483 -12.208
  788   1HB   LEU 105           HB2      LEU 105  -5.292  -5.870  -9.462
  789   2HB   LEU 105           HB1      LEU 105  -5.243  -7.427 -10.281
  790    HG   LEU 105           HG       LEU 105  -2.634  -6.051  -9.846
  791   1HD1  LEU 105          HD12      LEU 105  -4.163  -5.959  -7.701
  792   2HD1  LEU 105          HD11      LEU 105  -3.805  -7.684  -7.609
  793   3HD1  LEU 105          HD13      LEU 105  -2.493  -6.506  -7.559
  794   1HD2  LEU 105          HD21      LEU 105  -3.751  -8.788 -10.179
  795   2HD2  LEU 105          HD23      LEU 105  -2.245  -8.107 -10.793
  796   3HD2  LEU 105          HD22      LEU 105  -2.349  -8.647  -9.117
  797    H    ALA 106           HN       ALA 106  -6.093  -4.262 -10.242
  798    HA   ALA 106           HA       ALA 106  -7.660  -2.932 -12.023
  799   1HB   ALA 106           HB3      ALA 106  -8.380  -5.832 -12.010
  800   2HB   ALA 106           HB2      ALA 106  -9.705  -4.671 -12.064
  801   3HB   ALA 106           HB1      ALA 106  -8.472  -4.661 -13.325
  802    H    THR 107           HN       THR 107  -8.509  -1.545 -10.531
  803    HA   THR 107           HA       THR 107  -9.296  -2.536  -7.868
  804    HB   THR 107           HB       THR 107  -9.314  -0.278  -7.208
  805    HG1  THR 107           HG1      THR 107  -9.839   0.308  -9.940
  806   1HG2  THR 107          HG21      THR 107  -7.106  -1.008  -8.253
  807   2HG2  THR 107          HG23      THR 107  -7.588  -0.085  -9.676
  808   3HG2  THR 107          HG22      THR 107  -7.369   0.731  -8.129
  809    H    ILE 108           HN       ILE 108 -11.520  -0.813  -7.376
  810    HA   ILE 108           HA       ILE 108 -13.641  -2.371  -8.608
  811    HB   ILE 108           HB       ILE 108 -13.698  -1.353  -6.277
  812   1HG1  ILE 108          HG12      ILE 108 -16.146  -0.531  -6.629
  813   2HG1  ILE 108          HG11      ILE 108 -15.890  -0.982  -8.316
  814   1HG2  ILE 108          HG21      ILE 108 -12.895   0.919  -7.328
  815   2HG2  ILE 108          HG23      ILE 108 -14.614   1.168  -7.631
  816   3HG2  ILE 108          HG22      ILE 108 -14.034   0.939  -5.982
  817   1HD1  ILE 108          HD12      ILE 108 -14.943  -3.066  -6.527
  818   2HD1  ILE 108          HD11      ILE 108 -16.641  -2.696  -6.227
  819   3HD1  ILE 108          HD13      ILE 108 -16.114  -3.173  -7.841
  820    H    HIS 109           HN       HIS 109 -11.949   0.475  -9.464
  821    HA   HIS 109           HA       HIS 109 -14.051   1.686 -11.091
  822   1HB   HIS 109           HB2      HIS 109 -11.065   2.160 -10.953
  823   2HB   HIS 109           HB1      HIS 109 -12.208   3.165 -11.843
  824    HD1  HIS 109           HD1      HIS 109 -13.705   4.762 -10.483
  825    HD2  HIS 109           HD2      HIS 109 -11.279   2.344  -8.118
  826    HE1  HIS 109           HE1      HIS 109 -13.855   5.683  -8.129
  827    H    GLY 110           HN       GLY 110 -12.830  -1.201 -11.587
  828   1HA   GLY 110           HA2      GLY 110 -12.156  -2.463 -13.456
  829   2HA   GLY 110           HA1      GLY 110 -13.345  -1.460 -14.289
  830    H    GLY 111           HN       GLY 111 -10.545  -0.002 -12.799
  831   1HA   GLY 111           HA2      GLY 111  -9.049   0.059 -15.332
  832   2HA   GLY 111           HA1      GLY 111  -9.688   1.613 -14.796
  833    HA   PRO 112           HA       PRO 112  -5.600   0.655 -12.671
  834   1HB   PRO 112           HB2      PRO 112  -4.052   2.398 -14.147
  835   2HB   PRO 112           HB1      PRO 112  -4.255   0.684 -14.548
  836   1HG   PRO 112           HG2      PRO 112  -5.424   3.086 -15.868
  837   2HG   PRO 112           HG1      PRO 112  -5.098   1.482 -16.544
  838   1HD   PRO 112           HD2      PRO 112  -7.628   2.460 -15.732
  839   2HD   PRO 112           HD1      PRO 112  -7.230   0.771 -16.111
  840    H    PHE 113           HN       PHE 113  -6.911   1.913 -11.023
  841    HA   PHE 113           HA       PHE 113  -5.639   4.200 -10.094
  842   1HB   PHE 113           HB2      PHE 113  -7.385   5.978 -10.718
  843   2HB   PHE 113           HB1      PHE 113  -6.227   5.520 -11.959
  844    HD1  PHE 113           HD1      PHE 113  -8.679   2.948 -11.286
  845    HD2  PHE 113           HD2      PHE 113  -7.993   6.565 -13.499
  846    HE1  PHE 113           HE1      PHE 113 -10.541   2.369 -12.807
  847    HE2  PHE 113           HE2      PHE 113  -9.858   5.983 -15.024
  848    HZ   PHE 113           HZ       PHE 113 -11.137   3.884 -14.679
  849    H    CYS 114           HN       CYS 114  -7.073   5.505  -8.524
  850    HA   CYS 114           HA       CYS 114  -9.601   4.471  -7.713
  851   1HB   CYS 114           HB2      CYS 114  -9.150   2.858  -6.171
  852   2HB   CYS 114           HB1      CYS 114  -7.660   2.678  -7.071
  853    H    LEU 115           HN       LEU 115 -10.509   5.822  -6.048
  854    HA   LEU 115           HA       LEU 115 -10.680   7.930  -5.008
  855   1HB   LEU 115           HB2      LEU 115  -8.191   6.684  -3.827
  856   2HB   LEU 115           HB1      LEU 115  -8.874   8.192  -3.217
  857    HG   LEU 115           HG       LEU 115 -10.452   5.620  -3.487
  858   1HD1  LEU 115          HD13      LEU 115  -8.481   6.377  -1.536
  859   2HD1  LEU 115          HD12      LEU 115 -10.070   6.363  -0.772
  860   3HD1  LEU 115          HD11      LEU 115  -9.471   4.919  -1.587
  861   1HD2  LEU 115          HD21      LEU 115 -11.311   8.230  -3.257
  862   2HD2  LEU 115          HD23      LEU 115 -12.236   6.817  -2.749
  863   3HD2  LEU 115          HD22      LEU 115 -11.265   7.705  -1.575
  864    H    SER 116           HN       SER 116  -9.865   8.476  -7.480
  865    HA   SER 116           HA       SER 116  -8.491  10.922  -7.337
  866   1HB   SER 116           HB2      SER 116  -6.473   9.795  -6.699
  867   2HB   SER 116           HB1      SER 116  -6.705   8.549  -7.921
  868    HG   SER 116           HG       SER 116  -5.202  10.434  -8.332
  869    H    LEU 117           HN       LEU 117  -8.026   8.148  -9.556
  870    HA   LEU 117           HA       LEU 117  -8.553   7.932 -11.834
  871   1HB   LEU 117           HB2      LEU 117 -10.813   9.425 -10.618
  872   2HB   LEU 117           HB1      LEU 117 -10.686   9.514 -12.375
  873    HG   LEU 117           HG       LEU 117 -10.199   6.832 -11.818
  874   1HD1  LEU 117          HD11      LEU 117 -12.370   7.943 -10.020
  875   2HD1  LEU 117          HD13      LEU 117 -12.234   6.236 -10.440
  876   3HD1  LEU 117          HD12      LEU 117 -10.944   7.025  -9.532
  877   1HD2  LEU 117          HD21      LEU 117 -12.688   8.333 -12.666
  878   2HD2  LEU 117          HD23      LEU 117 -11.496   7.550 -13.703
  879   3HD2  LEU 117          HD22      LEU 117 -12.576   6.573 -12.707
  880    H    LEU 118           HN       LEU 118  -6.796  10.213 -10.814
  881    HA   LEU 118           HA       LEU 118  -5.570  11.913 -11.839
  882   1HB   LEU 118           HB2      LEU 118  -7.079  10.828 -14.199
  883   2HB   LEU 118           HB1      LEU 118  -6.169  12.323 -14.345
  884    HG   LEU 118           HG       LEU 118  -4.394  10.689 -13.017
  885   1HD1  LEU 118          HD13      LEU 118  -6.301   8.915 -13.756
  886   2HD1  LEU 118          HD12      LEU 118  -5.307   8.910 -15.213
  887   3HD1  LEU 118          HD11      LEU 118  -4.591   8.497 -13.656
  888   1HD2  LEU 118          HD22      LEU 118  -4.821  11.323 -15.937
  889   2HD2  LEU 118          HD21      LEU 118  -3.642  12.017 -14.824
  890   3HD2  LEU 118          HD23      LEU 118  -3.439  10.364 -15.407
  891    H    GLY 119           HN       GLY 119  -9.007  12.088 -11.643
  892   1HA   GLY 119           HA2      GLY 119  -8.951  14.892 -11.111
  893   2HA   GLY 119           HA1      GLY 119  -9.568  14.607 -12.741
  894    H    ALA 120           HN       ALA 120 -11.408  15.711 -11.164
  895    HA   ALA 120           HA       ALA 120 -13.215  13.430 -10.523
  896   1HB   ALA 120           HB3      ALA 120 -12.079  14.599  -8.473
  897   2HB   ALA 120           HB2      ALA 120 -13.225  15.898  -8.807
  898   3HB   ALA 120           HB1      ALA 120 -13.812  14.279  -8.428
  899    H    GLY 121           HN       GLY 121 -13.724  14.329 -12.833
  900   1HA   GLY 121           HA2      GLY 121 -15.056  16.847 -13.119
  901   2HA   GLY 121           HA1      GLY 121 -15.242  15.474 -14.212
  902    H    GLU 122           HN       GLU 122 -15.994  13.958 -11.560
  903    HA   GLU 122           HA       GLU 122 -18.809  13.955 -11.974
  904   1HB   GLU 122           HB2      GLU 122 -16.964  12.561 -10.350
  905   2HB   GLU 122           HB1      GLU 122 -18.153  13.255  -9.247
  906   1HG   GLU 122           HG2      GLU 122 -19.905  12.364 -10.966
  907   2HG   GLU 122           HG1      GLU 122 -18.587  11.329 -11.518
   
  No H/Q in entry =         907
  Start of MODEL          20
 Raw file had  930 H/Q atoms
  Start of MODEL   20
    1   1H    SER   1           HT3      SER   1 -25.981   5.747   6.839
    2   2H    SER   1           HT2      SER   1 -27.086   4.664   7.540
    3   3H    SER   1           HT1      SER   1 -26.222   5.754   8.518
    4    HA   SER   1           HA       SER   1 -24.902   3.985   8.881
    5   1HB   SER   1           HB2      SER   1 -24.934   2.020   7.593
    6   2HB   SER   1           HB1      SER   1 -26.562   2.657   7.373
    7    HG   SER   1           HG       SER   1 -25.529   2.061   5.391
