*HEADER   INTEGRAL MEMBRANE PROTEIN               11-MAR-97   1AFO    
*TITLE    DIMERIC TRANSMEMBRANE DOMAIN OF HUMAN GLYCOPHORIN A,        
*TITLE   2 NMR, 20 STRUCTURES                                         
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: GLYCOPHORIN A;                                   
*COMPND  3 CHAIN: A, B;                                               
*COMPND  4 FRAGMENT: TRANSMEMBRANE PEPTIDE;                           
*COMPND  5 ENGINEERED: DERIVED BY PROTEOLYSIS OF A CHIMERIC PROTEIN   
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                         
*SOURCE  3 ORGANISM_COMMON: HUMAN;                                    
*SOURCE  4 STRAIN: MG-T7;                                             
*SOURCE  5 CELL: ERYTHROCYTE;                                         
*SOURCE  6 CELLULAR_LOCATION: PLASMA MEMBRANE;                        
*SOURCE  7 PLASMID: PET3A;                                            
*SOURCE  8 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE  9 EXPRESSION_SYSTEM_STRAIN: MG-T7;                           
*SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET3A                           
*KEYWDS   INTEGRAL MEMBRANE PROTEIN, HUMAN GLYCOPHORIN A,             
*KEYWDS  2 TRANSMEMBRANE HELIX INTERACTIONS, MEMBRANE PROTEIN FOLDING 
*EXPDTA   NMR, 20 STRUCTURES                                          
*AUTHOR   K.R.MACKENZIE,J.H.PRESTEGARD,D.M.ENGELMAN                   
*REVDAT  1   17-SEP-97 1AFO    0                                      

remarks   NOE contacts observed in 3D 13C NOESY-HSQC acquired at 600 MHz with a 20msec mixing period
remarks   restraints are defined to be ambiguous (intra- or inter- monomer)  

assign (segid "a   " and resid  98 and name  hb* ) (segid * and resid  98 and name  hd* ) 	2.2  0.8  0.8 
assign (segid "a   " and resid  98 and name  hb* ) (segid * and resid  98 and name  hn  ) 	3.0  1.0  1.0
assign (segid "a   " and resid  98 and name  hb* ) (segid * and resid  98 and name  ha  ) 	3.0  1.0  1.0
assign (segid "a   " and resid  64 and name  hb* ) (segid * and resid  65 and name  ha  ) 	3.0  1.0  1.0
assign (segid "a   " and resid  64 and name  hb* ) (segid * and resid  64 and name  hd* ) 	2.2  0.8  0.8	
assign (segid "a   " and resid  89 and name  hb* ) (segid * and resid  89 and name  ha  ) 	3.0  1.0  1.0	
assign (segid "a   " and resid  75 and name  hb1 ) (segid * and resid  72 and name  ha  ) 	4.0  1.0  1.0
assign (segid "a   " and resid  75 and name  hb2 ) (segid * and resid  72 and name  ha  ) 	4.0  1.0  1.0	
assign (segid "a   " and resid  90 and name  hb* ) (segid * and resid  90 and name  hd* ) 	3.0  1.0  1.0
assign (segid "a   " and resid  90 and name  hb* ) (segid * and resid  90 and name  ha  ) 	3.0  1.0  1.0
assign (segid "a   " and resid  90 and name  hb* ) (segid * and resid  90 and name  hn  ) 	3.0  1.0  1.0
assign (segid "a   " and resid  63 and name  hg* ) (segid * and resid  63 and name  hb* ) 	2.2  0.8  0.8
assign (segid "a   " and resid  63 and name  hg* ) (segid * and resid  63 and name  ha  ) 	4.0  1.0  1.0
assign (segid "a   " and resid  65 and name  hb* ) (segid * and resid  65 and name  ha  ) 	2.2  0.8  0.8
assign (segid "a   " and resid  65 and name  hb* ) (segid * and resid  65 and name  hn  ) 	2.2  0.8  0.8
assign (segid "a   " and resid  82 and name  hb* ) (segid * and resid  82 and name  ha  ) 	2.2  0.8  0.8
assign (segid "a   " and resid  82 and name  hb* ) (segid * and resid  82 and name  hn  ) 	2.2  0.8  0.8
assign (segid "a   " and resid  82 and name  hb* ) (segid * and resid  83 and name  hn  ) 	4.0  1.0  1.0
assign (segid "a   " and resid  74 and name hg2* ) (segid * and resid  74 and name  ha  ) 	2.2  0.8  0.8
assign (segid "a   " and resid  87 and name hg2* ) (segid * and resid  87 and name  ha  ) 	3.0  1.0  1.0
assign (segid "a   " and resid  87 and name hg2* ) (segid * and resid  87 and name  hb  ) 	2.2  0.8  0.8
assign (segid "a   " and resid  87 and name hg2* ) (segid * and resid  87 and name  hg1 ) 	4.0  1.0  1.0
assign (segid "a   " and resid  80 and name  hb  ) (segid * and resid  80 and name  hn  ) 	2.2  0.8  0.8
assign (segid "a   " and resid  84 and name  hb  ) (segid * and resid  84 and name  ha  ) 	2.2  0.8  0.8
assign (segid "a   " and resid  84 and name  hb  ) (segid * and resid  85 and name  hn  ) 	2.2  0.8  0.8
assign (segid "a   " and resid  81 and name  hg1 ) (segid * and resid  81 and name  ha  ) 	3.0  1.0  1.0
assign (segid "a   " and resid  81 and name  hg1 ) (segid * and resid  81 and name  hn  ) 	3.0  1.0  1.0
assign (segid "a   " and resid  81 and name  hg2 ) (segid * and resid  81 and name  ha  ) 	3.0  1.0  1.0
assign (segid "a   " and resid  81 and name  hg2 ) (segid * and resid  81 and name  hn  ) 	3.0  1.0  1.0
assign (segid "a   " and resid  82 and name  ha  ) (segid * and resid  82 and name  hb* ) 	2.2  0.8  0.8
assign (segid "a   " and resid  82 and name  ha  ) (segid * and resid  85 and name  hb  ) 	3.0  1.0  1.0
assign (segid "a   " and resid  64 and name  ha  ) (segid * and resid  64 and name  hb* ) 	2.2  0.8  0.8
assign (segid "a   " and resid  64 and name  ha  ) (segid * and resid  64 and name  hd* ) 	3.0  1.0  1.0
assign (segid "a   " and resid  65 and name  ha  ) (segid * and resid  65 and name  hb* ) 	2.2  0.8  0.8
assign (segid "a   " and resid  96 and name  ha  ) (segid * and resid  99 and name hg1* ) 	3.0  1.0  1.0
assign (segid "a   " and resid  96 and name  ha  ) (segid * and resid 100 and name  hb* ) 	3.0  1.0  1.0
assign (segid "a   " and resid  72 and name  ha  ) (segid * and resid  76 and name  hn  ) 	3.0  1.0  1.0
assign (segid "a   " and resid  74 and name  hb  ) (segid * and resid  74 and name  hn  ) 	3.0  1.0  1.0
assign (segid "a   " and resid  74 and name  hb  ) (segid * and resid  74 and name hg2* ) 	3.0  1.0  1.0
assign (segid "a   " and resid  74 and name  hb  ) (segid * and resid  74 and name  ha  ) 	3.0  1.0  1.0
assign (segid "a   " and resid  87 and name  hb  ) (segid * and resid  87 and name  hg1 ) 	2.2  0.8  0.8
assign (segid "a   " and resid  87 and name  hb  ) (segid * and resid  87 and name hg2* ) 	3.0  1.0  1.0
assign (segid "a   " and resid  99 and name hg1* ) (segid * and resid  97 and name  ha  ) 	3.0  1.0  1.0
assign (segid "a   " and resid  76 and name hd1* ) (segid * and resid  76 and name  hb  ) 	2.2  0.8  0.8
assign (segid "a   " and resid  75 and name  hd* ) (segid * and resid  76 and name  hb  ) 	2.2  0.8  0.8
assign (segid "a   " and resid  84 and name hg1* ) (segid * and resid  84 and name  ha  ) 	2.2  0.8  0.8
assign (segid "a   " and resid  84 and name hg1* ) (segid * and resid  84 and name  hb  ) 	2.2  0.8  0.8
assign (segid "a   " and resid  84 and name hg2* ) (segid * and resid  84 and name  ha  ) 	2.2  0.8  0.8
assign (segid "a   " and resid  84 and name hg2* ) (segid * and resid  84 and name  hb  ) 	2.2  0.8  0.8
assign (segid "a   " and resid  80 and name hg1* ) (segid * and resid  80 and name  hb  ) 	2.2  0.8  0.8
assign (segid "a   " and resid  80 and name hg1* ) (segid * and resid  80 and name  hn  ) 	4.0  1.0  1.0
assign (segid "a   " and resid  80 and name hg2* ) (segid * and resid  80 and name  hb  ) 	2.2  0.8  0.8
assign (segid "a   " and resid  80 and name hg2* ) (segid * and resid  80 and name  hn  ) 	3.0  1.0  1.0
assign (segid "a   " and resid  96 and name  hd* ) (segid * and resid  96 and name  hg* ) 	2.2  0.8  0.8
assign (segid "a   " and resid  96 and name  hd* ) (segid * and resid  96 and name  hh* ) 	3.0  1.0  1.0  
assign (segid "a   " and resid  96 and name  hd* ) (segid * and resid  96 and name  he  ) 	3.0  1.0  1.0
assign (segid "a   " and resid  97 and name  hd* ) (segid * and resid  97 and name  ha  ) 	4.0  1.0  1.0
assign (segid "a   " and resid  97 and name  hd* ) (segid * and resid  97 and name  hb* ) 	3.0  1.0  1.0
assign (segid "a   " and resid  97 and name  hd* ) (segid * and resid  97 and name  hg* ) 	3.0  1.0  1.0

! the other monomer now

assign (segid "b   " and resid  98 and name  hb* ) (segid * and resid  98 and name  hd* ) 	2.2  0.8  0.8 
assign (segid "b   " and resid  98 and name  hb* ) (segid * and resid  98 and name  hn  ) 	3.0  1.0  1.0
assign (segid "b   " and resid  98 and name  hb* ) (segid * and resid  98 and name  ha  ) 	3.0  1.0  1.0
assign (segid "b   " and resid  64 and name  hb* ) (segid * and resid  65 and name  ha  ) 	3.0  1.0  1.0
assign (segid "b   " and resid  64 and name  hb* ) (segid * and resid  64 and name  hd* ) 	2.2  0.8  0.8	
assign (segid "b   " and resid  89 and name  hb* ) (segid * and resid  89 and name  ha  ) 	3.0  1.0  1.0	
assign (segid "b   " and resid  75 and name  hb1 ) (segid * and resid  72 and name  ha  ) 	4.0  1.0  1.0
assign (segid "b   " and resid  75 and name  hb2 ) (segid * and resid  72 and name  ha  ) 	4.0  1.0  1.0	
assign (segid "b   " and resid  90 and name  hb* ) (segid * and resid  90 and name  hd* ) 	3.0  1.0  1.0
assign (segid "b   " and resid  90 and name  hb* ) (segid * and resid  90 and name  ha  ) 	3.0  1.0  1.0
assign (segid "b   " and resid  90 and name  hb* ) (segid * and resid  90 and name  hn  ) 	3.0  1.0  1.0
assign (segid "b   " and resid  63 and name  hg* ) (segid * and resid  63 and name  hb* ) 	2.2  0.8  0.8
assign (segid "b   " and resid  63 and name  hg* ) (segid * and resid  63 and name  ha  ) 	4.0  1.0  1.0
assign (segid "b   " and resid  65 and name  hb* ) (segid * and resid  65 and name  ha  ) 	2.2  0.8  0.8
assign (segid "b   " and resid  65 and name  hb* ) (segid * and resid  65 and name  hn  ) 	2.2  0.8  0.8
assign (segid "b   " and resid  82 and name  hb* ) (segid * and resid  82 and name  ha  ) 	2.2  0.8  0.8
assign (segid "b   " and resid  82 and name  hb* ) (segid * and resid  82 and name  hn  ) 	2.2  0.8  0.8
assign (segid "b   " and resid  82 and name  hb* ) (segid * and resid  83 and name  hn  ) 	4.0  1.0  1.0
assign (segid "b   " and resid  74 and name hg2* ) (segid * and resid  74 and name  ha  ) 	2.2  0.8  0.8
assign (segid "b   " and resid  87 and name hg2* ) (segid * and resid  87 and name  ha  ) 	3.0  1.0  1.0
assign (segid "b   " and resid  87 and name hg2* ) (segid * and resid  87 and name  hb  ) 	2.2  0.8  0.8
assign (segid "b   " and resid  87 and name hg2* ) (segid * and resid  87 and name  hg1 ) 	4.0  1.0  1.0
assign (segid "b   " and resid  80 and name  hb  ) (segid * and resid  80 and name  hn  ) 	2.2  0.8  0.8
assign (segid "b   " and resid  84 and name  hb  ) (segid * and resid  84 and name  ha  ) 	2.2  0.8  0.8
assign (segid "b   " and resid  84 and name  hb  ) (segid * and resid  85 and name  hn  ) 	2.2  0.8  0.8
assign (segid "b   " and resid  81 and name  hg1 ) (segid * and resid  81 and name  ha  ) 	3.0  1.0  1.0
assign (segid "b   " and resid  81 and name  hg1 ) (segid * and resid  81 and name  hn  ) 	3.0  1.0  1.0
assign (segid "b   " and resid  81 and name  hg2 ) (segid * and resid  81 and name  ha  ) 	3.0  1.0  1.0
assign (segid "b   " and resid  81 and name  hg2 ) (segid * and resid  81 and name  hn  ) 	3.0  1.0  1.0
assign (segid "b   " and resid  82 and name  ha  ) (segid * and resid  82 and name  hb* ) 	2.2  0.8  0.8
assign (segid "b   " and resid  82 and name  ha  ) (segid * and resid  85 and name  hb  ) 	3.0  1.0  1.0
assign (segid "b   " and resid  64 and name  ha  ) (segid * and resid  64 and name  hb* ) 	2.2  0.8  0.8
assign (segid "b   " and resid  64 and name  ha  ) (segid * and resid  64 and name  hd* ) 	3.0  1.0  1.0
assign (segid "b   " and resid  65 and name  ha  ) (segid * and resid  65 and name  hb* ) 	2.2  0.8  0.8
assign (segid "b   " and resid  96 and name  ha  ) (segid * and resid  99 and name hg1* ) 	3.0  1.0  1.0
assign (segid "b   " and resid  96 and name  ha  ) (segid * and resid 100 and name  hb* ) 	3.0  1.0  1.0
assign (segid "b   " and resid  72 and name  ha  ) (segid * and resid  76 and name  hn  ) 	3.0  1.0  1.0
assign (segid "b   " and resid  74 and name  hb  ) (segid * and resid  74 and name  hn  ) 	3.0  1.0  1.0
assign (segid "b   " and resid  74 and name  hb  ) (segid * and resid  74 and name hg2* ) 	3.0  1.0  1.0
assign (segid "b   " and resid  74 and name  hb  ) (segid * and resid  74 and name  ha  ) 	3.0  1.0  1.0
assign (segid "b   " and resid  87 and name  hb  ) (segid * and resid  87 and name  hg1 ) 	2.2  0.8  0.8
assign (segid "b   " and resid  87 and name  hb  ) (segid * and resid  87 and name hg2* ) 	3.0  1.0  1.0
assign (segid "b   " and resid  99 and name hg1* ) (segid * and resid  97 and name  ha  ) 	3.0  1.0  1.0
assign (segid "b   " and resid  76 and name hd1* ) (segid * and resid  76 and name  hb  ) 	2.2  0.8  0.8
assign (segid "b   " and resid  75 and name  hd* ) (segid * and resid  76 and name  hb  ) 	2.2  0.8  0.8
assign (segid "b   " and resid  84 and name hg1* ) (segid * and resid  84 and name  ha  ) 	2.2  0.8  0.8
assign (segid "b   " and resid  84 and name hg1* ) (segid * and resid  84 and name  hb  ) 	2.2  0.8  0.8
assign (segid "b   " and resid  84 and name hg2* ) (segid * and resid  84 and name  ha  ) 	2.2  0.8  0.8
assign (segid "b   " and resid  84 and name hg2* ) (segid * and resid  84 and name  hb  ) 	2.2  0.8  0.8
assign (segid "b   " and resid  80 and name hg1* ) (segid * and resid  80 and name  hb  ) 	2.2  0.8  0.8
assign (segid "b   " and resid  80 and name hg1* ) (segid * and resid  80 and name  hn  ) 	4.0  1.0  1.0
assign (segid "b   " and resid  80 and name hg2* ) (segid * and resid  80 and name  hb  ) 	2.2  0.8  0.8
assign (segid "b   " and resid  80 and name hg2* ) (segid * and resid  80 and name  hn  ) 	3.0  1.0  1.0
assign (segid "b   " and resid  96 and name  hd* ) (segid * and resid  96 and name  hg* ) 	2.2  0.8  0.8
assign (segid "b   " and resid  96 and name  hd* ) (segid * and resid  96 and name  hh* ) 	3.0  1.0  1.0    
assign (segid "b   " and resid  96 and name  hd* ) (segid * and resid  96 and name  he  ) 	3.0  1.0  1.0
assign (segid "b   " and resid  97 and name  hd* ) (segid * and resid  97 and name  ha  ) 	4.0  1.0  1.0
assign (segid "b   " and resid  97 and name  hd* ) (segid * and resid  97 and name  hb* ) 	3.0  1.0  1.0
assign (segid "b   " and resid  97 and name  hd* ) (segid * and resid  97 and name  hg* ) 	3.0  1.0  1.0

remarks   observed NH NOES from a 3D 15N NOESY HSQC acquired at 600 MHz with a 20 msec mixing time
remarks   retraints are defined as ambiguous (intra- or inter- monomer)

!	MAIN CHAIN NH NOES

assign (segid "a   " and resid  63 and name  hn ) (segid * and resid  62 and name  ha  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  63 and name  hn ) (segid * and resid  63 and name  hb* ) 	3.0  0.6  0.6
assign (segid "a   " and resid  64 and name  hn ) (segid * and resid  63 and name  ha  ) 	2.4  0.6  0.6
assign (segid "a   " and resid  64 and name  hn ) (segid * and resid  63 and name  hb* ) 	3.0  0.6  0.6
assign (segid "a   " and resid  65 and name  hn ) (segid * and resid  64 and name  ha  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  65 and name  hn ) (segid * and resid  65 and name  hb* ) 	2.4  0.6  0.6
assign (segid "a   " and resid  65 and name  hn ) (segid * and resid  64 and name  hb* ) 	3.0  1.0  1.0
assign (segid "a   " and resid  66 and name  hn ) (segid * and resid  65 and name  ha  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  66 and name  hn ) (segid * and resid  65 and name  hb* ) 	4.0  1.0  1.0
assign (segid "a   " and resid  66 and name  hn ) (segid * and resid  63 and name he2* ) 	4.0  1.0  1.0
assign (segid "a   " and resid  68 and name  hn ) (segid * and resid  68 and name  hd* ) 	3.0  0.6  0.6
assign (segid "a   " and resid  69 and name  hn ) (segid * and resid  68 and name  ha  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  73 and name  hn ) (segid * and resid  73 and name hg1* ) 	3.0  0.6  0.6
assign (segid "a   " and resid  73 and name  hn ) (segid * and resid  73 and name  ha  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  73 and name  hn ) (segid * and resid  73 and name  hb  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  73 and name  hn ) (segid * and resid  73 and name  hd* ) 	3.0  0.6  0.6
assign (segid "a   " and resid  74 and name  hn ) (segid * and resid  75 and name  hn  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  74 and name  hn ) (segid * and resid  73 and name  ha  ) 	4.0  1.0  1.0
assign (segid "a   " and resid  74 and name  hn ) (segid * and resid  73 and name  hb  ) 	4.0  1.0  1.0
assign (segid "a   " and resid  75 and name  hn ) (segid * and resid  72 and name  ha  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  75 and name  hn ) (segid * and resid  74 and name  hn  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  75 and name  hn ) (segid * and resid  75 and name  ha  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  75 and name  hn ) (segid * and resid  75 and name  hb1 ) 	3.0  0.6  0.6
assign (segid "a   " and resid  75 and name  hn ) (segid * and resid  75 and name  hb2 ) 	3.0  0.6  0.6
assign (segid "a   " and resid  75 and name  hn ) (segid * and resid  75 and name hd1* ) 	4.0  1.0  1.0
assign (segid "a   " and resid  75 and name  hn ) (segid * and resid  75 and name hd2* ) 	4.0  1.0  1.0
assign (segid "a   " and resid  76 and name  hn ) (segid * and resid  77 and name  hn  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  76 and name  hn ) (segid * and resid  76 and name  ha  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  76 and name  hn ) (segid * and resid  76 and name  hb* ) 	2.4  0.6  0.6
assign (segid "a   " and resid  77 and name  hn ) (segid * and resid  76 and name  hn  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  77 and name  hn ) (segid * and resid  73 and name  ha  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  77 and name  hn ) (segid * and resid  76 and name  hb  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  77 and name  hn ) (segid * and resid  73 and name hg1* ) 	3.0  0.6  0.6
assign (segid "a   " and resid  77 and name  hn ) (segid * and resid  78 and name  hd* ) 	4.0  1.0  1.0
assign (segid "a   " and resid  78 and name  hn ) (segid * and resid  79 and name  hn  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  78 and name  hn ) (segid * and resid  75 and name  ha  ) 	4.0  1.0  1.0
assign (segid "a   " and resid  78 and name  hn ) (segid * and resid  78 and name  hb* ) 	3.0  0.6  0.6
assign (segid "a   " and resid  78 and name  hn ) (segid * and resid  77 and name  hb  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  79 and name  hn ) (segid * and resid  80 and name  hn  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  79 and name  hn ) (segid * and resid  78 and name  hn  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  79 and name  hn ) (segid * and resid  78 and name  hd* ) 	4.0  1.0  1.0
assign (segid "a   " and resid  79 and name  hn ) (segid * and resid  75 and name  ha  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  79 and name  hn ) (segid * and resid  78 and name  hb* ) 	3.0  0.6  0.6
assign (segid "a   " and resid  79 and name  hn ) (segid * and resid  79 and name  ha* ) 	3.0  0.6  0.6
assign (segid "a   " and resid  80 and name  hn ) (segid * and resid  79 and name  ha* ) 	3.0  0.6  0.6
assign (segid "a   " and resid  80 and name  hn ) (segid * and resid  80 and name  hb  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  81 and name  hn ) (segid * and resid  80 and name  hn  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  81 and name  hn ) (segid * and resid  81 and name  ha  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  81 and name  hn ) (segid * and resid  80 and name  ha  ) 	4.0  1.0  1.0
assign (segid "a   " and resid  82 and name  hn ) (segid * and resid  83 and name  hn  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  82 and name  hn ) (segid * and resid  82 and name  ha  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  82 and name  hn ) (segid * and resid  82 and name  hb* ) 	2.4  0.6  0.6
assign (segid "a   " and resid  83 and name  hn ) (segid * and resid  84 and name  hn  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  83 and name  hn ) (segid * and resid  82 and name  hb* ) 	4.0  1.0  1.0
assign (segid "a   " and resid  83 and name  hn ) (segid * and resid  82 and name  hn  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  83 and name  hn ) (segid * and resid  83 and name  ha* ) 	2.4  0.6  0.6
assign (segid "a   " and resid  84 and name  hn ) (segid * and resid  85 and name  hn  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  84 and name  hn ) (segid * and resid  84 and name hg2* ) 	2.4  0.6  0.6
assign (segid "a   " and resid  84 and name  hn ) (segid * and resid  83 and name  hn  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  84 and name  hn ) (segid * and resid  84 and name  ha  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  84 and name  hn ) (segid * and resid  84 and name  hb  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  84 and name  hn ) (segid * and resid  84 and name hg1* ) 	4.0  1.0  1.0
assign (segid "a   " and resid  84 and name  hn ) (segid * and resid  80 and name  ha  ) 	4.0  1.0  1.0
assign (segid "a   " and resid  85 and name  hn ) (segid * and resid  84 and name  hn  ) 	4.0  1.0  1.0
assign (segid "a   " and resid  85 and name  hn ) (segid * and resid  86 and name  hn  ) 	4.0  1.0  1.0
assign (segid "a   " and resid  85 and name  hn ) (segid * and resid  84 and name  hb  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  85 and name  hn ) (segid * and resid  85 and name  hb  ) 	2.4  0.6  0.6
assign (segid "a   " and resid  86 and name  hn ) (segid * and resid  87 and name  hn  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  86 and name  hn ) (segid * and resid  85 and name  hn  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  86 and name  hn ) (segid * and resid  85 and name  hb  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  86 and name  hn ) (segid * and resid  86 and name  ha* ) 	2.4  0.6  0.6
assign (segid "a   " and resid  87 and name  hn ) (segid * and resid  87 and name  hg1 ) 	2.4  0.6  0.6
assign (segid "a   " and resid  87 and name  hn ) (segid * and resid  87 and name  hb  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  87 and name  hn ) (segid * and resid  87 and name  ha  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  87 and name  hn ) (segid * and resid  83 and name  ha* ) 	4.0  1.0  1.0
assign (segid "a   " and resid  88 and name  hn ) (segid * and resid  89 and name  hn  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  88 and name  hn ) (segid * and resid  87 and name  hg1 ) 	4.0  1.0  1.0
assign (segid "a   " and resid  88 and name  hn ) (segid * and resid  87 and name  hb  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  88 and name  hn ) (segid * and resid  87 and name  hn  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  88 and name  hn ) (segid * and resid  88 and name  ha  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  88 and name  hn ) (segid * and resid  88 and name  hb  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  89 and name  hn ) (segid * and resid  88 and name  hn  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  89 and name  hn ) (segid * and resid  90 and name  hn  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  89 and name  hn ) (segid * and resid  89 and name  ha  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  89 and name  hn ) (segid * and resid  85 and name  ha  ) 	4.0  1.0  1.0
assign (segid "a   " and resid  89 and name  hn ) (segid * and resid  89 and name  hb* ) 	2.4  0.6  0.6
assign (segid "a   " and resid  89 and name  hn ) (segid * and resid  89 and name  hg  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  90 and name  hn ) (segid * and resid  90 and name  ha  ) 	4.0  1.0  1.0
assign (segid "a   " and resid  90 and name  hn ) (segid * and resid  90 and name  hb* ) 	3.0  0.6  0.6
assign (segid "a   " and resid  90 and name  hn ) (segid * and resid  89 and name  hb* ) 	4.0  1.0  1.0
assign (segid "a   " and resid  90 and name  hn ) (segid * and resid  89 and name  hg  ) 	2.4  0.6  0.6
assign (segid "a   " and resid  91 and name  hn ) (segid * and resid  91 and name  ha  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  91 and name  hn ) (segid * and resid  91 and name  hb  ) 	2.4  0.6  0.6
assign (segid "a   " and resid  92 and name  hn ) (segid * and resid  91 and name  hn  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  92 and name  hn ) (segid * and resid  92 and name  hg  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  92 and name  hn ) (segid * and resid  88 and name  ha  ) 	4.0  1.0  1.0
assign (segid "a   " and resid  92 and name  hn ) (segid * and resid  92 and name  hb* ) 	2.4  0.6  0.6
assign (segid "a   " and resid  92 and name  hn ) (segid * and resid  91 and name  hb  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  93 and name  hn ) (segid * and resid  94 and name  hn  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  93 and name  hn ) (segid * and resid  92 and name  hg  ) 	4.0  1.0  1.0
assign (segid "a   " and resid  93 and name  hn ) (segid * and resid  93 and name  hb* ) 	2.4  0.6  0.6
assign (segid "a   " and resid  93 and name  hn ) (segid * and resid  92 and name  hb* ) 	3.0  0.6  0.6
assign (segid "a   " and resid  93 and name  hn ) (segid * and resid  93 and name  ha  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  93 and name  hn ) (segid * and resid  93 and name  hd* ) 	4.0  1.0  1.0
assign (segid "a   " and resid  94 and name  hn ) (segid * and resid  93 and name  hb* ) 	3.0  0.6  0.6
assign (segid "a   " and resid  94 and name  hn ) (segid * and resid  93 and name  hn  ) 	4.0  1.0  1.0
assign (segid "a   " and resid  94 and name  hn ) (segid * and resid  93 and name  ha  ) 	4.0  1.0  1.0
assign (segid "a   " and resid  94 and name  hn ) (segid * and resid  94 and name  ha* ) 	2.4  0.6  0.6
assign (segid "a   " and resid  95 and name  hn ) (segid * and resid  96 and name  hn  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  95 and name  hn ) (segid * and resid  91 and name  ha  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  95 and name  hn ) (segid * and resid  95 and name  hb  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  95 and name  hn ) (segid * and resid  96 and name  hg* ) 	3.0  0.6  0.6
assign (segid "a   " and resid  95 and name  hn ) (segid * and resid  95 and name hg1* ) 	4.0  1.0  1.0
assign (segid "a   " and resid  96 and name  hn ) (segid * and resid  97 and name  hn  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  96 and name  hn ) (segid * and resid  95 and name  hd* ) 	4.0  1.0  1.0
assign (segid "a   " and resid  96 and name  hn ) (segid * and resid  95 and name  hn  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  96 and name  hn ) (segid * and resid  96 and name  ha  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  96 and name  hn ) (segid * and resid  96 and name  hb* ) 	3.0  0.6  0.6
assign (segid "a   " and resid  97 and name  hn ) (segid * and resid  96 and name  hn  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  97 and name  hn ) (segid * and resid  97 and name  ha  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  97 and name  hn ) (segid * and resid  97 and name  hb1 ) 	3.0  0.6  0.6
assign (segid "a   " and resid  97 and name  hn ) (segid * and resid  97 and name  hb2 ) 	3.0  0.6  0.6
assign (segid "a   " and resid  97 and name  hn ) (segid * and resid  97 and name  hg* ) 	4.0  1.0  1.0
assign (segid "a   " and resid  98 and name  hn ) (segid * and resid  95 and name  ha  ) 	4.0  1.0  1.0
assign (segid "a   " and resid  98 and name  hn ) (segid * and resid  98 and name  hb* ) 	2.4  0.6  0.6
assign (segid "a   " and resid  98 and name  hn ) (segid * and resid  99 and name  hn  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  98 and name  hn ) (segid * and resid  97 and name  hn  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  98 and name  hn ) (segid * and resid  98 and name  ha  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  98 and name  hn ) (segid * and resid  97 and name  ha  ) 	4.0  1.0  1.0
assign (segid "a   " and resid  98 and name  hn ) (segid * and resid  98 and name  hg  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  98 and name  hn ) (segid * and resid  98 and name  hd* ) 	4.0  1.0  1.0
assign (segid "a   " and resid  99 and name  hn ) (segid * and resid  96 and name  ha  ) 	4.0  1.0  1.0
assign (segid "a   " and resid  99 and name  hn ) (segid * and resid  98 and name  hn  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  99 and name  hn ) (segid * and resid 100 and name  hn  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  99 and name  hn ) (segid * and resid  98 and name  ha  ) 	3.0  0.6  0.6
assign (segid "a   " and resid  99 and name  hn ) (segid * and resid  99 and name  hb  ) 	3.0  0.6  0.6
assign (segid "a   " and resid 100 and name  hn ) (segid * and resid 100 and name  hg* ) 	4.0  1.0  1.0
assign (segid "a   " and resid 100 and name  hn ) (segid * and resid 100 and name  hb* ) 	3.0  0.6  0.6
assign (segid "a   " and resid 101 and name  hn ) (segid * and resid 100 and name  ha  ) 	2.4  0.6  0.6
assign (segid "a   " and resid 101 and name  hn ) (segid * and resid 101 and name  ha  ) 	3.0  0.6  0.6
assign (segid "a   " and resid 101 and name  hn ) (segid * and resid 101 and name  hb* ) 	4.0  1.0  1.0
assign (segid "a   " and resid 101 and name  hn ) (segid * and resid 101 and name  hg* ) 	4.0  1.0  1.0
assign (segid "a   " and resid 101 and name  hn ) (segid * and resid 100 and name  hd* ) 	4.0  1.0  1.0


!	SIDECHAIN NH NOES

assign (segid "a   " and resid  63 and name he2*) (segid * and resid  63 and name  hb* ) 	3.0  0.6  0.6
assign (segid "a   " and resid  96 and name  he ) (segid * and resid  96 and name  hn  ) 	4.0  1.0  1.0
assign (segid "a   " and resid  96 and name  he ) (segid * and resid  93 and name  ha  ) 	3.0  0.6  0.6

!	MAIN CHAIN NH NOES (other monomer)

assign (segid "b   " and resid  63 and name  hn ) (segid * and resid  62 and name  ha  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  63 and name  hn ) (segid * and resid  63 and name  hb* ) 	3.0  0.6  0.6
assign (segid "b   " and resid  64 and name  hn ) (segid * and resid  63 and name  ha  ) 	2.4  0.6  0.6
assign (segid "b   " and resid  64 and name  hn ) (segid * and resid  63 and name  hb* ) 	3.0  0.6  0.6
assign (segid "b   " and resid  65 and name  hn ) (segid * and resid  64 and name  ha  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  65 and name  hn ) (segid * and resid  65 and name  hb* ) 	2.4  0.6  0.6
assign (segid "b   " and resid  65 and name  hn ) (segid * and resid  64 and name  hb* ) 	4.0  1.0  1.0
assign (segid "b   " and resid  66 and name  hn ) (segid * and resid  65 and name  ha  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  66 and name  hn ) (segid * and resid  65 and name  hb* ) 	4.0  1.0  1.0
assign (segid "b   " and resid  66 and name  hn ) (segid * and resid  63 and name he2* ) 	4.0  1.0  1.0
assign (segid "b   " and resid  68 and name  hn ) (segid * and resid  68 and name  hd* ) 	3.0  0.6  0.6
assign (segid "b   " and resid  69 and name  hn ) (segid * and resid  68 and name  ha  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  73 and name  hn ) (segid * and resid  73 and name hg1* ) 	3.0  0.6  0.6
assign (segid "b   " and resid  73 and name  hn ) (segid * and resid  73 and name  ha  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  73 and name  hn ) (segid * and resid  73 and name  hb  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  73 and name  hn ) (segid * and resid  73 and name  hd* ) 	3.0  0.6  0.6
assign (segid "b   " and resid  74 and name  hn ) (segid * and resid  75 and name  hn  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  74 and name  hn ) (segid * and resid  73 and name  ha  ) 	4.0  1.0  1.0
assign (segid "b   " and resid  74 and name  hn ) (segid * and resid  73 and name  hb  ) 	4.0  1.0  1.0
assign (segid "b   " and resid  75 and name  hn ) (segid * and resid  72 and name  ha  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  75 and name  hn ) (segid * and resid  74 and name  hn  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  75 and name  hn ) (segid * and resid  75 and name  ha  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  75 and name  hn ) (segid * and resid  75 and name  hb1 ) 	3.0  0.6  0.6
assign (segid "b   " and resid  75 and name  hn ) (segid * and resid  75 and name  hb2 ) 	3.0  0.6  0.6
assign (segid "b   " and resid  75 and name  hn ) (segid * and resid  75 and name hd1* ) 	4.0  1.0  1.0
assign (segid "b   " and resid  75 and name  hn ) (segid * and resid  75 and name hd2* ) 	4.0  1.0  1.0
assign (segid "b   " and resid  76 and name  hn ) (segid * and resid  77 and name  hn  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  76 and name  hn ) (segid * and resid  76 and name  ha  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  76 and name  hn ) (segid * and resid  76 and name  hb* ) 	2.4  0.6  0.6
assign (segid "b   " and resid  77 and name  hn ) (segid * and resid  76 and name  hn  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  77 and name  hn ) (segid * and resid  73 and name  ha  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  77 and name  hn ) (segid * and resid  76 and name  hb  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  77 and name  hn ) (segid * and resid  73 and name hg1* ) 	3.0  0.6  0.6
assign (segid "b   " and resid  77 and name  hn ) (segid * and resid  78 and name  hd* ) 	4.0  1.0  1.0
assign (segid "b   " and resid  78 and name  hn ) (segid * and resid  79 and name  hn  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  78 and name  hn ) (segid * and resid  75 and name  ha  ) 	4.0  1.0  1.0
assign (segid "b   " and resid  78 and name  hn ) (segid * and resid  78 and name  hb* ) 	3.0  0.6  0.6
assign (segid "b   " and resid  78 and name  hn ) (segid * and resid  77 and name  hb  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  79 and name  hn ) (segid * and resid  80 and name  hn  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  79 and name  hn ) (segid * and resid  78 and name  hn  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  79 and name  hn ) (segid * and resid  78 and name  hd* ) 	4.0  1.0  1.0
assign (segid "b   " and resid  79 and name  hn ) (segid * and resid  75 and name  ha  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  79 and name  hn ) (segid * and resid  78 and name  hb* ) 	3.0  0.6  0.6
assign (segid "b   " and resid  79 and name  hn ) (segid * and resid  79 and name  ha* ) 	3.0  0.6  0.6
assign (segid "b   " and resid  80 and name  hn ) (segid * and resid  79 and name  ha* ) 	3.0  0.6  0.6
assign (segid "b   " and resid  80 and name  hn ) (segid * and resid  80 and name  hb  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  81 and name  hn ) (segid * and resid  80 and name  hn  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  81 and name  hn ) (segid * and resid  81 and name  ha  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  81 and name  hn ) (segid * and resid  80 and name  ha  ) 	4.0  1.0  1.0
assign (segid "b   " and resid  82 and name  hn ) (segid * and resid  83 and name  hn  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  82 and name  hn ) (segid * and resid  82 and name  ha  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  82 and name  hn ) (segid * and resid  82 and name  hb* ) 	2.4  0.6  0.6
assign (segid "b   " and resid  83 and name  hn ) (segid * and resid  84 and name  hn  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  83 and name  hn ) (segid * and resid  82 and name  hb* ) 	4.0  1.0  1.0
assign (segid "b   " and resid  83 and name  hn ) (segid * and resid  82 and name  hn  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  83 and name  hn ) (segid * and resid  83 and name  ha* ) 	2.4  0.6  0.6
assign (segid "b   " and resid  84 and name  hn ) (segid * and resid  85 and name  hn  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  84 and name  hn ) (segid * and resid  84 and name hg2* ) 	2.4  0.6  0.6
assign (segid "b   " and resid  84 and name  hn ) (segid * and resid  83 and name  hn  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  84 and name  hn ) (segid * and resid  84 and name  ha  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  84 and name  hn ) (segid * and resid  84 and name  hb  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  84 and name  hn ) (segid * and resid  84 and name hg1* ) 	4.0  1.0  1.0
assign (segid "b   " and resid  84 and name  hn ) (segid * and resid  80 and name  ha  ) 	4.0  1.0  1.0
assign (segid "b   " and resid  85 and name  hn ) (segid * and resid  84 and name  hn  ) 	4.0  1.0  1.0
assign (segid "b   " and resid  85 and name  hn ) (segid * and resid  86 and name  hn  ) 	4.0  1.0  1.0
assign (segid "b   " and resid  85 and name  hn ) (segid * and resid  84 and name  hb  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  85 and name  hn ) (segid * and resid  85 and name  hb  ) 	2.4  0.6  0.6
assign (segid "b   " and resid  86 and name  hn ) (segid * and resid  87 and name  hn  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  86 and name  hn ) (segid * and resid  85 and name  hn  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  86 and name  hn ) (segid * and resid  85 and name  hb  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  86 and name  hn ) (segid * and resid  86 and name  ha* ) 	2.4  0.6  0.6
assign (segid "b   " and resid  87 and name  hn ) (segid * and resid  87 and name  hg1 ) 	2.4  0.6  0.6
assign (segid "b   " and resid  87 and name  hn ) (segid * and resid  87 and name  hb  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  87 and name  hn ) (segid * and resid  87 and name  ha  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  87 and name  hn ) (segid * and resid  83 and name  ha* ) 	4.0  1.0  1.0
assign (segid "b   " and resid  88 and name  hn ) (segid * and resid  89 and name  hn  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  88 and name  hn ) (segid * and resid  87 and name  hg1 ) 	4.0  1.0  1.0
assign (segid "b   " and resid  88 and name  hn ) (segid * and resid  87 and name  hb  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  88 and name  hn ) (segid * and resid  87 and name  hn  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  88 and name  hn ) (segid * and resid  88 and name  ha  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  88 and name  hn ) (segid * and resid  88 and name  hb  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  89 and name  hn ) (segid * and resid  88 and name  hn  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  89 and name  hn ) (segid * and resid  90 and name  hn  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  89 and name  hn ) (segid * and resid  89 and name  ha  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  89 and name  hn ) (segid * and resid  85 and name  ha  ) 	4.0  1.0  1.0
assign (segid "b   " and resid  89 and name  hn ) (segid * and resid  89 and name  hb* ) 	2.4  0.6  0.6
assign (segid "b   " and resid  89 and name  hn ) (segid * and resid  89 and name  hg  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  90 and name  hn ) (segid * and resid  90 and name  ha  ) 	4.0  1.0  1.0
assign (segid "b   " and resid  90 and name  hn ) (segid * and resid  90 and name  hb* ) 	3.0  0.6  0.6
assign (segid "b   " and resid  90 and name  hn ) (segid * and resid  89 and name  hb* ) 	4.0  1.0  1.0
assign (segid "b   " and resid  90 and name  hn ) (segid * and resid  89 and name  hg  ) 	2.4  0.6  0.6
assign (segid "b   " and resid  91 and name  hn ) (segid * and resid  91 and name  ha  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  91 and name  hn ) (segid * and resid  91 and name  hb  ) 	2.4  0.6  0.6
assign (segid "b   " and resid  92 and name  hn ) (segid * and resid  91 and name  hn  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  92 and name  hn ) (segid * and resid  92 and name  hg  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  92 and name  hn ) (segid * and resid  88 and name  ha  ) 	4.0  1.0  1.0
assign (segid "b   " and resid  92 and name  hn ) (segid * and resid  92 and name  hb* ) 	2.4  0.6  0.6
assign (segid "b   " and resid  92 and name  hn ) (segid * and resid  91 and name  hb  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  93 and name  hn ) (segid * and resid  94 and name  hn  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  93 and name  hn ) (segid * and resid  92 and name  hg  ) 	4.0  1.0  1.0
assign (segid "b   " and resid  93 and name  hn ) (segid * and resid  93 and name  hb* ) 	2.4  0.6  0.6
assign (segid "b   " and resid  93 and name  hn ) (segid * and resid  92 and name  hb* ) 	3.0  0.6  0.6
assign (segid "b   " and resid  93 and name  hn ) (segid * and resid  93 and name  ha  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  93 and name  hn ) (segid * and resid  93 and name  hd* ) 	4.0  1.0  1.0
assign (segid "b   " and resid  94 and name  hn ) (segid * and resid  93 and name  hb* ) 	3.0  0.6  0.6
assign (segid "b   " and resid  94 and name  hn ) (segid * and resid  93 and name  hn  ) 	4.0  1.0  1.0
assign (segid "b   " and resid  94 and name  hn ) (segid * and resid  93 and name  ha  ) 	4.0  1.0  1.0
assign (segid "b   " and resid  94 and name  hn ) (segid * and resid  94 and name  ha* ) 	2.4  0.6  0.6
assign (segid "b   " and resid  95 and name  hn ) (segid * and resid  96 and name  hn  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  95 and name  hn ) (segid * and resid  91 and name  ha  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  95 and name  hn ) (segid * and resid  95 and name  hb  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  95 and name  hn ) (segid * and resid  96 and name  hg* ) 	3.0  0.6  0.6
assign (segid "b   " and resid  95 and name  hn ) (segid * and resid  95 and name hg1* ) 	4.0  1.0  1.0
assign (segid "b   " and resid  96 and name  hn ) (segid * and resid  97 and name  hn  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  96 and name  hn ) (segid * and resid  95 and name  hd* ) 	4.0  1.0  1.0
assign (segid "b   " and resid  96 and name  hn ) (segid * and resid  95 and name  hn  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  96 and name  hn ) (segid * and resid  96 and name  ha  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  96 and name  hn ) (segid * and resid  96 and name  hb* ) 	3.0  0.6  0.6
assign (segid "b   " and resid  97 and name  hn ) (segid * and resid  96 and name  hn  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  97 and name  hn ) (segid * and resid  97 and name  ha  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  97 and name  hn ) (segid * and resid  97 and name  hb1 ) 	3.0  0.6  0.6
assign (segid "b   " and resid  97 and name  hn ) (segid * and resid  97 and name  hb2 ) 	3.0  0.6  0.6
assign (segid "b   " and resid  97 and name  hn ) (segid * and resid  97 and name  hg* ) 	4.0  1.0  1.0
assign (segid "b   " and resid  98 and name  hn ) (segid * and resid  95 and name  ha  ) 	4.0  1.0  1.0
assign (segid "b   " and resid  98 and name  hn ) (segid * and resid  98 and name  hb* ) 	2.4  0.6  0.6
assign (segid "b   " and resid  98 and name  hn ) (segid * and resid  99 and name  hn  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  98 and name  hn ) (segid * and resid  97 and name  hn  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  98 and name  hn ) (segid * and resid  98 and name  ha  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  98 and name  hn ) (segid * and resid  97 and name  ha  ) 	4.0  1.0  1.0
assign (segid "b   " and resid  98 and name  hn ) (segid * and resid  98 and name  hg  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  98 and name  hn ) (segid * and resid  98 and name  hd* ) 	4.0  1.0  1.0
assign (segid "b   " and resid  99 and name  hn ) (segid * and resid  96 and name  ha  ) 	4.0  1.0  1.0
assign (segid "b   " and resid  99 and name  hn ) (segid * and resid  98 and name  hn  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  99 and name  hn ) (segid * and resid 100 and name  hn  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  99 and name  hn ) (segid * and resid  98 and name  ha  ) 	3.0  0.6  0.6
assign (segid "b   " and resid  99 and name  hn ) (segid * and resid  99 and name  hb  ) 	3.0  0.6  0.6
assign (segid "b   " and resid 100 and name  hn ) (segid * and resid 100 and name  hg* ) 	4.0  1.0  1.0
assign (segid "b   " and resid 100 and name  hn ) (segid * and resid 100 and name  hb* ) 	3.0  0.6  0.6
assign (segid "b   " and resid 101 and name  hn ) (segid * and resid 100 and name  ha  ) 	2.4  0.6  0.6
assign (segid "b   " and resid 101 and name  hn ) (segid * and resid 101 and name  ha  ) 	3.0  0.6  0.6
assign (segid "b   " and resid 101 and name  hn ) (segid * and resid 101 and name  hb* ) 	4.0  1.0  1.0
assign (segid "b   " and resid 101 and name  hn ) (segid * and resid 101 and name  hg* ) 	4.0  1.0  1.0
assign (segid "b   " and resid 101 and name  hn ) (segid * and resid 100 and name  hd* ) 	4.0  1.0  1.0

!	SIDECHAIN NH NOES

assign (segid "b   " and resid  63 and name he2*) (segid * and resid  63 and name  hb* ) 	3.0  0.6  0.6
assign (segid "b   " and resid  96 and name  he ) (segid * and resid  96 and name  hn  ) 	4.0  1.0  1.0
assign (segid "b   " and resid  96 and name  he ) (segid * and resid  93 and name  ha  ) 	3.0  0.6  0.6

remarks	  intermonomer noes only, from 3D NOESY-HSQCs
remarks   unlike other NOEs, restraints are unambiguously inter-monomer

assign (segid "a   " and resid  80 and name hg2* ) (segid "b   " and resid  79 and name  hn  ) 	2.5  0.5  1.0   
assign (segid "b   " and resid  80 and name hg2* ) (segid "a   " and resid  79 and name  hn  ) 	2.5  0.5  1.0   

assign (segid "a   " and resid  75 and name hd1* ) (segid "b   " and resid  76 and name  hb  ) 	3.2  0.6  0.6   
assign (segid "b   " and resid  75 and name hd1* ) (segid "a   " and resid  76 and name  hb  ) 	3.2  0.6  0.6   

assign (segid "a   " and resid  84 and name hg2* ) (segid "b   " and resid  87 and name  hg1 ) 	2.2  0.3  0.6	
assign (segid "b   " and resid  84 and name hg2* ) (segid "a   " and resid  87 and name  hg1 ) 	2.2  0.3  0.6	

assign (segid "a   " and resid  84 and name hg2* ) (segid "b   " and resid  83 and name  ha* )  2.4  0.3  0.6
assign (segid "b   " and resid  84 and name hg2* ) (segid "a   " and resid  83 and name  ha* )  2.4  0.3  0.6

assign (segid "a   " and resid  87 and name hg2* ) (segid "b   " and resid  88 and name hg1* ) 	2.4  0.3  0.6   
assign (segid "b   " and resid  87 and name hg2* ) (segid "a   " and resid  88 and name hg1* ) 	2.4  0.3  0.6   

assign (segid "a   " and resid  84 and name  ha  ) (segid * and resid  87 and name  hg1 ) 	2.4  0.3  0.6	
assign (segid "b   " and resid  84 and name  ha  ) (segid * and resid  87 and name  hg1 ) 	2.4  0.3  0.6	

remarks	     sidechain dihedral restraints derived from J-couplings measured using  
remarks	     2D constant-time spin-echo difference experiments

restraints
   dihedral

!	chi-1 restraints

	assign (segid "a   " and resid 80 and name c) (segid "a   " and resid 80 and name ca)
	  (segid "a   " and resid 80 and name cb) (segid "a   " and resid 80 and name cg2)  1 180 15 2
	assign (segid "a   " and resid 80 and name n) (segid "a   " and resid 80 and name ca)
	  (segid "a   " and resid 80 and name cb) (segid "a   " and resid 80 and name cg1)  1 180 15 2
	assign (segid "a   " and resid 84 and name c) (segid "a   " and resid 84 and name ca)
	  (segid "a   " and resid 84 and name cb) (segid "a   " and resid 84 and name cg2)  1 180 15 2
	assign (segid "a   " and resid 84 and name n) (segid "a   " and resid 84 and name ca)
	  (segid "a   " and resid 84 and name cb) (segid "a   " and resid 84 and name cg1)  1 180 15 2
	assign (segid "a   " and resid 87 and name n) (segid "a   " and resid 87 and name ca)
	  (segid "a   " and resid 87 and name cb) (segid "a   " and resid 87 and name cg2)  1 180 15 2
	assign (segid "a   " and resid 81 and name c) (segid "a   " and resid 81 and name ca)
	  (segid "a   " and resid 81 and name cb) (segid "a   " and resid 81 and name cg)  1 180 15 2
	assign (segid "a   " and resid 76 and name n) (segid "a   " and resid 76 and name ca)
	  (segid "a   " and resid 76 and name cb) (segid "a   " and resid 76 and name cg2)  1 180 15 2
	assign (segid "a   " and resid 88 and name n) (segid "a   " and resid 88 and name ca)
	  (segid "a   " and resid 88 and name cb) (segid "a   " and resid 88 and name cg2)  1 180 15 2
	assign (segid "a   " and resid 91 and name n) (segid "a   " and resid 91 and name ca)
	  (segid "a   " and resid 91 and name cb) (segid "a   " and resid 91 and name cg2)  1 180 15 2

!	chi-2 restraints

	assign (segid "a   " and resid 76 and name ca) (segid "a   " and resid 76 and name cb)
	  (segid "a   " and resid 76 and name cg1) (segid "a   " and resid 76 and name cd1)  1 180 15 2
	assign (segid "a   " and resid 88 and name ca) (segid "a   " and resid 88 and name cb)
	  (segid "a   " and resid 88 and name cg1) (segid "a   " and resid 88 and name cd1)  1 180 15 2
	assign (segid "a   " and resid 91 and name ca) (segid "a   " and resid 91 and name cb)
	  (segid "a   " and resid 91 and name cg1) (segid "a   " and resid 91 and name cd1)  1 180 15 2
	assign (segid "a   " and resid 75 and name ca) (segid "a   " and resid 75 and name cb)
	  (segid "a   " and resid 75 and name cg ) (segid "a   " and resid 75 and name cd1)  1 180 15 2



!	chi-1 restraints

	assign (segid "b   " and resid 80 and name c) (segid "b   " and resid 80 and name ca)
	  (segid "b   " and resid 80 and name cb) (segid "b   " and resid 80 and name cg2)  1 180 15 2
	assign (segid "b   " and resid 80 and name n) (segid "b   " and resid 80 and name ca)
	  (segid "b   " and resid 80 and name cb) (segid "b   " and resid 80 and name cg1)  1 180 15 2
	assign (segid "b   " and resid 84 and name c) (segid "b   " and resid 84 and name ca)
	  (segid "b   " and resid 84 and name cb) (segid "b   " and resid 84 and name cg2)  1 180 15 2
	assign (segid "b   " and resid 84 and name n) (segid "b   " and resid 84 and name ca)
	  (segid "b   " and resid 84 and name cb) (segid "b   " and resid 84 and name cg1)  1 180 15 2
	assign (segid "b   " and resid 87 and name n) (segid "b   " and resid 87 and name ca)
	  (segid "b   " and resid 87 and name cb) (segid "b   " and resid 87 and name cg2)  1 180 15 2
	assign (segid "b   " and resid 81 and name c) (segid "b   " and resid 81 and name ca)
	  (segid "b   " and resid 81 and name cb) (segid "b   " and resid 81 and name cg)  1 180 15 2
	assign (segid "b   " and resid 76 and name n) (segid "b   " and resid 76 and name ca)
	  (segid "b   " and resid 76 and name cb) (segid "b   " and resid 76 and name cg2)  1 180 15 2
	assign (segid "b   " and resid 88 and name n) (segid "b   " and resid 88 and name ca)
	  (segid "b   " and resid 88 and name cb) (segid "b   " and resid 88 and name cg2)  1 180 15 2
	assign (segid "b   " and resid 91 and name n) (segid "b   " and resid 91 and name ca)
	  (segid "b   " and resid 91 and name cb) (segid "b   " and resid 91 and name cg2)  1 180 15 2

!	chi-2 restraints

	assign (segid "b   " and resid 76 and name ca) (segid "b   " and resid 76 and name cb)
	  (segid "b   " and resid 76 and name cg1) (segid "b   " and resid 76 and name cd1)  1 180 15 2
	assign (segid "b   " and resid 88 and name ca) (segid "b   " and resid 88 and name cb)
	  (segid "b   " and resid 88 and name cg1) (segid "b   " and resid 88 and name cd1)  1 180 15 2
	assign (segid "b   " and resid 91 and name ca) (segid "b   " and resid 91 and name cb)
	  (segid "b   " and resid 91 and name cg1) (segid "b   " and resid 91 and name cd1)  1 180 15 2
	assign (segid "b   " and resid 75 and name ca) (segid "b   " and resid 75 and name cb)
	  (segid "b   " and resid 75 and name cg ) (segid "b   " and resid 75 and name cd1)  1 180 15 2

end

remarks O::HN distance restraint for i -> i-4 H bonds
assign (segid "a   " and resid 72 and name o)  (segid "a   " and resid 76 and name hn)  1.9   0.1  0.1
assign (segid "a   " and resid 73 and name o)  (segid "a   " and resid 77 and name hn)  1.9   0.1  0.1
assign (segid "a   " and resid 74 and name o)  (segid "a   " and resid 78 and name hn)  1.9   0.1  0.1
assign (segid "a   " and resid 75 and name o)  (segid "a   " and resid 79 and name hn)  1.9   0.1  0.1
assign (segid "a   " and resid 76 and name o)  (segid "a   " and resid 80 and name hn)  1.9   0.1  0.1
assign (segid "a   " and resid 77 and name o)  (segid "a   " and resid 81 and name hn)  1.9   0.1  0.1
assign (segid "a   " and resid 78 and name o)  (segid "a   " and resid 82 and name hn)  1.9   0.1  0.1
assign (segid "a   " and resid 79 and name o)  (segid "a   " and resid 83 and name hn)  1.9   0.1  0.1
assign (segid "a   " and resid 80 and name o)  (segid "a   " and resid 84 and name hn)  1.9   0.1  0.1
assign (segid "a   " and resid 81 and name o)  (segid "a   " and resid 85 and name hn)  1.9   0.1  0.1
assign (segid "a   " and resid 82 and name o)  (segid "a   " and resid 86 and name hn)  1.9   0.1  0.1
assign (segid "a   " and resid 83 and name o)  (segid "a   " and resid 87 and name hn)  1.9   0.1  0.1
assign (segid "a   " and resid 84 and name o)  (segid "a   " and resid 88 and name hn)  1.9   0.1  0.1
assign (segid "a   " and resid 85 and name o)  (segid "a   " and resid 89 and name hn)  1.9   0.1  0.1
assign (segid "a   " and resid 86 and name o)  (segid "a   " and resid 90 and name hn)  1.9   0.1  0.1
assign (segid "a   " and resid 87 and name o)  (segid "a   " and resid 91 and name hn)  1.9   0.1  0.1
assign (segid "a   " and resid 88 and name o)  (segid "a   " and resid 92 and name hn)  1.9   0.1  0.1
assign (segid "a   " and resid 89 and name o)  (segid "a   " and resid 93 and name hn)  1.9   0.1  0.1
assign (segid "a   " and resid 90 and name o)  (segid "a   " and resid 94 and name hn)  1.9   0.1  0.1
assign (segid "a   " and resid 91 and name o)  (segid "a   " and resid 95 and name hn)  1.9   0.1  0.1
assign (segid "a   " and resid 92 and name o)  (segid "a   " and resid 96 and name hn)  1.9   0.1  0.1
assign (segid "a   " and resid 93 and name o)  (segid "a   " and resid 97 and name hn)  1.9   0.1  0.1
assign (segid "a   " and resid 94 and name o)  (segid "a   " and resid 98 and name hn)  1.9   0.1  0.1
assign (segid "a   " and resid 95 and name o)  (segid "a   " and resid 99 and name hn)  1.9   0.1  0.1


!remarks O..N distance restraint for i -> i-4 H bonds
assign (segid "a   " and resid 72 and name o)  (segid "a   " and resid 76 and name n)  2.9   0.15 0.15
assign (segid "a   " and resid 73 and name o)  (segid "a   " and resid 77 and name n)  2.9   0.15 0.15
assign (segid "a   " and resid 74 and name o)  (segid "a   " and resid 78 and name n)  2.9   0.15 0.15
assign (segid "a   " and resid 75 and name o)  (segid "a   " and resid 79 and name n)  2.9   0.15 0.15
assign (segid "a   " and resid 76 and name o)  (segid "a   " and resid 80 and name n)  2.9   0.15 0.15
assign (segid "a   " and resid 77 and name o)  (segid "a   " and resid 81 and name n)  2.9   0.15 0.15
assign (segid "a   " and resid 78 and name o)  (segid "a   " and resid 82 and name n)  2.9   0.15 0.15
assign (segid "a   " and resid 79 and name o)  (segid "a   " and resid 83 and name n)  2.9   0.15 0.15
assign (segid "a   " and resid 80 and name o)  (segid "a   " and resid 84 and name n)  2.9   0.15 0.15
assign (segid "a   " and resid 81 and name o)  (segid "a   " and resid 85 and name n)  2.9   0.15 0.15
assign (segid "a   " and resid 82 and name o)  (segid "a   " and resid 86 and name n)  2.9   0.15 0.15
assign (segid "a   " and resid 83 and name o)  (segid "a   " and resid 87 and name n)  2.9   0.15 0.15
assign (segid "a   " and resid 84 and name o)  (segid "a   " and resid 88 and name n)  2.9   0.15 0.15
assign (segid "a   " and resid 85 and name o)  (segid "a   " and resid 89 and name n)  2.9   0.15 0.15
assign (segid "a   " and resid 86 and name o)  (segid "a   " and resid 90 and name n)  2.9   0.15 0.15
assign (segid "a   " and resid 87 and name o)  (segid "a   " and resid 91 and name n)  2.9   0.15 0.15
assign (segid "a   " and resid 88 and name o)  (segid "a   " and resid 92 and name n)  2.9   0.15 0.15
assign (segid "a   " and resid 89 and name o)  (segid "a   " and resid 93 and name n)  2.9   0.15 0.15
assign (segid "a   " and resid 90 and name o)  (segid "a   " and resid 94 and name n)  2.9   0.15 0.15
assign (segid "a   " and resid 91 and name o)  (segid "a   " and resid 95 and name n)  2.9   0.15 0.15
assign (segid "a   " and resid 92 and name o)  (segid "a   " and resid 96 and name n)  2.9   0.15 0.15
assign (segid "a   " and resid 93 and name o)  (segid "a   " and resid 97 and name n)  2.9   0.15 0.15
assign (segid "a   " and resid 94 and name o)  (segid "a   " and resid 98 and name n)  2.9   0.15 0.15
assign (segid "a   " and resid 95 and name o)  (segid "a   " and resid 99 and name n)  2.9   0.15 0.15


remarks O::HN distance restraint for i -> i-4 H bonds
assign (segid "b   " and resid 72 and name o)  (segid "b   " and resid 76 and name hn)  1.9   0.1  0.1
assign (segid "b   " and resid 73 and name o)  (segid "b   " and resid 77 and name hn)  1.9   0.1  0.1
assign (segid "b   " and resid 74 and name o)  (segid "b   " and resid 78 and name hn)  1.9   0.1  0.1
assign (segid "b   " and resid 75 and name o)  (segid "b   " and resid 79 and name hn)  1.9   0.1  0.1
assign (segid "b   " and resid 76 and name o)  (segid "b   " and resid 80 and name hn)  1.9   0.1  0.1
assign (segid "b   " and resid 77 and name o)  (segid "b   " and resid 81 and name hn)  1.9   0.1  0.1
assign (segid "b   " and resid 78 and name o)  (segid "b   " and resid 82 and name hn)  1.9   0.1  0.1
assign (segid "b   " and resid 79 and name o)  (segid "b   " and resid 83 and name hn)  1.9   0.1  0.1
assign (segid "b   " and resid 80 and name o)  (segid "b   " and resid 84 and name hn)  1.9   0.1  0.1
assign (segid "b   " and resid 81 and name o)  (segid "b   " and resid 85 and name hn)  1.9   0.1  0.1
assign (segid "b   " and resid 82 and name o)  (segid "b   " and resid 86 and name hn)  1.9   0.1  0.1
assign (segid "b   " and resid 83 and name o)  (segid "b   " and resid 87 and name hn)  1.9   0.1  0.1
assign (segid "b   " and resid 84 and name o)  (segid "b   " and resid 88 and name hn)  1.9   0.1  0.1
assign (segid "b   " and resid 85 and name o)  (segid "b   " and resid 89 and name hn)  1.9   0.1  0.1
assign (segid "b   " and resid 86 and name o)  (segid "b   " and resid 90 and name hn)  1.9   0.1  0.1
assign (segid "b   " and resid 87 and name o)  (segid "b   " and resid 91 and name hn)  1.9   0.1  0.1
assign (segid "b   " and resid 88 and name o)  (segid "b   " and resid 92 and name hn)  1.9   0.1  0.1
assign (segid "b   " and resid 89 and name o)  (segid "b   " and resid 93 and name hn)  1.9   0.1  0.1
assign (segid "b   " and resid 90 and name o)  (segid "b   " and resid 94 and name hn)  1.9   0.1  0.1
assign (segid "b   " and resid 91 and name o)  (segid "b   " and resid 95 and name hn)  1.9   0.1  0.1
assign (segid "b   " and resid 92 and name o)  (segid "b   " and resid 96 and name hn)  1.9   0.1  0.1
assign (segid "b   " and resid 93 and name o)  (segid "b   " and resid 97 and name hn)  1.9   0.1  0.1
assign (segid "b   " and resid 94 and name o)  (segid "b   " and resid 98 and name hn)  1.9   0.1  0.1
assign (segid "b   " and resid 95 and name o)  (segid "b   " and resid 99 and name hn)  1.9   0.1  0.1

remarks O..N distance restraint for i -> i-4 H bonds
assign (segid "b   " and resid 72 and name o)  (segid "b   " and resid 76 and name n)  2.9   0.15 0.15
assign (segid "b   " and resid 73 and name o)  (segid "b   " and resid 77 and name n)  2.9   0.15 0.15
assign (segid "b   " and resid 74 and name o)  (segid "b   " and resid 78 and name n)  2.9   0.15 0.15
assign (segid "b   " and resid 75 and name o)  (segid "b   " and resid 79 and name n)  2.9   0.15 0.15
assign (segid "b   " and resid 76 and name o)  (segid "b   " and resid 80 and name n)  2.9   0.15 0.15
assign (segid "b   " and resid 77 and name o)  (segid "b   " and resid 81 and name n)  2.9   0.15 0.15
assign (segid "b   " and resid 78 and name o)  (segid "b   " and resid 82 and name n)  2.9   0.15 0.15
assign (segid "b   " and resid 79 and name o)  (segid "b   " and resid 83 and name n)  2.9   0.15 0.15
assign (segid "b   " and resid 80 and name o)  (segid "b   " and resid 84 and name n)  2.9   0.15 0.15
assign (segid "b   " and resid 81 and name o)  (segid "b   " and resid 85 and name n)  2.9   0.15 0.15
assign (segid "b   " and resid 82 and name o)  (segid "b   " and resid 86 and name n)  2.9   0.15 0.15
assign (segid "b   " and resid 83 and name o)  (segid "b   " and resid 87 and name n)  2.9   0.15 0.15
assign (segid "b   " and resid 84 and name o)  (segid "b   " and resid 88 and name n)  2.9   0.15 0.15
assign (segid "b   " and resid 85 and name o)  (segid "b   " and resid 89 and name n)  2.9   0.15 0.15
assign (segid "b   " and resid 86 and name o)  (segid "b   " and resid 90 and name n)  2.9   0.15 0.15
assign (segid "b   " and resid 87 and name o)  (segid "b   " and resid 91 and name n)  2.9   0.15 0.15
assign (segid "b   " and resid 88 and name o)  (segid "b   " and resid 92 and name n)  2.9   0.15 0.15
assign (segid "b   " and resid 89 and name o)  (segid "b   " and resid 93 and name n)  2.9   0.15 0.15
assign (segid "b   " and resid 90 and name o)  (segid "b   " and resid 94 and name n)  2.9   0.15 0.15
assign (segid "b   " and resid 91 and name o)  (segid "b   " and resid 95 and name n)  2.9   0.15 0.15
assign (segid "b   " and resid 92 and name o)  (segid "b   " and resid 96 and name n)  2.9   0.15 0.15
assign (segid "b   " and resid 93 and name o)  (segid "b   " and resid 97 and name n)  2.9   0.15 0.15
assign (segid "b   " and resid 94 and name o)  (segid "b   " and resid 98 and name n)  2.9   0.15 0.15
assign (segid "b   " and resid 95 and name o)  (segid "b   " and resid 99 and name n)  2.9   0.15 0.15

restraints
   dihedral

!	alpha helical phi/psi restraints based on NOE, chemical shift, HNHA, and amide exchange data

	assign (segid "a   " and resid 75 and name c) (segid "a   " and resid 76 and name n)
	  (segid "a   " and resid 76 and name ca) (segid "a   " and resid 76 and name c)  5 -57 0 2
	assign (segid "a   " and resid 76 and name c) (segid "a   " and resid 77 and name n)
	  (segid "a   " and resid 77 and name ca) (segid "a   " and resid 77 and name c)  5 -57 0 2
	assign (segid "a   " and resid 77 and name c) (segid "a   " and resid 78 and name n)
	  (segid "a   " and resid 78 and name ca) (segid "a   " and resid 78 and name c)  5 -57 0 2
	assign (segid "a   " and resid 78 and name c) (segid "a   " and resid 79 and name n)
	  (segid "a   " and resid 79 and name ca) (segid "a   " and resid 79 and name c)  5 -57 0 2
	assign (segid "a   " and resid 79 and name c) (segid "a   " and resid 80 and name n)
	  (segid "a   " and resid 80 and name ca) (segid "a   " and resid 80 and name c)  5 -57 0 2
	assign (segid "a   " and resid 80 and name c) (segid "a   " and resid 81 and name n)
	  (segid "a   " and resid 81 and name ca) (segid "a   " and resid 81 and name c)  5 -57 0 2
	assign (segid "a   " and resid 81 and name c) (segid "a   " and resid 82 and name n)
	  (segid "a   " and resid 82 and name ca) (segid "a   " and resid 82 and name c)  5 -57 0 2
	assign (segid "a   " and resid 82 and name c) (segid "a   " and resid 83 and name n)
	  (segid "a   " and resid 83 and name ca) (segid "a   " and resid 83 and name c)  5 -57 0 2
	assign (segid "a   " and resid 83 and name c) (segid "a   " and resid 84 and name n)
	  (segid "a   " and resid 84 and name ca) (segid "a   " and resid 84 and name c)  5 -57 0 2
	assign (segid "a   " and resid 84 and name c) (segid "a   " and resid 85 and name n)
	  (segid "a   " and resid 85 and name ca) (segid "a   " and resid 85 and name c)  5 -57 0 2
	assign (segid "a   " and resid 85 and name c) (segid "a   " and resid 86 and name n)
	  (segid "a   " and resid 86 and name ca) (segid "a   " and resid 86 and name c)  5 -57 0 2
	assign (segid "a   " and resid 86 and name c) (segid "a   " and resid 87 and name n)
	  (segid "a   " and resid 87 and name ca) (segid "a   " and resid 87 and name c)  5 -57 0 2
	assign (segid "a   " and resid 87 and name c) (segid "a   " and resid 88 and name n)
	  (segid "a   " and resid 88 and name ca) (segid "a   " and resid 88 and name c)  5 -57 0 2
	assign (segid "a   " and resid 88 and name c) (segid "a   " and resid 89 and name n)
	  (segid "a   " and resid 89 and name ca) (segid "a   " and resid 89 and name c)  5 -57 0 2
	assign (segid "a   " and resid 89 and name c) (segid "a   " and resid 90 and name n)
	  (segid "a   " and resid 90 and name ca) (segid "a   " and resid 90 and name c)  5 -57 0 2
	assign (segid "a   " and resid 90 and name c) (segid "a   " and resid 91 and name n)
	  (segid "a   " and resid 91 and name ca) (segid "a   " and resid 91 and name c)  5 -57 0 2
	assign (segid "a   " and resid 91 and name c) (segid "a   " and resid 92 and name n)
	  (segid "a   " and resid 92 and name ca) (segid "a   " and resid 92 and name c)  5 -57 0 2
	assign (segid "a   " and resid 92 and name c) (segid "a   " and resid 93 and name n)
	  (segid "a   " and resid 93 and name ca) (segid "a   " and resid 93 and name c)  5 -57 0 2
	assign (segid "a   " and resid 93 and name c) (segid "a   " and resid 94 and name n)
	  (segid "a   " and resid 94 and name ca) (segid "a   " and resid 94 and name c)  5 -57 0 2
	assign (segid "a   " and resid 94 and name c) (segid "a   " and resid 95 and name n)
	  (segid "a   " and resid 95 and name ca) (segid "a   " and resid 95 and name c)  5 -57 0 2
	assign (segid "a   " and resid 95 and name c) (segid "a   " and resid 96 and name n)
	  (segid "a   " and resid 96 and name ca) (segid "a   " and resid 96 and name c)  5 -57 0 2
	assign (segid "a   " and resid 96 and name c) (segid "a   " and resid 97 and name n)
	  (segid "a   " and resid 97 and name ca) (segid "a   " and resid 97 and name c)  5 -57 0 2
	assign (segid "a   " and resid 97 and name c) (segid "a   " and resid 98 and name n)
	  (segid "a   " and resid 98 and name ca) (segid "a   " and resid 98 and name c)  5 -57 0 2
	assign (segid "a   " and resid 98 and name c) (segid "a   " and resid 99 and name n)
	  (segid "a   " and resid 99 and name ca) (segid "a   " and resid 99 and name c)  5 -57 0 2