    8    H    VAL   2           HN       VAL   2 -22.887   2.924   7.411
    9    HA   VAL   2           HA       VAL   2 -21.321   5.296   6.712
   10    HB   VAL   2           HB       VAL   2 -20.693   2.335   6.762
   11   1HG1  VAL   2          HG11      VAL   2 -19.265   4.585   5.511
   12   2HG1  VAL   2          HG13      VAL   2 -18.279   3.646   6.632
   13   3HG1  VAL   2          HG12      VAL   2 -19.063   2.850   5.267
   14   1HG2  VAL   2          HG22      VAL   2 -20.961   3.605   8.928
   15   2HG2  VAL   2          HG21      VAL   2 -19.354   2.916   8.694
   16   3HG2  VAL   2          HG23      VAL   2 -19.623   4.637   8.422
   17    H    GLY   3           HN       GLY   3 -21.052   2.318   4.871
   18   1HA   GLY   3           HA2      GLY   3 -22.420   2.461   2.605
   19   2HA   GLY   3           HA1      GLY   3 -21.420   3.899   2.386
   20    H    THR   4           HN       THR   4 -19.201   3.641   1.936
   21    HA   THR   4           HA       THR   4 -18.459   0.952   0.967
   22    HB   THR   4           HB       THR   4 -17.963   2.834  -0.501
   23    HG1  THR   4           HG1      THR   4 -15.481   2.618  -0.220
   24   1HG2  THR   4          HG22      THR   4 -16.576   3.904   1.955
   25   2HG2  THR   4          HG21      THR   4 -16.169   4.482   0.339
   26   3HG2  THR   4          HG23      THR   4 -17.806   4.687   0.963
   27    H    SER   5           HN       SER   5 -18.697   1.202   3.801
   28    HA   SER   5           HA       SER   5 -16.157   1.680   5.061
   29   1HB   SER   5           HB2      SER   5 -18.768   0.966   5.888
   30   2HB   SER   5           HB1      SER   5 -17.700  -0.305   6.475
   31    HG   SER   5           HG       SER   5 -16.407   1.318   7.409
   32    H    CYS   6           HN       CYS   6 -15.179  -0.322   6.376
   33    HA   CYS   6           HA       CYS   6 -14.969  -2.673   4.549
   34   1HB   CYS   6           HB2      CYS   6 -12.704  -1.038   5.717
   35   2HB   CYS   6           HB1      CYS   6 -12.477  -2.668   5.087
   36    H    ILE   7           HN       ILE   7 -13.526  -4.410   5.832
   37    HA   ILE   7           HA       ILE   7 -14.581  -4.446   8.625
   38    HB   ILE   7           HB       ILE   7 -13.898  -6.852   6.915
   39   1HG1  ILE   7          HG12      ILE   7 -15.766  -5.567   5.923
   40   2HG1  ILE   7          HG11      ILE   7 -16.334  -7.093   6.600
   41   1HG2  ILE   7          HG21      ILE   7 -13.854  -7.188   9.369
   42   2HG2  ILE   7          HG23      ILE   7 -15.495  -6.549   9.478
   43   3HG2  ILE   7          HG22      ILE   7 -15.192  -8.062   8.622
   44   1HD1  ILE   7          HD13      ILE   7 -16.781  -5.717   8.759
   45   2HD1  ILE   7          HD12      ILE   7 -16.664  -4.308   7.703
   46   3HD1  ILE   7          HD11      ILE   7 -17.901  -5.532   7.409
   47    HA   PRO   8           HA       PRO   8 -10.301  -4.620   9.741
   48   1HB   PRO   8           HB2      PRO   8 -10.656  -5.179  12.412
   49   2HB   PRO   8           HB1      PRO   8 -10.905  -3.573  11.703
   50   1HG   PRO   8           HG2      PRO   8 -12.932  -5.546  12.632
   51   2HG   PRO   8           HG1      PRO   8 -13.065  -3.787  12.484
   52   1HD   PRO   8           HD2      PRO   8 -14.109  -5.714  10.678
   53   2HD   PRO   8           HD1      PRO   8 -14.013  -3.960  10.413
   54    H    GLY   9           HN       GLY   9  -8.681  -6.270  10.249
   55   1HA   GLY   9           HA2      GLY   9  -7.847  -8.456  10.273
   56   2HA   GLY   9           HA1      GLY   9  -9.166  -8.798  11.388
   57    H    MET  10           HN       MET  10 -10.121  -7.608   8.310
   58    HA   MET  10           HA       MET  10 -10.571 -10.364   7.279
   59   1HB   MET  10           HB2      MET  10 -12.702  -8.210   7.371
   60   2HB   MET  10           HB1      MET  10 -12.893  -9.852   6.754
   61   1HG   MET  10           HG2      MET  10 -11.831 -10.117   9.358
   62   2HG   MET  10           HG1      MET  10 -13.109  -8.907   9.473
   63   1HE   MET  10           HE1      MET  10 -13.626 -10.576  11.112
   64   2HE   MET  10           HE3      MET  10 -15.123 -11.478  10.839
   65   3HE   MET  10           HE2      MET  10 -13.568 -12.306  10.779
   66    H    ALA  11           HN       ALA  11  -9.341 -10.175   5.286
   67    HA   ALA  11           HA       ALA  11  -9.067  -9.445   3.053
   68   1HB   ALA  11           HB1      ALA  11 -11.446  -8.311   3.496
   69   2HB   ALA  11           HB3      ALA  11 -10.463  -6.849   3.561
   70   3HB   ALA  11           HB2      ALA  11 -10.457  -7.851   2.110
   71    H    ILE  12           HN       ILE  12  -9.170  -6.630   5.262
   72    HA   ILE  12           HA       ILE  12  -6.420  -5.948   4.375
   73    HB   ILE  12           HB       ILE  12  -8.152  -4.206   6.120
   74   1HG1  ILE  12          HG12      ILE  12  -8.205  -3.570   3.258
   75   2HG1  ILE  12          HG11      ILE  12  -9.009  -5.094   3.632
   76   1HG2  ILE  12          HG21      ILE  12  -5.945  -3.703   4.104
   77   2HG2  ILE  12          HG23      ILE  12  -6.847  -2.429   4.925
   78   3HG2  ILE  12          HG22      ILE  12  -5.833  -3.532   5.857
   79   1HD1  ILE  12          HD13      ILE  12 -10.114  -3.741   5.577
   80   2HD1  ILE  12          HD12      ILE  12  -9.647  -2.330   4.628
   81   3HD1  ILE  12          HD11      ILE  12 -10.731  -3.537   3.939
   82    HA   PRO  13           HA       PRO  13  -5.765  -7.753   8.487
   83   1HB   PRO  13           HB2      PRO  13  -3.175  -8.568   8.042
   84   2HB   PRO  13           HB1      PRO  13  -4.606  -9.510   7.594
   85   1HG   PRO  13           HG2      PRO  13  -2.723  -8.039   5.847
   86   2HG   PRO  13           HG1      PRO  13  -3.857  -9.333   5.428
   87   1HD   PRO  13           HD2      PRO  13  -4.169  -6.519   4.990
   88   2HD   PRO  13           HD1      PRO  13  -5.357  -7.797   4.630
   89    H    HIS  14           HN       HIS  14  -3.928  -7.426  10.136
   90    HA   HIS  14           HA       HIS  14  -3.494  -4.601  10.435
   91   1HB   HIS  14           HB2      HIS  14  -2.400  -6.969  12.000
   92   2HB   HIS  14           HB1      HIS  14  -2.451  -5.304  12.549
   93    HD1  HIS  14           HD1      HIS  14  -4.609  -4.467  13.579
   94    HD2  HIS  14           HD2      HIS  14  -5.083  -8.116  11.625
   95    HE1  HIS  14           HE1      HIS  14  -6.972  -5.245  14.075
   96    H    ASN  15           HN       ASN  15  -1.428  -3.488  10.372
   97    HA   ASN  15           HA       ASN  15   0.584  -2.994   9.287
   98   1HB   ASN  15           HB2      ASN  15   2.411  -4.672   9.886
   99   2HB   ASN  15           HB1      ASN  15   1.537  -3.962  11.241
  100   1HD2  ASN  15          HD22      ASN  15   1.300  -7.958  10.564
  101   2HD2  ASN  15          HD21      ASN  15   2.208  -6.946   9.548
  102    HA   PRO  16           HA       PRO  16  -0.178  -5.971   5.780
  103   1HB   PRO  16           HB2      PRO  16  -1.612  -4.261   4.185
  104   2HB   PRO  16           HB1      PRO  16  -2.364  -5.352   5.362
  105   1HG   PRO  16           HG2      PRO  16  -1.982  -2.398   5.518
  106   2HG   PRO  16           HG1      PRO  16  -3.207  -3.414   6.298
  107   1HD   PRO  16           HD2      PRO  16  -0.886  -2.353   7.543
  108   2HD   PRO  16           HD1      PRO  16  -1.960  -3.607   8.197
  109    H    LEU  17           HN       LEU  17   0.624  -5.636   3.513
  110    HA   LEU  17           HA       LEU  17   2.270  -4.890   2.027
  111   1HB   LEU  17           HB2      LEU  17   1.709  -2.135   3.123
  112   2HB   LEU  17           HB1      LEU  17   2.210  -2.579   1.492
  113    HG   LEU  17           HG       LEU  17  -0.459  -3.176   2.797
  114   1HD1  LEU  17          HD13      LEU  17   0.450  -1.403   0.521
  115   2HD1  LEU  17          HD12      LEU  17  -1.237  -1.861   0.749
  116   3HD1  LEU  17          HD11      LEU  17  -0.402  -0.926   1.989
  117   1HD2  LEU  17          HD22      LEU  17   0.878  -4.229   0.321
  118   2HD2  LEU  17          HD21      LEU  17  -0.122  -5.085   1.494
  119   3HD2  LEU  17          HD23      LEU  17  -0.870  -3.999   0.323
  120    H    ASP  18           HN       ASP  18   3.397  -5.820   4.424
  121    HA   ASP  18           HA       ASP  18   5.224  -3.876   5.558
  122   1HB   ASP  18           HB2      ASP  18   6.353  -5.809   6.566
  123   2HB   ASP  18           HB1      ASP  18   4.605  -5.987   6.730
  124    H    SER  19           HN       SER  19   5.517  -6.387   3.093
  125    HA   SER  19           HA       SER  19   8.269  -5.923   2.452
  126   1HB   SER  19           HB2      SER  19   6.335  -7.710   1.613
  127   2HB   SER  19           HB1      SER  19   6.541  -6.691   0.192
  128    HG   SER  19           HG       SER  19   8.011  -8.520   0.368
  129    H    CYS  20           HN       CYS  20   5.316  -4.274   1.704
  130    HA   CYS  20           HA       CYS  20   6.248  -2.799  -0.585
  131   1HB   CYS  20           HB2      CYS  20   4.068  -2.163   1.414
  132   2HB   CYS  20           HB1      CYS  20   4.302  -1.345  -0.131
  133    H    ARG  21           HN       ARG  21   6.087  -2.057   2.905
  134    HA   ARG  21           HA       ARG  21   7.160   0.574   2.662
  135   1HB   ARG  21           HB2      ARG  21   6.344   0.447   4.766
  136   2HB   ARG  21           HB1      ARG  21   6.560  -1.294   4.858