	assign (segid "a   " and resid 74 and name n) (segid "a   " and resid 74 and name ca)
	  (segid "a   " and resid 74 and name c) (segid "a   " and resid 75 and name n)  5 -47 0 2
	assign (segid "a   " and resid 75 and name n) (segid "a   " and resid 75 and name ca)
	  (segid "a   " and resid 75 and name c) (segid "a   " and resid 76 and name n)  5 -47 0 2
	assign (segid "a   " and resid 76 and name n) (segid "a   " and resid 76 and name ca)
	  (segid "a   " and resid 76 and name c) (segid "a   " and resid 77 and name n)  5 -47 0 2
	assign (segid "a   " and resid 77 and name n) (segid "a   " and resid 77 and name ca)
	  (segid "a   " and resid 77 and name c) (segid "a   " and resid 78 and name n)  5 -47 0 2
	assign (segid "a   " and resid 78 and name n) (segid "a   " and resid 78 and name ca)
	  (segid "a   " and resid 78 and name c) (segid "a   " and resid 79 and name n)  5 -47 0 2
	assign (segid "a   " and resid 79 and name n) (segid "a   " and resid 79 and name ca)
	  (segid "a   " and resid 79 and name c) (segid "a   " and resid 80 and name n)  5 -47 0 2
	assign (segid "a   " and resid 80 and name n) (segid "a   " and resid 80 and name ca)
	  (segid "a   " and resid 80 and name c) (segid "a   " and resid 81 and name n)  5 -47 0 2
	assign (segid "a   " and resid 81 and name n) (segid "a   " and resid 81 and name ca)
	  (segid "a   " and resid 81 and name c) (segid "a   " and resid 82 and name n)  5 -47 0 2
	assign (segid "a   " and resid 82 and name n) (segid "a   " and resid 82 and name ca)
	  (segid "a   " and resid 82 and name c) (segid "a   " and resid 83 and name n)  5 -47 0 2
	assign (segid "a   " and resid 83 and name n) (segid "a   " and resid 83 and name ca)
	  (segid "a   " and resid 83 and name c) (segid "a   " and resid 84 and name n)  5 -47 0 2
	assign (segid "a   " and resid 84 and name n) (segid "a   " and resid 84 and name ca)
	  (segid "a   " and resid 84 and name c) (segid "a   " and resid 85 and name n)  5 -47 0 2
	assign (segid "a   " and resid 85 and name n) (segid "a   " and resid 85 and name ca)
	  (segid "a   " and resid 85 and name c) (segid "a   " and resid 86 and name n)  5 -47 0 2
	assign (segid "a   " and resid 86 and name n) (segid "a   " and resid 86 and name ca)
	  (segid "a   " and resid 86 and name c) (segid "a   " and resid 87 and name n)  5 -47 0 2
	assign (segid "a   " and resid 87 and name n) (segid "a   " and resid 87 and name ca)
	  (segid "a   " and resid 87 and name c) (segid "a   " and resid 88 and name n)  5 -47 0 2
	assign (segid "a   " and resid 88 and name n) (segid "a   " and resid 88 and name ca)
	  (segid "a   " and resid 88 and name c) (segid "a   " and resid 89 and name n)  5 -47 0 2
	assign (segid "a   " and resid 89 and name n) (segid "a   " and resid 89 and name ca)
	  (segid "a   " and resid 89 and name c) (segid "a   " and resid 90 and name n)  5 -47 0 2
	assign (segid "a   " and resid 90 and name n) (segid "a   " and resid 90 and name ca)
	  (segid "a   " and resid 90 and name c) (segid "a   " and resid 91 and name n)  5 -47 0 2
	assign (segid "a   " and resid 91 and name n) (segid "a   " and resid 91 and name ca)
	  (segid "a   " and resid 91 and name c) (segid "a   " and resid 92 and name n)  5 -47 0 2
	assign (segid "a   " and resid 92 and name n) (segid "a   " and resid 92 and name ca)
	  (segid "a   " and resid 92 and name c) (segid "a   " and resid 93 and name n)  5 -47 0 2
	assign (segid "a   " and resid 93 and name n) (segid "a   " and resid 93 and name ca)
	  (segid "a   " and resid 93 and name c) (segid "a   " and resid 94 and name n)  5 -47 0 2
	assign (segid "a   " and resid 94 and name n) (segid "a   " and resid 94 and name ca)
	  (segid "a   " and resid 94 and name c) (segid "a   " and resid 95 and name n)  5 -47 0 2
	assign (segid "a   " and resid 95 and name n) (segid "a   " and resid 95 and name ca)
	  (segid "a   " and resid 95 and name c) (segid "a   " and resid 96 and name n)  5 -47 0 2
	assign (segid "a   " and resid 96 and name n) (segid "a   " and resid 96 and name ca)
	  (segid "a   " and resid 96 and name c) (segid "a   " and resid 97 and name n)  5 -47 0 2
	assign (segid "a   " and resid 97 and name n) (segid "a   " and resid 97 and name ca)
	  (segid "a   " and resid 97 and name c) (segid "a   " and resid 98 and name n)  5 -47 0 2
	assign (segid "a   " and resid 98 and name n) (segid "a   " and resid 98 and name ca)
	  (segid "a   " and resid 98 and name c) (segid "a   " and resid 99 and name n)  5 -47 0 2



	assign (segid "b   " and resid 75 and name c) (segid "b   " and resid 76 and name n)
	  (segid "b   " and resid 76 and name ca) (segid "b   " and resid 76 and name c)  5 -57 0 2
	assign (segid "b   " and resid 76 and name c) (segid "b   " and resid 77 and name n)
	  (segid "b   " and resid 77 and name ca) (segid "b   " and resid 77 and name c)  5 -57 0 2
	assign (segid "b   " and resid 77 and name c) (segid "b   " and resid 78 and name n)
	  (segid "b   " and resid 78 and name ca) (segid "b   " and resid 78 and name c)  5 -57 0 2
	assign (segid "b   " and resid 78 and name c) (segid "b   " and resid 79 and name n)
	  (segid "b   " and resid 79 and name ca) (segid "b   " and resid 79 and name c)  5 -57 0 2
	assign (segid "b   " and resid 79 and name c) (segid "b   " and resid 80 and name n)
	  (segid "b   " and resid 80 and name ca) (segid "b   " and resid 80 and name c)  5 -57 0 2
	assign (segid "b   " and resid 80 and name c) (segid "b   " and resid 81 and name n)
	  (segid "b   " and resid 81 and name ca) (segid "b   " and resid 81 and name c)  5 -57 0 2
	assign (segid "b   " and resid 81 and name c) (segid "b   " and resid 82 and name n)
	  (segid "b   " and resid 82 and name ca) (segid "b   " and resid 82 and name c)  5 -57 0 2
	assign (segid "b   " and resid 82 and name c) (segid "b   " and resid 83 and name n)
	  (segid "b   " and resid 83 and name ca) (segid "b   " and resid 83 and name c)  5 -57 0 2
	assign (segid "b   " and resid 83 and name c) (segid "b   " and resid 84 and name n)
	  (segid "b   " and resid 84 and name ca) (segid "b   " and resid 84 and name c)  5 -57 0 2
	assign (segid "b   " and resid 84 and name c) (segid "b   " and resid 85 and name n)
	  (segid "b   " and resid 85 and name ca) (segid "b   " and resid 85 and name c)  5 -57 0 2
	assign (segid "b   " and resid 85 and name c) (segid "b   " and resid 86 and name n)
	  (segid "b   " and resid 86 and name ca) (segid "b   " and resid 86 and name c)  5 -57 0 2
	assign (segid "b   " and resid 86 and name c) (segid "b   " and resid 87 and name n)
	  (segid "b   " and resid 87 and name ca) (segid "b   " and resid 87 and name c)  5 -57 0 2
	assign (segid "b   " and resid 87 and name c) (segid "b   " and resid 88 and name n)
	  (segid "b   " and resid 88 and name ca) (segid "b   " and resid 88 and name c)  5 -57 0 2
	assign (segid "b   " and resid 88 and name c) (segid "b   " and resid 89 and name n)
	  (segid "b   " and resid 89 and name ca) (segid "b   " and resid 89 and name c)  5 -57 0 2
	assign (segid "b   " and resid 89 and name c) (segid "b   " and resid 90 and name n)
	  (segid "b   " and resid 90 and name ca) (segid "b   " and resid 90 and name c)  5 -57 0 2
	assign (segid "b   " and resid 90 and name c) (segid "b   " and resid 91 and name n)
	  (segid "b   " and resid 91 and name ca) (segid "b   " and resid 91 and name c)  5 -57 0 2
	assign (segid "b   " and resid 91 and name c) (segid "b   " and resid 92 and name n)
	  (segid "b   " and resid 92 and name ca) (segid "b   " and resid 92 and name c)  5 -57 0 2
	assign (segid "b   " and resid 92 and name c) (segid "b   " and resid 93 and name n)
	  (segid "b   " and resid 93 and name ca) (segid "b   " and resid 93 and name c)  5 -57 0 2
	assign (segid "b   " and resid 93 and name c) (segid "b   " and resid 94 and name n)
	  (segid "b   " and resid 94 and name ca) (segid "b   " and resid 94 and name c)  5 -57 0 2
	assign (segid "b   " and resid 94 and name c) (segid "b   " and resid 95 and name n)
	  (segid "b   " and resid 95 and name ca) (segid "b   " and resid 95 and name c)  5 -57 0 2
	assign (segid "b   " and resid 95 and name c) (segid "b   " and resid 96 and name n)
	  (segid "b   " and resid 96 and name ca) (segid "b   " and resid 96 and name c)  5 -57 0 2
	assign (segid "b   " and resid 96 and name c) (segid "b   " and resid 97 and name n)
	  (segid "b   " and resid 97 and name ca) (segid "b   " and resid 97 and name c)  5 -57 0 2
	assign (segid "b   " and resid 97 and name c) (segid "b   " and resid 98 and name n)
	  (segid "b   " and resid 98 and name ca) (segid "b   " and resid 98 and name c)  5 -57 0 2
	assign (segid "b   " and resid 98 and name c) (segid "b   " and resid 99 and name n)
	  (segid "b   " and resid 99 and name ca) (segid "b   " and resid 99 and name c)  5 -57 0 2


	assign (segid "b   " and resid 74 and name n) (segid "b   " and resid 74 and name ca)
	  (segid "b   " and resid 74 and name c) (segid "b   " and resid 75 and name n)  5 -47 0 2
	assign (segid "b   " and resid 75 and name n) (segid "b   " and resid 75 and name ca)
	  (segid "b   " and resid 75 and name c) (segid "b   " and resid 76 and name n)  5 -47 0 2
	assign (segid "b   " and resid 76 and name n) (segid "b   " and resid 76 and name ca)
	  (segid "b   " and resid 76 and name c) (segid "b   " and resid 77 and name n)  5 -47 0 2
	assign (segid "b   " and resid 77 and name n) (segid "b   " and resid 77 and name ca)
	  (segid "b   " and resid 77 and name c) (segid "b   " and resid 78 and name n)  5 -47 0 2
	assign (segid "b   " and resid 78 and name n) (segid "b   " and resid 78 and name ca)
	  (segid "b   " and resid 78 and name c) (segid "b   " and resid 79 and name n)  5 -47 0 2
	assign (segid "b   " and resid 79 and name n) (segid "b   " and resid 79 and name ca)
	  (segid "b   " and resid 79 and name c) (segid "b   " and resid 80 and name n)  5 -47 0 2
	assign (segid "b   " and resid 80 and name n) (segid "b   " and resid 80 and name ca)
	  (segid "b   " and resid 80 and name c) (segid "b   " and resid 81 and name n)  5 -47 0 2
	assign (segid "b   " and resid 81 and name n) (segid "b   " and resid 81 and name ca)
	  (segid "b   " and resid 81 and name c) (segid "b   " and resid 82 and name n)  5 -47 0 2
	assign (segid "b   " and resid 82 and name n) (segid "b   " and resid 82 and name ca)
	  (segid "b   " and resid 82 and name c) (segid "b   " and resid 83 and name n)  5 -47 0 2
	assign (segid "b   " and resid 83 and name n) (segid "b   " and resid 83 and name ca)
	  (segid "b   " and resid 83 and name c) (segid "b   " and resid 84 and name n)  5 -47 0 2
	assign (segid "b   " and resid 84 and name n) (segid "b   " and resid 84 and name ca)
	  (segid "b   " and resid 84 and name c) (segid "b   " and resid 85 and name n)  5 -47 0 2
	assign (segid "b   " and resid 85 and name n) (segid "b   " and resid 85 and name ca)
	  (segid "b   " and resid 85 and name c) (segid "b   " and resid 86 and name n)  5 -47 0 2
	assign (segid "b   " and resid 86 and name n) (segid "b   " and resid 86 and name ca)
	  (segid "b   " and resid 86 and name c) (segid "b   " and resid 87 and name n)  5 -47 0 2
	assign (segid "b   " and resid 87 and name n) (segid "b   " and resid 87 and name ca)
	  (segid "b   " and resid 87 and name c) (segid "b   " and resid 88 and name n)  5 -47 0 2
	assign (segid "b   " and resid 88 and name n) (segid "b   " and resid 88 and name ca)
	  (segid "b   " and resid 88 and name c) (segid "b   " and resid 89 and name n)  5 -47 0 2
	assign (segid "b   " and resid 89 and name n) (segid "b   " and resid 89 and name ca)
	  (segid "b   " and resid 89 and name c) (segid "b   " and resid 90 and name n)  5 -47 0 2
	assign (segid "b   " and resid 90 and name n) (segid "b   " and resid 90 and name ca)
	  (segid "b   " and resid 90 and name c) (segid "b   " and resid 91 and name n)  5 -47 0 2
	assign (segid "b   " and resid 91 and name n) (segid "b   " and resid 91 and name ca)
	  (segid "b   " and resid 91 and name c) (segid "b   " and resid 92 and name n)  5 -47 0 2
	assign (segid "b   " and resid 92 and name n) (segid "b   " and resid 92 and name ca)
	  (segid "b   " and resid 92 and name c) (segid "b   " and resid 93 and name n)  5 -47 0 2
	assign (segid "b   " and resid 93 and name n) (segid "b   " and resid 93 and name ca)
	  (segid "b   " and resid 93 and name c) (segid "b   " and resid 94 and name n)  5 -47 0 2
	assign (segid "b   " and resid 94 and name n) (segid "b   " and resid 94 and name ca)
	  (segid "b   " and resid 94 and name c) (segid "b   " and resid 95 and name n)  5 -47 0 2
	assign (segid "b   " and resid 95 and name n) (segid "b   " and resid 95 and name ca)
	  (segid "b   " and resid 95 and name c) (segid "b   " and resid 96 and name n)  5 -47 0 2
	assign (segid "b   " and resid 96 and name n) (segid "b   " and resid 96 and name ca)
	  (segid "b   " and resid 96 and name c) (segid "b   " and resid 97 and name n)  5 -47 0 2
	assign (segid "b   " and resid 97 and name n) (segid "b   " and resid 97 and name ca)
	  (segid "b   " and resid 97 and name c) (segid "b   " and resid 98 and name n)  5 -47 0 2
	assign (segid "b   " and resid 98 and name n) (segid "b   " and resid 98 and name ca)
	  (segid "b   " and resid 98 and name c) (segid "b   " and resid 99 and name n)  5 -47 0 2