  137   1HG   ARG  21           HG2      ARG  21   8.708  -1.111   5.725
  138   2HG   ARG  21           HG1      ARG  21   8.999   0.449   4.956
  139   1HD   ARG  21           HD2      ARG  21   7.321   1.467   6.524
  140   2HD   ARG  21           HD1      ARG  21   7.225  -0.086   7.356
  141    HE   ARG  21           HE       ARG  21   9.725   0.213   7.793
  142   1HH1  ARG  21          HH21      ARG  21   9.783   2.776   6.097
  143   2HH1  ARG  21          HH22      ARG  21   9.817   3.983   7.340
  144   1HH2  ARG  21          HH11      ARG  21   8.830   1.804   9.850
  145   2HH2  ARG  21          HH12      ARG  21   9.277   3.432   9.464
  146    H    TRP  22           HN       TRP  22   8.812  -2.556   3.393
  147    HA   TRP  22           HA       TRP  22  11.405  -1.295   3.431
  148   1HB   TRP  22           HB2      TRP  22  10.573  -4.175   3.263
  149   2HB   TRP  22           HB1      TRP  22  12.249  -3.697   3.030
  150    HD1  TRP  22           HD1      TRP  22  10.158  -4.760   5.699
  151    HE1  TRP  22           HE1      TRP  22  10.984  -3.865   7.990
  152    HE3  TRP  22           HE3      TRP  22  13.299  -1.254   4.046
  153    HZ2  TRP  22           HZ2      TRP  22  12.814  -1.831   8.950
  154    HZ3  TRP  22           HZ3      TRP  22  14.610   0.195   5.611
  155    HH2  TRP  22           HH2      TRP  22  14.365  -0.104   8.065
  156    H    TYR  23           HN       TYR  23   9.346  -2.514   0.924
  157    HA   TYR  23           HA       TYR  23  11.367  -2.784  -1.106
  158   1HB   TYR  23           HB2      TYR  23   9.068  -3.757  -1.268
  159   2HB   TYR  23           HB1      TYR  23   8.430  -2.130  -1.498
  160    HD1  TYR  23           HD2      TYR  23  11.723  -2.509  -2.882
  161    HD2  TYR  23           HD1      TYR  23   7.565  -3.245  -3.687
  162    HE1  TYR  23           HE2      TYR  23  12.218  -2.663  -5.302
  163    HE2  TYR  23           HE1      TYR  23   8.065  -3.398  -6.108
  164    HH   TYR  23           HH       TYR  23  10.725  -2.258  -7.512
  165    H    VAL  24           HN       VAL  24   9.537  -0.061   0.194
  166    HA   VAL  24           HA       VAL  24  10.341   1.741  -1.961
  167    HB   VAL  24           HB       VAL  24   9.449   2.432   0.849
  168   1HG1  VAL  24          HG13      VAL  24  10.329   3.979  -1.483
  169   2HG1  VAL  24          HG12      VAL  24   8.766   4.498  -0.850
  170   3HG1  VAL  24          HG11      VAL  24  10.180   4.475   0.204
  171   1HG2  VAL  24          HG21      VAL  24   7.958   1.918  -1.723
  172   2HG2  VAL  24          HG23      VAL  24   7.603   1.309  -0.106
  173   3HG2  VAL  24          HG22      VAL  24   7.288   2.999  -0.500
  174    H    SER  25           HN       SER  25  11.466   1.007   1.346
  175    HA   SER  25           HA       SER  25  13.514   2.948   1.483
  176   1HB   SER  25           HB2      SER  25  14.415   1.724   3.255
  177   2HB   SER  25           HB1      SER  25  12.727   1.214   3.260
  178    HG   SER  25           HG       SER  25  14.736  -0.355   3.144
  179    H    THR  26           HN       THR  26  13.588  -0.314   0.041
  180    HA   THR  26           HA       THR  26  16.396  -0.110  -0.712
  181    HB   THR  26           HB       THR  26  14.188  -2.077  -1.310
  182    HG1  THR  26           HG1      THR  26  15.159  -3.161   0.205
  183   1HG2  THR  26          HG22      THR  26  16.874  -1.791  -2.613
  184   2HG2  THR  26          HG21      THR  26  16.239  -3.407  -2.304
  185   3HG2  THR  26          HG23      THR  26  15.337  -2.285  -3.323
  186    H    ARG  27           HN       ARG  27  13.400  -0.169  -2.674
  187    HA   ARG  27           HA       ARG  27  14.653   0.341  -5.155
  188   1HB   ARG  27           HB2      ARG  27  12.336  -0.371  -5.062
  189   2HB   ARG  27           HB1      ARG  27  11.882   1.093  -4.190
  190   1HG   ARG  27           HG2      ARG  27  12.275   2.474  -6.076
  191   2HG   ARG  27           HG1      ARG  27  13.181   1.213  -6.912
  192   1HD   ARG  27           HD2      ARG  27  10.484   0.343  -6.208
  193   2HD   ARG  27           HD1      ARG  27  10.475   1.769  -7.247
  194    HE   ARG  27           HE       ARG  27  12.188  -0.510  -8.066
  195   1HH1  ARG  27          HH11      ARG  27   9.111   1.001  -8.244
  196   2HH1  ARG  27          HH12      ARG  27   8.870   0.632  -9.918
  197   1HH2  ARG  27          HH21      ARG  27  11.991  -0.827 -10.319
  198   2HH2  ARG  27          HH22      ARG  27  10.499  -0.404 -11.092
  199    H    THR  28           HN       THR  28  13.933   2.514  -2.524
  200    HA   THR  28           HA       THR  28  14.374   4.876  -4.247
  201    HB   THR  28           HB       THR  28  13.709   6.176  -2.262
  202    HG1  THR  28           HG1      THR  28  13.682   5.305  -0.354
  203   1HG2  THR  28          HG23      THR  28  11.984   5.184  -3.755
  204   2HG2  THR  28          HG22      THR  28  11.908   3.782  -2.687
  205   3HG2  THR  28          HG21      THR  28  11.422   5.371  -2.095
  206    H    CYS  29           HN       CYS  29  15.692   3.956  -1.019
  207    HA   CYS  29           HA       CYS  29  18.179   5.405  -1.753
  208   1HB   CYS  29           HB2      CYS  29  17.630   4.196   0.945
  209   2HB   CYS  29           HB1      CYS  29  18.607   5.608   0.542
  210    H    GLY  30           HN       GLY  30  17.250   2.520  -2.479
  211   1HA   GLY  30           HA2      GLY  30  18.299   0.420  -2.728
  212   2HA   GLY  30           HA1      GLY  30  19.814   1.314  -2.589
  213    H    VAL  31           HN       VAL  31  17.619   1.641   0.049
  214    HA   VAL  31           HA       VAL  31  19.443  -0.012   1.731
  215    HB   VAL  31           HB       VAL  31  17.505   2.225   2.351
  216   1HG1  VAL  31          HG12      VAL  31  18.957   0.409   4.300
  217   2HG1  VAL  31          HG11      VAL  31  18.083   1.876   4.739
  218   3HG1  VAL  31          HG13      VAL  31  17.210   0.496   4.071
  219   1HG2  VAL  31          HG23      VAL  31  20.110   2.324   1.634
  220   2HG2  VAL  31          HG22      VAL  31  19.385   3.480   2.752
  221   3HG2  VAL  31          HG21      VAL  31  20.295   2.104   3.374
  222    H    GLY  32           HN       GLY  32  18.453  -1.448   3.355
  223   1HA   GLY  32           HA2      GLY  32  16.124  -2.282   4.112
  224   2HA   GLY  32           HA1      GLY  32  15.861  -2.501   2.376
  225    HA   PRO  33           HA       PRO  33  18.073  -6.266   4.236
  226   1HB   PRO  33           HB2      PRO  33  16.152  -8.166   3.639
  227   2HB   PRO  33           HB1      PRO  33  16.295  -7.350   5.207
  228   1HG   PRO  33           HG2      PRO  33  14.360  -6.831   2.977
  229   2HG   PRO  33           HG1      PRO  33  14.120  -6.694   4.728
  230   1HD   PRO  33           HD2      PRO  33  14.519  -4.532   3.076
  231   2HD   PRO  33           HD1      PRO  33  14.924  -4.545   4.807
  232    H    ARG  34           HN       ARG  34  18.655  -8.299   2.831
  233    HA   ARG  34           HA       ARG  34  18.984  -7.319   0.064
  234   1HB   ARG  34           HB2      ARG  34  20.129  -9.919   1.002
  235   2HB   ARG  34           HB1      ARG  34  20.829  -8.711  -0.074
  236   1HG   ARG  34           HG2      ARG  34  20.877  -7.172   2.006
  237   2HG   ARG  34           HG1      ARG  34  20.635  -8.652   2.935
  238   1HD   ARG  34           HD2      ARG  34  22.699  -9.027   0.933
  239   2HD   ARG  34           HD1      ARG  34  23.081  -7.657   1.976
  240    HE   ARG  34           HE       ARG  34  22.935  -9.191   3.907
  241   1HH1  ARG  34          HH21      ARG  34  21.483 -11.087   1.714
  242   2HH1  ARG  34          HH22      ARG  34  22.579 -12.425   1.801
  243   1HH2  ARG  34          HH11      ARG  34  24.970 -10.689   3.615
  244   2HH2  ARG  34          HH12      ARG  34  24.556 -12.201   2.879
  245    H    LEU  35           HN       LEU  35  16.565  -7.746  -0.214
  246    HA   LEU  35           HA       LEU  35  16.082 -10.612  -0.913
  247   1HB   LEU  35           HB2      LEU  35  14.436  -8.550   0.335
  248   2HB   LEU  35           HB1      LEU  35  13.651  -9.234  -1.089
  249    HG   LEU  35           HG       LEU  35  13.202 -10.448   1.110
  250   1HD1  LEU  35          HD11      LEU  35  13.965 -11.510  -1.502
  251   2HD1  LEU  35          HD13      LEU  35  14.195 -12.689  -0.211
  252   3HD1  LEU  35          HD12      LEU  35  12.612 -11.957  -0.464
  253   1HD2  LEU  35          HD23      LEU  35  16.031 -10.347   1.220
  254   2HD2  LEU  35          HD22      LEU  35  14.945 -11.155   2.351
  255   3HD2  LEU  35          HD21      LEU  35  15.606 -12.041   0.976
  256    H    ALA  36           HN       ALA  36  16.143 -11.020  -3.081
  257    HA   ALA  36           HA       ALA  36  16.764  -9.274  -5.096
  258   1HB   ALA  36           HB2      ALA  36  15.192 -11.809  -5.041
  259   2HB   ALA  36           HB1      ALA  36  15.178 -10.876  -6.537
  260   3HB   ALA  36           HB3      ALA  36  16.706 -11.443  -5.865
  261    H    THR  37           HN       THR  37  15.717  -7.498  -6.061
  262    HA   THR  37           HA       THR  37  13.393  -6.350  -5.045
  263    HB   THR  37           HB       THR  37  14.260  -6.104  -7.931
  264    HG1  THR  37           HG1      THR  37  15.977  -5.125  -7.250
  265   1HG2  THR  37          HG22      THR  37  12.124  -4.991  -6.766
  266   2HG2  THR  37          HG21      THR  37  13.342  -3.835  -6.228
  267   3HG2  THR  37          HG23      THR  37  13.096  -4.118  -7.951
  268    H    GLN  38           HN       GLN  38  13.611  -8.681  -7.740
  269    HA   GLN  38           HA       GLN  38  10.898  -8.437  -8.578
  270   1HB   GLN  38           HB2      GLN  38  12.811  -9.716  -9.726
  271   2HB   GLN  38           HB1      GLN  38  12.442 -11.036  -8.615
  272   1HG   GLN  38           HG2      GLN  38   9.946 -10.485  -9.491
  273   2HG   GLN  38           HG1      GLN  38  10.868 -10.003 -10.915
  274   1HE2  GLN  38          HE22      GLN  38  12.284 -13.401 -11.238
  275   2HE2  GLN  38          HE21      GLN  38  12.871 -11.808 -11.168
  276    H    GLU  39           HN       GLU  39  12.351 -10.376  -6.001
  277    HA   GLU  39           HA       GLU  39   9.919 -11.825  -5.397
  278   1HB   GLU  39           HB2      GLU  39  12.519 -11.367  -3.935
  279   2HB   GLU  39           HB1      GLU  39  11.176 -12.214  -3.165
  280   1HG   GLU  39           HG2      GLU  39  11.322 -13.404  -5.667
  281   2HG   GLU  39           HG1      GLU  39  13.015 -13.149  -5.242
  282    H    MET  40           HN       MET  40  11.248  -8.726  -4.509
  283    HA   MET  40           HA       MET  40   9.577  -8.289  -2.187
  284   1HB   MET  40           HB2      MET  40  11.761  -7.074  -2.996
  285   2HB   MET  40           HB1      MET  40  10.649  -6.093  -3.940
  286   1HG   MET  40           HG2      MET  40  10.126  -4.897  -2.130
  287   2HG   MET  40           HG1      MET  40   9.598  -6.352  -1.289
  288   1HE   MET  40           HE1      MET  40  10.221  -6.939   0.560
  289   2HE   MET  40           HE3      MET  40  11.649  -7.945   0.273
  290   3HE   MET  40           HE2      MET  40  11.698  -6.660   1.477
  291    H    LYS  41           HN       LYS  41   9.522  -6.836  -5.443
  292    HA   LYS  41           HA       LYS  41   6.964  -5.647  -5.269
  293   1HB   LYS  41           HB2      LYS  41   8.625  -5.293  -7.126
  294   2HB   LYS  41           HB1      LYS  41   8.188  -6.880  -7.759
  295   1HG   LYS  41           HG2      LYS  41   5.724  -5.689  -7.390
  296   2HG   LYS  41           HG1      LYS  41   6.727  -4.340  -7.925
  297   1HD   LYS  41           HD2      LYS  41   7.510  -6.385  -9.613
  298   2HD   LYS  41           HD1      LYS  41   5.779  -6.669  -9.433
  299   1HE   LYS  41           HE2      LYS  41   5.897  -5.154 -11.238
  300   2HE   LYS  41           HE1      LYS  41   5.532  -4.120  -9.857
  301   1HZ   LYS  41           HZ3      LYS  41   8.253  -4.299  -9.864
  302   2HZ   LYS  41           HZ2      LYS  41   7.860  -4.181 -11.512
  303   3HZ   LYS  41           HZ1      LYS  41   7.339  -2.984 -10.426
  304    H    ALA  42           HN       ALA  42   7.903  -8.962  -6.078
  305    HA   ALA  42           HA       ALA  42   5.324  -9.859  -6.934
  306   1HB   ALA  42           HB3      ALA  42   7.749 -11.245  -5.804
  307   2HB   ALA  42           HB2      ALA  42   6.262 -12.142  -6.113
  308   3HB   ALA  42           HB1      ALA  42   7.092 -11.327  -7.439
  309    H    ARG  43           HN       ARG  43   6.901  -9.815  -3.740
  310    HA   ARG  43           HA       ARG  43   4.829 -11.126  -2.298
  311   1HB   ARG  43           HB2      ARG  43   7.218  -9.605  -1.685
  312   2HB   ARG  43           HB1      ARG  43   5.912  -9.176  -0.581
  313   1HG   ARG  43           HG2      ARG  43   5.985 -12.044  -1.028
  314   2HG   ARG  43           HG1      ARG  43   7.541 -11.458  -0.438
  315   1HD   ARG  43           HD2      ARG  43   6.279 -10.211   1.367
  316   2HD   ARG  43           HD1      ARG  43   4.829 -11.073   0.851
  317    HE   ARG  43           HE       ARG  43   6.618 -12.167   2.647
  318   1HH1  ARG  43          HH11      ARG  43   7.913 -13.220   0.077
  319   2HH1  ARG  43          HH12      ARG  43   7.162 -14.776  -0.053
  320   1HH2  ARG  43          HH21      ARG  43   4.642 -14.043   2.213
  321   2HH2  ARG  43          HH22      ARG  43   5.312 -15.242   1.159
  322    H    CYS  44           HN       CYS  44   5.400  -7.608  -2.733
  323    HA   CYS  44           HA       CYS  44   3.088  -6.729  -1.373
  324   1HB   CYS  44           HB2      CYS  44   4.717  -5.540  -3.594
  325   2HB   CYS  44           HB1      CYS  44   3.225  -4.757  -3.061
  326    H    CYS  45           HN       CYS  45   3.426  -7.857  -4.752
  327    HA   CYS  45           HA       CYS  45   0.742  -7.054  -5.496
  328   1HB   CYS  45           HB2      CYS  45   2.741  -8.965  -6.698
  329   2HB   CYS  45           HB1      CYS  45   1.109  -8.823  -7.342
  330    H    ARG  46           HN       ARG  46   2.126  -9.903  -3.958
  331    HA   ARG  46           HA       ARG  46  -0.222 -11.555  -4.288
  332   1HB   ARG  46           HB2      ARG  46   2.207 -12.199  -3.504
  333   2HB   ARG  46           HB1      ARG  46   1.599 -11.804  -1.904
  334   1HG   ARG  46           HG2      ARG  46  -0.434 -13.335  -3.065
  335   2HG   ARG  46           HG1      ARG  46   1.061 -14.152  -3.520
  336   1HD   ARG  46           HD2      ARG  46   1.619 -14.644  -1.338
  337   2HD   ARG  46           HD1      ARG  46   0.801 -13.219  -0.695
  338    HE   ARG  46           HE       ARG  46  -1.113 -14.556  -0.426
  339   1HH1  ARG  46          HH11      ARG  46  -0.947 -15.113  -3.511
  340   2HH1  ARG  46          HH12      ARG  46  -1.057 -16.842  -3.495
  341   1HH2  ARG  46          HH21      ARG  46  -0.426 -17.117  -0.097
  342   2HH2  ARG  46          HH22      ARG  46  -0.761 -17.978  -1.562
  343    H    GLN  47           HN       GLN  47   0.860  -9.143  -1.960
  344    HA   GLN  47           HA       GLN  47  -1.395  -9.600  -0.143
  345   1HB   GLN  47           HB2      GLN  47   0.260  -7.079  -0.263
  346   2HB   GLN  47           HB1      GLN  47  -0.504  -7.827   1.140
  347   1HG   GLN  47           HG2      GLN  47   1.233  -9.777   0.051
  348   2HG   GLN  47           HG1      GLN  47   2.143  -8.266   0.083
  349   1HE2  GLN  47          HE22      GLN  47   2.794  -8.837   3.499
  350   2HE2  GLN  47          HE21      GLN  47   3.426  -8.528   1.955
  351    H    LEU  48           HN       LEU  48  -0.731  -7.634  -2.941
  352    HA   LEU  48           HA       LEU  48  -2.858  -5.731  -2.598
  353   1HB   LEU  48           HB2      LEU  48  -0.772  -5.651  -4.171
  354   2HB   LEU  48           HB1      LEU  48  -1.768  -6.589  -5.280
  355    HG   LEU  48           HG       LEU  48  -1.874  -4.095  -5.639
  356   1HD1  LEU  48          HD11      LEU  48  -3.831  -5.993  -5.850
  357   2HD1  LEU  48          HD13      LEU  48  -4.626  -4.785  -4.839
  358   3HD1  LEU  48          HD12      LEU  48  -3.991  -4.332  -6.421
  359   1HD2  LEU  48          HD22      LEU  48  -2.119  -4.035  -2.877
  360   2HD2  LEU  48          HD21      LEU  48  -2.435  -2.681  -3.963
  361   3HD2  LEU  48          HD23      LEU  48  -3.762  -3.713  -3.431
  362    H    GLU  49           HN       GLU  49  -2.593  -8.882  -4.224
  363    HA   GLU  49           HA       GLU  49  -5.340  -8.746  -5.225
  364   1HB   GLU  49           HB2      GLU  49  -3.251 -10.203  -6.046
  365   2HB   GLU  49           HB1      GLU  49  -3.910 -11.358  -4.886
  366   1HG   GLU  49           HG2      GLU  49  -6.196 -10.704  -6.102
  367   2HG   GLU  49           HG1      GLU  49  -5.094 -10.346  -7.433
  368    H    ALA  50           HN       ALA  50  -3.631 -10.464  -2.599
  369    HA   ALA  50           HA       ALA  50  -5.740 -11.887  -1.441
  370   1HB   ALA  50           HB1      ALA  50  -3.190 -11.235  -0.636
  371   2HB   ALA  50           HB3      ALA  50  -4.168 -10.335   0.522
  372   3HB   ALA  50           HB2      ALA  50  -4.363 -12.081   0.373
  373    H    ILE  51           HN       ILE  51  -4.926  -8.471  -1.132
  374    HA   ILE  51           HA       ILE  51  -7.239  -7.792   0.493
  375    HB   ILE  51           HB       ILE  51  -5.467  -6.007  -1.209
  376   1HG1  ILE  51          HG12      ILE  51  -5.278  -6.408   1.778
  377   2HG1  ILE  51          HG11      ILE  51  -4.404  -7.461   0.667
  378   1HG2  ILE  51          HG22      ILE  51  -7.867  -5.364  -0.122
  379   2HG2  ILE  51          HG21      ILE  51  -6.815  -5.045   1.257
  380   3HG2  ILE  51          HG23      ILE  51  -6.540  -4.214  -0.272
  381   1HD1  ILE  51          HD12      ILE  51  -4.215  -4.463   0.421
  382   2HD1  ILE  51          HD11      ILE  51  -3.184  -5.347   1.548
  383   3HD1  ILE  51          HD13      ILE  51  -3.098  -5.690  -0.180
  384    HA   PRO  52           HA       PRO  52  -9.730  -8.365  -3.190
  385   1HB   PRO  52           HB2      PRO  52 -12.135  -7.815  -1.939
  386   2HB   PRO  52           HB1      PRO  52 -11.343  -9.401  -1.950
  387   1HG   PRO  52           HG2      PRO  52 -11.408  -7.341   0.232
  388   2HG   PRO  52           HG1      PRO  52 -11.394  -9.110   0.359
  389   1HD   PRO  52           HD2      PRO  52  -9.152  -7.550   0.777
  390   2HD   PRO  52           HD1      PRO  52  -9.081  -9.234   0.212
  391    H    ALA  53           HN       ALA  53 -10.757  -6.982  -4.635
  392    HA   ALA  53           HA       ALA  53  -9.960  -4.440  -5.041
  393   1HB   ALA  53           HB2      ALA  53 -12.006  -6.038  -6.049