end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    VAL  62           HT2      VAL  62 -11.141  15.265   7.965
    2   2H    VAL  62           HT1      VAL  62  -9.564  14.915   7.438
    3   3H    VAL  62           HT3      VAL  62 -10.746  15.389   6.318
    4    HA   VAL  62           HA       VAL  62 -10.805  13.159   5.961
    5    HB   VAL  62           HB       VAL  62  -9.082  12.506   7.486
    6   1HG1  VAL  62          HG13      VAL  62 -10.960  13.660   9.499
    7   2HG1  VAL  62          HG12      VAL  62  -9.936  12.320  10.017
    8   3HG1  VAL  62          HG11      VAL  62  -9.205  13.798   9.391
    9   1HG2  VAL  62          HG23      VAL  62 -10.908  10.807   6.931
   10   2HG2  VAL  62          HG22      VAL  62  -9.951  10.456   8.370
   11   3HG2  VAL  62          HG21      VAL  62 -11.571  11.134   8.532
   12    H    GLN  63           HN       GLN  63 -13.035  13.681   5.524
   13    HA   GLN  63           HA       GLN  63 -14.912  13.245   7.799
   14   1HB   GLN  63           HB2      GLN  63 -15.206  15.357   6.556
   15   2HB   GLN  63           HB1      GLN  63 -15.405  14.449   5.058
   16   1HG   GLN  63           HG2      GLN  63 -17.556  15.205   6.253
   17   2HG   GLN  63           HG1      GLN  63 -17.468  13.512   5.771
   18   1HE2  GLN  63          HE22      GLN  63 -17.809  12.352   9.071
   19   2HE2  GLN  63          HE21      GLN  63 -17.871  12.013   7.409
   20    H    LEU  64           HN       LEU  64 -13.417  11.297   5.842
   21    HA   LEU  64           HA       LEU  64 -13.939   9.311   4.681
   22   1HB   LEU  64           HB2      LEU  64 -15.230   9.377   7.223
   23   2HB   LEU  64           HB1      LEU  64 -16.342   8.620   6.081
   24    HG   LEU  64           HG       LEU  64 -14.314   7.228   5.307
   25   1HD1  LEU  64          HD13      LEU  64 -13.301   8.287   7.964
   26   2HD1  LEU  64          HD12      LEU  64 -12.585   6.934   7.087
   27   3HD1  LEU  64          HD11      LEU  64 -12.567   8.551   6.382
   28   1HD2  LEU  64          HD22      LEU  64 -16.256   6.461   6.764
   29   2HD2  LEU  64          HD21      LEU  64 -14.757   5.557   6.977
   30   3HD2  LEU  64          HD23      LEU  64 -15.227   6.778   8.161
   31    H    ALA  65           HN       ALA  65 -16.361   8.080   4.087
   32    HA   ALA  65           HA       ALA  65 -18.253   9.999   2.974
   33   1HB   ALA  65           HB2      ALA  65 -15.981   9.224   1.395
   34   2HB   ALA  65           HB1      ALA  65 -17.436   8.535   0.676
   35   3HB   ALA  65           HB3      ALA  65 -17.323  10.274   0.943
   36    H    HIS  66           HN       HIS  66 -18.224   7.587   4.678
   37    HA   HIS  66           HA       HIS  66 -20.410   6.161   3.335
   38   1HB   HIS  66           HB2      HIS  66 -17.725   4.902   3.857
   39   2HB   HIS  66           HB1      HIS  66 -19.191   3.922   3.908
   40    HD1  HIS  66           HD1      HIS  66 -16.934   5.752   1.568
   41    HD2  HIS  66           HD2      HIS  66 -20.562   3.706   1.381
   42    HE1  HIS  66           HE1      HIS  66 -17.413   5.365  -0.889
   43    H    HIS  67           HN       HIS  67 -21.009   4.192   4.960
   44    HA   HIS  67           HA       HIS  67 -20.372   4.270   7.686
   45   1HB   HIS  67           HB2      HIS  67 -21.671   6.657   6.928
   46   2HB   HIS  67           HB1      HIS  67 -22.877   5.708   7.797
   47    HD1  HIS  67           HD1      HIS  67 -22.415   5.166  10.291
   48    HD2  HIS  67           HD2      HIS  67 -19.436   7.470   8.503
   49    HE1  HIS  67           HE1      HIS  67 -20.950   6.025  12.170
   50    H    PHE  68           HN       PHE  68 -23.368   4.384   5.719
   51    HA   PHE  68           HA       PHE  68 -24.710   2.379   7.280
   52   1HB   PHE  68           HB2      PHE  68 -25.173   3.778   4.706
   53   2HB   PHE  68           HB1      PHE  68 -25.955   2.206   4.875
   54    HD1  PHE  68           HD2      PHE  68 -25.506   5.506   6.563
   55    HD2  PHE  68           HD1      PHE  68 -27.885   1.945   6.220
   56    HE1  PHE  68           HE2      PHE  68 -27.238   6.523   8.018
   57    HE2  PHE  68           HE1      PHE  68 -29.617   2.963   7.676
   58    HZ   PHE  68           HZ       PHE  68 -29.293   5.251   8.575
   59    H    SER  69           HN       SER  69 -24.982   0.144   6.849
   60    HA   SER  69           HA       SER  69 -24.199  -1.979   6.227
   61   1HB   SER  69           HB2      SER  69 -24.296  -2.393   3.927
   62   2HB   SER  69           HB1      SER  69 -25.266  -0.930   4.073
   63    HG   SER  69           HG       SER  69 -23.624  -0.875   2.406
   64    H    GLU  70           HN       GLU  70 -22.244  -3.109   5.065
   65    HA   GLU  70           HA       GLU  70 -19.777  -1.509   5.625
   66   1HB   GLU  70           HB2      GLU  70 -20.122  -4.498   6.003
   67   2HB   GLU  70           HB1      GLU  70 -18.719  -3.529   6.453
   68   1HG   GLU  70           HG2      GLU  70 -20.561  -2.166   7.821
   69   2HG   GLU  70           HG1      GLU  70 -21.392  -3.721   7.771
   70    HA   PRO  71           HA       PRO  71 -19.648  -2.557   1.192
   71   1HB   PRO  71           HB2      PRO  71 -17.528  -0.630   0.975
   72   2HB   PRO  71           HB1      PRO  71 -19.190  -0.487   0.389
   73   1HG   PRO  71           HG2      PRO  71 -17.990   0.865   2.643
   74   2HG   PRO  71           HG1      PRO  71 -19.642   1.024   2.033
   75   1HD   PRO  71           HD2      PRO  71 -18.782  -0.292   4.441
   76   2HD   PRO  71           HD1      PRO  71 -20.434  -0.170   3.802
   77    H    GLU  72           HN       GLU  72 -18.614  -4.556   1.177
   78    HA   GLU  72           HA       GLU  72 -16.198  -5.249   2.444
   79   1HB   GLU  72           HB2      GLU  72 -17.465  -6.275  -0.107
   80   2HB   GLU  72           HB1      GLU  72 -16.018  -7.001   0.594
   81   1HG   GLU  72           HG2      GLU  72 -17.517  -8.281   1.740
   82   2HG   GLU  72           HG1      GLU  72 -17.625  -6.868   2.790
   83    H    ILE  73           HN       ILE  73 -16.729  -3.772  -0.743
   84    HA   ILE  73           HA       ILE  73 -14.018  -3.871  -1.619
   85    HB   ILE  73           HB       ILE  73 -16.091  -3.333  -3.001
   86   1HG1  ILE  73          HG12      ILE  73 -14.783  -1.486  -4.284
   87   2HG1  ILE  73          HG11      ILE  73 -13.539  -1.746  -3.061
   88   1HG2  ILE  73          HG22      ILE  73 -16.956  -1.604  -1.403
   89   2HG2  ILE  73          HG21      ILE  73 -15.608  -0.563  -1.860
   90   3HG2  ILE  73          HG23      ILE  73 -16.822  -1.010  -3.059
   91   1HD1  ILE  73          HD13      ILE  73 -14.279  -4.321  -3.818
   92   2HD1  ILE  73          HD12      ILE  73 -14.266  -3.421  -5.336
   93   3HD1  ILE  73          HD11      ILE  73 -12.820  -3.471  -4.328
   94    H    THR  74           HN       THR  74 -15.847  -1.341   0.128
   95    HA   THR  74           HA       THR  74 -13.781   0.592   0.223
   96    HB   THR  74           HB       THR  74 -14.929   1.430   2.279
   97    HG1  THR  74           HG1      THR  74 -15.624  -0.355   3.288
   98   1HG2  THR  74          HG22      THR  74 -16.598   0.624  -0.109
   99   2HG2  THR  74          HG21      THR  74 -17.202   1.689   1.160
  100   3HG2  THR  74          HG23      THR  74 -15.814   2.175   0.187
  101    H    LEU  75           HN       LEU  75 -14.498  -2.060   2.530
  102    HA   LEU  75           HA       LEU  75 -12.270  -1.432   4.253
  103   1HB   LEU  75           HB2      LEU  75 -14.350  -3.019   4.642
  104   2HB   LEU  75           HB1      LEU  75 -13.279  -4.244   3.962
  105    HG   LEU  75           HG       LEU  75 -12.861  -2.573   6.445
  106   1HD1  LEU  75          HD13      LEU  75 -13.938  -5.074   6.069
  107   2HD1  LEU  75          HD12      LEU  75 -12.246  -5.454   6.394
  108   3HD1  LEU  75          HD11      LEU  75 -13.181  -4.523   7.564
  109   1HD2  LEU  75          HD22      LEU  75 -10.849  -4.095   4.775
  110   2HD2  LEU  75          HD21      LEU  75 -10.741  -2.437   5.366
  111   3HD2  LEU  75          HD23      LEU  75 -10.592  -3.786   6.492
  112    H    ILE  76           HN       ILE  76 -12.634  -3.834   1.603
  113    HA   ILE  76           HA       ILE  76  -9.998  -4.880   1.796
  114    HB   ILE  76           HB       ILE  76 -11.735  -4.481  -0.665
  115   1HG1  ILE  76          HG12      ILE  76 -11.217  -7.015   0.904
  116   2HG1  ILE  76          HG11      ILE  76 -12.559  -5.936   1.287
  117   1HG2  ILE  76          HG23      ILE  76  -9.199  -6.076  -0.214
  118   2HG2  ILE  76          HG22      ILE  76 -10.276  -6.331  -1.587
  119   3HG2  ILE  76          HG21      ILE  76  -9.454  -4.783  -1.387
  120   1HD1  ILE  76          HD13      ILE  76 -12.122  -6.957  -1.518
  121   2HD1  ILE  76          HD12      ILE  76 -13.037  -7.890  -0.334
  122   3HD1  ILE  76          HD11      ILE  76 -13.592  -6.286  -0.812
  123    H    ILE  77           HN       ILE  77 -11.259  -2.140  -0.110
  124    HA   ILE  77           HA       ILE  77  -8.793  -1.321  -1.263
  125    HB   ILE  77           HB       ILE  77 -11.231   0.275  -0.423
  126   1HG1  ILE  77          HG12      ILE  77 -10.232  -0.604  -3.151
  127   2HG1  ILE  77          HG11      ILE  77 -11.492  -1.434  -2.238
  128   1HG2  ILE  77          HG23      ILE  77  -8.638   1.237  -1.054
  129   2HG2  ILE  77          HG22      ILE  77  -9.644   1.530  -2.472
  130   3HG2  ILE  77          HG21      ILE  77 -10.124   2.175  -0.902
  131   1HD1  ILE  77          HD12      ILE  77 -11.639   1.496  -2.991
  132   2HD1  ILE  77          HD11      ILE  77 -12.357   0.206  -3.957
  133   3HD1  ILE  77          HD13      ILE  77 -12.927   0.499  -2.314
  134    H    PHE  78           HN       PHE  78 -10.361  -0.373   1.789
  135    HA   PHE  78           HA       PHE  78  -8.400   1.458   2.690
  136   1HB   PHE  78           HB2      PHE  78 -10.417  -0.289   4.063
  137   2HB   PHE  78           HB1      PHE  78  -9.193   0.523   5.038
  138    HD1  PHE  78           HD2      PHE  78 -10.767   1.728   1.878
  139    HD2  PHE  78           HD1      PHE  78 -10.429   2.222   6.132
  140    HE1  PHE  78           HE2      PHE  78 -12.045   3.849   1.734
  141    HE2  PHE  78           HE1      PHE  78 -11.706   4.343   5.988
  142    HZ   PHE  78           HZ       PHE  78 -12.514   5.157   3.789
  143    H    GLY  79           HN       GLY  79  -8.615  -2.077   3.240
  144   1HA   GLY  79           HA2      GLY  79  -6.278  -2.309   4.833
  145   2HA   GLY  79           HA1      GLY  79  -6.901  -3.595   3.795
  146    H    VAL  80           HN       VAL  80  -6.629  -2.495   1.270
  147    HA   VAL  80           HA       VAL  80  -3.880  -2.900   0.670
  148    HB   VAL  80           HB       VAL  80  -5.941  -1.331  -0.908
  149   1HG1  VAL  80          HG12      VAL  80  -3.174  -1.639  -1.327
  150   2HG1  VAL  80          HG11      VAL  80  -3.944  -2.781  -2.429
  151   3HG1  VAL  80          HG13      VAL  80  -4.364  -1.069  -2.498
  152   1HG2  VAL  80          HG21      VAL  80  -6.124  -3.939  -0.154
  153   2HG2  VAL  80          HG23      VAL  80  -6.764  -3.324  -1.678
  154   3HG2  VAL  80          HG22      VAL  80  -5.184  -4.106  -1.637
  155    H    MET  81           HN       MET  81  -5.741   0.114   1.021
  156    HA   MET  81           HA       MET  81  -3.617   1.935   0.557
  157   1HB   MET  81           HB2      MET  81  -6.098   2.125   2.279
  158   2HB   MET  81           HB1      MET  81  -4.994   3.482   2.050
  159   1HG   MET  81           HG2      MET  81  -5.303   2.846  -0.515
  160   2HG   MET  81           HG1      MET  81  -6.820   2.169   0.077
  161   1HE   MET  81           HE3      MET  81  -6.031   4.155  -1.915
  162   2HE   MET  81           HE2      MET  81  -7.607   4.941  -1.873
  163   3HE   MET  81           HE1      MET  81  -6.152   5.884  -1.563
  164    H    ALA  82           HN       ALA  82  -4.749   0.467   3.604
  165    HA   ALA  82           HA       ALA  82  -2.912   1.746   5.326
  166   1HB   ALA  82           HB1      ALA  82  -4.677  -0.590   5.473
  167   2HB   ALA  82           HB3      ALA  82  -3.214  -0.776   6.445
  168   3HB   ALA  82           HB2      ALA  82  -4.281   0.602   6.708
  169    H    GLY  83           HN       GLY  83  -2.514  -1.357   3.529
  170   1HA   GLY  83           HA2      GLY  83   0.067  -1.964   4.536
  171   2HA   GLY  83           HA1      GLY  83  -0.522  -2.456   2.946
  172    H    VAL  84           HN       VAL  84  -0.895  -0.041   1.681
  173    HA   VAL  84           HA       VAL  84   1.717   0.663   0.823
  174    HB   VAL  84           HB       VAL  84  -0.898   2.186   0.665
  175   1HG1  VAL  84          HG13      VAL  84   1.849   2.808  -0.414
  176   2HG1  VAL  84          HG12      VAL  84   0.400   3.378  -1.243
  177   3HG1  VAL  84          HG11      VAL  84   0.724   3.883   0.416
  178   1HG2  VAL  84          HG21      VAL  84   0.303  -0.015  -0.785
  179   2HG2  VAL  84          HG23      VAL  84  -1.306   0.683  -0.967
  180   3HG2  VAL  84          HG22      VAL  84   0.055   1.361  -1.859
  181    H    ILE  85           HN       ILE  85  -0.456   2.341   3.120
  182    HA   ILE  85           HA       ILE  85   1.240   4.523   3.717
  183    HB   ILE  85           HB       ILE  85  -0.653   3.062   5.584
  184   1HG1  ILE  85          HG12      ILE  85  -1.582   3.919   3.367
  185   2HG1  ILE  85          HG11      ILE  85  -2.343   4.582   4.814
  186   1HG2  ILE  85          HG23      ILE  85   1.022   5.476   5.833
  187   2HG2  ILE  85          HG22      ILE  85  -0.669   5.720   6.268
  188   3HG2  ILE  85          HG21      ILE  85   0.283   4.485   7.091
  189   1HD1  ILE  85          HD11      ILE  85   0.014   6.021   3.656
  190   2HD1  ILE  85          HD13      ILE  85  -1.548   6.184   2.854
  191   3HD1  ILE  85          HD12      ILE  85  -1.368   6.668   4.541
  192    H    GLY  86           HN       GLY  86   1.063   1.319   5.327
  193   1HA   GLY  86           HA2      GLY  86   3.045   1.816   7.286
  194   2HA   GLY  86           HA1      GLY  86   2.682   0.220   6.626
  195    H    THR  87           HN       THR  87   3.405   0.503   3.977
  196    HA   THR  87           HA       THR  87   6.223   0.170   4.037
  197    HB   THR  87           HB       THR  87   4.489   0.997   1.688
  198    HG1  THR  87           HG1      THR  87   3.767  -0.921   2.535
  199   1HG2  THR  87          HG23      THR  87   7.151   1.117   1.700
  200   2HG2  THR  87          HG22      THR  87   6.991  -0.621   1.447
  201   3HG2  THR  87          HG21      THR  87   6.272   0.506   0.298
  202    H    ILE  88           HN       ILE  88   4.270   2.988   3.064
  203    HA   ILE  88           HA       ILE  88   6.403   4.718   2.376
  204    HB   ILE  88           HB       ILE  88   3.701   5.338   3.604
  205   1HG1  ILE  88          HG12      ILE  88   4.762   5.345   0.760
  206   2HG1  ILE  88          HG11      ILE  88   3.559   4.243   1.429
  207   1HG2  ILE  88          HG21      ILE  88   5.985   7.036   3.149
  208   2HG2  ILE  88          HG23      ILE  88   4.681   7.499   2.055
  209   3HG2  ILE  88          HG22      ILE  88   4.402   7.469   3.796
  210   1HD1  ILE  88          HD13      ILE  88   2.348   6.553   2.035
  211   2HD1  ILE  88          HD12      ILE  88   3.278   7.107   0.643
  212   3HD1  ILE  88          HD11      ILE  88   2.134   5.776   0.467
  213    H    LEU  89           HN       LEU  89   4.805   4.230   5.537
  214    HA   LEU  89           HA       LEU  89   6.326   6.124   6.989
  215   1HB   LEU  89           HB2      LEU  89   4.837   5.398   8.522
  216   2HB   LEU  89           HB1      LEU  89   4.491   3.961   7.570
  217    HG   LEU  89           HG       LEU  89   6.605   2.943   8.551
  218   1HD1  LEU  89          HD11      LEU  89   7.581   5.134   9.272
  219   2HD1  LEU  89          HD13      LEU  89   6.314   5.256  10.493
  220   3HD1  LEU  89          HD12      LEU  89   7.501   3.954  10.580
  221   1HD2  LEU  89          HD22      LEU  89   3.991   3.323   9.697
  222   2HD2  LEU  89          HD21      LEU  89   5.056   1.924   9.832
  223   3HD2  LEU  89          HD23      LEU  89   5.184   3.245  10.993
  224    H    LEU  90           HN       LEU  90   6.982   2.658   6.379
  225    HA   LEU  90           HA       LEU  90   9.431   2.507   7.822
  226   1HB   LEU  90           HB2      LEU  90   8.180   0.570   6.745
  227   2HB   LEU  90           HB1      LEU  90   8.867   1.085   5.203
  228    HG   LEU  90           HG       LEU  90  11.152   0.982   6.399
  229   1HD1  LEU  90          HD13      LEU  90  10.005   0.792   8.677
  230   2HD1  LEU  90          HD12      LEU  90   9.630  -0.875   8.240
  231   3HD1  LEU  90          HD11      LEU  90  11.310  -0.354   8.372
  232   1HD2  LEU  90          HD22      LEU  90   9.430  -1.216   5.404
  233   2HD2  LEU  90          HD21      LEU  90  11.045  -0.731   4.888
  234   3HD2  LEU  90          HD23      LEU  90  10.842  -1.727   6.329
  235    H    ILE  91           HN       ILE  91   8.834   3.367   4.409
  236    HA   ILE  91           HA       ILE  91  11.531   3.836   3.667
  237    HB   ILE  91           HB       ILE  91   9.032   5.270   2.713
  238   1HG1  ILE  91          HG12      ILE  91  10.484   2.945   1.428
  239   2HG1  ILE  91          HG11      ILE  91   9.133   2.716   2.539
  240   1HG2  ILE  91          HG22      ILE  91  11.489   6.162   2.243
  241   2HG2  ILE  91          HG21      ILE  91  11.495   4.857   1.057
  242   3HG2  ILE  91          HG23      ILE  91  10.281   6.133   0.958
  243   1HD1  ILE  91          HD12      ILE  91   8.298   4.699   0.714
  244   2HD1  ILE  91          HD11      ILE  91   9.074   3.448  -0.256
  245   3HD1  ILE  91          HD13      ILE  91   7.730   3.032   0.807
  246    H    SER  92           HN       SER  92   9.128   6.111   5.039
  247    HA   SER  92           HA       SER  92  10.801   8.397   5.026
  248   1HB   SER  92           HB2      SER  92   8.734   7.630   7.111
  249   2HB   SER  92           HB1      SER  92   9.375   9.248   6.843
  250    HG   SER  92           HG       SER  92   7.293   8.310   5.728
  251    H    TYR  93           HN       TYR  93  10.393   5.897   7.565
  252    HA   TYR  93           HA       TYR  93  12.274   6.990   9.392
  253   1HB   TYR  93           HB2      TYR  93  10.919   4.442   9.007
  254   2HB   TYR  93           HB1      TYR  93  12.571   4.212   9.582
  255    HD1  TYR  93           HD2      TYR  93  13.031   6.610  11.205
  256    HD2  TYR  93           HD1      TYR  93   9.535   4.135  10.888
  257    HE1  TYR  93           HE2      TYR  93  12.336   7.300  13.484
  258    HE2  TYR  93           HE1      TYR  93   8.840   4.824  13.167
  259    HH   TYR  93           HH       TYR  93  10.950   6.642  15.259
  260    H    GLY  94           HN       GLY  94  12.772   4.637   6.737
  261   1HA   GLY  94           HA2      GLY  94  15.564   4.290   7.079
  262   2HA   GLY  94           HA1      GLY  94  14.717   4.106   5.542
  263    H    ILE  95           HN       ILE  95  13.786   6.650   5.075
  264    HA   ILE  95           HA       ILE  95  16.063   7.960   4.002
  265    HB   ILE  95           HB       ILE  95  13.364   8.298   3.700
  266   1HG1  ILE  95          HG12      ILE  95  14.002  10.244   2.259
  267   2HG1  ILE  95          HG11      ILE  95  15.611  10.197   2.980
  268   1HG2  ILE  95          HG23      ILE  95  13.250   9.650   5.807
  269   2HG2  ILE  95          HG22      ILE  95  14.356  10.811   5.078
  270   3HG2  ILE  95          HG21      ILE  95  12.759  10.553   4.377
  271   1HD1  ILE  95          HD12      ILE  95  14.892   7.545   2.139
  272   2HD1  ILE  95          HD11      ILE  95  14.648   8.660   0.794
  273   3HD1  ILE  95          HD13      ILE  95  16.225   8.553   1.575
  274    H    ARG  96           HN       ARG  96  14.265   8.655   7.006
  275    HA   ARG  96           HA       ARG  96  15.789  10.888   7.851
  276   1HB   ARG  96           HB2      ARG  96  14.489   8.708   9.517
  277   2HB   ARG  96           HB1      ARG  96  15.081  10.242  10.157
  278   1HG   ARG  96           HG2      ARG  96  13.524  11.088   8.063
  279   2HG   ARG  96           HG1      ARG  96  12.632   9.670   8.616
  280   1HD   ARG  96           HD2      ARG  96  13.519  11.993  10.353
  281   2HD   ARG  96           HD1      ARG  96  11.871  11.680   9.811
  282    HE   ARG  96           HE       ARG  96  12.603   9.342  11.114
  283   1HH1  ARG  96          HH21      ARG  96  14.285  10.399  13.059
  284   2HH1  ARG  96          HH22      ARG  96  13.263  11.173  14.223
  285   1HH2  ARG  96          HH11      ARG  96  10.524  11.336  12.103
  286   2HH2  ARG  96          HH12      ARG  96  11.133  11.703  13.682
  287    H    ARG  97           HN       ARG  97  16.328   7.408   8.467
  288    HA   ARG  97           HA       ARG  97  18.658   7.720  10.041
  289   1HB   ARG  97           HB2      ARG  97  17.391   5.554   9.589
  290   2HB   ARG  97           HB1      ARG  97  18.226   5.491   8.037
  291   1HG   ARG  97           HG2      ARG  97  20.044   6.013  10.272
  292   2HG   ARG  97           HG1      ARG  97  19.197   4.473  10.428
  293   1HD   ARG  97           HD2      ARG  97  20.560   5.321   7.865
  294   2HD   ARG  97           HD1      ARG  97  21.391   4.406   9.121
  295    HE   ARG  97           HE       ARG  97  19.924   3.129   7.212
  296   1HH1  ARG  97          HH21      ARG  97  20.589   2.551  10.365
  297   2HH1  ARG  97          HH22      ARG  97  19.177   1.611  10.716
  298   1HH2  ARG  97          HH11      ARG  97  17.582   2.411   7.742
  299   2HH2  ARG  97          HH12      ARG  97  17.474   1.533   9.230
  300    H    LEU  98           HN       LEU  98  18.335   7.403   6.501
  301    HA   LEU  98           HA       LEU  98  21.091   7.500   5.863
  302   1HB   LEU  98           HB2      LEU  98  18.602   7.710   4.454
  303   2HB   LEU  98           HB1      LEU  98  19.674   8.994   3.895
  304    HG   LEU  98           HG       LEU  98  20.732   6.198   4.208
  305   1HD1  LEU  98          HD13      LEU  98  18.743   7.155   2.247
  306   2HD1  LEU  98          HD12      LEU  98  20.157   6.378   1.535
  307   3HD1  LEU  98          HD11      LEU  98  19.167   5.506   2.706
  308   1HD2  LEU  98          HD22      LEU  98  21.489   8.753   2.886
  309   2HD2  LEU  98          HD21      LEU  98  22.513   7.527   3.634
  310   3HD2  LEU  98          HD23      LEU  98  21.882   7.275   2.007
  311    H    ILE  99           HN       ILE  99  18.765  10.197   6.235
  312    HA   ILE  99           HA       ILE  99  20.915  12.165   5.905
  313    HB   ILE  99           HB       ILE  99  19.018  13.773   6.564
  314   1HG1  ILE  99          HG12      ILE  99  17.123  11.568   5.926
  315   2HG1  ILE  99          HG11      ILE  99  17.810  11.571   7.549
  316   1HG2  ILE  99          HG23      ILE  99  19.758  13.030   4.197
  317   2HG2  ILE  99          HG22      ILE  99  18.320  12.009   4.217
  318   3HG2  ILE  99          HG21      ILE  99  18.161  13.759   4.360
  319   1HD1  ILE  99          HD12      ILE  99  17.180  14.197   7.298
  320   2HD1  ILE  99          HD11      ILE  99  15.921  13.480   6.291
  321   3HD1  ILE  99          HD13      ILE  99  16.079  13.001   7.981
  322    H    LYS 100           HN       LYS 100  18.825  13.198   8.370
  323    HA   LYS 100           HA       LYS 100  19.315  13.739  10.603
  324   1HB   LYS 100           HB2      LYS 100  19.150  10.961  10.274
  325   2HB   LYS 100           HB1      LYS 100  20.595  11.210  11.255
  326   1HG   LYS 100           HG2      LYS 100  19.052  11.244  12.954
  327   2HG   LYS 100           HG1      LYS 100  18.939  12.941  12.487
  328   1HD   LYS 100           HD2      LYS 100  17.236  11.490  10.736
  329   2HD   LYS 100           HD1      LYS 100  16.901  10.920  12.372
  330   1HE   LYS 100           HE2      LYS 100  17.219  13.851  12.086
  331   2HE   LYS 100           HE1      LYS 100  15.790  13.163  11.316
  332   1HZ   LYS 100           HZ1      LYS 100  15.884  11.909  13.719
  333   2HZ   LYS 100           HZ3      LYS 100  16.388  13.482  14.103
  334   3HZ   LYS 100           HZ2      LYS 100  14.893  13.234  13.336
  335    H    LYS 101           HN       LYS 101  21.289  13.256  12.338
  336    HA   LYS 101           HA       LYS 101  23.539  13.710  12.848
  337   1HB   LYS 101           HB2      LYS 101  23.793  11.858  11.019
  338   2HB   LYS 101           HB1      LYS 101  24.261  13.198   9.972
  339   1HG   LYS 101           HG2      LYS 101  25.736  13.727  12.220
  340   2HG   LYS 101           HG1      LYS 101  25.730  11.963  12.211
  341   1HD   LYS 101           HD2      LYS 101  26.771  11.844  10.108
  342   2HD   LYS 101           HD1      LYS 101  26.325  13.498   9.690
  343   1HE   LYS 101           HE2      LYS 101  28.731  13.325  10.255
  344   2HE   LYS 101           HE1      LYS 101  27.872  14.364  11.392
  345   1HZ   LYS 101           HZ2      LYS 101  27.582  12.145  12.686
  346   2HZ   LYS 101           HZ1      LYS 101  28.939  11.657  11.788
  347   3HZ   LYS 101           HZ3      LYS 101  29.038  13.013  12.803
  348   1H    VAL  62           HT3      VAL  62  -3.612  -5.433  -9.691
  349   2H    VAL  62           HT2      VAL  62  -2.779  -4.023  -9.238
  350   3H    VAL  62           HT1      VAL  62  -2.902  -5.325  -8.154
  351    HA   VAL  62           HA       VAL  62  -4.757  -4.493  -7.319
  352    HB   VAL  62           HB       VAL  62  -3.717  -2.318  -8.017
  353   1HG1  VAL  62          HG11      VAL  62  -4.354  -3.160 -10.562
  354   2HG1  VAL  62          HG13      VAL  62  -5.614  -1.969 -10.239
  355   3HG1  VAL  62          HG12      VAL  62  -3.915  -1.508 -10.128
  356   1HG2  VAL  62          HG22      VAL  62  -5.964  -2.549  -6.818
  357   2HG2  VAL  62          HG21      VAL  62  -5.709  -1.031  -7.679
  358   3HG2  VAL  62          HG23      VAL  62  -6.722  -2.288  -8.389
  359    H    GLN  63           HN       GLN  63  -5.403  -6.642  -8.673
  360    HA   GLN  63           HA       GLN  63  -7.132  -6.313 -10.939
  361   1HB   GLN  63           HB2      GLN  63  -6.921  -8.498  -8.849
  362   2HB   GLN  63           HB1      GLN  63  -8.002  -8.599 -10.238
  363   1HG   GLN  63           HG2      GLN  63  -4.979  -8.422 -10.257
  364   2HG   GLN  63           HG1      GLN  63  -5.990  -9.727 -10.879
  365   1HE2  GLN  63          HE22      GLN  63  -7.011  -7.794 -13.790
  366   2HE2  GLN  63          HE21      GLN  63  -7.660  -8.869 -12.647
  367    H    LEU  64           HN       LEU  64  -9.406  -6.144 -11.032
  368    HA   LEU  64           HA       LEU  64 -10.821  -5.742  -8.441
  369   1HB   LEU  64           HB2      LEU  64 -10.027  -3.609  -9.964
  370   2HB   LEU  64           HB1      LEU  64 -11.638  -3.919 -10.613
  371    HG   LEU  64           HG       LEU  64 -12.579  -3.847  -8.337
  372   1HD1  LEU  64          HD11      LEU  64  -9.701  -3.833  -7.659
  373   2HD1  LEU  64          HD13      LEU  64 -10.687  -2.708  -6.724
  374   3HD1  LEU  64          HD12      LEU  64 -11.075  -4.428  -6.726
  375   1HD2  LEU  64          HD23      LEU  64 -11.866  -1.726  -9.852
  376   2HD2  LEU  64          HD22      LEU  64 -12.682  -1.553  -8.298
  377   3HD2  LEU  64          HD21      LEU  64 -10.931  -1.369  -8.400
  378    H    ALA  65           HN       ALA  65 -10.680  -7.517 -11.140
  379    HA   ALA  65           HA       ALA  65 -13.483  -7.420 -11.970
  380   1HB   ALA  65           HB3      ALA  65 -11.055  -8.973 -12.731
  381   2HB   ALA  65           HB2      ALA  65 -12.618  -9.728 -13.043
  382   3HB   ALA  65           HB1      ALA  65 -12.237  -8.161 -13.758
  383    H    HIS  66           HN       HIS  66 -11.750  -8.871  -9.423
  384    HA   HIS  66           HA       HIS  66 -12.588 -10.200  -7.659
  385   1HB   HIS  66           HB2      HIS  66 -14.896  -9.250  -8.798
  386   2HB   HIS  66           HB1      HIS  66 -15.086 -10.990  -9.013
  387    HD1  HIS  66           HD1      HIS  66 -14.596  -8.385  -6.316
  388    HD2  HIS  66           HD2      HIS  66 -15.553 -12.429  -6.640
  389    HE1  HIS  66           HE1      HIS  66 -15.313  -9.138  -4.007
  390    H    HIS  67           HN       HIS  67 -11.483 -12.092  -7.607
  391    HA   HIS  67           HA       HIS  67 -12.366 -14.520  -8.654
  392   1HB   HIS  67           HB2      HIS  67 -11.078 -12.846 -10.677
  393   2HB   HIS  67           HB1      HIS  67 -10.285 -14.411 -10.497
  394    HD1  HIS  67           HD1      HIS  67 -12.814 -12.971 -12.452
  395    HD2  HIS  67           HD2      HIS  67 -12.611 -16.519 -10.273
  396    HE1  HIS  67           HE1      HIS  67 -14.602 -14.494 -13.397
  397    H    PHE  68           HN       PHE  68 -10.953 -13.456  -6.386
  398    HA   PHE  68           HA       PHE  68  -8.623 -15.302  -6.421
  399   1HB   PHE  68           HB2      PHE  68  -8.538 -12.367  -6.142
  400   2HB   PHE  68           HB1      PHE  68  -7.663 -13.241  -4.884
  401    HD1  PHE  68           HD1      PHE  68  -8.128 -13.184  -8.605
  402    HD2  PHE  68           HD2      PHE  68  -5.497 -14.011  -5.312
  403    HE1  PHE  68           HE1      PHE  68  -6.276 -13.624 -10.195
  404    HE2  PHE  68           HE2      PHE  68  -3.645 -14.449  -6.902
  405    HZ   PHE  68           HZ       PHE  68  -4.034 -14.256  -9.344
  406    H    SER  69           HN       SER  69  -9.341 -12.923  -3.926
  407    HA   SER  69           HA       SER  69  -9.782 -15.126  -2.015
  408   1HB   SER  69           HB2      SER  69  -9.570 -12.125  -1.669
  409   2HB   SER  69           HB1      SER  69  -9.845 -13.245  -0.338
  410    HG   SER  69           HG       SER  69  -7.887 -14.321  -1.079
  411    H    GLU  70           HN       GLU  70 -11.838 -15.943  -2.122
  412    HA   GLU  70           HA       GLU  70 -14.142 -14.385  -2.861
  413   1HB   GLU  70           HB2      GLU  70 -13.576 -17.140  -2.044
  414   2HB   GLU  70           HB1      GLU  70 -15.127 -16.552  -1.443
  415   1HG   GLU  70           HG2      GLU  70 -15.831 -17.226  -3.522
  416   2HG   GLU  70           HG1      GLU  70 -15.266 -15.615  -3.966
  417    HA   PRO  71           HA       PRO  71 -15.132 -14.577   1.892
  418   1HB   PRO  71           HB2      PRO  71 -12.603 -14.878   3.250
  419   2HB   PRO  71           HB1      PRO  71 -14.015 -15.942   3.318
  420   1HG   PRO  71           HG2      PRO  71 -11.515 -16.447   1.994
  421   2HG   PRO  71           HG1      PRO  71 -12.951 -17.479   2.016
  422   1HD   PRO  71           HD2      PRO  71 -11.922 -15.915  -0.180
  423   2HD   PRO  71           HD1      PRO  71 -13.344 -16.978  -0.168
  424    H    GLU  72           HN       GLU  72 -14.924 -12.740   3.354
  425    HA   GLU  72           HA       GLU  72 -13.832 -10.383   2.129
  426   1HB   GLU  72           HB2      GLU  72 -14.740 -10.848   4.986
  427   2HB   GLU  72           HB1      GLU  72 -14.440  -9.269   4.259
  428   1HG   GLU  72           HG2      GLU  72 -16.459  -9.261   3.260
  429   2HG   GLU  72           HG1      GLU  72 -16.198 -10.872   2.590
  430    H    ILE  73           HN       ILE  73 -12.972 -11.536   5.398
  431    HA   ILE  73           HA       ILE  73 -10.615 -10.216   5.783
  432    HB   ILE  73           HB       ILE  73 -11.769 -11.997   7.266
  433   1HG1  ILE  73          HG12      ILE  73  -9.040 -12.609   7.763
  434   2HG1  ILE  73          HG11      ILE  73  -9.106 -10.962   7.133
  435   1HG2  ILE  73          HG23      ILE  73 -11.437 -13.819   5.529
  436   2HG2  ILE  73          HG22      ILE  73  -9.719 -13.778   5.925
  437   3HG2  ILE  73          HG21      ILE  73 -10.897 -14.234   7.155
  438   1HD1  ILE  73          HD13      ILE  73 -11.170 -10.796   8.813
  439   2HD1  ILE  73          HD12      ILE  73 -10.287 -12.081   9.638
  440   3HD1  ILE  73          HD11      ILE  73  -9.517 -10.518   9.362
  441    H    THR  74           HN       THR  74 -10.980 -13.174   3.836
  442    HA   THR  74           HA       THR  74  -8.213 -13.525   3.247
  443    HB   THR  74           HB       THR  74  -9.202 -14.635   1.094
  444    HG1  THR  74           HG1      THR  74 -11.316 -13.408   2.008
  445   1HG2  THR  74          HG23      THR  74  -8.677 -15.527   3.617
  446   2HG2  THR  74          HG22      THR  74 -10.380 -15.955   3.458
  447   3HG2  THR  74          HG21      THR  74  -9.205 -16.566   2.294
  448    H    LEU  75           HN       LEU  75 -10.758 -11.734   1.471
  449    HA   LEU  75           HA       LEU  75  -8.875 -10.814  -0.544
  450   1HB   LEU  75           HB2      LEU  75 -11.582 -10.926  -0.477
  451   2HB   LEU  75           HB1      LEU  75 -11.341  -9.232  -0.051
  452    HG   LEU  75           HG       LEU  75 -10.435 -10.679  -2.544
  453   1HD1  LEU  75          HD11      LEU  75 -12.601  -8.965  -1.858
  454   2HD1  LEU  75          HD13      LEU  75 -11.528  -8.052  -2.918
  455   3HD1  LEU  75          HD12      LEU  75 -12.187  -9.599  -3.450
  456   1HD2  LEU  75          HD22      LEU  75  -9.485  -8.033  -1.410
  457   2HD2  LEU  75          HD21      LEU  75  -8.498  -9.425  -1.856
  458   3HD2  LEU  75          HD23      LEU  75  -9.300  -8.475  -3.107
  459    H    ILE  76           HN       ILE  76 -10.401  -9.224   2.307
  460    HA   ILE  76           HA       ILE  76  -9.148  -6.708   1.929
  461    HB   ILE  76           HB       ILE  76  -9.771  -8.068   4.569
  462   1HG1  ILE  76          HG12      ILE  76 -11.500  -6.116   3.037
  463   2HG1  ILE  76          HG11      ILE  76 -11.655  -7.862   2.834
  464   1HG2  ILE  76          HG21      ILE  76  -8.293  -6.050   4.682
  465   2HG2  ILE  76          HG23      ILE  76  -9.553  -5.127   3.862
  466   3HG2  ILE  76          HG22      ILE  76  -9.856  -5.806   5.461
  467   1HD1  ILE  76          HD11      ILE  76 -11.564  -7.061   5.648
  468   2HD1  ILE  76          HD13      ILE  76 -12.925  -6.347   4.782
  469   3HD1  ILE  76          HD12      ILE  76 -12.722  -8.099   4.815
  470    H    ILE  77           HN       ILE  77  -7.994  -9.539   3.814
  471    HA   ILE  77           HA       ILE  77  -5.516  -8.375   4.601
  472    HB   ILE  77           HB       ILE  77  -6.490 -10.565   5.441
  473   1HG1  ILE  77          HG12      ILE  77  -3.853 -11.494   4.823
  474   2HG1  ILE  77          HG11      ILE  77  -3.787  -9.746   5.054
  475   1HG2  ILE  77          HG23      ILE  77  -5.256 -11.598   2.874
  476   2HG2  ILE  77          HG22      ILE  77  -5.898 -12.594   4.178
  477   3HG2  ILE  77          HG21      ILE  77  -6.978 -11.559   3.249
  478   1HD1  ILE  77          HD11      ILE  77  -5.467 -10.578   7.093
  479   2HD1  ILE  77          HD13      ILE  77  -4.264 -11.865   7.020
  480   3HD1  ILE  77          HD12      ILE  77  -3.755 -10.196   7.271
  481    H    PHE  78           HN       PHE  78  -6.370 -10.314   1.751
  482    HA   PHE  78           HA       PHE  78  -3.821 -10.334   0.509
  483   1HB   PHE  78           HB2      PHE  78  -6.608 -10.765  -0.369
  484   2HB   PHE  78           HB1      PHE  78  -5.527 -10.191  -1.637
  485    HD1  PHE  78           HD2      PHE  78  -5.709 -12.722   1.120
  486    HD2  PHE  78           HD1      PHE  78  -4.111 -11.699  -2.734
  487    HE1  PHE  78           HE2      PHE  78  -4.719 -14.988   0.929
  488    HE2  PHE  78           HE1      PHE  78  -3.120 -13.965  -2.925
  489    HZ   PHE  78           HZ       PHE  78  -3.424 -15.609  -1.093
  490    H    GLY  79           HN       GLY  79  -6.482  -7.972   0.185
  491   1HA   GLY  79           HA2      GLY  79  -5.238  -6.277  -1.708
  492   2HA   GLY  79           HA1      GLY  79  -6.412  -5.728  -0.509
  493    H    VAL  80           HN       VAL  80  -5.050  -6.174   1.877
  494    HA   VAL  80           HA       VAL  80  -3.339  -3.915   2.052
  495    HB   VAL  80           HB       VAL  80  -3.423  -6.383   3.812
  496   1HG1  VAL  80          HG11      VAL  80  -1.462  -4.506   3.823
  497   2HG1  VAL  80          HG13      VAL  80  -2.640  -3.727   4.880
  498   3HG1  VAL  80          HG12      VAL  80  -2.020  -5.330   5.280
  499   1HG2  VAL  80          HG23      VAL  80  -5.463  -4.656   3.328
  500   2HG2  VAL  80          HG22      VAL  80  -5.215  -5.438   4.890
  501   3HG2  VAL  80          HG21      VAL  80  -4.635  -3.793   4.625
  502    H    MET  81           HN       MET  81  -2.526  -7.384   1.778
  503    HA   MET  81           HA       MET  81   0.303  -7.083   1.716
  504   1HB   MET  81           HB2      MET  81  -1.419  -9.108   0.246
  505   2HB   MET  81           HB1      MET  81   0.313  -9.261   0.545
  506   1HG   MET  81           HG2      MET  81  -0.280  -8.977   3.041
  507   2HG   MET  81           HG1      MET  81  -1.942  -9.304   2.551
  508   1HE   MET  81           HE3      MET  81  -1.679 -11.018   0.175
  509   2HE   MET  81           HE2      MET  81  -1.569 -12.701   0.682
  510   3HE   MET  81           HE1      MET  81  -2.754 -11.637   1.436
  511    H    ALA  82           HN       ALA  82  -2.089  -7.106  -0.910
  512    HA   ALA  82           HA       ALA  82  -0.309  -6.728  -3.072
  513   1HB   ALA  82           HB1      ALA  82  -3.190  -6.522  -2.638
  514   2HB   ALA  82           HB3      ALA  82  -2.609  -5.323  -3.797
  515   3HB   ALA  82           HB2      ALA  82  -2.304  -7.036  -4.071
  516    H    GLY  83           HN       GLY  83  -1.959  -4.251  -1.046
  517   1HA   GLY  83           HA2      GLY  83  -1.004  -1.990  -2.448
  518   2HA   GLY  83           HA1      GLY  83  -1.383  -2.001  -0.724
  519    H    VAL  84           HN       VAL  84   0.511  -3.764   0.285
  520    HA   VAL  84           HA       VAL  84   2.835  -2.138   0.466
  521    HB   VAL  84           HB       VAL  84   2.627  -5.137   0.885
  522   1HG1  VAL  84          HG11      VAL  84   4.950  -4.138   0.677
  523   2HG1  VAL  84          HG13      VAL  84   4.576  -3.160   2.096
  524   3HG1  VAL  84          HG12      VAL  84   4.615  -4.918   2.223
  525   1HG2  VAL  84          HG21      VAL  84   2.089  -2.749   2.660
  526   2HG2  VAL  84          HG23      VAL  84   1.021  -4.109   2.311
  527   3HG2  VAL  84          HG22      VAL  84   2.445  -4.343   3.325
  528    H    ILE  85           HN       ILE  85   2.245  -5.061  -1.515
  529    HA   ILE  85           HA       ILE  85   4.772  -5.164  -2.790
  530    HB   ILE  85           HB       ILE  85   2.024  -5.936  -3.808
  531   1HG1  ILE  85          HG12      ILE  85   4.232  -7.795  -2.959
  532   2HG1  ILE  85          HG11      ILE  85   3.209  -7.038  -1.737
  533   1HG2  ILE  85          HG22      ILE  85   4.789  -6.370  -4.957
  534   2HG2  ILE  85          HG21      ILE  85   3.422  -7.401  -5.379
  535   3HG2  ILE  85          HG23      ILE  85   3.377  -5.679  -5.757
  536   1HD1  ILE  85          HD12      ILE  85   1.231  -7.862  -3.220
  537   2HD1  ILE  85          HD11      ILE  85   2.426  -8.950  -3.927
  538   3HD1  ILE  85          HD13      ILE  85   2.067  -9.036  -2.203
  539    H    GLY  86           HN       GLY  86   1.797  -3.448  -3.806
  540   1HA   GLY  86           HA2      GLY  86   2.794  -2.378  -6.223
  541   2HA   GLY  86           HA1      GLY  86   1.538  -1.618  -5.246
  542    H    THR  87           HN       THR  87   2.914  -0.981  -2.928
  543    HA   THR  87           HA       THR  87   4.232   1.430  -3.624
  544    HB   THR  87           HB       THR  87   4.711  -0.166  -1.092
  545    HG1  THR  87           HG1      THR  87   2.509   0.049  -1.395
  546   1HG2  THR  87          HG23      THR  87   6.132   1.870  -1.587
  547   2HG2  THR  87          HG22      THR  87   4.650   2.825  -1.553
  548   3HG2  THR  87          HG21      THR  87   5.185   1.977  -0.103
  549    H    ILE  88           HN       ILE  88   5.617  -1.738  -2.710
  550    HA   ILE  88           HA       ILE  88   8.350  -1.005  -2.909
  551    HB   ILE  88           HB       ILE  88   6.940  -3.631  -3.446
  552   1HG1  ILE  88          HG12      ILE  88   8.772  -2.839  -1.172
  553   2HG1  ILE  88          HG11      ILE  88   7.029  -2.578  -1.110
  554   1HG2  ILE  88          HG23      ILE  88   9.647  -2.830  -4.090
  555   2HG2  ILE  88          HG22      ILE  88   9.657  -4.087  -2.854
  556   3HG2  ILE  88          HG21      ILE  88   8.845  -4.371  -4.394
  557   1HD1  ILE  88          HD12      ILE  88   6.690  -5.011  -1.557
  558   2HD1  ILE  88          HD11      ILE  88   8.437  -5.237  -1.482
  559   3HD1  ILE  88          HD13      ILE  88   7.554  -4.710  -0.049
  560    H    LEU  89           HN       LEU  89   6.142  -2.284  -5.406
  561    HA   LEU  89           HA       LEU  89   7.997  -2.326  -7.544
  562   1HB   LEU  89           HB2      LEU  89   6.155  -3.226  -8.485
  563   2HB   LEU  89           HB1      LEU  89   5.143  -2.598  -7.191
  564    HG   LEU  89           HG       LEU  89   5.163  -0.370  -8.435
  565   1HD1  LEU  89          HD12      LEU  89   6.508  -2.172 -10.445
  566   2HD1  LEU  89          HD11      LEU  89   5.575  -0.770 -10.966
  567   3HD1  LEU  89          HD13      LEU  89   6.984  -0.555  -9.928
  568   1HD2  LEU  89          HD22      LEU  89   3.685  -2.796  -8.908
  569   2HD2  LEU  89          HD21      LEU  89   3.118  -1.128  -8.999
  570   3HD2  LEU  89          HD23      LEU  89   3.827  -1.898 -10.419
  571    H    LEU  90           HN       LEU  90   5.837   0.299  -6.448
  572    HA   LEU  90           HA       LEU  90   6.541   2.210  -8.426
  573   1HB   LEU  90           HB2      LEU  90   4.715   2.439  -6.679
  574   2HB   LEU  90           HB1      LEU  90   5.977   2.842  -5.514
  575    HG   LEU  90           HG       LEU  90   6.672   4.749  -6.888
  576   1HD1  LEU  90          HD11      LEU  90   4.691   3.538  -8.785
  577   2HD1  LEU  90          HD13      LEU  90   4.914   5.287  -8.796
  578   3HD1  LEU  90          HD12      LEU  90   6.282   4.222  -9.117
  579   1HD2  LEU  90          HD23      LEU  90   4.233   4.500  -5.493
  580   2HD2  LEU  90          HD22      LEU  90   5.093   5.995  -5.867
  581   3HD2  LEU  90          HD21      LEU  90   3.848   5.396  -6.963
  582    H    ILE  91           HN       ILE  91   8.053   1.599  -5.237
  583    HA   ILE  91           HA       ILE  91  10.044   3.614  -5.405
  584    HB   ILE  91           HB       ILE  91  10.199   0.868  -4.124
  585   1HG1  ILE  91          HG12      ILE  91   9.663   3.545  -2.819
  586   2HG1  ILE  91          HG11      ILE  91   8.362   2.507  -3.405
  587   1HG2  ILE  91          HG22      ILE  91  12.100   3.112  -4.326
  588   2HG2  ILE  91          HG21      ILE  91  11.817   2.552  -2.678
  589   3HG2  ILE  91          HG23      ILE  91  12.392   1.425  -3.906
  590   1HD1  ILE  91          HD13      ILE  91   9.693   0.667  -2.008
  591   2HD1  ILE  91          HD12      ILE  91  10.236   2.088  -1.116
  592   3HD1  ILE  91          HD11      ILE  91   8.513   1.727  -1.236
  593    H    SER  92           HN       SER  92  10.178   0.205  -6.506
  594    HA   SER  92           HA       SER  92  12.832   0.306  -7.510
  595   1HB   SER  92           HB2      SER  92  10.999  -1.212  -9.218
  596   2HB   SER  92           HB1      SER  92  12.365  -1.781  -8.262
  597    HG   SER  92           HG       SER  92   9.960  -2.294  -7.718
  598    H    TYR  93           HN       TYR  93   9.732   1.039  -9.117
  599    HA   TYR  93           HA       TYR  93  10.796   1.784 -11.639
  600   1HB   TYR  93           HB2      TYR  93   8.275   1.978 -10.270
  601   2HB   TYR  93           HB1      TYR  93   8.623   3.520 -11.053
  602    HD1  TYR  93           HD2      TYR  93   8.789  -0.167 -11.745
  603    HD2  TYR  93           HD1      TYR  93   8.107   3.774 -13.313
  604    HE1  TYR  93           HE2      TYR  93   8.195  -1.145 -13.945
  605    HE2  TYR  93           HE1      TYR  93   7.512   2.796 -15.513
  606    HH   TYR  93           HH       TYR  93   6.527   0.226 -16.175
  607    H    GLY  94           HN       GLY  94  10.163   3.800  -8.742
  608   1HA   GLY  94           HA2      GLY  94  11.042   6.267  -9.821
  609   2HA   GLY  94           HA1      GLY  94  11.108   5.851  -8.108
  610    H    ILE  95           HN       ILE  95  12.890   3.754  -8.075
  611    HA   ILE  95           HA       ILE  95  15.413   5.057  -8.171
  612    HB   ILE  95           HB       ILE  95  14.585   2.159  -8.056
  613   1HG1  ILE  95          HG12      ILE  95  16.208   2.677  -5.934
  614   2HG1  ILE  95          HG11      ILE  95  15.549   4.286  -6.228
  615   1HG2  ILE  95          HG22      ILE  95  17.323   3.285  -8.571
  616   2HG2  ILE  95          HG21      ILE  95  17.153   1.842  -7.572
  617   3HG2  ILE  95          HG23      ILE  95  16.574   1.835  -9.238
  618   1HD1  ILE  95          HD11      ILE  95  13.693   1.929  -6.189
  619   2HD1  ILE  95          HD13      ILE  95  14.256   2.609  -4.662
  620   3HD1  ILE  95          HD12      ILE  95  13.361   3.616  -5.799
  621    H    ARG  96           HN       ARG  96  13.914   2.814 -10.510
  622    HA   ARG  96           HA       ARG  96  16.036   2.776 -12.395
  623   1HB   ARG  96           HB2      ARG  96  13.859   1.382 -12.392
  624   2HB   ARG  96           HB1      ARG  96  13.121   2.766 -13.202
  625   1HG   ARG  96           HG2      ARG  96  15.695   2.023 -14.377
  626   2HG   ARG  96           HG1      ARG  96  14.514   0.714 -14.452
  627   1HD   ARG  96           HD2      ARG  96  14.191   3.537 -15.501
  628   2HD   ARG  96           HD1      ARG  96  14.227   2.045 -16.441
  629    HE   ARG  96           HE       ARG  96  12.092   1.683 -14.714
  630   1HH1  ARG  96          HH21      ARG  96  12.432   2.627 -17.792
  631   2HH1  ARG  96          HH22      ARG  96  11.118   3.754 -17.840
  632   1HH2  ARG  96          HH11      ARG  96  10.664   3.775 -14.402
  633   2HH2  ARG  96          HH12      ARG  96  10.117   4.404 -15.921
  634    H    ARG  97           HN       ARG  97  13.240   5.018 -12.182
  635    HA   ARG  97           HA       ARG  97  13.888   6.563 -14.474
  636   1HB   ARG  97           HB2      ARG  97  11.793   6.802 -13.082
  637   2HB   ARG  97           HB1      ARG  97  12.763   7.633 -11.865
  638   1HG   ARG  97           HG2      ARG  97  13.007   9.523 -13.149
  639   2HG   ARG  97           HG1      ARG  97  12.990   8.621 -14.665
  640   1HD   ARG  97           HD2      ARG  97  10.547   8.224 -14.361
  641   2HD   ARG  97           HD1      ARG  97  10.591   9.225 -12.910
  642    HE   ARG  97           HE       ARG  97  10.155  10.343 -15.359
  643   1HH1  ARG  97          HH21      ARG  97  12.841  10.691 -16.188
  644   2HH1  ARG  97          HH22      ARG  97  13.393  12.112 -15.366
  645   1HH2  ARG  97          HH11      ARG  97  10.860  12.050 -12.998
  646   2HH2  ARG  97          HH12      ARG  97  12.272  12.881 -13.560
  647    H    LEU  98           HN       LEU  98  14.920   6.916 -11.084
  648    HA   LEU  98           HA       LEU  98  16.650   9.145 -11.445
  649   1HB   LEU  98           HB2      LEU  98  16.353   6.952  -9.463
  650   2HB   LEU  98           HB1      LEU  98  17.947   7.705  -9.533
  651    HG   LEU  98           HG       LEU  98  15.453   9.392  -9.423
  652   1HD1  LEU  98          HD13      LEU  98  16.547   7.663  -7.331
  653   2HD1  LEU  98          HD12      LEU  98  16.502   9.359  -6.848
  654   3HD1  LEU  98          HD11      LEU  98  15.023   8.549  -7.368
  655   1HD2  LEU  98          HD21      LEU  98  17.903  10.179  -9.945
  656   2HD2  LEU  98          HD23      LEU  98  16.927  11.106  -8.806
  657   3HD2  LEU  98          HD22      LEU  98  18.144   9.978  -8.209
  658    H    ILE  99           HN       ILE  99  17.214   5.664 -11.675
  659    HA   ILE  99           HA       ILE  99  18.603   4.544 -13.241
  660    HB   ILE  99           HB       ILE  99  20.149   7.134 -13.498
  661   1HG1  ILE  99          HG12      ILE  99  18.544   6.270 -15.777
  662   2HG1  ILE  99          HG11      ILE  99  17.542   6.589 -14.360
  663   1HG2  ILE  99          HG23      ILE  99  20.438   4.401 -14.514
  664   2HG2  ILE  99          HG22      ILE  99  20.427   5.615 -15.793
  665   3HG2  ILE  99          HG21      ILE  99  21.611   5.717 -14.489
  666   1HD1  ILE  99          HD11      ILE  99  19.588   8.631 -14.670
  667   2HD1  ILE  99          HD13      ILE  99  18.601   8.500 -16.126
  668   3HD1  ILE  99          HD12      ILE  99  17.837   8.817 -14.568
  669    H    LYS 100           HN       LYS 100  19.426   3.178 -11.766
  670    HA   LYS 100           HA       LYS 100  21.311   4.100  -9.710
  671   1HB   LYS 100           HB2      LYS 100  19.457   2.159  -9.662
  672   2HB   LYS 100           HB1      LYS 100  20.832   1.196 -10.209
  673   1HG   LYS 100           HG2      LYS 100  22.161   2.147  -8.286
  674   2HG   LYS 100           HG1      LYS 100  20.669   2.879  -7.695
  675   1HD   LYS 100           HD2      LYS 100  20.059   0.934  -6.746
  676   2HD   LYS 100           HD1      LYS 100  20.164   0.120  -8.307
  677   1HE   LYS 100           HE2      LYS 100  22.674  -0.020  -7.940
  678   2HE   LYS 100           HE1      LYS 100  22.381   0.521  -6.287
  679   1HZ   LYS 100           HZ1      LYS 100  21.169  -1.879  -7.546
  680   2HZ   LYS 100           HZ3      LYS 100  22.466  -1.897  -6.454
  681   3HZ   LYS 100           HZ2      LYS 100  20.935  -1.366  -5.943
  682    H    LYS 101           HN       LYS 101  23.477   4.146 -10.018
  683    HA   LYS 101           HA       LYS 101  25.599   3.668 -10.907
  684   1HB   LYS 101           HB2      LYS 101  24.207   1.147 -11.871
  685   2HB   LYS 101           HB1      LYS 101  25.946   1.420 -11.906
  686   1HG   LYS 101           HG2      LYS 101  24.277   1.501  -9.375
  687   2HG   LYS 101           HG1      LYS 101  25.178   0.088  -9.919
  688   1HD   LYS 101           HD2      LYS 101  27.232   1.047  -9.477
  689   2HD   LYS 101           HD1      LYS 101  26.641   2.688  -9.734
  690   1HE   LYS 101           HE2      LYS 101  26.981   2.522  -7.387
  691   2HE   LYS 101           HE1      LYS 101  25.240   2.346  -7.609
  692   1HZ   LYS 101           HZ3      LYS 101  26.333  -0.186  -7.858
  693   2HZ   LYS 101           HZ2      LYS 101  27.082   0.513  -6.503
  694   3HZ   LYS 101           HZ1      LYS 101  25.388   0.407  -6.580
   