  394   2HB   ALA  53           HB1      ALA  53 -12.784  -4.515  -5.613
  395   3HB   ALA  53           HB3      ALA  53 -11.415  -4.520  -6.726
  396    H    TYR  54           HN       TYR  54 -12.361  -5.336  -2.651
  397    HA   TYR  54           HA       TYR  54 -13.140  -2.566  -2.149
  398   1HB   TYR  54           HB2      TYR  54 -13.856  -5.243  -1.121
  399   2HB   TYR  54           HB1      TYR  54 -13.944  -3.945   0.070
  400    HD1  TYR  54           HD1      TYR  54 -14.446  -3.508  -3.577
  401    HD2  TYR  54           HD2      TYR  54 -16.333  -3.807   0.269
  402    HE1  TYR  54           HE1      TYR  54 -16.586  -2.741  -4.568
  403    HE2  TYR  54           HE2      TYR  54 -18.473  -3.039  -0.720
  404    HH   TYR  54           HH       TYR  54 -19.340  -3.187  -3.563
  405    H    CYS  55           HN       CYS  55 -12.027  -1.163  -0.893
  406    HA   CYS  55           HA       CYS  55 -10.768  -0.386   0.945
  407   1HB   CYS  55           HB2      CYS  55 -10.094  -3.235   1.661
  408   2HB   CYS  55           HB1      CYS  55 -10.168  -1.822   2.713
  409    H    ARG  56           HN       ARG  56  -9.621  -2.078  -1.711
  410    HA   ARG  56           HA       ARG  56  -6.939  -2.657  -1.193
  411   1HB   ARG  56           HB2      ARG  56  -8.479  -1.953  -3.548
  412   2HB   ARG  56           HB1      ARG  56  -6.865  -1.246  -3.632
  413   1HG   ARG  56           HG2      ARG  56  -6.280  -3.309  -4.410
  414   2HG   ARG  56           HG1      ARG  56  -6.259  -3.726  -2.699
  415   1HD   ARG  56           HD2      ARG  56  -8.093  -5.025  -2.877
  416   2HD   ARG  56           HD1      ARG  56  -8.936  -3.829  -3.847
  417    HE   ARG  56           HE       ARG  56  -7.482  -6.138  -4.869
  418   1HH1  ARG  56          HH11      ARG  56  -6.273  -3.629  -6.174
  419   2HH1  ARG  56          HH12      ARG  56  -7.249  -3.513  -7.597
  420   1HH2  ARG  56          HH21      ARG  56  -9.661  -5.722  -6.456
  421   2HH2  ARG  56          HH22      ARG  56  -9.172  -4.686  -7.749
  422    H    CYS  57           HN       CYS  57  -7.340   0.369  -2.980
  423    HA   CYS  57           HA       CYS  57  -5.153   1.748  -2.180
  424   1HB   CYS  57           HB2      CYS  57  -7.970   2.772  -2.511
  425   2HB   CYS  57           HB1      CYS  57  -6.620   3.867  -2.199
  426    H    GLU  58           HN       GLU  58  -8.156   1.998  -0.156
  427    HA   GLU  58           HA       GLU  58  -7.422   3.550   1.908
  428   1HB   GLU  58           HB2      GLU  58  -9.463   2.059   1.794
  429   2HB   GLU  58           HB1      GLU  58  -8.460   0.763   2.449
  430   1HG   GLU  58           HG2      GLU  58  -8.087   1.933   4.483
  431   2HG   GLU  58           HG1      GLU  58  -8.678   3.451   3.807
  432    H    ALA  59           HN       ALA  59  -6.312   0.132   1.761
  433    HA   ALA  59           HA       ALA  59  -4.829  -0.165   4.014
  434   1HB   ALA  59           HB3      ALA  59  -4.546  -1.112   1.276
  435   2HB   ALA  59           HB2      ALA  59  -2.992  -1.004   2.103
  436   3HB   ALA  59           HB1      ALA  59  -4.292  -1.979   2.789
  437    H    VAL  60           HN       VAL  60  -3.490   1.467   1.149
  438    HA   VAL  60           HA       VAL  60  -1.057   2.297   2.305
  439    HB   VAL  60           HB       VAL  60  -2.720   3.852   0.300
  440   1HG1  VAL  60          HG13      VAL  60  -0.722   4.985   1.413
  441   2HG1  VAL  60          HG12      VAL  60   0.287   3.765   0.637
  442   3HG1  VAL  60          HG11      VAL  60  -0.657   4.884  -0.346
  443   1HG2  VAL  60          HG22      VAL  60  -1.697   1.249   0.090
  444   2HG2  VAL  60          HG21      VAL  60  -2.216   2.280  -1.243
  445   3HG2  VAL  60          HG23      VAL  60  -0.521   2.260  -0.749
  446    H    ARG  61           HN       ARG  61  -4.188   4.027   2.220
  447    HA   ARG  61           HA       ARG  61  -3.362   6.331   3.660
  448   1HB   ARG  61           HB2      ARG  61  -5.900   5.050   2.953
  449   2HB   ARG  61           HB1      ARG  61  -5.970   5.893   4.501
  450   1HG   ARG  61           HG2      ARG  61  -4.596   7.337   2.301
  451   2HG   ARG  61           HG1      ARG  61  -6.340   7.140   2.124
  452   1HD   ARG  61           HD2      ARG  61  -6.067   7.859   4.786
  453   2HD   ARG  61           HD1      ARG  61  -4.838   8.837   3.984
  454    HE   ARG  61           HE       ARG  61  -7.385   8.925   2.588
  455   1HH1  ARG  61          HH21      ARG  61  -5.161  11.036   3.416
  456   2HH1  ARG  61          HH22      ARG  61  -6.161  12.150   4.287
  457   1HH2  ARG  61          HH11      ARG  61  -8.857   9.980   4.495
  458   2HH2  ARG  61          HH12      ARG  61  -8.252  11.553   4.896
  459    H    ILE  62           HN       ILE  62  -4.069   3.093   4.740
  460    HA   ILE  62           HA       ILE  62  -4.293   3.784   7.571
  461    HB   ILE  62           HB       ILE  62  -4.063   1.220   5.991
  462   1HG1  ILE  62          HG12      ILE  62  -6.278   2.122   6.058
  463   2HG1  ILE  62          HG11      ILE  62  -6.254   0.805   7.228
  464   1HG2  ILE  62          HG23      ILE  62  -3.595   1.633   8.916
  465   2HG2  ILE  62          HG22      ILE  62  -4.489   0.201   8.406
  466   3HG2  ILE  62          HG21      ILE  62  -2.851   0.477   7.813
  467   1HD1  ILE  62          HD12      ILE  62  -5.451   2.969   8.748
  468   2HD1  ILE  62          HD11      ILE  62  -6.643   3.681   7.661
  469   3HD1  ILE  62          HD13      ILE  62  -7.090   2.320   8.689
  470    H    LEU  63           HN       LEU  63  -1.683   2.852   5.390
  471    HA   LEU  63           HA       LEU  63   0.152   2.360   7.600
  472   1HB   LEU  63           HB2      LEU  63   0.358   1.359   5.255
  473   2HB   LEU  63           HB1      LEU  63   0.921   2.947   4.731
  474    HG   LEU  63           HG       LEU  63   2.201   1.682   7.128
  475   1HD1  LEU  63          HD11      LEU  63   2.168   0.528   4.467
  476   2HD1  LEU  63          HD13      LEU  63   3.802   1.028   4.906
  477   3HD1  LEU  63          HD12      LEU  63   2.916  -0.095   5.937
  478   1HD2  LEU  63          HD23      LEU  63   2.607   3.949   5.401
  479   2HD2  LEU  63          HD22      LEU  63   3.486   3.515   6.867
  480   3HD2  LEU  63          HD21      LEU  63   4.017   2.893   5.305
  481    H    MET  64           HN       MET  64  -0.503   5.050   5.390
  482    HA   MET  64           HA       MET  64   1.611   6.699   6.523
  483   1HB   MET  64           HB2      MET  64   0.861   7.031   4.212
  484   2HB   MET  64           HB1      MET  64  -0.779   7.373   4.762
  485   1HG   MET  64           HG2      MET  64   0.472   9.459   4.279
  486   2HG   MET  64           HG1      MET  64   0.014   9.350   5.978
  487   1HE   MET  64           HE2      MET  64   1.259  11.026   6.481
  488   2HE   MET  64           HE1      MET  64   2.305  10.327   7.715
  489   3HE   MET  64           HE3      MET  64   3.002  11.263   6.385
  490    H    ASP  65           HN       ASP  65  -1.981   6.836   6.656
  491    HA   ASP  65           HA       ASP  65  -1.851   8.823   8.803
  492   1HB   ASP  65           HB2      ASP  65  -4.174   7.502   7.362
  493   2HB   ASP  65           HB1      ASP  65  -4.424   8.375   8.874
  494    H    GLY  66           HN       GLY  66  -1.976   5.360   8.639
  495   1HA   GLY  66           HA2      GLY  66  -1.572   3.933  10.499
  496   2HA   GLY  66           HA1      GLY  66  -1.913   5.285  11.579
  497    H    VAL  67           HN       VAL  67  -2.991   2.503  11.508
  498    HA   VAL  67           HA       VAL  67  -5.904   3.144  11.257
  499    HB   VAL  67           HB       VAL  67  -5.318   1.385   9.704
  500   1HG1  VAL  67          HG12      VAL  67  -3.209   0.744  11.013
  501   2HG1  VAL  67          HG11      VAL  67  -4.266  -0.234  12.030
  502   3HG1  VAL  67          HG13      VAL  67  -4.121  -0.590  10.309
  503   1HG2  VAL  67          HG21      VAL  67  -7.433   1.177  11.028
  504   2HG2  VAL  67          HG23      VAL  67  -6.794  -0.373  10.483
  505   3HG2  VAL  67          HG22      VAL  67  -6.572   0.131  12.158
  506    H    VAL  68           HN       VAL  68  -7.292   2.067  12.888
  507    HA   VAL  68           HA       VAL  68  -5.805   1.726  15.450
  508    HB   VAL  68           HB       VAL  68  -8.478   2.964  14.824
  509   1HG1  VAL  68          HG12      VAL  68  -7.541   1.885  17.504
  510   2HG1  VAL  68          HG11      VAL  68  -8.902   2.985  17.298
  511   3HG1  VAL  68          HG13      VAL  68  -8.964   1.365  16.604
  512   1HG2  VAL  68          HG23      VAL  68  -5.845   3.765  15.873
  513   2HG2  VAL  68          HG22      VAL  68  -7.084   4.740  15.081
  514   3HG2  VAL  68          HG21      VAL  68  -7.203   4.391  16.806
  515    H    THR  69           HN       THR  69  -6.734   0.216  16.975
  516    HA   THR  69           HA       THR  69  -8.121  -2.056  15.634
  517    HB   THR  69           HB       THR  69  -6.915  -3.512  17.243
  518    HG1  THR  69           HG1      THR  69  -5.644  -2.666  18.726
  519   1HG2  THR  69          HG22      THR  69  -5.996  -2.599  14.935
  520   2HG2  THR  69          HG21      THR  69  -4.808  -1.809  15.972
  521   3HG2  THR  69          HG23      THR  69  -4.965  -3.565  15.992
  522    H    SER  70           HN       SER  70  -9.503  -3.329  17.027
  523    HA   SER  70           HA       SER  70 -11.296  -1.733  18.573
  524   1HB   SER  70           HB2      SER  70 -11.994  -3.786  17.383
  525   2HB   SER  70           HB1      SER  70 -11.015  -4.747  18.486
  526    HG   SER  70           HG       SER  70 -13.204  -4.643  19.142
  527    H    SER  71           HN       SER  71  -8.494  -3.573  19.408
  528    HA   SER  71           HA       SER  71  -9.060  -3.796  22.240
  529   1HB   SER  71           HB2      SER  71  -6.474  -4.087  22.311
  530   2HB   SER  71           HB1      SER  71  -7.428  -5.315  21.484
  531    HG   SER  71           HG       SER  71  -5.466  -4.037  20.466
  532    H    GLY  72           HN       GLY  72  -8.131  -1.218  20.214
  533   1HA   GLY  72           HA2      GLY  72  -8.109   1.074  21.068
  534   2HA   GLY  72           HA1      GLY  72  -7.562   0.435  22.623
  535    H    GLN  73           HN       GLN  73  -5.955  -1.165  20.105
  536    HA   GLN  73           HA       GLN  73  -3.541   0.512  20.628
  537   1HB   GLN  73           HB2      GLN  73  -3.960  -2.335  19.728
  538   2HB   GLN  73           HB1      GLN  73  -2.415  -1.527  19.465
  539   1HG   GLN  73           HG2      GLN  73  -1.838  -1.784  21.626
  540   2HG   GLN  73           HG1      GLN  73  -3.351  -1.055  22.164
  541   1HE2  GLN  73          HE22      GLN  73  -3.100  -5.145  21.862
  542   2HE2  GLN  73          HE21      GLN  73  -1.971  -4.179  21.043
  543    H    HIS  74           HN       HIS  74  -2.175   1.103  18.767
  544    HA   HIS  74           HA       HIS  74  -3.774   1.309  16.255
  545   1HB   HIS  74           HB2      HIS  74  -1.685   3.128  17.466
  546   2HB   HIS  74           HB1      HIS  74  -2.256   3.290  15.819
  547    HD1  HIS  74           HD1      HIS  74  -3.477   5.521  16.180
  548    HD2  HIS  74           HD2      HIS  74  -4.779   2.508  18.749
  549    HE1  HIS  74           HE1      HIS  74  -5.567   6.396  17.312
  550    H    GLU  75           HN       GLU  75  -2.540   1.110  14.265
  551    HA   GLU  75           HA       GLU  75   0.161  -0.083  14.572
  552   1HB   GLU  75           HB2      GLU  75  -1.828  -1.358  12.713
  553   2HB   GLU  75           HB1      GLU  75  -0.342  -2.032  13.387
  554   1HG   GLU  75           HG2      GLU  75  -2.777  -1.327  15.042
  555   2HG   GLU  75           HG1      GLU  75  -2.418  -2.951  14.455
  556    H    GLY  76           HN       GLY  76   0.756  -0.692  12.025
  557   1HA   GLY  76           HA2      GLY  76   1.542   0.354  10.071
  558   2HA   GLY  76           HA1      GLY  76  -0.068   1.079   9.983
  559    H    ARG  77           HN       ARG  77   0.680   3.157   9.369
  560    HA   ARG  77           HA       ARG  77   1.572   5.316   9.739
  561   1HB   ARG  77           HB2      ARG  77  -0.040   4.823  11.764
  562   2HB   ARG  77           HB1      ARG  77   1.463   4.760  12.684
  563   1HG   ARG  77           HG2      ARG  77   2.057   7.006  11.657
  564   2HG   ARG  77           HG1      ARG  77   0.404   7.072  11.045
  565   1HD   ARG  77           HD2      ARG  77  -0.406   6.735  13.406
  566   2HD   ARG  77           HD1      ARG  77   1.265   6.895  13.944
  567    HE   ARG  77           HE       ARG  77   1.220   9.221  13.065
  568   1HH1  ARG  77          HH21      ARG  77  -0.684   9.992  11.386
  569   2HH1  ARG  77          HH22      ARG  77  -2.133  10.315  12.280
  570   1HH2  ARG  77          HH11      ARG  77  -1.106   8.565  15.092
  571   2HH2  ARG  77          HH12      ARG  77  -2.372   9.506  14.376
  572    H    LEU  78           HN       LEU  78   3.414   2.843   9.810
  573    HA   LEU  78           HA       LEU  78   5.537   3.747  11.633
  574   1HB   LEU  78           HB2      LEU  78   4.804   1.275  10.413
  575   2HB   LEU  78           HB1      LEU  78   6.441   1.675   9.890
  576    HG   LEU  78           HG       LEU  78   6.900   2.216  12.371
  577   1HD1  LEU  78          HD12      LEU  78   4.426   2.168  12.938
  578   2HD1  LEU  78          HD11      LEU  78   4.491   0.417  12.741
  579   3HD1  LEU  78          HD13      LEU  78   5.449   1.199  13.998
  580   1HD2  LEU  78          HD21      LEU  78   6.298  -0.639  11.532
  581   2HD2  LEU  78          HD23      LEU  78   7.795   0.232  11.201
  582   3HD2  LEU  78          HD22      LEU  78   7.355  -0.165  12.863
  583    H    LEU  79           HN       LEU  79   4.626   4.432   8.391
  584    HA   LEU  79           HA       LEU  79   7.177   4.611   7.168
  585   1HB   LEU  79           HB2      LEU  79   6.166   5.880   5.483
  586   2HB   LEU  79           HB1      LEU  79   4.819   4.955   6.123
  587    HG   LEU  79           HG       LEU  79   4.028   7.178   5.854
  588   1HD1  LEU  79          HD12      LEU  79   4.636   6.417   8.682
  589   2HD1  LEU  79          HD11      LEU  79   3.939   7.999   8.360
  590   3HD1  LEU  79          HD13      LEU  79   3.087   6.541   7.859
  591   1HD2  LEU  79          HD21      LEU  79   6.741   7.875   6.397
  592   2HD2  LEU  79          HD23      LEU  79   5.445   8.907   5.796
  593   3HD2  LEU  79          HD22      LEU  79   5.713   8.751   7.532
  594    H    GLN  80           HN       GLN  80   8.902   5.837   7.690
  595    HA   GLN  80           HA       GLN  80   8.529   8.548   8.769
  596   1HB   GLN  80           HB2      GLN  80   9.742   6.309  10.409
  597   2HB   GLN  80           HB1      GLN  80   9.944   8.019  10.791
  598   1HG   GLN  80           HG2      GLN  80   7.346   8.123  10.660
  599   2HG   GLN  80           HG1      GLN  80   7.424   6.370  10.830
  600   1HE2  GLN  80          HE22      GLN  80   7.700   6.686  14.318
  601   2HE2  GLN  80          HE21      GLN  80   7.029   5.869  12.990
  602    H    ASP  81           HN       ASP  81  10.866   9.320   9.480
  603    HA   ASP  81           HA       ASP  81  12.438   9.337   7.100
  604   1HB   ASP  81           HB2      ASP  81  13.150  10.178   9.929
  605   2HB   ASP  81           HB1      ASP  81  14.115  10.538   8.494
  606    H    LEU  82           HN       LEU  82  13.354   7.502   6.425
  607    HA   LEU  82           HA       LEU  82  14.698   5.655   8.302
  608   1HB   LEU  82           HB2      LEU  82  13.938   5.601   5.383
  609   2HB   LEU  82           HB1      LEU  82  15.137   4.468   5.984
  610    HG   LEU  82           HG       LEU  82  12.394   4.819   7.220
  611   1HD1  LEU  82          HD12      LEU  82  13.351   3.174   4.934
  612   2HD1  LEU  82          HD11      LEU  82  12.319   2.359   6.108
  613   3HD1  LEU  82          HD13      LEU  82  11.736   3.798   5.272
  614   1HD2  LEU  82          HD23      LEU  82  14.556   3.790   8.410
  615   2HD2  LEU  82          HD22      LEU  82  12.958   3.080   8.636
  616   3HD2  LEU  82          HD21      LEU  82  14.084   2.367   7.481
  617    HA   PRO  83           HA       PRO  83  18.705   7.211   7.495
  618   1HB   PRO  83           HB2      PRO  83  20.210   5.016   6.747
  619   2HB   PRO  83           HB1      PRO  83  19.738   5.384   8.415
  620   1HG   PRO  83           HG2      PRO  83  18.583   3.359   6.535
  621   2HG   PRO  83           HG1      PRO  83  18.717   3.302   8.301
  622   1HD   PRO  83           HD2      PRO  83  16.374   3.892   6.938
  623   2HD   PRO  83           HD1      PRO  83  16.696   4.376   8.613
  624    H    GLY  84           HN       GLY  84  18.477   8.562   5.740
  625   1HA   GLY  84           HA2      GLY  84  19.274   9.236   3.588
  626   2HA   GLY  84           HA1      GLY  84  19.448   7.539   3.141
  627    H    CYS  85           HN       CYS  85  16.431   8.262   4.645
  628    HA   CYS  85           HA       CYS  85  15.099   8.767   2.031
  629   1HB   CYS  85           HB2      CYS  85  14.003   6.637   3.842
  630   2HB   CYS  85           HB1      CYS  85  13.722   6.880   2.121
  631    HA   PRO  86           HA       PRO  86  13.262  11.152   5.489
  632   1HB   PRO  86           HB2      PRO  86  12.681  13.385   3.977
  633   2HB   PRO  86           HB1      PRO  86  14.215  13.119   4.803
  634   1HG   PRO  86           HG2      PRO  86  13.581  12.896   1.903
  635   2HG   PRO  86           HG1      PRO  86  15.131  13.254   2.683
  636   1HD   PRO  86           HD2      PRO  86  14.380  10.772   1.582
  637   2HD   PRO  86           HD1      PRO  86  15.752  11.045   2.681
  638    H    ARG  87           HN       ARG  87  11.026  11.843   5.862
  639    HA   ARG  87           HA       ARG  87   8.977  10.320   4.801
  640   1HB   ARG  87           HB2      ARG  87   8.802  13.237   5.620
  641   2HB   ARG  87           HB1      ARG  87   7.449  12.120   5.513
  642   1HG   ARG  87           HG2      ARG  87   9.338  10.810   7.106
  643   2HG   ARG  87           HG1      ARG  87   9.363  12.485   7.655
  644   1HD   ARG  87           HD2      ARG  87   6.909  10.721   7.405
  645   2HD   ARG  87           HD1      ARG  87   7.664  11.251   8.909
  646    HE   ARG  87           HE       ARG  87   6.257  13.069   6.999
  647   1HH1  ARG  87          HH11      ARG  87   7.872  14.843   8.441
  648   2HH1  ARG  87          HH12      ARG  87   7.071  15.094   9.956
  649   1HH2  ARG  87          HH21      ARG  87   5.071  12.279   9.668
  650   2HH2  ARG  87          HH22      ARG  87   5.486  13.644  10.650
  651    H    GLN  88           HN       GLN  88  10.533  13.144   3.483