  No H/Q in entry =         694
  Start of MODEL    2
    1   1H    VAL  62           HT2      VAL  62 -25.196  -9.251  26.173
    2   2H    VAL  62           HT1      VAL  62 -25.014  -7.580  25.925
    3   3H    VAL  62           HT3      VAL  62 -26.103  -8.148  27.094
    4    HA   VAL  62           HA       VAL  62 -27.575  -9.001  25.481
    5    HB   VAL  62           HB       VAL  62 -27.793  -6.603  25.798
    6   1HG1  VAL  62          HG11      VAL  62 -25.261  -6.609  24.325
    7   2HG1  VAL  62          HG13      VAL  62 -26.401  -5.413  23.710
    8   3HG1  VAL  62          HG12      VAL  62 -25.924  -5.385  25.407
    9   1HG2  VAL  62          HG23      VAL  62 -27.830  -7.409  22.872
   10   2HG2  VAL  62          HG22      VAL  62 -29.162  -7.555  24.018
   11   3HG2  VAL  62          HG21      VAL  62 -28.602  -5.959  23.515
   12    H    GLN  63           HN       GLN  63 -24.383  -8.274  24.228
   13    HA   GLN  63           HA       GLN  63 -24.477 -10.340  22.273
   14   1HB   GLN  63           HB2      GLN  63 -26.087  -8.942  21.097
   15   2HB   GLN  63           HB1      GLN  63 -25.013  -7.548  21.215
   16   1HG   GLN  63           HG2      GLN  63 -24.742  -8.449  19.003
   17   2HG   GLN  63           HG1      GLN  63 -23.297  -8.889  19.914
   18   1HE2  GLN  63          HE22      GLN  63 -23.823 -12.260  19.047
   19   2HE2  GLN  63          HE21      GLN  63 -22.746 -10.952  19.146
   20    H    LEU  64           HN       LEU  64 -22.418 -10.656  21.400
   21    HA   LEU  64           HA       LEU  64 -20.267  -9.070  22.588
   22   1HB   LEU  64           HB2      LEU  64 -20.526 -11.688  21.614
   23   2HB   LEU  64           HB1      LEU  64 -19.422 -10.896  20.489
   24    HG   LEU  64           HG       LEU  64 -18.959 -10.356  23.375
   25   1HD1  LEU  64          HD13      LEU  64 -19.087 -13.064  22.266
   26   2HD1  LEU  64          HD12      LEU  64 -17.505 -12.682  22.945
   27   3HD1  LEU  64          HD11      LEU  64 -18.950 -12.546  23.947
   28   1HD2  LEU  64          HD23      LEU  64 -17.496 -10.483  20.815
   29   2HD2  LEU  64          HD22      LEU  64 -17.208  -9.465  22.225
   30   3HD2  LEU  64          HD21      LEU  64 -16.599 -11.119  22.193
   31    H    ALA  65           HN       ALA  65 -21.256  -9.833  19.234
   32    HA   ALA  65           HA       ALA  65 -21.008  -8.580  17.271
   33   1HB   ALA  65           HB3      ALA  65 -21.772  -6.763  19.161
   34   2HB   ALA  65           HB2      ALA  65 -20.217  -6.094  18.665
   35   3HB   ALA  65           HB1      ALA  65 -21.485  -6.358  17.469
   36    H    HIS  66           HN       HIS  66 -18.903 -10.063  17.603
   37    HA   HIS  66           HA       HIS  66 -16.389  -9.141  18.263
   38   1HB   HIS  66           HB2      HIS  66 -17.436 -11.193  16.582
   39   2HB   HIS  66           HB1      HIS  66 -16.140 -10.391  15.696
   40    HD1  HIS  66           HD1      HIS  66 -14.212  -9.685  17.943
   41    HD2  HIS  66           HD2      HIS  66 -16.136 -13.375  17.702
   42    HE1  HIS  66           HE1      HIS  66 -12.810 -11.312  19.283
   43    H    HIS  67           HN       HIS  67 -17.725  -8.798  14.949
   44    HA   HIS  67           HA       HIS  67 -16.612  -6.071  14.806
   45   1HB   HIS  67           HB2      HIS  67 -15.002  -8.136  13.970
   46   2HB   HIS  67           HB1      HIS  67 -15.826  -7.694  12.475
   47    HD1  HIS  67           HD1      HIS  67 -13.874  -6.451  11.382
   48    HD2  HIS  67           HD2      HIS  67 -14.811  -4.986  15.171
   49    HE1  HIS  67           HE1      HIS  67 -12.566  -4.300  11.662
   50    H    PHE  68           HN       PHE  68 -19.061  -5.900  14.700
   51    HA   PHE  68           HA       PHE  68 -20.587  -6.914  12.529
   52   1HB   PHE  68           HB2      PHE  68 -21.055  -5.235  14.709
   53   2HB   PHE  68           HB1      PHE  68 -21.369  -4.212  13.307
   54    HD1  PHE  68           HD2      PHE  68 -22.035  -7.716  14.484
   55    HD2  PHE  68           HD1      PHE  68 -23.493  -4.280  12.360
   56    HE1  PHE  68           HE2      PHE  68 -24.210  -8.854  14.138
   57    HE2  PHE  68           HE1      PHE  68 -25.670  -5.418  12.014
   58    HZ   PHE  68           HZ       PHE  68 -26.028  -7.704  12.903
   59    H    SER  69           HN       SER  69 -19.127  -6.701  10.679
   60    HA   SER  69           HA       SER  69 -18.738  -3.903   9.733
   61   1HB   SER  69           HB2      SER  69 -17.046  -4.795   8.249
   62   2HB   SER  69           HB1      SER  69 -16.752  -5.440   9.861
   63    HG   SER  69           HG       SER  69 -17.673  -6.697   7.548
   64    H    GLU  70           HN       GLU  70 -18.410  -4.814   6.965
   65    HA   GLU  70           HA       GLU  70 -20.555  -6.199   5.854
   66   1HB   GLU  70           HB2      GLU  70 -21.505  -3.876   7.161
   67   2HB   GLU  70           HB1      GLU  70 -21.580  -3.535   5.432
   68   1HG   GLU  70           HG2      GLU  70 -22.697  -6.029   6.748
   69   2HG   GLU  70           HG1      GLU  70 -23.657  -4.628   6.273
   70    HA   PRO  71           HA       PRO  71 -19.024  -2.822   2.697
   71   1HB   PRO  71           HB2      PRO  71 -16.840  -1.471   4.052
   72   2HB   PRO  71           HB1      PRO  71 -18.293  -0.764   3.331
   73   1HG   PRO  71           HG2      PRO  71 -17.720  -1.030   6.115
   74   2HG   PRO  71           HG1      PRO  71 -19.234  -0.478   5.388
   75   1HD   PRO  71           HD2      PRO  71 -18.698  -2.992   6.721
   76   2HD   PRO  71           HD1      PRO  71 -20.242  -2.394   6.082
   77    H    GLU  72           HN       GLU  72 -18.277  -5.024   2.127
   78    HA   GLU  72           HA       GLU  72 -15.724  -6.038   2.969
   79   1HB   GLU  72           HB2      GLU  72 -17.443  -6.653   0.552
   80   2HB   GLU  72           HB1      GLU  72 -15.978  -7.547   0.961
   81   1HG   GLU  72           HG2      GLU  72 -17.044  -8.724   2.564
   82   2HG   GLU  72           HG1      GLU  72 -17.734  -7.261   3.267
   83    H    ILE  73           HN       ILE  73 -16.535  -5.056  -0.380
   84    HA   ILE  73           HA       ILE  73 -13.895  -4.689  -1.232
   85    HB   ILE  73           HB       ILE  73 -15.484  -4.664  -2.939
   86   1HG1  ILE  73          HG12      ILE  73 -13.773  -2.683  -2.942
   87   2HG1  ILE  73          HG11      ILE  73 -15.082  -2.690  -4.120
   88   1HG2  ILE  73          HG23      ILE  73 -17.063  -3.200  -0.953
   89   2HG2  ILE  73          HG22      ILE  73 -17.274  -2.583  -2.591
   90   3HG2  ILE  73          HG21      ILE  73 -17.597  -4.281  -2.240
   91   1HD1  ILE  73          HD13      ILE  73 -15.873  -1.432  -1.605
   92   2HD1  ILE  73          HD12      ILE  73 -14.495  -0.624  -2.347
   93   3HD1  ILE  73          HD11      ILE  73 -15.997  -0.814  -3.251
   94    H    THR  74           HN       THR  74 -16.031  -2.406   0.460
   95    HA   THR  74           HA       THR  74 -14.347  -0.113   0.234
   96    HB   THR  74           HB       THR  74 -16.342  -0.950   2.350
   97    HG1  THR  74           HG1      THR  74 -16.631   1.258   0.695
   98   1HG2  THR  74          HG22      THR  74 -14.830   1.658   2.055
   99   2HG2  THR  74          HG21      THR  74 -16.217   1.420   3.118
  100   3HG2  THR  74          HG23      THR  74 -14.722   0.530   3.407
  101    H    LEU  75           HN       LEU  75 -14.527  -2.642   2.743
  102    HA   LEU  75           HA       LEU  75 -12.343  -1.581   4.303
  103   1HB   LEU  75           HB2      LEU  75 -14.196  -3.506   4.787
  104   2HB   LEU  75           HB1      LEU  75 -12.815  -4.515   4.356
  105    HG   LEU  75           HG       LEU  75 -12.994  -2.454   6.563
  106   1HD1  LEU  75          HD11      LEU  75 -13.400  -5.222   6.481
  107   2HD1  LEU  75          HD13      LEU  75 -11.772  -5.036   7.135
  108   3HD1  LEU  75          HD12      LEU  75 -13.137  -4.247   7.926
  109   1HD2  LEU  75          HD23      LEU  75 -10.609  -3.626   5.159
  110   2HD2  LEU  75          HD22      LEU  75 -10.856  -1.983   5.751
  111   3HD2  LEU  75          HD21      LEU  75 -10.513  -3.287   6.887
  112    H    ILE  76           HN       ILE  76 -12.518  -4.176   1.840
  113    HA   ILE  76           HA       ILE  76  -9.785  -4.915   1.938
  114    HB   ILE  76           HB       ILE  76 -11.517  -4.767  -0.550
  115   1HG1  ILE  76          HG12      ILE  76 -11.170  -7.148   1.282
  116   2HG1  ILE  76          HG11      ILE  76 -12.491  -5.999   1.492
  117   1HG2  ILE  76          HG21      ILE  76  -8.901  -5.263  -0.505
  118   2HG2  ILE  76          HG23      ILE  76  -9.454  -6.866  -0.018
  119   3HG2  ILE  76          HG22      ILE  76  -9.983  -6.178  -1.554
  120   1HD1  ILE  76          HD12      ILE  76 -12.169  -6.874  -1.287
  121   2HD1  ILE  76          HD11      ILE  76 -12.541  -8.200  -0.184
  122   3HD1  ILE  76          HD13      ILE  76 -13.623  -6.812  -0.292
  123    H    ILE  77           HN       ILE  77 -11.399  -2.414  -0.052
  124    HA   ILE  77           HA       ILE  77  -9.066  -1.462  -1.365
  125    HB   ILE  77           HB       ILE  77 -11.588  -0.020  -0.496
  126   1HG1  ILE  77          HG12      ILE  77 -10.622  -1.123  -3.156
  127   2HG1  ILE  77          HG11      ILE  77 -11.922  -1.786  -2.165
  128   1HG2  ILE  77          HG22      ILE  77  -9.639   1.533  -0.778
  129   2HG2  ILE  77          HG21      ILE  77  -9.450   0.933  -2.425
  130   3HG2  ILE  77          HG23      ILE  77 -10.916   1.799  -1.965
  131   1HD1  ILE  77          HD12      ILE  77 -13.021   0.533  -2.360
  132   2HD1  ILE  77          HD11      ILE  77 -11.866   0.838  -3.657
  133   3HD1  ILE  77          HD13      ILE  77 -13.031  -0.478  -3.805
  134    H    PHE  78           HN       PHE  78 -10.570  -0.459   1.701
  135    HA   PHE  78           HA       PHE  78  -8.714   1.559   2.411
  136   1HB   PHE  78           HB2      PHE  78 -10.527  -0.252   3.976
  137   2HB   PHE  78           HB1      PHE  78  -9.346   0.733   4.837
  138    HD1  PHE  78           HD2      PHE  78  -9.189   3.255   3.751
  139    HD2  PHE  78           HD1      PHE  78 -12.641   0.699   3.788
  140    HE1  PHE  78           HE2      PHE  78 -10.660   5.238   3.519
  141    HE2  PHE  78           HE1      PHE  78 -14.111   2.682   3.555
  142    HZ   PHE  78           HZ       PHE  78 -13.121   4.952   3.421
  143    H    GLY  79           HN       GLY  79  -8.665  -1.937   3.156
  144   1HA   GLY  79           HA2      GLY  79  -6.279  -1.946   4.679
  145   2HA   GLY  79           HA1      GLY  79  -6.851  -3.319   3.730
  146    H    VAL  80           HN       VAL  80  -6.683  -2.338   1.133
  147    HA   VAL  80           HA       VAL  80  -3.930  -2.661   0.525
  148    HB   VAL  80           HB       VAL  80  -6.044  -1.238  -1.119
  149   1HG1  VAL  80          HG12      VAL  80  -3.340  -2.428  -1.769
  150   2HG1  VAL  80          HG11      VAL  80  -4.558  -2.120  -3.005
  151   3HG1  VAL  80          HG13      VAL  80  -3.899  -0.782  -2.065
  152   1HG2  VAL  80          HG22      VAL  80  -6.041  -3.873  -0.215
  153   2HG2  VAL  80          HG21      VAL  80  -6.920  -3.271  -1.621
  154   3HG2  VAL  80          HG23      VAL  80  -5.324  -3.993  -1.822
  155    H    MET  81           HN       MET  81  -5.887   0.320   0.734
  156    HA   MET  81           HA       MET  81  -3.789   2.163   0.185
  157   1HB   MET  81           HB2      MET  81  -6.295   2.377   1.871
  158   2HB   MET  81           HB1      MET  81  -5.201   3.741   1.633
  159   1HG   MET  81           HG2      MET  81  -5.520   2.850  -0.938
  160   2HG   MET  81           HG1      MET  81  -7.108   2.512  -0.252
  161   1HE   MET  81           HE2      MET  81  -8.670   3.849   0.498
  162   2HE   MET  81           HE1      MET  81  -7.944   4.855   1.749
  163   3HE   MET  81           HE3      MET  81  -8.814   5.602   0.402
  164    H    ALA  82           HN       ALA  82  -4.946   0.809   3.258
  165    HA   ALA  82           HA       ALA  82  -3.137   2.133   4.977
  166   1HB   ALA  82           HB1      ALA  82  -4.956  -0.141   5.165
  167   2HB   ALA  82           HB3      ALA  82  -3.498  -0.384   6.132
  168   3HB   ALA  82           HB2      ALA  82  -4.504   1.038   6.392
  169    H    GLY  83           HN       GLY  83  -2.739  -1.012   3.272
  170   1HA   GLY  83           HA2      GLY  83  -0.211  -1.660   4.363
  171   2HA   GLY  83           HA1      GLY  83  -0.759  -2.160   2.761
  172    H    VAL  84           HN       VAL  84  -0.987   0.266   1.431
  173    HA   VAL  84           HA       VAL  84   1.701   0.829   0.701
  174    HB   VAL  84           HB       VAL  84  -0.745   2.605   0.430
  175   1HG1  VAL  84          HG11      VAL  84   2.048   3.016  -0.217
  176   2HG1  VAL  84          HG13      VAL  84   1.069   3.012  -1.684
  177   3HG1  VAL  84          HG12      VAL  84   0.696   4.136  -0.378
  178   1HG2  VAL  84          HG23      VAL  84  -0.810   0.266  -0.593
  179   2HG2  VAL  84          HG22      VAL  84  -1.033   1.598  -1.728
  180   3HG2  VAL  84          HG21      VAL  84   0.526   0.778  -1.624
  181    H    ILE  85           HN       ILE  85  -0.499   2.648   2.864
  182    HA   ILE  85           HA       ILE  85   1.309   4.715   3.569
  183    HB   ILE  85           HB       ILE  85  -0.932   3.394   5.116
  184   1HG1  ILE  85          HG12      ILE  85  -0.695   6.125   3.813
  185   2HG1  ILE  85          HG11      ILE  85  -1.467   4.728   3.058
  186   1HG2  ILE  85          HG23      ILE  85   0.759   5.806   5.840
  187   2HG2  ILE  85          HG22      ILE  85  -0.771   5.403   6.619
  188   3HG2  ILE  85          HG21      ILE  85   0.604   4.308   6.759
  189   1HD1  ILE  85          HD11      ILE  85  -2.428   5.201   5.780
  190   2HD1  ILE  85          HD13      ILE  85  -2.725   6.571   4.711
  191   3HD1  ILE  85          HD12      ILE  85  -3.346   4.976   4.290
  192    H    GLY  86           HN       GLY  86   0.774   1.538   5.114
  193   1HA   GLY  86           HA2      GLY  86   2.647   1.806   7.213
  194   2HA   GLY  86           HA1      GLY  86   2.187   0.267   6.484
  195    H    THR  87           HN       THR  87   3.126   0.561   3.896
  196    HA   THR  87           HA       THR  87   5.872  -0.083   4.143
  197    HB   THR  87           HB       THR  87   4.411   1.030   1.726
  198    HG1  THR  87           HG1      THR  87   3.445  -0.837   2.358
  199   1HG2  THR  87          HG21      THR  87   7.017   0.988   1.814
  200   2HG2  THR  87          HG23      THR  87   6.828  -0.760   1.675
  201   3HG2  THR  87          HG22      THR  87   6.207   0.296   0.408
  202    H    ILE  88           HN       ILE  88   4.342   3.008   3.174
  203    HA   ILE  88           HA       ILE  88   6.744   4.465   2.768
  204    HB   ILE  88           HB       ILE  88   4.061   5.409   3.827
  205   1HG1  ILE  88          HG12      ILE  88   5.274   5.610   1.053
  206   2HG1  ILE  88          HG11      ILE  88   4.133   4.353   1.535
  207   1HG2  ILE  88          HG22      ILE  88   6.426   6.974   2.746
  208   2HG2  ILE  88          HG21      ILE  88   4.838   7.655   3.097
  209   3HG2  ILE  88          HG23      ILE  88   5.828   7.007   4.405
  210   1HD1  ILE  88          HD12      ILE  88   3.566   7.322   1.750
  211   2HD1  ILE  88          HD11      ILE  88   3.049   6.316   0.396
  212   3HD1  ILE  88          HD13      ILE  88   2.425   6.003   2.016
  213    H    LEU  89           HN       LEU  89   4.804   4.035   5.739
  214    HA   LEU  89           HA       LEU  89   6.462   5.575   7.451
  215   1HB   LEU  89           HB2      LEU  89   4.883   4.969   8.943
  216   2HB   LEU  89           HB1      LEU  89   4.190   3.903   7.729
  217    HG   LEU  89           HG       LEU  89   5.826   2.123   8.489
  218   1HD1  LEU  89          HD12      LEU  89   6.934   4.306   9.885
  219   2HD1  LEU  89          HD11      LEU  89   6.215   3.271  11.119
  220   3HD1  LEU  89          HD13      LEU  89   7.416   2.614  10.008
  221   1HD2  LEU  89          HD21      LEU  89   3.392   2.435   9.282
  222   2HD2  LEU  89          HD23      LEU  89   4.439   1.437  10.291
  223   3HD2  LEU  89          HD22      LEU  89   4.088   3.100  10.760
  224    H    LEU  90           HN       LEU  90   6.591   2.115   6.618
  225    HA   LEU  90           HA       LEU  90   8.835   1.412   8.213
  226   1HB   LEU  90           HB2      LEU  90   7.405  -0.212   6.938
  227   2HB   LEU  90           HB1      LEU  90   8.174   0.341   5.449
  228    HG   LEU  90           HG       LEU  90  10.399  -0.270   6.455
  229   1HD1  LEU  90          HD12      LEU  90   8.569  -1.361   8.606
  230   2HD1  LEU  90          HD11      LEU  90  10.229  -1.920   8.393
  231   3HD1  LEU  90          HD13      LEU  90   9.911  -0.233   8.799
  232   1HD2  LEU  90          HD23      LEU  90   8.992  -1.778   4.939
  233   2HD2  LEU  90          HD22      LEU  90  10.191  -2.598   5.938
  234   3HD2  LEU  90          HD21      LEU  90   8.491  -2.621   6.404
  235    H    ILE  91           HN       ILE  91   8.711   2.641   4.860
  236    HA   ILE  91           HA       ILE  91  11.500   2.625   4.360
  237    HB   ILE  91           HB       ILE  91   9.393   4.583   3.390
  238   1HG1  ILE  91          HG12      ILE  91  10.580   2.199   1.950
  239   2HG1  ILE  91          HG11      ILE  91   9.111   2.078   2.921
  240   1HG2  ILE  91          HG23      ILE  91  12.268   4.486   3.029
  241   2HG2  ILE  91          HG22      ILE  91  11.443   4.260   1.487
  242   3HG2  ILE  91          HG21      ILE  91  11.117   5.695   2.459
  243   1HD1  ILE  91          HD12      ILE  91   8.170   3.988   1.538
  244   2HD1  ILE  91          HD11      ILE  91   9.561   3.798   0.472
  245   3HD1  ILE  91          HD13      ILE  91   8.408   2.478   0.659
  246    H    SER  92           HN       SER  92   9.475   5.215   5.794
  247    HA   SER  92           HA       SER  92  11.576   7.090   6.162
  248   1HB   SER  92           HB2      SER  92   8.910   6.607   7.366
  249   2HB   SER  92           HB1      SER  92  10.038   7.506   8.379
  250    HG   SER  92           HG       SER  92   8.618   8.578   6.614
  251    H    TYR  93           HN       TYR  93  10.393   4.499   8.323
  252    HA   TYR  93           HA       TYR  93  12.267   4.901  10.421
  253   1HB   TYR  93           HB2      TYR  93  10.307   2.961   9.737
  254   2HB   TYR  93           HB1      TYR  93  11.812   2.086  10.024
  255    HD1  TYR  93           HD2      TYR  93  13.149   3.776  12.027
  256    HD2  TYR  93           HD1      TYR  93   9.019   2.648  11.684
  257    HE1  TYR  93           HE2      TYR  93  12.863   4.084  14.471
  258    HE2  TYR  93           HE1      TYR  93   8.731   2.957  14.128
  259    HH   TYR  93           HH       TYR  93  10.826   4.626  16.028
  260    H    GLY  94           HN       GLY  94  12.485   2.836   7.508
  261   1HA   GLY  94           HA2      GLY  94  15.062   1.769   7.991
  262   2HA   GLY  94           HA1      GLY  94  14.363   2.000   6.386
  263    H    ILE  95           HN       ILE  95  14.118   4.747   6.244
  264    HA   ILE  95           HA       ILE  95  16.745   5.577   5.544
  265    HB   ILE  95           HB       ILE  95  14.181   7.075   6.079
  266   1HG1  ILE  95          HG12      ILE  95  15.493   7.578   3.564
  267   2HG1  ILE  95          HG11      ILE  95  15.420   5.838   3.841
  268   1HG2  ILE  95          HG21      ILE  95  16.886   8.288   5.429
  269   2HG2  ILE  95          HG23      ILE  95  15.349   9.148   5.321
  270   3HG2  ILE  95          HG22      ILE  95  15.930   8.576   6.883
  271   1HD1  ILE  95          HD12      ILE  95  12.918   6.591   4.633
  272   2HD1  ILE  95          HD11      ILE  95  13.230   7.765   3.356
  273   3HD1  ILE  95          HD13      ILE  95  13.309   6.039   3.005
  274    H    ARG  96           HN       ARG  96  14.838   6.286   8.485
  275    HA   ARG  96           HA       ARG  96  16.789   7.869   9.806
  276   1HB   ARG  96           HB2      ARG  96  14.669   5.991  10.884
  277   2HB   ARG  96           HB1      ARG  96  15.671   7.002  11.927
  278   1HG   ARG  96           HG2      ARG  96  14.631   8.941  11.281
  279   2HG   ARG  96           HG1      ARG  96  14.358   8.369   9.635
  280   1HD   ARG  96           HD2      ARG  96  12.683   6.707  10.742
  281   2HD   ARG  96           HD1      ARG  96  12.743   7.812  12.115
  282    HE   ARG  96           HE       ARG  96  11.076   8.287  10.004
  283   1HH1  ARG  96          HH11      ARG  96  12.793  10.164  12.088
  284   2HH1  ARG  96          HH12      ARG  96  12.899  11.562  11.072
  285   1HH2  ARG  96          HH21      ARG  96  11.716   9.930   8.251
  286   2HH2  ARG  96          HH22      ARG  96  12.290  11.430   8.901
  287    H    ARG  97           HN       ARG  97  16.259   4.347   9.875
  288    HA   ARG  97           HA       ARG  97  18.362   3.690  11.650
  289   1HB   ARG  97           HB2      ARG  97  16.498   2.222  10.317
  290   2HB   ARG  97           HB1      ARG  97  17.942   1.821   9.387
  291   1HG   ARG  97           HG2      ARG  97  19.103   1.301  11.561
  292   2HG   ARG  97           HG1      ARG  97  17.551   1.510  12.373
  293   1HD   ARG  97           HD2      ARG  97  17.162  -0.204  10.114
  294   2HD   ARG  97           HD1      ARG  97  18.533  -0.814  11.039
  295    HE   ARG  97           HE       ARG  97  15.961  -1.328  11.816
  296   1HH1  ARG  97          HH21      ARG  97  18.858  -0.481  13.276
  297   2HH1  ARG  97          HH22      ARG  97  18.178  -0.134  14.830
  298   1HH2  ARG  97          HH11      ARG  97  14.894  -0.391  13.745
  299   2HH2  ARG  97          HH12      ARG  97  15.933  -0.082  15.097
  300    H    LEU  98           HN       LEU  98  18.423   3.961   8.089
  301    HA   LEU  98           HA       LEU  98  21.143   3.261   7.720
  302   1HB   LEU  98           HB2      LEU  98  19.301   5.115   6.200
  303   2HB   LEU  98           HB1      LEU  98  20.962   4.823   5.680
  304    HG   LEU  98           HG       LEU  98  18.952   2.613   6.189
  305   1HD1  LEU  98          HD13      LEU  98  19.642   4.178   3.711
  306   2HD1  LEU  98          HD12      LEU  98  19.121   2.498   3.585
  307   3HD1  LEU  98          HD11      LEU  98  18.054   3.700   4.311
  308   1HD2  LEU  98          HD22      LEU  98  21.743   2.604   5.943
  309   2HD2  LEU  98          HD21      LEU  98  20.677   1.208   5.794
  310   3HD2  LEU  98          HD23      LEU  98  21.158   2.107   4.355
  311    H    ILE  99           HN       ILE  99  19.681   6.455   8.316
  312    HA   ILE  99           HA       ILE  99  22.247   7.806   8.409
  313    HB   ILE  99           HB       ILE  99  20.919   9.724   9.263
  314   1HG1  ILE  99          HG12      ILE  99  18.665   7.688   9.227
  315   2HG1  ILE  99          HG11      ILE  99  19.325   8.487  10.654
  316   1HG2  ILE  99          HG22      ILE  99  19.955   8.158   6.872
  317   2HG2  ILE  99          HG21      ILE  99  19.241   9.718   7.281
  318   3HG2  ILE  99          HG23      ILE  99  20.961   9.605   6.907
  319   1HD1  ILE  99          HD12      ILE  99  18.694  10.698   9.549
  320   2HD1  ILE  99          HD11      ILE  99  17.786   9.746   8.374
  321   3HD1  ILE  99          HD13      ILE  99  17.343   9.698  10.081
  322    H    LYS 100           HN       LYS 100  19.911   6.740  10.905
  323    HA   LYS 100           HA       LYS 100  22.154   6.937  12.874
  324   1HB   LYS 100           HB2      LYS 100  19.551   8.243  12.896
  325   2HB   LYS 100           HB1      LYS 100  19.789   7.248  14.333
  326   1HG   LYS 100           HG2      LYS 100  20.854   9.138  15.080
  327   2HG   LYS 100           HG1      LYS 100  22.213   8.417  14.216
  328   1HD   LYS 100           HD2      LYS 100  20.690   9.827  12.287
  329   2HD   LYS 100           HD1      LYS 100  20.863  10.900  13.677
  330   1HE   LYS 100           HE2      LYS 100  23.200   9.395  12.486
  331   2HE   LYS 100           HE1      LYS 100  22.742  11.013  11.955
  332   1HZ   LYS 100           HZ2      LYS 100  22.790  11.010  14.744
  333   2HZ   LYS 100           HZ1      LYS 100  24.230  10.276  14.216
  334   3HZ   LYS 100           HZ3      LYS 100  23.828  11.835  13.681
  335    H    LYS 101           HN       LYS 101  21.728   5.522  14.835
  336    HA   LYS 101           HA       LYS 101  21.084   3.470  15.805
  337   1HB   LYS 101           HB2      LYS 101  19.216   3.037  13.470
  338   2HB   LYS 101           HB1      LYS 101  19.088   2.396  15.106
  339   1HG   LYS 101           HG2      LYS 101  18.671   5.255  14.207
  340   2HG   LYS 101           HG1      LYS 101  17.497   4.180  14.966
  341   1HD   LYS 101           HD2      LYS 101  19.460   4.134  16.839
  342   2HD   LYS 101           HD1      LYS 101  19.680   5.762  16.199
  343   1HE   LYS 101           HE2      LYS 101  16.867   5.010  16.664
  344   2HE   LYS 101           HE1      LYS 101  17.849   5.101  18.126
  345   1HZ   LYS 101           HZ2      LYS 101  17.916   7.240  16.089
  346   2HZ   LYS 101           HZ1      LYS 101  16.739   7.226  17.314
  347   3HZ   LYS 101           HZ3      LYS 101  18.382   7.314  17.721