  652    HA   GLN  88           HA       GLN  88   8.621  13.983   1.574
  653   1HB   GLN  88           HB2      GLN  88  10.648  15.265   2.087
  654   2HB   GLN  88           HB1      GLN  88  11.641  14.017   1.334
  655   1HG   GLN  88           HG2      GLN  88   9.903  14.497  -0.686
  656   2HG   GLN  88           HG1      GLN  88   9.928  16.089   0.074
  657   1HE2  GLN  88          HE22      GLN  88  12.991  15.082  -2.259
  658   2HE2  GLN  88          HE21      GLN  88  11.479  14.311  -2.281
  659    H    VAL  89           HN       VAL  89  11.470  11.916   0.808
  660    HA   VAL  89           HA       VAL  89  10.579  11.247  -1.795
  661    HB   VAL  89           HB       VAL  89  12.334   9.676   0.099
  662   1HG1  VAL  89          HG11      VAL  89  11.462   8.558  -2.046
  663   2HG1  VAL  89          HG13      VAL  89  12.422   9.753  -2.920
  664   3HG1  VAL  89          HG12      VAL  89  13.213   8.607  -1.838
  665   1HG2  VAL  89          HG22      VAL  89  12.765  12.060  -1.654
  666   2HG2  VAL  89          HG21      VAL  89  13.321  11.770  -0.005
  667   3HG2  VAL  89          HG23      VAL  89  14.092  10.936  -1.354
  668    H    GLN  90           HN       GLN  90  10.071   9.661   1.324
  669    HA   GLN  90           HA       GLN  90   8.790   7.315   0.285
  670   1HB   GLN  90           HB2      GLN  90   8.936   8.686   2.933
  671   2HB   GLN  90           HB1      GLN  90   7.616   7.540   2.694
  672   1HG   GLN  90           HG2      GLN  90   9.707   6.500   3.640
  673   2HG   GLN  90           HG1      GLN  90   9.168   5.772   2.126
  674   1HE2  GLN  90          HE22      GLN  90  12.444   8.266   1.937
  675   2HE2  GLN  90          HE21      GLN  90  11.214   8.611   3.055
  676    H    ARG  91           HN       ARG  91   7.701  10.582   0.844
  677    HA   ARG  91           HA       ARG  91   4.861   9.919   0.631
  678   1HB   ARG  91           HB2      ARG  91   6.128  12.052   1.676
  679   2HB   ARG  91           HB1      ARG  91   5.797  12.688   0.063
  680   1HG   ARG  91           HG2      ARG  91   3.871  13.267   1.307
  681   2HG   ARG  91           HG1      ARG  91   3.389  11.816   0.427
  682   1HD   ARG  91           HD2      ARG  91   4.553  10.828   2.760
  683   2HD   ARG  91           HD1      ARG  91   3.634  12.232   3.304
  684    HE   ARG  91           HE       ARG  91   2.501   9.791   2.089
  685   1HH1  ARG  91          HH11      ARG  91   0.488  10.834   0.924
  686   2HH1  ARG  91          HH12      ARG  91  -0.516  11.701   2.038
  687   1HH2  ARG  91          HH21      ARG  91   1.909  11.862   4.510
  688   2HH2  ARG  91          HH22      ARG  91   0.289  12.282   4.067
  689    H    ALA  92           HN       ALA  92   7.425  10.968  -1.563
  690    HA   ALA  92           HA       ALA  92   5.678  11.569  -3.778
  691   1HB   ALA  92           HB1      ALA  92   8.109  12.298  -3.498
  692   2HB   ALA  92           HB3      ALA  92   8.557  10.660  -3.973
  693   3HB   ALA  92           HB2      ALA  92   7.670  11.692  -5.095
  694    H    PHE  93           HN       PHE  93   7.700   8.705  -3.020
  695    HA   PHE  93           HA       PHE  93   6.546   7.191  -5.233
  696   1HB   PHE  93           HB2      PHE  93   8.817   6.687  -4.540
  697   2HB   PHE  93           HB1      PHE  93   8.277   6.341  -2.896
  698    HD1  PHE  93           HD2      PHE  93   6.349   5.422  -5.905
  699    HD2  PHE  93           HD1      PHE  93   9.012   4.027  -2.841
  700    HE1  PHE  93           HE2      PHE  93   5.871   3.078  -6.558
  701    HE2  PHE  93           HE1      PHE  93   8.534   1.683  -3.490
  702    HZ   PHE  93           HZ       PHE  93   6.962   1.208  -5.349
  703    H    ALA  94           HN       ALA  94   5.820   7.639  -1.854
  704    HA   ALA  94           HA       ALA  94   4.513   5.411  -1.011
  705   1HB   ALA  94           HB1      ALA  94   4.276   8.224  -0.481
  706   2HB   ALA  94           HB3      ALA  94   2.670   7.497  -0.475
  707   3HB   ALA  94           HB2      ALA  94   3.926   6.867   0.590
  708    HA   PRO  95           HA       PRO  95   0.533   6.367  -3.480
  709   1HB   PRO  95           HB2      PRO  95   0.726   8.257  -5.479
  710   2HB   PRO  95           HB1      PRO  95   0.192   8.607  -3.826
  711   1HG   PRO  95           HG2      PRO  95   2.823   9.192  -5.116
  712   2HG   PRO  95           HG1      PRO  95   1.997  10.058  -3.811
  713   1HD   PRO  95           HD2      PRO  95   4.139   8.293  -3.461
  714   2HD   PRO  95           HD1      PRO  95   3.025   8.798  -2.179
  715    H    LYS  96           HN       LYS  96  -0.038   6.219  -6.074
  716    HA   LYS  96           HA       LYS  96   0.397   5.097  -8.107
  717   1HB   LYS  96           HB2      LYS  96   2.780   6.253  -7.627
  718   2HB   LYS  96           HB1      LYS  96   3.246   4.566  -7.401
  719   1HG   LYS  96           HG2      LYS  96   2.849   4.013  -9.602
  720   2HG   LYS  96           HG1      LYS  96   1.576   5.220  -9.785
  721   1HD   LYS  96           HD2      LYS  96   4.429   6.081  -9.365
  722   2HD   LYS  96           HD1      LYS  96   3.864   5.630 -10.973
  723   1HE   LYS  96           HE2      LYS  96   2.332   7.604  -9.285
  724   2HE   LYS  96           HE1      LYS  96   3.680   8.123 -10.296
  725   1HZ   LYS  96           HZ2      LYS  96   1.428   6.512 -11.344
  726   2HZ   LYS  96           HZ1      LYS  96   1.415   8.211 -11.346
  727   3HZ   LYS  96           HZ3      LYS  96   2.598   7.373 -12.225
  728    H    LEU  97           HN       LEU  97  -0.352   3.843  -5.570
  729    HA   LEU  97           HA       LEU  97   1.074   1.338  -5.287
  730   1HB   LEU  97           HB2      LEU  97  -0.607   2.713  -3.680
  731   2HB   LEU  97           HB1      LEU  97  -1.725   1.511  -4.328
  732    HG   LEU  97           HG       LEU  97  -0.741   0.571  -2.340
  733   1HD1  LEU  97          HD12      LEU  97  -0.829  -0.755  -4.617
  734   2HD1  LEU  97          HD11      LEU  97   0.928  -0.690  -4.493
  735   3HD1  LEU  97          HD13      LEU  97  -0.019  -1.462  -3.221
  736   1HD2  LEU  97          HD23      LEU  97   1.784   1.653  -3.553
  737   2HD2  LEU  97          HD22      LEU  97   1.208   1.772  -1.890
  738   3HD2  LEU  97          HD21      LEU  97   1.880   0.253  -2.485
  739    H    VAL  98           HN       VAL  98  -2.425   1.645  -6.090
  740    HA   VAL  98           HA       VAL  98  -2.336  -0.914  -7.458
  741    HB   VAL  98           HB       VAL  98  -4.656  -0.730  -7.654
  742   1HG1  VAL  98          HG13      VAL  98  -3.523  -0.398  -5.268
  743   2HG1  VAL  98          HG12      VAL  98  -4.360   1.151  -5.357
  744   3HG1  VAL  98          HG11      VAL  98  -5.275  -0.353  -5.463
  745   1HG2  VAL  98          HG23      VAL  98  -4.044   2.099  -8.106
  746   2HG2  VAL  98          HG22      VAL  98  -5.426   1.153  -8.659
  747   3HG2  VAL  98          HG21      VAL  98  -5.437   1.873  -7.049
  748    H    THR  99           HN       THR  99  -0.765   1.428  -8.654
  749    HA   THR  99           HA       THR  99  -2.196   1.654 -11.226
  750    HB   THR  99           HB       THR  99  -0.626   3.369 -11.821
  751    HG1  THR  99           HG1      THR  99   1.274   3.611 -10.809
  752   1HG2  THR  99          HG22      THR  99  -2.330   3.654  -9.789
  753   2HG2  THR  99          HG21      THR  99  -0.828   3.923  -8.903
  754   3HG2  THR  99          HG23      THR  99  -1.239   4.952 -10.275
  755    H    GLU 100           HN       GLU 100  -0.696   1.330 -13.265
  756    HA   GLU 100           HA       GLU 100   0.232  -1.355 -13.247
  757   1HB   GLU 100           HB2      GLU 100   0.052   0.814 -15.124
  758   2HB   GLU 100           HB1      GLU 100   1.621   0.025 -15.293
  759   1HG   GLU 100           HG2      GLU 100   0.674  -2.048 -15.813
  760   2HG   GLU 100           HG1      GLU 100  -0.869  -1.641 -15.059
  761    H    VAL 101           HN       VAL 101   1.816   1.195 -11.633
  762    HA   VAL 101           HA       VAL 101   4.498   0.129 -12.315
  763    HB   VAL 101           HB       VAL 101   3.838   2.444 -10.483
  764   1HG1  VAL 101          HG11      VAL 101   6.294   1.379 -11.857
  765   2HG1  VAL 101          HG13      VAL 101   6.181   3.092 -11.456
  766   3HG1  VAL 101          HG12      VAL 101   6.092   1.879 -10.179
  767   1HG2  VAL 101          HG23      VAL 101   3.538   2.198 -13.363
  768   2HG2  VAL 101          HG22      VAL 101   3.116   3.551 -12.313
  769   3HG2  VAL 101          HG21      VAL 101   4.752   3.412 -12.959
  770    H    GLU 102           HN       GLU 102   2.142  -0.806 -10.257
  771    HA   GLU 102           HA       GLU 102   4.156  -1.806  -8.319
  772   1HB   GLU 102           HB2      GLU 102   2.055   0.136  -7.734
  773   2HB   GLU 102           HB1      GLU 102   1.948  -1.297  -6.710
  774   1HG   GLU 102           HG2      GLU 102   4.618  -0.005  -7.162
  775   2HG   GLU 102           HG1      GLU 102   3.502   0.694  -5.989
  776    H    CYS 103           HN       CYS 103   0.672  -2.035  -7.825
  777    HA   CYS 103           HA       CYS 103   0.666  -4.788  -8.952
  778   1HB   CYS 103           HB2      CYS 103  -0.010  -4.084  -6.079
  779   2HB   CYS 103           HB1      CYS 103  -0.302  -5.656  -6.825
  780    H    ASN 104           HN       ASN 104  -0.650  -2.372  -9.879
  781    HA   ASN 104           HA       ASN 104  -3.144  -1.671  -9.135
  782   1HB   ASN 104           HB2      ASN 104  -3.796  -1.562 -11.521
  783   2HB   ASN 104           HB1      ASN 104  -2.159  -0.958 -11.257
  784   1HD2  ASN 104          HD22      ASN 104  -0.594  -3.699 -12.953
  785   2HD2  ASN 104          HD21      ASN 104  -0.343  -2.491 -11.787
  786    H    LEU 105           HN       LEU 105  -2.548  -4.802 -10.825
  787    HA   LEU 105           HA       LEU 105  -4.055  -6.615 -11.077
  788   1HB   LEU 105           HB2      LEU 105  -4.285  -5.741  -8.204
  789   2HB   LEU 105           HB1      LEU 105  -5.264  -7.076  -8.803
  790    HG   LEU 105           HG       LEU 105  -2.934  -7.584  -7.731
  791   1HD1  LEU 105          HD12      LEU 105  -3.837  -8.726 -10.387
  792   2HD1  LEU 105          HD11      LEU 105  -2.635  -9.480  -9.338
  793   3HD1  LEU 105          HD13      LEU 105  -4.296  -9.288  -8.779
  794   1HD2  LEU 105          HD21      LEU 105  -2.178  -6.628 -10.507
  795   2HD2  LEU 105          HD23      LEU 105  -1.541  -6.062  -8.964
  796   3HD2  LEU 105          HD22      LEU 105  -1.152  -7.681  -9.537
  797    H    ALA 106           HN       ALA 106  -5.179  -3.804 -11.667
  798    HA   ALA 106           HA       ALA 106  -7.263  -2.915 -12.257
  799   1HB   ALA 106           HB3      ALA 106  -7.423  -5.354 -13.170
  800   2HB   ALA 106           HB2      ALA 106  -8.464  -5.639 -11.776
  801   3HB   ALA 106           HB1      ALA 106  -8.915  -4.433 -12.981
  802    H    THR 107           HN       THR 107  -8.416  -1.636 -10.869
  803    HA   THR 107           HA       THR 107  -8.941  -2.656  -8.126
  804    HB   THR 107           HB       THR 107  -9.066  -0.411  -7.455
  805    HG1  THR 107           HG1      THR 107  -9.501   0.452 -10.106
  806   1HG2  THR 107          HG21      THR 107  -6.991  -1.100  -9.149
  807   2HG2  THR 107          HG23      THR 107  -7.552   0.435  -9.809
  808   3HG2  THR 107          HG22      THR 107  -7.045   0.333  -8.123
  809    H    ILE 108           HN       ILE 108 -11.239  -1.393  -7.376
  810    HA   ILE 108           HA       ILE 108 -13.313  -2.955  -8.547
  811    HB   ILE 108           HB       ILE 108 -13.413  -1.840  -6.288
  812   1HG1  ILE 108          HG12      ILE 108 -15.848  -1.114  -6.569
  813   2HG1  ILE 108          HG11      ILE 108 -15.639  -1.414  -8.295
  814   1HG2  ILE 108          HG23      ILE 108 -13.187   0.512  -8.007
  815   2HG2  ILE 108          HG22      ILE 108 -14.562   0.619  -6.909
  816   3HG2  ILE 108          HG21      ILE 108 -12.939   0.368  -6.268
  817   1HD1  ILE 108          HD12      ILE 108 -14.916  -3.516  -6.258
  818   2HD1  ILE 108          HD11      ILE 108 -16.571  -3.347  -6.841
  819   3HD1  ILE 108          HD13      ILE 108 -15.271  -3.722  -7.972
  820    H    HIS 109           HN       HIS 109 -11.862   0.002  -9.531
  821    HA   HIS 109           HA       HIS 109 -14.039   0.920 -11.240
  822   1HB   HIS 109           HB2      HIS 109 -11.115   1.699 -11.114
  823   2HB   HIS 109           HB1      HIS 109 -12.371   2.573 -11.990
  824    HD1  HIS 109           HD1      HIS 109 -13.988   4.029 -10.619
  825    HD2  HIS 109           HD2      HIS 109 -11.295   1.891  -8.268
  826    HE1  HIS 109           HE1      HIS 109 -14.187   4.967  -8.275
  827    H    GLY 110           HN       GLY 110 -12.523  -1.847 -11.600
  828   1HA   GLY 110           HA2      GLY 110 -11.673  -3.101 -13.404
  829   2HA   GLY 110           HA1      GLY 110 -12.932  -2.252 -14.304
  830    H    GLY 111           HN       GLY 111 -10.338  -0.481 -12.783
  831   1HA   GLY 111           HA2      GLY 111  -8.772  -0.330 -15.268
  832   2HA   GLY 111           HA1      GLY 111  -9.593   1.159 -14.805
  833    HA   PRO 112           HA       PRO 112  -5.514   0.692 -12.499
  834   1HB   PRO 112           HB2      PRO 112  -4.054   2.467 -14.026
  835   2HB   PRO 112           HB1      PRO 112  -4.090   0.719 -14.310
  836   1HG   PRO 112           HG2      PRO 112  -5.380   2.913 -15.850
  837   2HG   PRO 112           HG1      PRO 112  -4.918   1.291 -16.388
  838   1HD   PRO 112           HD2      PRO 112  -7.539   2.157 -15.727
  839   2HD   PRO 112           HD1      PRO 112  -7.021   0.480 -16.001
  840    H    PHE 113           HN       PHE 113  -7.211   1.969 -11.133
  841    HA   PHE 113           HA       PHE 113  -6.072   4.332 -10.159
  842   1HB   PHE 113           HB2      PHE 113  -7.721   6.044 -11.029
  843   2HB   PHE 113           HB1      PHE 113  -6.567   5.458 -12.224
  844    HD1  PHE 113           HD2      PHE 113 -10.061   5.078 -10.986
  845    HD2  PHE 113           HD1      PHE 113  -7.284   4.278 -14.162
  846    HE1  PHE 113           HE2      PHE 113 -11.933   4.350 -12.441
  847    HE2  PHE 113           HE1      PHE 113  -9.155   3.552 -15.619
  848    HZ   PHE 113           HZ       PHE 113 -11.484   3.589 -14.761
  849    H    CYS 114           HN       CYS 114  -7.309   5.181  -8.343
  850    HA   CYS 114           HA       CYS 114  -9.977   3.943  -7.939
  851   1HB   CYS 114           HB2      CYS 114  -9.458   3.065  -5.799
  852   2HB   CYS 114           HB1      CYS 114  -8.096   2.598  -6.812
  853    H    LEU 115           HN       LEU 115 -11.432   5.543  -7.209
  854    HA   LEU 115           HA       LEU 115 -11.096   7.396  -5.201
  855   1HB   LEU 115           HB2      LEU 115  -9.439   8.090  -7.479
  856   2HB   LEU 115           HB1      LEU 115 -10.637   9.349  -7.175
  857    HG   LEU 115           HG       LEU 115  -8.928   8.156  -4.984
  858   1HD1  LEU 115          HD13      LEU 115  -7.966   9.680  -7.087
  859   2HD1  LEU 115          HD12      LEU 115  -8.311  10.889  -5.850
  860   3HD1  LEU 115          HD11      LEU 115  -7.218   9.551  -5.495
  861   1HD2  LEU 115          HD23      LEU 115 -11.094   9.323  -4.413
  862   2HD2  LEU 115          HD22      LEU 115  -9.663  10.090  -3.725
  863   3HD2  LEU 115          HD21      LEU 115 -10.435  10.784  -5.151
  864    H    SER 116           HN       SER 116 -12.288   9.694  -6.061
  865    HA   SER 116           HA       SER 116 -14.926   8.702  -6.971
  866   1HB   SER 116           HB2      SER 116 -14.086  10.674  -5.153
  867   2HB   SER 116           HB1      SER 116 -14.758  11.567  -6.514
  868    HG   SER 116           HG       SER 116 -16.618  10.219  -6.338
  869    H    LEU 117           HN       LEU 117 -12.431   9.139  -8.751
  870    HA   LEU 117           HA       LEU 117 -12.910  11.390 -10.430
  871   1HB   LEU 117           HB2      LEU 117 -11.347  10.428 -11.942
  872   2HB   LEU 117           HB1      LEU 117 -10.811   9.970 -10.332
  873    HG   LEU 117           HG       LEU 117 -10.619   7.994 -11.621
  874   1HD1  LEU 117          HD13      LEU 117 -13.293   7.884 -10.209
  875   2HD1  LEU 117          HD12      LEU 117 -12.361   6.482 -10.718
  876   3HD1  LEU 117          HD11      LEU 117 -11.720   7.567  -9.485
  877   1HD2  LEU 117          HD22      LEU 117 -12.397   9.133 -13.326
  878   2HD2  LEU 117          HD21      LEU 117 -11.925   7.436 -13.402
  879   3HD2  LEU 117          HD23      LEU 117 -13.418   7.901 -12.585
  880    H    LEU 118           HN       LEU 118 -14.910   8.722  -9.992
  881    HA   LEU 118           HA       LEU 118 -15.724   7.909 -12.519
  882   1HB   LEU 118           HB2      LEU 118 -17.210   8.212  -9.927
  883   2HB   LEU 118           HB1      LEU 118 -18.089   7.787 -11.393
  884    HG   LEU 118           HG       LEU 118 -15.831   6.158 -11.464
  885   1HD1  LEU 118          HD11      LEU 118 -16.812   6.594  -8.647
  886   2HD1  LEU 118          HD13      LEU 118 -16.130   5.042  -9.135
  887   3HD1  LEU 118          HD12      LEU 118 -15.152   6.506  -9.234
  888   1HD2  LEU 118          HD23      LEU 118 -18.734   5.878 -10.895
  889   2HD2  LEU 118          HD22      LEU 118 -17.743   5.068 -12.109
  890   3HD2  LEU 118          HD21      LEU 118 -17.721   4.510 -10.435
  891    H    GLY 119           HN       GLY 119 -16.259  11.132 -11.212
  892   1HA   GLY 119           HA2      GLY 119 -18.502  11.767 -12.902
  893   2HA   GLY 119           HA1      GLY 119 -17.459  12.939 -12.095
  894    H    ALA 120           HN       ALA 120 -15.594  13.710 -13.201
  895    HA   ALA 120           HA       ALA 120 -15.330  12.849 -16.034
  896   1HB   ALA 120           HB1      ALA 120 -16.654  14.947 -15.893
  897   2HB   ALA 120           HB3      ALA 120 -15.324  15.710 -15.021
  898   3HB   ALA 120           HB2      ALA 120 -15.107  15.206 -16.697
  899    H    GLY 121           HN       GLY 121 -13.277  15.318 -15.833
  900   1HA   GLY 121           HA2      GLY 121 -10.979  15.511 -15.432
  901   2HA   GLY 121           HA1      GLY 121 -11.232  14.455 -14.042
  902    H    GLU 122           HN       GLU 122 -12.380  13.060 -16.913
  903    HA   GLU 122           HA       GLU 122 -11.644  11.115 -18.017
  904   1HB   GLU 122           HB2      GLU 122 -10.013  13.252 -18.658
  905   2HB   GLU 122           HB1      GLU 122  -8.852  12.018 -18.166
  906   1HG   GLU 122           HG2      GLU 122  -9.396  11.910 -20.602
  907   2HG   GLU 122           HG1      GLU 122  -9.813  10.425 -19.744
   
  No H/Q in entry =         907
   
  No H/Q in entry =         907