  348   1H    VAL  62           HT2      VAL  62 -24.685 -29.506  20.465
  349   2H    VAL  62           HT1      VAL  62 -25.627 -29.631  19.056
  350   3H    VAL  62           HT3      VAL  62 -24.389 -30.752  19.349
  351    HA   VAL  62           HA       VAL  62 -22.761 -29.389  18.647
  352    HB   VAL  62           HB       VAL  62 -25.103 -27.911  17.421
  353   1HG1  VAL  62          HG12      VAL  62 -22.222 -28.402  16.658
  354   2HG1  VAL  62          HG11      VAL  62 -23.428 -27.934  15.459
  355   3HG1  VAL  62          HG13      VAL  62 -23.065 -26.862  16.811
  356   1HG2  VAL  62          HG23      VAL  62 -24.021 -30.673  16.966
  357   2HG2  VAL  62          HG22      VAL  62 -25.692 -30.108  16.927
  358   3HG2  VAL  62          HG21      VAL  62 -24.609 -29.753  15.581
  359    H    GLN  63           HN       GLN  63 -21.726 -27.272  18.724
  360    HA   GLN  63           HA       GLN  63 -23.084 -25.321  20.535
  361   1HB   GLN  63           HB2      GLN  63 -20.841 -24.917  21.581
  362   2HB   GLN  63           HB1      GLN  63 -21.492 -26.523  21.903
  363   1HG   GLN  63           HG2      GLN  63 -19.541 -27.340  21.110
  364   2HG   GLN  63           HG1      GLN  63 -20.095 -26.837  19.512
  365   1HE2  GLN  63          HE22      GLN  63 -17.770 -24.196  19.260
  366   2HE2  GLN  63          HE21      GLN  63 -19.015 -25.079  18.516
  367    H    LEU  64           HN       LEU  64 -22.914 -25.225  17.690
  368    HA   LEU  64           HA       LEU  64 -22.458 -23.614  16.041
  369   1HB   LEU  64           HB2      LEU  64 -22.663 -22.144  18.273
  370   2HB   LEU  64           HB1      LEU  64 -20.947 -21.892  17.951
  371    HG   LEU  64           HG       LEU  64 -22.667 -21.661  15.569
  372   1HD1  LEU  64          HD11      LEU  64 -23.835 -20.599  17.755
  373   2HD1  LEU  64          HD13      LEU  64 -22.752 -19.271  17.341
  374   3HD1  LEU  64          HD12      LEU  64 -23.936 -19.842  16.166
  375   1HD2  LEU  64          HD22      LEU  64 -20.403 -20.136  16.865
  376   2HD2  LEU  64          HD21      LEU  64 -20.389 -21.035  15.347
  377   3HD2  LEU  64          HD23      LEU  64 -21.252 -19.502  15.456
  378    H    ALA  65           HN       ALA  65 -20.595 -22.808  14.781
  379    HA   ALA  65           HA       ALA  65 -17.887 -23.389  15.657
  380   1HB   ALA  65           HB2      ALA  65 -19.352 -25.549  14.566
  381   2HB   ALA  65           HB1      ALA  65 -18.246 -25.017  13.301
  382   3HB   ALA  65           HB3      ALA  65 -17.618 -25.486  14.880
  383    H    HIS  66           HN       HIS  66 -18.288 -21.032  14.897
  384    HA   HIS  66           HA       HIS  66 -17.898 -19.357  13.300
  385   1HB   HIS  66           HB2      HIS  66 -16.561 -21.393  11.545
  386   2HB   HIS  66           HB1      HIS  66 -16.082 -19.730  11.887
  387    HD1  HIS  66           HD1      HIS  66 -15.907 -23.210  13.275
  388    HD2  HIS  66           HD2      HIS  66 -14.599 -19.387  14.297
  389    HE1  HIS  66           HE1      HIS  66 -14.260 -23.501  15.177
  390    H    HIS  67           HN       HIS  67 -20.389 -19.977  13.021
  391    HA   HIS  67           HA       HIS  67 -21.141 -21.291  10.558
  392   1HB   HIS  67           HB2      HIS  67 -22.471 -20.343  12.826
  393   2HB   HIS  67           HB1      HIS  67 -23.070 -19.330  11.513
  394    HD1  HIS  67           HD1      HIS  67 -25.330 -20.408  11.120
  395    HD2  HIS  67           HD2      HIS  67 -22.219 -23.183  11.098
  396    HE1  HIS  67           HE1      HIS  67 -26.331 -22.601  10.343
  397    H    PHE  68           HN       PHE  68 -19.886 -18.187  11.270
  398    HA   PHE  68           HA       PHE  68 -21.149 -16.726   9.116
  399   1HB   PHE  68           HB2      PHE  68 -18.494 -16.168  10.471
  400   2HB   PHE  68           HB1      PHE  68 -19.469 -15.018   9.556
  401    HD1  PHE  68           HD2      PHE  68 -22.201 -15.752  10.490
  402    HD2  PHE  68           HD1      PHE  68 -18.530 -15.282  12.672
  403    HE1  PHE  68           HE2      PHE  68 -23.489 -15.209  12.538
  404    HE2  PHE  68           HE1      PHE  68 -19.818 -14.739  14.719
  405    HZ   PHE  68           HZ       PHE  68 -22.298 -14.702  14.654
  406    H    SER  69           HN       SER  69 -19.788 -15.828   7.263
  407    HA   SER  69           HA       SER  69 -17.604 -17.599   6.363
  408   1HB   SER  69           HB2      SER  69 -19.557 -17.217   4.222
  409   2HB   SER  69           HB1      SER  69 -18.742 -18.690   4.742
  410    HG   SER  69           HG       SER  69 -21.029 -18.729   5.079
  411    H    GLU  70           HN       GLU  70 -17.884 -16.613   3.598
  412    HA   GLU  70           HA       GLU  70 -17.380 -14.703   2.311
  413   1HB   GLU  70           HB2      GLU  70 -18.911 -13.696   4.488
  414   2HB   GLU  70           HB1      GLU  70 -17.527 -12.622   4.281
  415   1HG   GLU  70           HG2      GLU  70 -18.717 -11.669   2.608
  416   2HG   GLU  70           HG1      GLU  70 -18.324 -13.114   1.674
  417    HA   PRO  71           HA       PRO  71 -13.157 -14.985   3.979
  418   1HB   PRO  71           HB2      PRO  71 -12.234 -14.427   1.315
  419   2HB   PRO  71           HB1      PRO  71 -12.183 -15.969   2.179
  420   1HG   PRO  71           HG2      PRO  71 -13.900 -15.239  -0.021
  421   2HG   PRO  71           HG1      PRO  71 -13.837 -16.782   0.841
  422   1HD   PRO  71           HD2      PRO  71 -15.887 -14.759   0.988
  423   2HD   PRO  71           HD1      PRO  71 -15.818 -16.308   1.852
  424    H    GLU  72           HN       GLU  72 -14.366 -12.699   4.656
  425    HA   GLU  72           HA       GLU  72 -13.641 -10.350   3.179
  426   1HB   GLU  72           HB2      GLU  72 -14.617 -10.949   5.933
  427   2HB   GLU  72           HB1      GLU  72 -13.848  -9.381   5.678
  428   1HG   GLU  72           HG2      GLU  72 -15.381  -8.989   3.747
  429   2HG   GLU  72           HG1      GLU  72 -16.199 -10.504   4.127
  430    H    ILE  73           HN       ILE  73 -12.345 -11.141   6.410
  431    HA   ILE  73           HA       ILE  73 -10.058  -9.604   6.320
  432    HB   ILE  73           HB       ILE  73 -10.951 -11.194   8.184
  433   1HG1  ILE  73          HG12      ILE  73  -8.149 -11.502   8.511
  434   2HG1  ILE  73          HG11      ILE  73  -8.411  -9.999   7.627
  435   1HG2  ILE  73          HG21      ILE  73  -8.986 -13.003   6.744
  436   2HG2  ILE  73          HG23      ILE  73  -9.655 -13.309   8.347
  437   3HG2  ILE  73          HG22      ILE  73 -10.715 -13.293   6.938
  438   1HD1  ILE  73          HD12      ILE  73 -10.397  -9.931   9.549
  439   2HD1  ILE  73          HD11      ILE  73  -9.039 -10.650  10.415
  440   3HD1  ILE  73          HD13      ILE  73  -8.857  -9.074   9.645
  441    H    THR  74           HN       THR  74 -10.519 -12.801   4.853
  442    HA   THR  74           HA       THR  74  -7.836 -13.265   4.039
  443    HB   THR  74           HB       THR  74 -10.399 -14.050   2.617
  444    HG1  THR  74           HG1      THR  74  -9.898 -16.046   3.800
  445   1HG2  THR  74          HG22      THR  74  -7.867 -14.233   1.631
  446   2HG2  THR  74          HG21      THR  74  -7.988 -15.758   2.508
  447   3HG2  THR  74          HG23      THR  74  -9.155 -15.374   1.243
  448    H    LEU  75           HN       LEU  75 -10.499 -11.620   2.310
  449    HA   LEU  75           HA       LEU  75  -8.779 -10.936   0.061
  450   1HB   LEU  75           HB2      LEU  75 -11.481 -11.043   0.355
  451   2HB   LEU  75           HB1      LEU  75 -11.214  -9.310   0.539
  452    HG   LEU  75           HG       LEU  75 -10.417 -11.062  -1.796
  453   1HD1  LEU  75          HD13      LEU  75 -12.740  -9.701  -1.313
  454   2HD1  LEU  75          HD12      LEU  75 -11.799  -8.478  -2.167
  455   3HD1  LEU  75          HD11      LEU  75 -12.110 -10.040  -2.924
  456   1HD2  LEU  75          HD21      LEU  75  -8.597  -9.451  -1.118
  457   2HD2  LEU  75          HD23      LEU  75  -9.258  -9.150  -2.724
  458   3HD2  LEU  75          HD22      LEU  75  -9.747  -8.136  -1.366
  459    H    ILE  76           HN       ILE  76 -10.107  -9.078   2.833
  460    HA   ILE  76           HA       ILE  76  -8.924  -6.599   2.133
  461    HB   ILE  76           HB       ILE  76  -9.226  -7.634   4.965
  462   1HG1  ILE  76          HG12      ILE  76 -11.280  -6.476   3.059
  463   2HG1  ILE  76          HG11      ILE  76 -11.318  -8.065   3.825
  464   1HG2  ILE  76          HG23      ILE  76  -8.042  -5.419   4.443
  465   2HG2  ILE  76          HG22      ILE  76  -9.610  -4.838   3.882
  466   3HG2  ILE  76          HG21      ILE  76  -9.404  -5.336   5.561
  467   1HD1  ILE  76          HD12      ILE  76 -11.288  -5.485   5.399
  468   2HD1  ILE  76          HD11      ILE  76 -12.779  -6.298   4.923
  469   3HD1  ILE  76          HD13      ILE  76 -11.637  -7.107   5.997
  470    H    ILE  77           HN       ILE  77  -7.581  -9.235   4.176
  471    HA   ILE  77           HA       ILE  77  -5.083  -7.966   4.682
  472    HB   ILE  77           HB       ILE  77  -4.214 -10.164   5.206
  473   1HG1  ILE  77          HG12      ILE  77  -6.635 -11.188   3.705
  474   2HG1  ILE  77          HG11      ILE  77  -4.952 -11.369   3.217
  475   1HG2  ILE  77          HG21      ILE  77  -6.840  -9.266   6.099
  476   2HG2  ILE  77          HG23      ILE  77  -6.653 -11.012   6.260
  477   3HG2  ILE  77          HG22      ILE  77  -5.504  -9.926   7.042
  478   1HD1  ILE  77          HD12      ILE  77  -6.095 -12.462   5.803
  479   2HD1  ILE  77          HD11      ILE  77  -5.897 -13.414   4.330
  480   3HD1  ILE  77          HD13      ILE  77  -4.482 -12.754   5.151
  481    H    PHE  78           HN       PHE  78  -6.084 -10.158   2.055
  482    HA   PHE  78           HA       PHE  78  -3.612 -10.207   0.660
  483   1HB   PHE  78           HB2      PHE  78  -6.408 -10.837   0.034
  484   2HB   PHE  78           HB1      PHE  78  -5.521 -10.215  -1.357
  485    HD1  PHE  78           HD1      PHE  78  -4.516 -12.332   1.574
  486    HD2  PHE  78           HD2      PHE  78  -4.798 -11.977  -2.697
  487    HE1  PHE  78           HE1      PHE  78  -3.369 -14.516   1.317
  488    HE2  PHE  78           HE2      PHE  78  -3.653 -14.162  -2.955
  489    HZ   PHE  78           HZ       PHE  78  -2.938 -15.431  -0.948
  490    H    GLY  79           HN       GLY  79  -6.367  -7.947   0.323
  491   1HA   GLY  79           HA2      GLY  79  -5.250  -6.339  -1.729
  492   2HA   GLY  79           HA1      GLY  79  -6.401  -5.751  -0.524
  493    H    VAL  80           HN       VAL  80  -4.964  -6.020   1.828
  494    HA   VAL  80           HA       VAL  80  -3.317  -3.709   1.842
  495    HB   VAL  80           HB       VAL  80  -3.344  -6.078   3.733
  496   1HG1  VAL  80          HG13      VAL  80  -1.316  -4.357   3.643
  497   2HG1  VAL  80          HG12      VAL  80  -2.451  -3.334   4.525
  498   3HG1  VAL  80          HG11      VAL  80  -1.979  -4.900   5.185
  499   1HG2  VAL  80          HG21      VAL  80  -5.361  -4.312   3.209
  500   2HG2  VAL  80          HG23      VAL  80  -5.114  -5.077   4.779
  501   3HG2  VAL  80          HG22      VAL  80  -4.494  -3.452   4.483
  502    H    MET  81           HN       MET  81  -2.410  -7.162   1.747
  503    HA   MET  81           HA       MET  81   0.405  -6.787   1.631
  504   1HB   MET  81           HB2      MET  81  -1.279  -8.939   0.306
  505   2HB   MET  81           HB1      MET  81   0.462  -9.027   0.581
  506   1HG   MET  81           HG2      MET  81   0.081  -8.834   3.018
  507   2HG   MET  81           HG1      MET  81  -1.659  -8.770   2.735
  508   1HE   MET  81           HE1      MET  81   0.808 -10.445   4.053
  509   2HE   MET  81           HE3      MET  81   0.568 -12.190   3.892
  510   3HE   MET  81           HE2      MET  81   1.557 -11.321   2.720
  511    H    ALA  82           HN       ALA  82  -2.004  -7.022  -0.980
  512    HA   ALA  82           HA       ALA  82  -0.227  -6.733  -3.159
  513   1HB   ALA  82           HB1      ALA  82  -3.113  -6.565  -2.745
  514   2HB   ALA  82           HB3      ALA  82  -2.552  -5.428  -3.976
  515   3HB   ALA  82           HB2      ALA  82  -2.209  -7.149  -4.140
  516    H    GLY  83           HN       GLY  83  -1.940  -4.164  -1.301
  517   1HA   GLY  83           HA2      GLY  83  -1.011  -1.983  -2.844
  518   2HA   GLY  83           HA1      GLY  83  -1.414  -1.886  -1.129
  519    H    VAL  84           HN       VAL  84   0.487  -3.540   0.017
  520    HA   VAL  84           HA       VAL  84   2.779  -1.871   0.146
  521    HB   VAL  84           HB       VAL  84   2.416  -4.801   0.823
  522   1HG1  VAL  84          HG12      VAL  84   4.831  -3.138   0.717
  523   2HG1  VAL  84          HG11      VAL  84   4.554  -3.854   2.305
  524   3HG1  VAL  84          HG13      VAL  84   4.680  -4.887   0.882
  525   1HG2  VAL  84          HG22      VAL  84   1.735  -2.297   2.086
  526   2HG2  VAL  84          HG21      VAL  84   1.397  -3.938   2.638
  527   3HG2  VAL  84          HG23      VAL  84   2.916  -3.155   3.076
  528    H    ILE  85           HN       ILE  85   2.301  -4.925  -1.663
  529    HA   ILE  85           HA       ILE  85   4.874  -5.054  -2.840
  530    HB   ILE  85           HB       ILE  85   2.167  -5.970  -3.837
  531   1HG1  ILE  85          HG12      ILE  85   4.396  -7.804  -3.097
  532   2HG1  ILE  85          HG11      ILE  85   3.627  -6.920  -1.778
  533   1HG2  ILE  85          HG23      ILE  85   4.793  -5.896  -5.186
  534   2HG2  ILE  85          HG22      ILE  85   4.007  -7.475  -5.197
  535   3HG2  ILE  85          HG21      ILE  85   3.179  -6.072  -5.875
  536   1HD1  ILE  85          HD13      ILE  85   1.932  -8.315  -3.832
  537   2HD1  ILE  85          HD12      ILE  85   2.638  -9.234  -2.502
  538   3HD1  ILE  85          HD11      ILE  85   1.536  -7.898  -2.165
  539    H    GLY  86           HN       GLY  86   1.909  -3.472  -4.064
  540   1HA   GLY  86           HA2      GLY  86   2.978  -2.515  -6.500
  541   2HA   GLY  86           HA1      GLY  86   1.663  -1.736  -5.619
  542    H    THR  87           HN       THR  87   2.923  -0.949  -3.286
  543    HA   THR  87           HA       THR  87   4.195   1.466  -4.036
  544    HB   THR  87           HB       THR  87   4.468  -0.056  -1.426
  545    HG1  THR  87           HG1      THR  87   2.320   0.643  -2.327
  546   1HG2  THR  87          HG22      THR  87   5.547   2.474  -2.400
  547   2HG2  THR  87          HG21      THR  87   4.565   2.685  -0.950
  548   3HG2  THR  87          HG23      THR  87   5.940   1.581  -0.930
  549    H    ILE  88           HN       ILE  88   5.662  -1.605  -2.917
  550    HA   ILE  88           HA       ILE  88   8.363  -0.754  -3.015
  551    HB   ILE  88           HB       ILE  88   7.215  -3.490  -3.655
  552   1HG1  ILE  88          HG12      ILE  88   8.339  -2.369  -1.068
  553   2HG1  ILE  88          HG11      ILE  88   6.619  -2.556  -1.410
  554   1HG2  ILE  88          HG23      ILE  88   9.919  -2.433  -3.696
  555   2HG2  ILE  88          HG22      ILE  88   9.759  -3.703  -2.483
  556   3HG2  ILE  88          HG21      ILE  88   9.343  -4.033  -4.164
  557   1HD1  ILE  88          HD12      ILE  88   8.131  -5.001  -1.950
  558   2HD1  ILE  88          HD11      ILE  88   8.264  -4.485  -0.268
  559   3HD1  ILE  88          HD13      ILE  88   6.676  -4.774  -0.979
  560    H    LEU  89           HN       LEU  89   6.354  -2.241  -5.569
  561    HA   LEU  89           HA       LEU  89   8.339  -2.250  -7.591
  562   1HB   LEU  89           HB2      LEU  89   6.671  -2.983  -8.955
  563   2HB   LEU  89           HB1      LEU  89   5.742  -3.081  -7.466
  564    HG   LEU  89           HG       LEU  89   5.034  -0.652  -7.944
  565   1HD1  LEU  89          HD11      LEU  89   6.846  -1.093 -10.114
  566   2HD1  LEU  89          HD13      LEU  89   5.228  -0.890 -10.784
  567   3HD1  LEU  89          HD12      LEU  89   5.918   0.363  -9.752
  568   1HD2  LEU  89          HD22      LEU  89   3.744  -2.873  -8.367
  569   2HD2  LEU  89          HD21      LEU  89   3.162  -1.405  -9.151
  570   3HD2  LEU  89          HD23      LEU  89   4.110  -2.577 -10.067
  571    H    LEU  90           HN       LEU  90   5.981   0.284  -6.731
  572    HA   LEU  90           HA       LEU  90   6.696   2.161  -8.740
  573   1HB   LEU  90           HB2      LEU  90   4.757   2.319  -7.086
  574   2HB   LEU  90           HB1      LEU  90   5.932   2.892  -5.901
  575    HG   LEU  90           HG       LEU  90   4.722   4.726  -7.155
  576   1HD1  LEU  90          HD13      LEU  90   7.314   4.587  -6.288
  577   2HD1  LEU  90          HD12      LEU  90   7.540   5.060  -7.972
  578   3HD1  LEU  90          HD11      LEU  90   6.552   6.055  -6.901
  579   1HD2  LEU  90          HD21      LEU  90   5.127   3.189  -9.353
  580   2HD2  LEU  90          HD23      LEU  90   4.864   4.931  -9.434
  581   3HD2  LEU  90          HD22      LEU  90   6.504   4.284  -9.490
  582    H    ILE  91           HN       ILE  91   8.032   1.738  -5.450
  583    HA   ILE  91           HA       ILE  91   9.908   3.861  -5.544
  584    HB   ILE  91           HB       ILE  91  10.150   1.158  -4.183
  585   1HG1  ILE  91          HG12      ILE  91   9.261   3.839  -3.073
  586   2HG1  ILE  91          HG11      ILE  91   8.147   2.572  -3.592
  587   1HG2  ILE  91          HG22      ILE  91  11.935   3.473  -4.356
  588   2HG2  ILE  91          HG21      ILE  91  11.515   3.064  -2.692
  589   3HG2  ILE  91          HG23      ILE  91  12.258   1.852  -3.737
  590   1HD1  ILE  91          HD12      ILE  91   9.453   1.024  -1.994
  591   2HD1  ILE  91          HD11      ILE  91  10.122   2.505  -1.310
  592   3HD1  ILE  91          HD13      ILE  91   8.383   2.218  -1.262
  593    H    SER  92           HN       SER  92  10.328   0.440  -6.549
  594    HA   SER  92           HA       SER  92  13.038   0.695  -7.358
  595   1HB   SER  92           HB2      SER  92  10.893  -0.991  -8.688
  596   2HB   SER  92           HB1      SER  92  12.633  -1.248  -8.786
  597    HG   SER  92           HG       SER  92  11.280  -2.453  -7.141
  598    H    TYR  93           HN       TYR  93  10.031   1.206  -9.237
  599    HA   TYR  93           HA       TYR  93  11.283   1.959 -11.672
  600   1HB   TYR  93           HB2      TYR  93   8.813   1.555 -11.327
  601   2HB   TYR  93           HB1      TYR  93   8.721   3.145 -10.568
  602    HD1  TYR  93           HD1      TYR  93  10.260   1.619 -13.639
  603    HD2  TYR  93           HD2      TYR  93   8.052   4.892 -11.949
  604    HE1  TYR  93           HE1      TYR  93  10.119   2.679 -15.876
  605    HE2  TYR  93           HE2      TYR  93   7.909   5.952 -14.187
  606    HH   TYR  93           HH       TYR  93   8.331   4.450 -16.961
  607    H    GLY  94           HN       GLY  94  10.265   4.002  -8.914
  608   1HA   GLY  94           HA2      GLY  94  11.078   6.491  -9.980
  609   2HA   GLY  94           HA1      GLY  94  11.002   6.124  -8.258
  610    H    ILE  95           HN       ILE  95  12.958   4.186  -7.979
  611    HA   ILE  95           HA       ILE  95  15.325   5.758  -7.883
  612    HB   ILE  95           HB       ILE  95  16.374   3.952  -6.940
  613   1HG1  ILE  95          HG12      ILE  95  14.886   2.012  -8.735
  614   2HG1  ILE  95          HG11      ILE  95  16.460   2.698  -9.135
  615   1HG2  ILE  95          HG22      ILE  95  13.740   4.121  -6.302
  616   2HG2  ILE  95          HG21      ILE  95  13.844   2.431  -6.799
  617   3HG2  ILE  95          HG23      ILE  95  14.876   3.035  -5.504
  618   1HD1  ILE  95          HD12      ILE  95  16.855   1.820  -6.559
  619   2HD1  ILE  95          HD11      ILE  95  15.775   0.587  -7.208
  620   3HD1  ILE  95          HD13      ILE  95  17.309   0.925  -8.009
  621    H    ARG  96           HN       ARG  96  14.353   3.301 -10.282
  622    HA   ARG  96           HA       ARG  96  16.666   3.444 -11.913
  623   1HB   ARG  96           HB2      ARG  96  13.790   3.027 -12.784
  624   2HB   ARG  96           HB1      ARG  96  15.222   2.610 -13.727
  625   1HG   ARG  96           HG2      ARG  96  15.907   1.226 -11.621
  626   2HG   ARG  96           HG1      ARG  96  14.200   1.343 -11.196
  627   1HD   ARG  96           HD2      ARG  96  15.455   0.019 -13.591
  628   2HD   ARG  96           HD1      ARG  96  14.294  -0.647 -12.442
  629    HE   ARG  96           HE       ARG  96  12.918   1.439 -13.643
  630   1HH1  ARG  96          HH21      ARG  96  13.639  -1.788 -14.161
  631   2HH1  ARG  96          HH22      ARG  96  13.151  -1.819 -15.823
  632   1HH2  ARG  96          HH11      ARG  96  12.727   1.616 -16.037
  633   2HH2  ARG  96          HH12      ARG  96  12.635   0.109 -16.885
  634    H    ARG  97           HN       ARG  97  13.658   5.369 -12.085
  635    HA   ARG  97           HA       ARG  97  14.385   6.944 -14.324
  636   1HB   ARG  97           HB2      ARG  97  12.137   6.857 -13.007
  637   2HB   ARG  97           HB1      ARG  97  12.863   8.113 -12.003
  638   1HG   ARG  97           HG2      ARG  97  13.337   9.413 -14.106
  639   2HG   ARG  97           HG1      ARG  97  12.405   8.211 -14.995
  640   1HD   ARG  97           HD2      ARG  97  10.429   9.048 -14.282
  641   2HD   ARG  97           HD1      ARG  97  11.000   9.208 -12.623
  642    HE   ARG  97           HE       ARG  97  10.628  11.406 -14.216
  643   1HH1  ARG  97          HH21      ARG  97  13.077  11.665 -15.481
  644   2HH1  ARG  97          HH22      ARG  97  14.175  12.304 -14.304
  645   1HH2  ARG  97          HH11      ARG  97  12.192  11.439 -11.595
  646   2HH2  ARG  97          HH12      ARG  97  13.675  12.175 -12.104
  647    H    LEU  98           HN       LEU  98  14.970   7.558 -10.851
  648    HA   LEU  98           HA       LEU  98  16.270  10.057 -11.137
  649   1HB   LEU  98           HB2      LEU  98  15.920   8.091  -9.070
  650   2HB   LEU  98           HB1      LEU  98  17.603   8.617  -9.082
  651    HG   LEU  98           HG       LEU  98  15.418  10.666  -9.285
  652   1HD1  LEU  98          HD13      LEU  98  15.599   8.838  -7.147
  653   2HD1  LEU  98          HD12      LEU  98  16.360  10.320  -6.569
  654   3HD1  LEU  98          HD11      LEU  98  14.703  10.357  -7.171
  655   1HD2  LEU  98          HD21      LEU  98  17.843  11.229  -9.607
  656   2HD2  LEU  98          HD23      LEU  98  17.110  12.077  -8.244
  657   3HD2  LEU  98          HD22      LEU  98  18.148  10.680  -7.959
  658    H    ILE  99           HN       ILE  99  17.662   6.769 -11.171
  659    HA   ILE  99           HA       ILE  99  20.354   7.699 -11.701
  660    HB   ILE  99           HB       ILE  99  20.776   5.309 -12.294
  661   1HG1  ILE  99          HG12      ILE  99  17.808   5.001 -11.745
  662   2HG1  ILE  99          HG11      ILE  99  18.541   4.933 -13.348
  663   1HG2  ILE  99          HG22      ILE  99  19.370   6.121  -9.774
  664   2HG2  ILE  99          HG21      ILE  99  19.766   4.419 -10.015
  665   3HG2  ILE  99          HG23      ILE  99  21.048   5.630 -10.008
  666   1HD1  ILE  99          HD12      ILE  99  20.106   3.144 -12.040
  667   2HD1  ILE  99          HD11      ILE  99  18.593   2.930 -11.160
  668   3HD1  ILE  99          HD13      ILE  99  18.638   2.691 -12.906
  669    H    LYS 100           HN       LYS 100  17.534   7.365 -13.605
  670    HA   LYS 100           HA       LYS 100  19.170   7.489 -16.107
  671   1HB   LYS 100           HB2      LYS 100  16.998   5.809 -15.411
  672   2HB   LYS 100           HB1      LYS 100  16.375   6.962 -16.593
  673   1HG   LYS 100           HG2      LYS 100  17.269   5.106 -17.835
  674   2HG   LYS 100           HG1      LYS 100  18.407   6.441 -18.019
  675   1HD   LYS 100           HD2      LYS 100  19.979   5.477 -16.586
  676   2HD   LYS 100           HD1      LYS 100  18.771   4.483 -15.770
  677   1HE   LYS 100           HE2      LYS 100  19.427   2.790 -17.109
  678   2HE   LYS 100           HE1      LYS 100  18.638   3.654 -18.429
  679   1HZ   LYS 100           HZ2      LYS 100  21.411   4.259 -17.596
  680   2HZ   LYS 100           HZ1      LYS 100  21.062   3.054 -18.741
  681   3HZ   LYS 100           HZ3      LYS 100  20.636   4.666 -19.052
  682    H    LYS 101           HN       LYS 101  17.116   8.451 -17.783
  683    HA   LYS 101           HA       LYS 101  16.286  11.022 -16.540
  684   1HB   LYS 101           HB2      LYS 101  17.209  12.344 -18.317
  685   2HB   LYS 101           HB1      LYS 101  18.504  11.292 -17.751
  686   1HG   LYS 101           HG2      LYS 101  16.734  10.450 -20.046
  687   2HG   LYS 101           HG1      LYS 101  18.124  11.499 -20.314
  688   1HD   LYS 101           HD2      LYS 101  19.614   9.820 -19.972
  689   2HD   LYS 101           HD1      LYS 101  18.696   9.153 -18.623
  690   1HE   LYS 101           HE2      LYS 101  17.998   7.511 -19.996
  691   2HE   LYS 101           HE1      LYS 101  17.098   8.727 -20.902
  692   1HZ   LYS 101           HZ3      LYS 101  19.977   8.354 -21.392
  693   2HZ   LYS 101           HZ2      LYS 101  18.853   7.298 -22.107
  694   3HZ   LYS 101           HZ1      LYS 101  18.785   8.964 -22.431
   
  No H/Q in entry =         694
  Start of MODEL    3
    1   1H    VAL  62           HT2      VAL  62 -21.629  16.908  15.359
    2   2H    VAL  62           HT1      VAL  62 -22.668  17.769  16.392
    3   3H    VAL  62           HT3      VAL  62 -21.160  17.238  16.958
    4    HA   VAL  62           HA       VAL  62 -21.807  14.990  16.944
    5    HB   VAL  62           HB       VAL  62 -24.277  16.458  17.880
    6   1HG1  VAL  62          HG13      VAL  62 -22.724  14.020  18.781
    7   2HG1  VAL  62          HG12      VAL  62 -23.974  14.776  19.769
    8   3HG1  VAL  62          HG11      VAL  62 -24.388  14.086  18.200
    9   1HG2  VAL  62          HG23      VAL  62 -21.449  16.630  18.845
   10   2HG2  VAL  62          HG22      VAL  62 -22.709  17.864  18.846
   11   3HG2  VAL  62          HG21      VAL  62 -22.732  16.580  20.054
   12    H    GLN  63           HN       GLN  63 -23.490  13.369  16.410
   13    HA   GLN  63           HA       GLN  63 -25.744  13.939  14.757
   14   1HB   GLN  63           HB2      GLN  63 -24.845  13.151  12.571
   15   2HB   GLN  63           HB1      GLN  63 -24.088  14.653  13.099
   16   1HG   GLN  63           HG2      GLN  63 -22.138  13.552  12.698
   17   2HG   GLN  63           HG1      GLN  63 -22.448  12.795  14.261
   18   1HE2  GLN  63          HE22      GLN  63 -22.257   9.702  12.541
   19   2HE2  GLN  63          HE21      GLN  63 -21.548  10.717  13.702
   20    H    LEU  64           HN       LEU  64 -26.811  11.956  14.084
   21    HA   LEU  64           HA       LEU  64 -26.510   9.771  15.839
   22   1HB   LEU  64           HB2      LEU  64 -27.840   8.475  14.153
   23   2HB   LEU  64           HB1      LEU  64 -28.551  10.041  14.548
   24    HG   LEU  64           HG       LEU  64 -26.659  10.299  12.366
   25   1HD1  LEU  64          HD13      LEU  64 -27.466   7.867  12.106
   26   2HD1  LEU  64          HD12      LEU  64 -29.050   8.556  11.753
   27   3HD1  LEU  64          HD11      LEU  64 -27.675   8.927  10.713
   28   1HD2  LEU  64          HD21      LEU  64 -28.578  11.822  13.093
   29   2HD2  LEU  64          HD23      LEU  64 -28.480  11.493  11.362
   30   3HD2  LEU  64          HD22      LEU  64 -29.667  10.647  12.354
   31    H    ALA  65           HN       ALA  65 -25.999   7.447  14.964
   32    HA   ALA  65           HA       ALA  65 -23.978   7.244  12.897
   33   1HB   ALA  65           HB3      ALA  65 -23.077   8.034  15.455
   34   2HB   ALA  65           HB2      ALA  65 -22.644   6.334  15.290
   35   3HB   ALA  65           HB1      ALA  65 -22.089   7.505  14.093
   36    H    HIS  66           HN       HIS  66 -24.933   5.389  12.085
   37    HA   HIS  66           HA       HIS  66 -26.067   3.334  13.767
   38   1HB   HIS  66           HB2      HIS  66 -25.172   3.039  10.889
   39   2HB   HIS  66           HB1      HIS  66 -26.416   2.111  11.727
   40    HD1  HIS  66           HD1      HIS  66 -25.930   5.118   9.705
   41    HD2  HIS  66           HD2      HIS  66 -28.742   3.805  12.489
   42    HE1  HIS  66           HE1      HIS  66 -27.961   6.605   9.428
   43    H    HIS  67           HN       HIS  67 -24.855   1.092  12.215
   44    HA   HIS  67           HA       HIS  67 -22.760   0.414  14.056
   45   1HB   HIS  67           HB2      HIS  67 -23.370  -0.806  11.346
   46   2HB   HIS  67           HB1      HIS  67 -22.428  -1.556  12.635
   47    HD1  HIS  67           HD1      HIS  67 -25.353  -2.416  11.369
   48    HD2  HIS  67           HD2      HIS  67 -24.558  -0.787  15.122
   49    HE1  HIS  67           HE1      HIS  67 -27.299  -3.061  12.856
   50    H    PHE  68           HN       PHE  68 -20.601  -0.514  12.806
   51    HA   PHE  68           HA       PHE  68 -19.516   1.852  11.327
   52   1HB   PHE  68           HB2      PHE  68 -18.508   0.303  13.608
   53   2HB   PHE  68           HB1      PHE  68 -17.323   0.486  12.315
   54    HD1  PHE  68           HD1      PHE  68 -19.889   2.534  14.141
   55    HD2  PHE  68           HD2      PHE  68 -16.008   2.408  12.304
   56    HE1  PHE  68           HE1      PHE  68 -19.478   4.875  14.848
   57    HE2  PHE  68           HE2      PHE  68 -15.598   4.749  13.011
   58    HZ   PHE  68           HZ       PHE  68 -17.332   5.983  14.283
   59    H    SER  69           HN       SER  69 -20.342  -1.403  11.063
   60    HA   SER  69           HA       SER  69 -18.351  -2.645   9.575
   61   1HB   SER  69           HB2      SER  69 -20.320  -3.675   8.255
   62   2HB   SER  69           HB1      SER  69 -20.299  -3.915  10.000
   63    HG   SER  69           HG       SER  69 -22.197  -3.017   9.926
   64    H    GLU  70           HN       GLU  70 -18.012  -2.823   7.229
   65    HA   GLU  70           HA       GLU  70 -18.992  -0.483   5.664
   66   1HB   GLU  70           HB2      GLU  70 -16.116  -1.343   6.041
   67   2HB   GLU  70           HB1      GLU  70 -16.631  -0.325   4.697
   68   1HG   GLU  70           HG2      GLU  70 -17.561   0.511   7.389
   69   2HG   GLU  70           HG1      GLU  70 -15.833   0.681   7.079
   70    HA   PRO  71           HA       PRO  71 -19.727  -3.338   2.444
   71   1HB   PRO  71           HB2      PRO  71 -18.660  -1.651   0.366
   72   2HB   PRO  71           HB1      PRO  71 -20.356  -1.909   0.799
   73   1HG   PRO  71           HG2      PRO  71 -18.766   0.444   1.274
   74   2HG   PRO  71           HG1      PRO  71 -20.453   0.168   1.729
   75   1HD   PRO  71           HD2      PRO  71 -18.145   0.250   3.461
   76   2HD   PRO  71           HD1      PRO  71 -19.841  -0.014   3.913
   77    H    GLU  72           HN       GLU  72 -18.542  -4.462   0.568
   78    HA   GLU  72           HA       GLU  72 -15.994  -5.407   1.450
   79   1HB   GLU  72           HB2      GLU  72 -17.236  -5.580  -1.312
   80   2HB   GLU  72           HB1      GLU  72 -15.894  -6.563  -0.725
   81   1HG   GLU  72           HG2      GLU  72 -17.335  -8.006   0.220
   82   2HG   GLU  72           HG1      GLU  72 -18.037  -6.702   1.179
   83    H    ILE  73           HN       ILE  73 -16.506  -3.861  -1.727
   84    HA   ILE  73           HA       ILE  73 -13.932  -3.130  -2.304
   85    HB   ILE  73           HB       ILE  73 -16.114  -2.661  -3.616
   86   1HG1  ILE  73          HG12      ILE  73 -14.694  -0.295  -4.216
   87   2HG1  ILE  73          HG11      ILE  73 -13.503  -1.456  -3.630
   88   1HG2  ILE  73          HG23      ILE  73 -16.905  -1.120  -1.666
   89   2HG2  ILE  73          HG22      ILE  73 -15.840   0.081  -2.398
   90   3HG2  ILE  73          HG21      ILE  73 -17.185  -0.588  -3.324
   91   1HD1  ILE  73          HD11      ILE  73 -15.082  -3.021  -5.251
   92   2HD1  ILE  73          HD13      ILE  73 -15.073  -1.485  -6.116
   93   3HD1  ILE  73          HD12      ILE  73 -13.552  -2.293  -5.738
   94    H    THR  74           HN       THR  74 -16.076  -1.486  -0.014
   95    HA   THR  74           HA       THR  74 -14.389   0.786   0.449
   96    HB   THR  74           HB       THR  74 -15.647   0.516   2.827
   97    HG1  THR  74           HG1      THR  74 -16.795  -1.244   2.653
   98   1HG2  THR  74          HG22      THR  74 -15.865   2.215   0.836
   99   2HG2  THR  74          HG21      THR  74 -17.306   1.276   0.443
  100   3HG2  THR  74          HG23      THR  74 -17.174   2.078   2.009
  101    H    LEU  75           HN       LEU  75 -14.661  -2.351   2.148
  102    HA   LEU  75           HA       LEU  75 -12.450  -1.690   3.933
  103   1HB   LEU  75           HB2      LEU  75 -14.464  -3.490   4.125
  104   2HB   LEU  75           HB1      LEU  75 -13.180  -4.539   3.523
  105    HG   LEU  75           HG       LEU  75 -13.203  -2.875   6.045
  106   1HD1  LEU  75          HD11      LEU  75 -13.626  -5.623   5.402
  107   2HD1  LEU  75          HD13      LEU  75 -12.108  -5.507   6.293
  108   3HD1  LEU  75          HD12      LEU  75 -13.596  -4.873   6.998
  109   1HD2  LEU  75          HD21      LEU  75 -10.883  -3.933   4.446
  110   2HD2  LEU  75          HD23      LEU  75 -11.044  -2.386   5.279
  111   3HD2  LEU  75          HD22      LEU  75 -10.775  -3.862   6.204
  112    H    ILE  76           HN       ILE  76 -12.808  -3.878   1.102
  113    HA   ILE  76           HA       ILE  76 -10.143  -4.847   1.139
  114    HB   ILE  76           HB       ILE  76 -11.770  -4.226  -1.348
  115   1HG1  ILE  76          HG12      ILE  76 -11.732  -6.839   0.156
  116   2HG1  ILE  76          HG11      ILE  76 -12.939  -5.602   0.493
  117   1HG2  ILE  76          HG22      ILE  76  -9.275  -5.691  -0.757
  118   2HG2  ILE  76          HG21      ILE  76 -10.418  -6.555  -1.785
  119   3HG2  ILE  76          HG23      ILE  76  -9.825  -4.965  -2.267
  120   1HD1  ILE  76          HD12      ILE  76 -12.413  -6.810  -2.237
  121   2HD1  ILE  76          HD11      ILE  76 -13.743  -7.265  -1.173
  122   3HD1  ILE  76          HD13      ILE  76 -13.667  -5.635  -1.843
  123    H    ILE  77           HN       ILE  77 -11.491  -1.987  -0.554
  124    HA   ILE  77           HA       ILE  77  -9.016  -1.082  -1.627
  125    HB   ILE  77           HB       ILE  77 -11.394  -0.204  -2.116
  126   1HG1  ILE  77          HG12      ILE  77  -9.558   2.105  -1.672
  127   2HG1  ILE  77          HG11      ILE  77  -8.959   0.781  -2.670
  128   1HG2  ILE  77          HG21      ILE  77 -10.678   1.507   0.283
  129   2HG2  ILE  77          HG23      ILE  77 -12.051   1.769  -0.792
  130   3HG2  ILE  77          HG22      ILE  77 -11.983   0.324   0.214
  131   1HD1  ILE  77          HD13      ILE  77 -11.620   1.254  -3.505
  132   2HD1  ILE  77          HD12      ILE  77 -10.858   2.838  -3.361
  133   3HD1  ILE  77          HD11      ILE  77 -10.140   1.605  -4.398
  134    H    PHE  78           HN       PHE  78 -10.628  -0.308   1.454
  135    HA   PHE  78           HA       PHE  78  -8.694   1.502   2.456
  136   1HB   PHE  78           HB2      PHE  78 -10.809  -0.201   3.640
  137   2HB   PHE  78           HB1      PHE  78  -9.507   0.251   4.736
  138    HD1  PHE  78           HD1      PHE  78 -11.646   1.821   2.075
  139    HD2  PHE  78           HD2      PHE  78  -9.698   2.264   5.878
  140    HE1  PHE  78           HE1      PHE  78 -12.617   4.091   2.308
  141    HE2  PHE  78           HE2      PHE  78 -10.667   4.535   6.110
  142    HZ   PHE  78           HZ       PHE  78 -12.126   5.448   4.325
  143    H    GLY  79           HN       GLY  79  -8.835  -2.061   2.879
  144   1HA   GLY  79           HA2      GLY  79  -6.524  -2.284   4.501
  145   2HA   GLY  79           HA1      GLY  79  -7.099  -3.554   3.417
  146    H    VAL  80           HN       VAL  80  -6.802  -2.392   0.936
  147    HA   VAL  80           HA       VAL  80  -4.037  -2.732   0.389
  148    HB   VAL  80           HB       VAL  80  -6.069  -1.158  -1.223
  149   1HG1  VAL  80          HG13      VAL  80  -3.477  -1.086  -1.701
  150   2HG1  VAL  80          HG12      VAL  80  -3.749  -2.708  -2.337
  151   3HG1  VAL  80          HG11      VAL  80  -4.607  -1.332  -3.033
  152   1HG2  VAL  80          HG21      VAL  80  -6.178  -3.830  -0.456
  153   2HG2  VAL  80          HG23      VAL  80  -6.997  -3.130  -1.853
  154   3HG2  VAL  80          HG22      VAL  80  -5.421  -3.897  -2.047
  155    H    MET  81           HN       MET  81  -5.946   0.260   0.760
  156    HA   MET  81           HA       MET  81  -3.838   2.114   0.346
  157   1HB   MET  81           HB2      MET  81  -6.157   2.400   2.281
  158   2HB   MET  81           HB1      MET  81  -5.227   3.710   1.552
  159   1HG   MET  81           HG2      MET  81  -6.092   2.103  -0.596
  160   2HG   MET  81           HG1      MET  81  -7.488   2.273   0.468
  161   1HE   MET  81           HE2      MET  81  -8.552   4.125   1.188
  162   2HE   MET  81           HE1      MET  81  -8.673   5.661   0.335
  163   3HE   MET  81           HE3      MET  81  -9.164   4.161  -0.464
  164    H    ALA  82           HN       ALA  82  -4.978   0.572   3.347
  165    HA   ALA  82           HA       ALA  82  -3.153   1.815   5.115
  166   1HB   ALA  82           HB1      ALA  82  -4.930  -0.505   5.195
  167   2HB   ALA  82           HB3      ALA  82  -3.447  -0.776   6.117
  168   3HB   ALA  82           HB2      ALA  82  -4.477   0.606   6.486
  169    H    GLY  83           HN       GLY  83  -2.765  -1.203   3.203
  170   1HA   GLY  83           HA2      GLY  83  -0.198  -1.893   4.169
  171   2HA   GLY  83           HA1      GLY  83  -0.795  -2.291   2.556
  172    H    VAL  84           HN       VAL  84  -1.094   0.220   1.407
  173    HA   VAL  84           HA       VAL  84   1.553   0.863   0.603
  174    HB   VAL  84           HB       VAL  84  -0.745   2.834   0.603
  175   1HG1  VAL  84          HG13      VAL  84   1.889   2.929  -0.360
  176   2HG1  VAL  84          HG12      VAL  84   0.896   2.615  -1.783
  177   3HG1  VAL  84          HG11      VAL  84   0.577   4.029  -0.779
  178   1HG2  VAL  84          HG23      VAL  84  -0.288   0.346  -1.026
  179   2HG2  VAL  84          HG22      VAL  84  -1.790   0.953  -0.329
  180   3HG2  VAL  84          HG21      VAL  84  -1.098   1.733  -1.752
  181    H    ILE  85           HN       ILE  85  -0.559   2.503   2.986
  182    HA   ILE  85           HA       ILE  85   1.260   4.538   3.748
  183    HB   ILE  85           HB       ILE  85  -0.867   3.082   5.340
  184   1HG1  ILE  85          HG12      ILE  85  -1.124   5.938   4.627
  185   2HG1  ILE  85          HG11      ILE  85  -1.109   4.838   3.248
  186   1HG2  ILE  85          HG23      ILE  85   1.241   4.732   6.305
  187   2HG2  ILE  85          HG22      ILE  85  -0.237   5.690   6.364
  188   3HG2  ILE  85          HG21      ILE  85  -0.158   4.138   7.198
  189   1HD1  ILE  85          HD13      ILE  85  -2.785   4.006   5.552
  190   2HD1  ILE  85          HD12      ILE  85  -3.353   5.413   4.651
  191   3HD1  ILE  85          HD11      ILE  85  -3.103   3.876   3.822
  192    H    GLY  86           HN       GLY  86   0.836   1.250   5.090
  193   1HA   GLY  86           HA2      GLY  86   2.796   1.407   7.119
  194   2HA   GLY  86           HA1      GLY  86   2.329  -0.086   6.304
  195    H    THR  87           HN       THR  87   3.158   0.402   3.702
  196    HA   THR  87           HA       THR  87   5.923  -0.202   3.802
  197    HB   THR  87           HB       THR  87   4.425   1.083   1.497
  198    HG1  THR  87           HG1      THR  87   3.457  -0.841   2.319
  199   1HG2  THR  87          HG22      THR  87   7.105   0.649   1.714
  200   2HG2  THR  87          HG21      THR  87   6.577  -0.898   1.056
  201   3HG2  THR  87          HG23      THR  87   6.226   0.596   0.187
  202    H    ILE  88           HN       ILE  88   4.299   2.912   3.114
  203    HA   ILE  88           HA       ILE  88   6.649   4.458   2.723
  204    HB   ILE  88           HB       ILE  88   4.066   5.343   4.052
  205   1HG1  ILE  88          HG12      ILE  88   4.891   5.272   1.130
  206   2HG1  ILE  88          HG11      ILE  88   3.640   4.279   1.878
  207   1HG2  ILE  88          HG21      ILE  88   6.494   6.728   3.011
  208   2HG2  ILE  88          HG23      ILE  88   4.935   7.482   2.676
  209   3HG2  ILE  88          HG22      ILE  88   5.427   7.178   4.342
  210   1HD1  ILE  88          HD13      ILE  88   3.237   7.110   2.436
  211   2HD1  ILE  88          HD12      ILE  88   3.270   6.786   0.701
  212   3HD1  ILE  88          HD11      ILE  88   2.118   5.940   1.736
  213    H    LEU  89           HN       LEU  89   4.841   3.741   5.714
  214    HA   LEU  89           HA       LEU  89   6.492   5.193   7.502
  215   1HB   LEU  89           HB2      LEU  89   4.914   4.419   8.916
  216   2HB   LEU  89           HB1      LEU  89   4.337   3.311   7.678
  217    HG   LEU  89           HG       LEU  89   6.140   1.696   8.399
  218   1HD1  LEU  89          HD12      LEU  89   6.790   3.999  10.086
  219   2HD1  LEU  89          HD11      LEU  89   6.632   2.505  11.008
  220   3HD1  LEU  89          HD13      LEU  89   7.779   2.599   9.672
  221   1HD2  LEU  89          HD23      LEU  89   3.969   2.613  10.284
  222   2HD2  LEU  89          HD22      LEU  89   3.968   1.215   9.209
  223   3HD2  LEU  89          HD21      LEU  89   4.974   1.213  10.658
  224    H    LEU  90           HN       LEU  90   6.747   1.818   6.376
  225    HA   LEU  90           HA       LEU  90   9.047   1.084   7.870
  226   1HB   LEU  90           HB2      LEU  90   8.014   0.226   5.160
  227   2HB   LEU  90           HB1      LEU  90   9.492  -0.453   5.839
  228    HG   LEU  90           HG       LEU  90   7.121  -0.372   7.636
  229   1HD1  LEU  90          HD11      LEU  90   7.270  -1.950   5.094
  230   2HD1  LEU  90          HD13      LEU  90   6.584  -2.721   6.524
  231   3HD1  LEU  90          HD12      LEU  90   5.865  -1.241   5.891
  232   1HD2  LEU  90          HD23      LEU  90   9.400  -2.273   7.042
  233   2HD2  LEU  90          HD22      LEU  90   9.130  -1.333   8.509
  234   3HD2  LEU  90          HD21      LEU  90   8.079  -2.696   8.128
  235    H    ILE  91           HN       ILE  91   8.821   2.602   4.640
  236    HA   ILE  91           HA       ILE  91  11.601   2.752   4.110
  237    HB   ILE  91           HB       ILE  91   9.445   4.754   3.365
  238   1HG1  ILE  91          HG12      ILE  91  10.535   2.448   1.732
  239   2HG1  ILE  91          HG11      ILE  91   9.076   2.316   2.714
  240   1HG2  ILE  91          HG22      ILE  91  12.319   4.507   2.759
  241   2HG2  ILE  91          HG21      ILE  91  11.296   4.691   1.334
  242   3HG2  ILE  91          HG23      ILE  91  11.254   5.905   2.613
  243   1HD1  ILE  91          HD11      ILE  91   9.336   4.599   0.784
  244   2HD1  ILE  91          HD13      ILE  91   8.889   3.005   0.176
  245   3HD1  ILE  91          HD12      ILE  91   7.879   3.804   1.381
  246    H    SER  92           HN       SER  92   9.490   5.117   5.798
  247    HA   SER  92           HA       SER  92  11.522   7.035   6.304
  248   1HB   SER  92           HB2      SER  92   8.881   6.377   7.440
  249   2HB   SER  92           HB1      SER  92   9.982   7.148   8.580
  250    HG   SER  92           HG       SER  92   8.569   8.383   6.865
  251    H    TYR  93           HN       TYR  93  10.488   4.225   8.263
  252    HA   TYR  93           HA       TYR  93  12.386   4.555  10.353
  253   1HB   TYR  93           HB2      TYR  93  10.634   2.924  10.615
  254   2HB   TYR  93           HB1      TYR  93  11.143   2.061   9.163
  255    HD1  TYR  93           HD2      TYR  93  12.140   2.955  12.633
  256    HD2  TYR  93           HD1      TYR  93  12.917   0.465   9.220
  257    HE1  TYR  93           HE2      TYR  93  13.693   1.581  13.990
  258    HE2  TYR  93           HE1      TYR  93  14.473  -0.910  10.578
  259    HH   TYR  93           HH       TYR  93  15.478  -1.145  12.541
  260    H    GLY  94           HN       GLY  94  12.636   2.730   7.291
  261   1HA   GLY  94           HA2      GLY  94  15.262   1.746   7.638
  262   2HA   GLY  94           HA1      GLY  94  14.513   2.058   6.073
  263    H    ILE  95           HN       ILE  95  14.194   4.812   6.114
  264    HA   ILE  95           HA       ILE  95  16.795   5.708   5.405
  265    HB   ILE  95           HB       ILE  95  15.842   7.722   4.866
  266   1HG1  ILE  95          HG12      ILE  95  14.165   7.538   7.390
  267   2HG1  ILE  95          HG11      ILE  95  15.598   8.535   7.160
  268   1HG2  ILE  95          HG22      ILE  95  14.182   5.646   4.433
  269   2HG2  ILE  95          HG21      ILE  95  13.134   6.653   5.431
  270   3HG2  ILE  95          HG23      ILE  95  13.805   7.294   3.932
  271   1HD1  ILE  95          HD13      ILE  95  13.547   8.930   5.092
  272   2HD1  ILE  95          HD12      ILE  95  13.011   9.371   6.714
  273   3HD1  ILE  95          HD11      ILE  95  14.449  10.125   6.024
  274    H    ARG  96           HN       ARG  96  14.987   6.246   8.444
  275    HA   ARG  96           HA       ARG  96  16.961   7.807   9.750
  276   1HB   ARG  96           HB2      ARG  96  14.873   5.883  10.773
  277   2HB   ARG  96           HB1      ARG  96  15.976   6.703  11.877
  278   1HG   ARG  96           HG2      ARG  96  14.881   8.667  11.672
  279   2HG   ARG  96           HG1      ARG  96  14.808   8.529   9.915
  280   1HD   ARG  96           HD2      ARG  96  12.541   8.509  10.843
  281   2HD   ARG  96           HD1      ARG  96  12.914   6.935  10.142
  282    HE   ARG  96           HE       ARG  96  13.640   6.667  12.805
  283   1HH1  ARG  96          HH21      ARG  96  10.956   6.293  10.877
  284   2HH1  ARG  96          HH22      ARG  96   9.792   6.340  12.158
  285   1HH2  ARG  96          HH11      ARG  96  12.089   7.312  14.568
  286   2HH2  ARG  96          HH12      ARG  96  10.433   6.917  14.248
  287    H    ARG  97           HN       ARG  97  16.555   4.253   9.701
  288    HA   ARG  97           HA       ARG  97  18.773   3.662  11.359
  289   1HB   ARG  97           HB2      ARG  97  17.162   1.935  10.699
  290   2HB   ARG  97           HB1      ARG  97  17.677   2.076   9.016
  291   1HG   ARG  97           HG2      ARG  97  19.761   1.095   9.432
  292   2HG   ARG  97           HG1      ARG  97  19.699   1.465  11.156
  293   1HD   ARG  97           HD2      ARG  97  17.458  -0.140  10.731
  294   2HD   ARG  97           HD1      ARG  97  18.710  -0.881   9.735
  295    HE   ARG  97           HE       ARG  97  18.610  -1.354  12.418
  296   1HH1  ARG  97          HH11      ARG  97  21.046  -1.481  10.365
  297   2HH1  ARG  97          HH12      ARG  97  22.290  -0.857  11.397
  298   1HH2  ARG  97          HH21      ARG  97  20.077   0.309  13.799
  299   2HH2  ARG  97          HH22      ARG  97  21.740   0.156  13.342
  300    H    LEU  98           HN       LEU  98  18.634   4.016   7.815
  301    HA   LEU  98           HA       LEU  98  21.351   3.456   7.267
  302   1HB   LEU  98           HB2      LEU  98  19.176   4.963   5.908
  303   2HB   LEU  98           HB1      LEU  98  20.822   5.293   5.369
  304    HG   LEU  98           HG       LEU  98  19.869   2.457   5.708
  305   1HD1  LEU  98          HD13      LEU  98  18.873   4.401   3.809
  306   2HD1  LEU  98          HD12      LEU  98  19.751   3.122   2.971
  307   3HD1  LEU  98          HD11      LEU  98  18.395   2.718   4.024
  308   1HD2  LEU  98          HD22      LEU  98  22.299   3.660   5.036
  309   2HD2  LEU  98          HD21      LEU  98  21.874   1.967   4.782
  310   3HD2  LEU  98          HD23      LEU  98  21.636   3.140   3.486
  311    H    ILE  99           HN       ILE  99  19.819   6.600   8.004
  312    HA   ILE  99           HA       ILE  99  22.414   7.956   7.998
  313    HB   ILE  99           HB       ILE  99  21.026   9.897   8.864
  314   1HG1  ILE  99          HG12      ILE  99  18.479   8.808   8.134
  315   2HG1  ILE  99          HG11      ILE  99  19.208   7.750   9.340
  316   1HG2  ILE  99          HG23      ILE  99  20.702   8.456   6.292
  317   2HG2  ILE  99          HG22      ILE  99  19.481   9.683   6.637
  318   3HG2  ILE  99          HG21      ILE  99  21.188  10.125   6.595
  319   1HD1  ILE  99          HD13      ILE  99  18.923  10.756   9.609
  320   2HD1  ILE  99          HD12      ILE  99  17.889   9.564  10.397
  321   3HD1  ILE  99          HD11      ILE  99  19.598   9.667  10.822
  322    H    LYS 100           HN       LYS 100  21.204   5.803  10.093
  323    HA   LYS 100           HA       LYS 100  22.460   7.191  12.424
  324   1HB   LYS 100           HB2      LYS 100  19.823   6.806  12.369
  325   2HB   LYS 100           HB1      LYS 100  20.290   5.186  12.888
  326   1HG   LYS 100           HG2      LYS 100  20.188   6.179  14.959
  327   2HG   LYS 100           HG1      LYS 100  21.848   6.612  14.548
  328   1HD   LYS 100           HD2      LYS 100  20.138   8.563  13.367
  329   2HD   LYS 100           HD1      LYS 100  19.637   8.359  15.046
  330   1HE   LYS 100           HE2      LYS 100  22.531   8.387  14.828
  331   2HE   LYS 100           HE1      LYS 100  21.832   9.846  14.126
  332   1HZ   LYS 100           HZ1      LYS 100  20.987   8.820  16.767
  333   2HZ   LYS 100           HZ3      LYS 100  22.306   9.871  16.599
  334   3HZ   LYS 100           HZ2      LYS 100  20.756  10.372  16.115
  335    H    LYS 101           HN       LYS 101  24.403   6.000  11.727
  336    HA   LYS 101           HA       LYS 101  25.907   4.235  12.147
  337   1HB   LYS 101           HB2      LYS 101  23.906   3.892  14.077
  338   2HB   LYS 101           HB1      LYS 101  24.042   2.317  13.294
  339   1HG   LYS 101           HG2      LYS 101  26.673   2.965  13.557
  340   2HG   LYS 101           HG1      LYS 101  26.000   3.760  14.981
  341   1HD   LYS 101           HD2      LYS 101  26.481   1.584  15.750
  342   2HD   LYS 101           HD1      LYS 101  24.757   1.516  15.383
  343   1HE   LYS 101           HE2      LYS 101  25.250   0.535  13.181
  344   2HE   LYS 101           HE1      LYS 101  26.978   0.628  13.518
  345   1HZ   LYS 101           HZ3      LYS 101  26.589  -0.809  15.465
  346   2HZ   LYS 101           HZ2      LYS 101  24.964  -0.976  14.998
  347   3HZ   LYS 101           HZ1      LYS 101  26.203  -1.570  13.999
  348   1H    VAL  62           HT3      VAL  62   0.127 -23.479  10.557
  349   2H    VAL  62           HT2      VAL  62   1.074 -22.278  11.298
  350   3H    VAL  62           HT1      VAL  62   0.785 -23.750  12.097
  351    HA   VAL  62           HA       VAL  62  -0.870 -22.710  13.135
  352    HB   VAL  62           HB       VAL  62  -1.760 -20.520  12.276
  353   1HG1  VAL  62          HG11      VAL  62   0.456 -20.957  13.660
  354   2HG1  VAL  62          HG13      VAL  62   1.234 -20.363  12.192
  355   3HG1  VAL  62          HG12      VAL  62   0.085 -19.342  13.057
  356   1HG2  VAL  62          HG23      VAL  62  -0.687 -21.460   9.858
  357   2HG2  VAL  62          HG22      VAL  62  -1.356 -19.855  10.155
  358   3HG2  VAL  62          HG21      VAL  62   0.375 -20.137  10.338
  359    H    GLN  63           HN       GLN  63  -3.290 -22.300  12.801
  360    HA   GLN  63           HA       GLN  63  -4.266 -23.730  10.362
  361   1HB   GLN  63           HB2      GLN  63  -4.305 -25.199  12.385
  362   2HB   GLN  63           HB1      GLN  63  -5.361 -24.028  13.173
  363   1HG   GLN  63           HG2      GLN  63  -6.494 -26.033  12.012
  364   2HG   GLN  63           HG1      GLN  63  -7.133 -24.430  11.651
  365   1HE2  GLN  63          HE22      GLN  63  -6.311 -24.603   8.227
  366   2HE2  GLN  63          HE21      GLN  63  -7.046 -23.722   9.478
  367    H    LEU  64           HN       LEU  64  -4.088 -20.831  11.154
  368    HA   LEU  64           HA       LEU  64  -6.810 -19.969  11.709
  369   1HB   LEU  64           HB2      LEU  64  -4.318 -18.772  11.818
  370   2HB   LEU  64           HB1      LEU  64  -5.060 -18.004  10.414
  371    HG   LEU  64           HG       LEU  64  -7.147 -17.740  11.944
  372   1HD1  LEU  64          HD11      LEU  64  -6.223 -19.231  13.731
  373   2HD1  LEU  64          HD13      LEU  64  -4.967 -18.030  14.033
  374   3HD1  LEU  64          HD12      LEU  64  -6.659 -17.629  14.329
  375   1HD2  LEU  64          HD21      LEU  64  -5.038 -16.088  11.290
  376   2HD2  LEU  64          HD23      LEU  64  -6.498 -15.569  12.132
  377   3HD2  LEU  64          HD22      LEU  64  -5.054 -15.990  13.051
  378    H    ALA  65           HN       ALA  65  -5.558 -21.399   9.027
  379    HA   ALA  65           HA       ALA  65  -6.678 -19.658   6.973
  380   1HB   ALA  65           HB1      ALA  65  -4.955 -21.905   7.039
  381   2HB   ALA  65           HB3      ALA  65  -6.362 -22.389   6.091
  382   3HB   ALA  65           HB2      ALA  65  -5.432 -20.964   5.625
  383    H    HIS  66           HN       HIS  66  -8.656 -19.987   5.848
  384    HA   HIS  66           HA       HIS  66 -10.472 -22.048   7.031
  385   1HB   HIS  66           HB2      HIS  66 -10.789 -19.133   6.824
  386   2HB   HIS  66           HB1      HIS  66 -12.159 -20.038   6.178
  387    HD1  HIS  66           HD1      HIS  66 -13.272 -18.878   8.450
  388    HD2  HIS  66           HD2      HIS  66 -10.625 -22.048   9.015
  389    HE1  HIS  66           HE1      HIS  66 -13.692 -19.752  10.788
  390    H    HIS  67           HN       HIS  67 -12.571 -22.027   5.418
  391    HA   HIS  67           HA       HIS  67 -11.896 -21.672   2.608
  392   1HB   HIS  67           HB2      HIS  67 -12.024 -24.075   2.013
  393   2HB   HIS  67           HB1      HIS  67 -10.647 -23.742   3.064
  394    HD1  HIS  67           HD1      HIS  67 -13.734 -25.731   2.850
  395    HD2  HIS  67           HD2      HIS  67 -11.143 -24.489   5.870
  396    HE1  HIS  67           HE1      HIS  67 -14.251 -27.166   4.871
  397    H    PHE  68           HN       PHE  68 -13.738 -23.310   1.421
  398    HA   PHE  68           HA       PHE  68 -16.049 -23.719   1.162
  399   1HB   PHE  68           HB2      PHE  68 -15.713 -23.968   3.870
  400   2HB   PHE  68           HB1      PHE  68 -16.841 -22.616   3.784
  401    HD1  PHE  68           HD2      PHE  68 -16.470 -25.526   1.471
  402    HD2  PHE  68           HD1      PHE  68 -18.929 -23.542   4.381
  403    HE1  PHE  68           HE2      PHE  68 -18.320 -27.101   0.980
  404    HE2  PHE  68           HE1      PHE  68 -20.780 -25.119   3.890
  405    HZ   PHE  68           HZ       PHE  68 -20.476 -26.898   2.190
  406    H    SER  69           HN       SER  69 -15.530 -20.811   3.194
  407    HA   SER  69           HA       SER  69 -17.078 -19.278   1.141
  408   1HB   SER  69           HB2      SER  69 -17.151 -19.225   4.133
  409   2HB   SER  69           HB1      SER  69 -17.428 -17.719   3.264
  410    HG   SER  69           HG       SER  69 -19.153 -19.625   3.705
  411    H    GLU  70           HN       GLU  70 -15.945 -17.638   0.206
  412    HA   GLU  70           HA       GLU  70 -13.235 -17.179   0.450
  413   1HB   GLU  70           HB2      GLU  70 -15.494 -15.318  -0.257
  414   2HB   GLU  70           HB1      GLU  70 -13.827 -14.742  -0.240
  415   1HG   GLU  70           HG2      GLU  70 -13.169 -16.425  -1.861
  416   2HG   GLU  70           HG1      GLU  70 -14.770 -17.165  -1.797
  417    HA   PRO  71           HA       PRO  71 -13.148 -15.805   4.737
  418   1HB   PRO  71           HB2      PRO  71 -10.307 -15.423   4.433
  419   2HB   PRO  71           HB1      PRO  71 -11.147 -16.704   5.317
  420   1HG   PRO  71           HG2      PRO  71  -9.743 -16.933   2.812
  421   2HG   PRO  71           HG1      PRO  71 -10.602 -18.205   3.692
  422   1HD   PRO  71           HD2      PRO  71 -11.405 -16.900   1.250
  423   2HD   PRO  71           HD1      PRO  71 -12.267 -18.170   2.141
  424    H    GLU  72           HN       GLU  72 -13.992 -13.723   4.764
  425    HA   GLU  72           HA       GLU  72 -13.269 -11.556   3.131
  426   1HB   GLU  72           HB2      GLU  72 -14.543 -11.835   5.807
  427   2HB   GLU  72           HB1      GLU  72 -13.923 -10.238   5.389
  428   1HG   GLU  72           HG2      GLU  72 -15.159 -10.749   3.086
  429   2HG   GLU  72           HG1      GLU  72 -16.126 -11.807   4.115
  430    H    ILE  73           HN       ILE  73 -11.953 -12.412   6.345
  431    HA   ILE  73           HA       ILE  73 -10.113 -10.297   6.584
  432    HB   ILE  73           HB       ILE  73 -10.729 -12.096   8.305
  433   1HG1  ILE  73          HG12      ILE  73  -8.112 -12.133   8.982
  434   2HG1  ILE  73          HG11      ILE  73  -8.093 -10.858   7.762
  435   1HG2  ILE  73          HG23      ILE  73 -10.179 -14.020   6.804
  436   2HG2  ILE  73          HG22      ILE  73  -8.479 -13.557   6.889
  437   3HG2  ILE  73          HG21      ILE  73  -9.323 -14.088   8.344
  438   1HD1  ILE  73          HD12      ILE  73 -10.393 -10.417   9.358
  439   2HD1  ILE  73          HD11      ILE  73  -9.058 -10.729  10.470
  440   3HD1  ILE  73          HD13      ILE  73  -8.933  -9.430   9.283
  441    H    THR  74           HN       THR  74  -9.612 -13.520   5.085
  442    HA   THR  74           HA       THR  74  -6.899 -13.165   4.395
  443    HB   THR  74           HB       THR  74  -7.332 -14.789   2.554
  444    HG1  THR  74           HG1      THR  74  -9.936 -14.027   3.173
  445   1HG2  THR  74          HG22      THR  74  -8.613 -15.350   5.238
  446   2HG2  THR  74          HG21      THR  74  -8.261 -16.594   4.039
  447   3HG2  THR  74          HG23      THR  74  -6.944 -15.673   4.766
  448    H    LEU  75           HN       LEU  75  -9.815 -12.263   2.521
  449    HA   LEU  75           HA       LEU  75  -8.293 -11.129   0.356
  450   1HB   LEU  75           HB2      LEU  75 -10.396 -11.335  -0.478
  451   2HB   LEU  75           HB1      LEU  75 -11.137 -11.256   1.114
  452    HG   LEU  75           HG       LEU  75 -10.032  -8.771  -0.203
  453   1HD1  LEU  75          HD11      LEU  75 -11.945 -10.232  -1.456
  454   2HD1  LEU  75          HD13      LEU  75 -12.950  -9.308  -0.339
  455   3HD1  LEU  75          HD12      LEU  75 -11.906  -8.467  -1.486
  456   1HD2  LEU  75          HD22      LEU  75 -11.413  -9.458   2.248
  457   2HD2  LEU  75          HD21      LEU  75 -10.729  -7.906   1.764
  458   3HD2  LEU  75          HD23      LEU  75 -12.380  -8.323   1.305
  459    H    ILE  76           HN       ILE  76  -9.801  -9.598   3.241
  460    HA   ILE  76           HA       ILE  76  -9.007  -6.946   2.597
  461    HB   ILE  76           HB       ILE  76  -9.108  -8.180   5.371
  462   1HG1  ILE  76          HG12      ILE  76 -11.340  -6.732   3.934
  463   2HG1  ILE  76          HG11      ILE  76 -11.168  -8.484   3.854
  464   1HG2  ILE  76          HG22      ILE  76  -8.063  -5.887   5.084
  465   2HG2  ILE  76          HG21      ILE  76  -9.626  -5.331   4.485
  466   3HG2  ILE  76          HG23      ILE  76  -9.476  -5.929   6.138
  467   1HD1  ILE  76          HD11      ILE  76 -11.130  -7.109   6.525
  468   2HD1  ILE  76          HD13      ILE  76 -12.671  -7.429   5.728
  469   3HD1  ILE  76          HD12      ILE  76 -11.594  -8.766   6.134
  470    H    ILE  77           HN       ILE  77  -7.296  -9.475   4.437
  471    HA   ILE  77           HA       ILE  77  -4.900  -8.019   4.925
  472    HB   ILE  77           HB       ILE  77  -5.385 -10.982   4.485
  473   1HG1  ILE  77          HG12      ILE  77  -6.462 -10.058   6.478
  474   2HG1  ILE  77          HG11      ILE  77  -5.078 -11.038   6.964
  475   1HG2  ILE  77          HG21      ILE  77  -2.917  -9.581   4.431
  476   2HG2  ILE  77          HG23      ILE  77  -3.007 -10.393   5.995
  477   3HG2  ILE  77          HG22      ILE  77  -3.162 -11.326   4.507
  478   1HD1  ILE  77          HD12      ILE  77  -3.846  -8.656   6.699
  479   2HD1  ILE  77          HD11      ILE  77  -5.462  -8.092   7.122
  480   3HD1  ILE  77          HD13      ILE  77  -4.593  -9.174   8.210
  481    H    PHE  78           HN       PHE  78  -5.841 -10.135   2.224
  482    HA   PHE  78           HA       PHE  78  -3.460  -9.957   0.712
  483   1HB   PHE  78           HB2      PHE  78  -6.342 -10.415  -0.025
  484   2HB   PHE  78           HB1      PHE  78  -5.116 -10.269  -1.284
  485    HD1  PHE  78           HD2      PHE  78  -2.796 -11.590  -0.471
  486    HD2  PHE  78           HD1      PHE  78  -6.851 -12.622   0.504
  487    HE1  PHE  78           HE2      PHE  78  -2.104 -13.938  -0.077
  488    HE2  PHE  78           HE1      PHE  78  -6.157 -14.970   0.898
  489    HZ   PHE  78           HZ       PHE  78  -3.784 -15.628   0.608
  490    H    GLY  79           HN       GLY  79  -6.366  -7.842   0.546
  491   1HA   GLY  79           HA2      GLY  79  -5.411  -6.173  -1.537
  492   2HA   GLY  79           HA1      GLY  79  -6.531  -5.642  -0.278
  493    H    VAL  80           HN       VAL  80  -5.003  -5.863   2.003
  494    HA   VAL  80           HA       VAL  80  -3.420  -3.502   1.961
  495    HB   VAL  80           HB       VAL  80  -3.215  -5.854   3.868
  496   1HG1  VAL  80          HG13      VAL  80  -1.520  -3.730   3.690
  497   2HG1  VAL  80          HG12      VAL  80  -2.753  -3.067   4.763
  498   3HG1  VAL  80          HG11      VAL  80  -1.902  -4.548   5.205
  499   1HG2  VAL  80          HG21      VAL  80  -5.472  -4.432   3.354
  500   2HG2  VAL  80          HG23      VAL  80  -5.082  -5.073   4.950
  501   3HG2  VAL  80          HG22      VAL  80  -4.726  -3.390   4.565
  502    H    MET  81           HN       MET  81  -2.447  -6.928   1.840
  503    HA   MET  81           HA       MET  81   0.357  -6.531   1.662
  504   1HB   MET  81           HB2      MET  81  -1.469  -8.692   0.595
  505   2HB   MET  81           HB1      MET  81   0.281  -8.758   0.378
  506   1HG   MET  81           HG2      MET  81   0.131  -8.176   3.034
  507   2HG   MET  81           HG1      MET  81  -1.330  -9.141   2.830
  508   1HE   MET  81           HE1      MET  81   2.085  -8.582   1.868
  509   2HE   MET  81           HE3      MET  81   2.866  -9.735   2.959
  510   3HE   MET  81           HE2      MET  81   2.725 -10.100   1.242
  511    H    ALA  82           HN       ALA  82  -2.092  -6.760  -0.917
  512    HA   ALA  82           HA       ALA  82  -0.338  -6.469  -3.114
  513   1HB   ALA  82           HB1      ALA  82  -3.220  -6.271  -2.671
  514   2HB   ALA  82           HB3      ALA  82  -2.659  -5.120  -3.888
  515   3HB   ALA  82           HB2      ALA  82  -2.338  -6.840  -4.086
  516    H    GLY  83           HN       GLY  83  -1.999  -3.919  -1.191
  517   1HA   GLY  83           HA2      GLY  83  -1.041  -1.713  -2.687
  518   2HA   GLY  83           HA1      GLY  83  -1.428  -1.655  -0.965
  519    H    VAL  84           HN       VAL  84   0.437  -3.397   0.115
  520    HA   VAL  84           HA       VAL  84   2.788  -1.807   0.269
  521    HB   VAL  84           HB       VAL  84   2.462  -4.779   0.795
  522   1HG1  VAL  84          HG12      VAL  84   4.754  -2.956   0.954
  523   2HG1  VAL  84          HG11      VAL  84   4.421  -3.778   2.479
  524   3HG1  VAL  84          HG13      VAL  84   4.715  -4.719   1.016
  525   1HG2  VAL  84          HG21      VAL  84   2.084  -2.291   2.465
  526   2HG2  VAL  84          HG23      VAL  84   0.969  -3.638   2.235
  527   3HG2  VAL  84          HG22      VAL  84   2.422  -3.854   3.210
  528    H    ILE  85           HN       ILE  85   2.162  -4.778  -1.627
  529    HA   ILE  85           HA       ILE  85   4.699  -4.979  -2.866
  530    HB   ILE  85           HB       ILE  85   1.927  -5.739  -3.809
  531   1HG1  ILE  85          HG12      ILE  85   4.173  -7.623  -3.169
  532   2HG1  ILE  85          HG11      ILE  85   3.300  -6.856  -1.840
  533   1HG2  ILE  85          HG23      ILE  85   4.475  -5.672  -5.280
  534   2HG2  ILE  85          HG22      ILE  85   3.683  -7.248  -5.297
  535   3HG2  ILE  85          HG21      ILE  85   2.827  -5.825  -5.891
  536   1HD1  ILE  85          HD13      ILE  85   1.347  -7.733  -3.703
  537   2HD1  ILE  85          HD12      ILE  85   2.476  -9.069  -3.481
  538   3HD1  ILE  85          HD11      ILE  85   1.654  -8.368  -2.087
  539    H    GLY  86           HN       GLY  86   1.778  -3.226  -3.968
  540   1HA   GLY  86           HA2      GLY  86   2.840  -2.231  -6.390
  541   2HA   GLY  86           HA1      GLY  86   1.579  -1.427  -5.455
  542    H    THR  87           HN       THR  87   2.915  -0.780  -3.121
  543    HA   THR  87           HA       THR  87   4.286   1.596  -3.821
  544    HB   THR  87           HB       THR  87   4.609   0.002  -1.261
  545    HG1  THR  87           HG1      THR  87   2.439   0.429  -1.692
  546   1HG2  THR  87          HG22      THR  87   5.077   2.899  -2.002
  547   2HG2  THR  87          HG21      THR  87   4.966   2.339  -0.333
  548   3HG2  THR  87          HG23      THR  87   6.256   1.744  -1.380
  549    H    ILE  88           HN       ILE  88   5.619  -1.577  -2.823
  550    HA   ILE  88           HA       ILE  88   8.360  -0.856  -2.971
  551    HB   ILE  88           HB       ILE  88   6.967  -3.490  -3.524
  552   1HG1  ILE  88          HG12      ILE  88   8.570  -2.468  -1.156
  553   2HG1  ILE  88          HG11      ILE  88   6.811  -2.592  -1.216
  554   1HG2  ILE  88          HG23      ILE  88   9.742  -2.677  -3.943
  555   2HG2  ILE  88          HG22      ILE  88   9.605  -4.016  -2.803
  556   3HG2  ILE  88          HG21      ILE  88   8.927  -4.165  -4.424
  557   1HD1  ILE  88          HD12      ILE  88   7.672  -5.116  -2.013
  558   2HD1  ILE  88          HD11      ILE  88   8.797  -4.678  -0.727
  559   3HD1  ILE  88          HD13      ILE  88   7.061  -4.690  -0.413
  560    H    LEU  89           HN       LEU  89   6.211  -2.190  -5.493
  561    HA   LEU  89           HA       LEU  89   8.120  -2.237  -7.590
  562   1HB   LEU  89           HB2      LEU  89   6.300  -3.208  -8.515
  563   2HB   LEU  89           HB1      LEU  89   5.239  -2.501  -7.305
  564    HG   LEU  89           HG       LEU  89   5.257  -0.368  -8.633
  565   1HD1  LEU  89          HD13      LEU  89   7.149  -1.997 -10.215
  566   2HD1  LEU  89          HD12      LEU  89   5.944  -1.131 -11.169
  567   3HD1  LEU  89          HD11      LEU  89   7.012  -0.244 -10.081
  568   1HD2  LEU  89          HD23      LEU  89   4.115  -2.964  -9.490
  569   2HD2  LEU  89          HD22      LEU  89   3.303  -1.433  -9.160
  570   3HD2  LEU  89          HD21      LEU  89   4.093  -1.695 -10.716
  571    H    LEU  90           HN       LEU  90   5.876   0.337  -6.566
  572    HA   LEU  90           HA       LEU  90   6.588   2.272  -8.517
  573   1HB   LEU  90           HB2      LEU  90   4.688   2.483  -6.887
  574   2HB   LEU  90           HB1      LEU  90   5.867   2.819  -5.619
  575    HG   LEU  90           HG       LEU  90   4.799   4.857  -6.746
  576   1HD1  LEU  90          HD13      LEU  90   7.356   4.409  -5.733
  577   2HD1  LEU  90          HD12      LEU  90   7.646   5.253  -7.255
  578   3HD1  LEU  90          HD11      LEU  90   6.618   5.984  -6.023
  579   1HD2  LEU  90          HD23      LEU  90   5.305   3.598  -9.063
  580   2HD2  LEU  90          HD22      LEU  90   5.255   5.357  -8.951
  581   3HD2  LEU  90          HD21      LEU  90   6.804   4.516  -8.931
  582    H    ILE  91           HN       ILE  91   8.008   1.680  -5.286
  583    HA   ILE  91           HA       ILE  91   9.935   3.757  -5.363
  584    HB   ILE  91           HB       ILE  91  10.237   0.998  -4.132
  585   1HG1  ILE  91          HG12      ILE  91   9.295   3.546  -2.796
  586   2HG1  ILE  91          HG11      ILE  91   8.173   2.379  -3.497
  587   1HG2  ILE  91          HG21      ILE  91  11.901   3.410  -4.186
  588   2HG2  ILE  91          HG23      ILE  91  11.523   2.878  -2.548
  589   3HG2  ILE  91          HG22      ILE  91  12.313   1.774  -3.673
  590   1HD1  ILE  91          HD12      ILE  91   9.340   0.607  -2.076
  591   2HD1  ILE  91          HD11      ILE  91  10.126   1.941  -1.229
  592   3HD1  ILE  91          HD13      ILE  91   8.370   1.784  -1.191
  593    H    SER  92           HN       SER  92  10.226   0.367  -6.507
  594    HA   SER  92           HA       SER  92  12.909   0.588  -7.414
  595   1HB   SER  92           HB2      SER  92  10.753  -1.287  -7.695
  596   2HB   SER  92           HB1      SER  92  11.459  -1.006  -9.284
  597    HG   SER  92           HG       SER  92  12.540  -2.168  -7.011
  598    H    TYR  93           HN       TYR  93   9.836   1.229  -9.134
  599    HA   TYR  93           HA       TYR  93  10.980   2.056 -11.599
  600   1HB   TYR  93           HB2      TYR  93   8.396   2.098 -10.367
  601   2HB   TYR  93           HB1      TYR  93   8.711   3.700 -11.035
  602    HD1  TYR  93           HD2      TYR  93   9.900   3.637 -13.448
  603    HD2  TYR  93           HD1      TYR  93   7.462   0.513 -11.791
  604    HE1  TYR  93           HE2      TYR  93   9.452   2.776 -15.730
  605    HE2  TYR  93           HE1      TYR  93   7.014  -0.348 -14.073
  606    HH   TYR  93           HH       TYR  93   7.497   1.366 -16.810
  607    H    GLY  94           HN       GLY  94  10.132   3.996  -8.710
  608   1HA   GLY  94           HA2      GLY  94  10.973   6.515  -9.697
  609   2HA   GLY  94           HA1      GLY  94  10.953   6.069  -7.990
  610    H    ILE  95           HN       ILE  95  12.802   4.040  -7.894
  611    HA   ILE  95           HA       ILE  95  15.273   5.430  -7.781
  612    HB   ILE  95           HB       ILE  95  14.535   2.508  -7.782
  613   1HG1  ILE  95          HG12      ILE  95  16.222   3.460  -5.642
  614   2HG1  ILE  95          HG11      ILE  95  14.859   4.558  -5.850
  615   1HG2  ILE  95          HG21      ILE  95  17.342   3.661  -7.814
  616   2HG2  ILE  95          HG23      ILE  95  16.953   2.008  -7.338
  617   3HG2  ILE  95          HG22      ILE  95  16.648   2.546  -8.990
  618   1HD1  ILE  95          HD12      ILE  95  14.352   1.602  -5.869
  619   2HD1  ILE  95          HD11      ILE  95  14.616   2.413  -4.325
  620   3HD1  ILE  95          HD13      ILE  95  13.285   2.915  -5.369
  621    H    ARG  96           HN       ARG  96  14.045   3.197 -10.293
  622    HA   ARG  96           HA       ARG  96  16.311   3.280 -11.989
  623   1HB   ARG  96           HB2      ARG  96  13.420   3.169 -12.891
  624   2HB   ARG  96           HB1      ARG  96  14.827   2.561 -13.763
  625   1HG   ARG  96           HG2      ARG  96  15.042   1.314 -11.300
  626   2HG   ARG  96           HG1      ARG  96  13.301   1.314 -11.593
  627   1HD   ARG  96           HD2      ARG  96  14.850   0.624 -13.981
  628   2HD   ARG  96           HD1      ARG  96  15.110  -0.503 -12.650
  629    HE   ARG  96           HE       ARG  96  12.356  -0.198 -12.732
  630   1HH1  ARG  96          HH11      ARG  96  12.396   0.300 -15.592
  631   2HH1  ARG  96          HH12      ARG  96  12.453  -1.285 -16.289
  632   1HH2  ARG  96          HH21      ARG  96  13.481  -2.827 -13.359
  633   2HH2  ARG  96          HH22      ARG  96  13.064  -3.055 -15.025
  634    H    ARG  97           HN       ARG  97  13.435   5.403 -11.959
  635    HA   ARG  97           HA       ARG  97  14.204   7.059 -14.123
  636   1HB   ARG  97           HB2      ARG  97  11.985   7.040 -12.786
  637   2HB   ARG  97           HB1      ARG  97  12.805   8.140 -11.677
  638   1HG   ARG  97           HG2      ARG  97  13.378   9.561 -13.717
  639   2HG   ARG  97           HG1      ARG  97  12.242   8.558 -14.619
  640   1HD   ARG  97           HD2      ARG  97  10.725   9.170 -12.449
  641   2HD   ARG  97           HD1      ARG  97  11.715  10.626 -12.564
  642    HE   ARG  97           HE       ARG  97  10.847  10.214 -15.162
  643   1HH1  ARG  97          HH21      ARG  97   8.366   9.139 -14.826
  644   2HH1  ARG  97          HH22      ARG  97   7.333  10.389 -14.218
  645   1HH2  ARG  97          HH11      ARG  97   9.946  12.417 -13.182
  646   2HH2  ARG  97          HH12      ARG  97   8.225  12.243 -13.287
  647    H    LEU  98           HN       LEU  98  14.905   7.422 -10.644
  648    HA   LEU  98           HA       LEU  98  16.358   9.846 -10.799
  649   1HB   LEU  98           HB2      LEU  98  16.212   7.559  -8.914
  650   2HB   LEU  98           HB1      LEU  98  17.677   8.537  -8.817
  651    HG   LEU  98           HG       LEU  98  15.312  10.209  -9.066
  652   1HD1  LEU  98          HD11      LEU  98  14.990   7.875  -7.459
  653   2HD1  LEU  98          HD13      LEU  98  15.176   9.247  -6.369
  654   3HD1  LEU  98          HD12      LEU  98  13.904   9.258  -7.589
  655   1HD2  LEU  98          HD22      LEU  98  17.680   9.886  -7.238
  656   2HD2  LEU  98          HD21      LEU  98  17.253  11.251  -8.271
  657   3HD2  LEU  98          HD23      LEU  98  16.363  10.963  -6.776
  658    H    ILE  99           HN       ILE  99  17.514   6.486 -11.070
  659    HA   ILE  99           HA       ILE  99  20.251   7.284 -11.643
  660    HB   ILE  99           HB       ILE  99  20.550   4.883 -12.193
  661   1HG1  ILE  99          HG12      ILE  99  17.558   4.726 -11.709
  662   2HG1  ILE  99          HG11      ILE  99  18.322   4.622 -13.295
  663   1HG2  ILE  99          HG21      ILE  99  19.928   5.992  -9.729
  664   2HG2  ILE  99          HG23      ILE  99  18.848   4.601  -9.822
  665   3HG2  ILE  99          HG22      ILE  99  20.590   4.377  -9.983
  666   1HD1  ILE  99          HD12      ILE  99  19.734   2.707 -12.245
  667   2HD1  ILE  99          HD11      ILE  99  18.484   2.675 -11.001
  668   3HD1  ILE  99          HD13      ILE  99  18.061   2.364 -12.684
  669    H    LYS 100           HN       LYS 100  17.406   6.423 -13.555
  670    HA   LYS 100           HA       LYS 100  18.965   6.617 -16.062
  671   1HB   LYS 100           HB2      LYS 100  16.170   5.756 -15.358
  672   2HB   LYS 100           HB1      LYS 100  16.547   6.217 -17.019
  673   1HG   LYS 100           HG2      LYS 100  17.929   4.067 -15.387
  674   2HG   LYS 100           HG1      LYS 100  16.870   3.816 -16.774
  675   1HD   LYS 100           HD2      LYS 100  18.817   5.632 -17.667
  676   2HD   LYS 100           HD1      LYS 100  19.704   4.427 -16.732
  677   1HE   LYS 100           HE2      LYS 100  19.584   3.594 -18.981
  678   2HE   LYS 100           HE1      LYS 100  18.442   2.647 -18.027
  679   1HZ   LYS 100           HZ2      LYS 100  16.973   4.774 -18.845
  680   2HZ   LYS 100           HZ1      LYS 100  17.947   4.453 -20.199
  681   3HZ   LYS 100           HZ3      LYS 100  16.958   3.233 -19.561
  682    H    LYS 101           HN       LYS 101  19.290   8.615 -16.884
  683    HA   LYS 101           HA       LYS 101  17.035  10.445 -17.232
  684   1HB   LYS 101           HB2      LYS 101  19.350  11.199 -15.418
  685   2HB   LYS 101           HB1      LYS 101  18.155  12.338 -16.038
  686   1HG   LYS 101           HG2      LYS 101  16.395  10.733 -15.020
  687   2HG   LYS 101           HG1      LYS 101  17.747  10.059 -14.108
  688   1HD   LYS 101           HD2      LYS 101  16.889  12.968 -14.118
  689   2HD   LYS 101           HD1      LYS 101  16.641  11.820 -12.802
  690   1HE   LYS 101           HE2      LYS 101  18.630  12.567 -12.013
  691   2HE   LYS 101           HE1      LYS 101  19.346  11.583 -13.289
  692   1HZ   LYS 101           HZ3      LYS 101  18.483  14.389 -13.698
  693   2HZ   LYS 101           HZ2      LYS 101  20.063  13.962 -13.241
  694   3HZ   LYS 101           HZ1      LYS 101  19.434  13.436 -14.729
   
  No H/Q in entry =         694
  Start of MODEL    4
    1   1H    VAL  62           HT2      VAL  62 -27.378 -12.760   2.085
    2   2H    VAL  62           HT1      VAL  62 -28.557 -12.850   0.864
    3   3H    VAL  62           HT3      VAL  62 -26.930 -12.598   0.455
    4    HA   VAL  62           HA       VAL  62 -26.951 -10.445   1.543
    5    HB   VAL  62           HB       VAL  62 -29.340 -10.668  -0.300
    6   1HG1  VAL  62          HG11      VAL  62 -27.643  -8.531   0.745
    7   2HG1  VAL  62          HG13      VAL  62 -27.710  -8.529  -1.018
    8   3HG1  VAL  62          HG12      VAL  62 -29.199  -8.423  -0.079
    9   1HG2  VAL  62          HG22      VAL  62 -26.379 -10.842  -0.916
   10   2HG2  VAL  62          HG21      VAL  62 -27.636 -12.003  -1.344
   11   3HG2  VAL  62          HG23      VAL  62 -27.586 -10.426  -2.132
   12    H    GLN  63           HN       GLN  63 -28.293  -8.768   2.563
   13    HA   GLN  63           HA       GLN  63 -30.850  -9.729   3.728
   14   1HB   GLN  63           HB2      GLN  63 -30.200  -9.228   5.980
   15   2HB   GLN  63           HB1      GLN  63 -28.914 -10.230   5.309
   16   1HG   GLN  63           HG2      GLN  63 -27.523  -8.585   6.017
   17   2HG   GLN  63           HG1      GLN  63 -28.093  -7.700   4.602
   18   1HE2  GLN  63          HE22      GLN  63 -29.192  -5.162   6.794
   19   2HE2  GLN  63          HE21      GLN  63 -28.216  -5.577   5.471
   20    H    LEU  64           HN       LEU  64 -32.114  -7.920   4.663
   21    HA   LEU  64           HA       LEU  64 -31.243  -5.249   3.639
   22   1HB   LEU  64           HB2      LEU  64 -33.931  -6.602   3.351
   23   2HB   LEU  64           HB1      LEU  64 -33.727  -4.859   3.176
   24    HG   LEU  64           HG       LEU  64 -32.042  -6.822   1.618
   25   1HD1  LEU  64          HD11      LEU  64 -34.740  -5.634   0.916
   26   2HD1  LEU  64          HD13      LEU  64 -33.646  -6.331  -0.278
   27   3HD1  LEU  64          HD12      LEU  64 -34.315  -7.343   1.003
   28   1HD2  LEU  64          HD23      LEU  64 -32.251  -3.941   1.881
   29   2HD2  LEU  64          HD22      LEU  64 -31.044  -4.890   1.013
   30   3HD2  LEU  64          HD21      LEU  64 -32.548  -4.433   0.214
   31    H    ALA  65           HN       ALA  65 -30.674  -4.541   5.761
   32    HA   ALA  65           HA       ALA  65 -33.022  -3.982   7.481
   33   1HB   ALA  65           HB1      ALA  65 -30.720  -5.730   8.172
   34   2HB   ALA  65           HB3      ALA  65 -31.222  -4.580   9.411
   35   3HB   ALA  65           HB2      ALA  65 -32.374  -5.758   8.781
   36    H    HIS  66           HN       HIS  66 -31.065  -2.470   5.719
   37    HA   HIS  66           HA       HIS  66 -29.826  -0.475   5.815
   38   1HB   HIS  66           HB2      HIS  66 -32.130   0.080   6.909
   39   2HB   HIS  66           HB1      HIS  66 -31.225   0.087   8.422
   40    HD1  HIS  66           HD1      HIS  66 -31.720   2.006   5.263
   41    HD2  HIS  66           HD2      HIS  66 -29.246   2.171   8.615
   42    HE1  HIS  66           HE1      HIS  66 -30.595   4.275   5.212
   43    H    HIS  67           HN       HIS  67 -27.889  -1.827   6.313
   44    HA   HIS  67           HA       HIS  67 -26.611  -0.881   8.773
   45   1HB   HIS  67           HB2      HIS  67 -27.799  -3.526   8.630
   46   2HB   HIS  67           HB1      HIS  67 -26.055  -3.636   8.867
   47    HD1  HIS  67           HD1      HIS  67 -28.930  -3.573  10.846
   48    HD2  HIS  67           HD2      HIS  67 -25.380  -1.392  10.996
   49    HE1  HIS  67           HE1      HIS  67 -28.742  -2.671  13.205
   50    H    PHE  68           HN       PHE  68 -26.278  -3.394   6.234
   51    HA   PHE  68           HA       PHE  68 -24.545  -3.730   4.683
   52   1HB   PHE  68           HB2      PHE  68 -24.432  -0.884   5.326
   53   2HB   PHE  68           HB1      PHE  68 -22.838  -1.538   4.946
   54    HD1  PHE  68           HD1      PHE  68 -22.356  -2.500   2.749
   55    HD2  PHE  68           HD2      PHE  68 -26.230  -0.893   3.673
   56    HE1  PHE  68           HE1      PHE  68 -22.938  -2.519   0.338
   57    HE2  PHE  68           HE2      PHE  68 -26.813  -0.911   1.263
   58    HZ   PHE  68           HZ       PHE  68 -25.167  -1.725  -0.405
   59    H    SER  69           HN       SER  69 -23.074  -1.923   7.409
   60    HA   SER  69           HA       SER  69 -21.484  -2.665   8.986
   61   1HB   SER  69           HB2      SER  69 -21.460  -5.378   7.683
   62   2HB   SER  69           HB1      SER  69 -21.192  -4.961   9.374
   63    HG   SER  69           HG       SER  69 -23.282  -5.869   8.949
   64    H    GLU  70           HN       GLU  70 -20.652  -1.296   6.744
   65    HA   GLU  70           HA       GLU  70 -18.754  -0.896   5.421
   66   1HB   GLU  70           HB2      GLU  70 -17.747  -2.645   7.644
   67   2HB   GLU  70           HB1      GLU  70 -16.667  -2.224   6.314
   68   1HG   GLU  70           HG2      GLU  70 -16.825   0.095   6.767
   69   2HG   GLU  70           HG1      GLU  70 -18.253  -0.116   7.779
   70    HA   PRO  71           HA       PRO  71 -19.590  -4.424   2.702
   71   1HB   PRO  71           HB2      PRO  71 -18.433  -2.793   0.604
   72   2HB   PRO  71           HB1      PRO  71 -20.118  -3.292   0.806
   73   1HG   PRO  71           HG2      PRO  71 -19.045  -0.672   1.214
   74   2HG   PRO  71           HG1      PRO  71 -20.695  -1.215   1.546
   75   1HD   PRO  71           HD2      PRO  71 -18.608  -0.577   3.453
   76   2HD   PRO  71           HD1      PRO  71 -20.291  -1.039   3.778
   77    H    GLU  72           HN       GLU  72 -18.119  -5.862   1.564
   78    HA   GLU  72           HA       GLU  72 -15.531  -6.099   2.707
   79   1HB   GLU  72           HB2      GLU  72 -16.383  -7.212   0.022
   80   2HB   GLU  72           HB1      GLU  72 -15.146  -7.856   1.102
   81   1HG   GLU  72           HG2      GLU  72 -17.355  -7.744   2.747
   82   2HG   GLU  72           HG1      GLU  72 -18.065  -8.188   1.195
   83    H    ILE  73           HN       ILE  73 -16.093  -5.497  -0.776
   84    HA   ILE  73           HA       ILE  73 -13.617  -4.674  -1.554
   85    HB   ILE  73           HB       ILE  73 -15.797  -4.725  -2.913
   86   1HG1  ILE  73          HG12      ILE  73 -14.685  -2.411  -4.048
   87   2HG1  ILE  73          HG11      ILE  73 -13.358  -3.199  -3.192
   88   1HG2  ILE  73          HG21      ILE  73 -17.011  -3.073  -1.509
   89   2HG2  ILE  73          HG23      ILE  73 -15.849  -1.835  -1.986
   90   3HG2  ILE  73          HG22      ILE  73 -16.915  -2.557  -3.192
   91   1HD1  ILE  73          HD12      ILE  73 -14.777  -5.277  -4.451
   92   2HD1  ILE  73          HD11      ILE  73 -14.655  -3.994  -5.656
   93   3HD1  ILE  73          HD13      ILE  73 -13.195  -4.646  -4.910
   94    H    THR  74           HN       THR  74 -15.983  -2.530   0.072
   95    HA   THR  74           HA       THR  74 -14.371  -0.188   0.020
   96    HB   THR  74           HB       THR  74 -15.783  -0.189   2.474
   97    HG1  THR  74           HG1      THR  74 -16.842  -2.044   1.816
   98   1HG2  THR  74          HG22      THR  74 -15.567   1.327   0.148
   99   2HG2  THR  74          HG21      THR  74 -17.264   0.848   0.185
  100   3HG2  THR  74          HG23      THR  74 -16.563   1.716   1.552
  101    H    LEU  75           HN       LEU  75 -14.597  -2.757   2.501
  102    HA   LEU  75           HA       LEU  75 -12.559  -1.583   4.189
  103   1HB   LEU  75           HB2      LEU  75 -14.363  -3.507   4.646
  104   2HB   LEU  75           HB1      LEU  75 -13.006  -4.537   4.194
  105    HG   LEU  75           HG       LEU  75 -13.132  -2.517   6.441
  106   1HD1  LEU  75          HD13      LEU  75 -13.443  -5.358   6.234
  107   2HD1  LEU  75          HD12      LEU  75 -11.965  -5.026   7.138
  108   3HD1  LEU  75          HD11      LEU  75 -13.502  -4.356   7.683
  109   1HD2  LEU  75          HD22      LEU  75 -10.743  -3.872   5.166
  110   2HD2  LEU  75          HD21      LEU  75 -10.992  -2.146   5.428
  111   3HD2  LEU  75          HD23      LEU  75 -10.701  -3.213   6.802
  112    H    ILE  76           HN       ILE  76 -12.469  -4.230   1.773
  113    HA   ILE  76           HA       ILE  76  -9.717  -4.839   2.061
  114    HB   ILE  76           HB       ILE  76 -11.372  -4.879  -0.487
  115   1HG1  ILE  76          HG12      ILE  76 -10.842  -7.160   1.421
  116   2HG1  ILE  76          HG11      ILE  76 -12.254  -6.117   1.590
  117   1HG2  ILE  76          HG22      ILE  76  -8.742  -5.140  -0.465
  118   2HG2  ILE  76          HG21      ILE  76  -9.114  -6.747   0.158
  119   3HG2  ILE  76          HG23      ILE  76  -9.732  -6.246  -1.416
  120   1HD1  ILE  76          HD11      ILE  76 -11.580  -7.481  -1.016
  121   2HD1  ILE  76          HD13      ILE  76 -12.569  -8.262   0.217
  122   3HD1  ILE  76          HD12      ILE  76 -13.113  -6.759  -0.531
  123    H    ILE  77           HN       ILE  77 -11.318  -2.466  -0.090
  124    HA   ILE  77           HA       ILE  77  -8.949  -1.436  -1.282
  125    HB   ILE  77           HB       ILE  77 -11.568  -0.067  -0.594
  126   1HG1  ILE  77          HG12      ILE  77 -10.499  -1.033  -3.261
  127   2HG1  ILE  77          HG11      ILE  77 -11.566  -1.998  -2.240
  128   1HG2  ILE  77          HG23      ILE  77  -9.079   1.079  -1.397
  129   2HG2  ILE  77          HG22      ILE  77 -10.181   1.165  -2.771
  130   3HG2  ILE  77          HG21      ILE  77 -10.641   1.881  -1.226
  131   1HD1  ILE  77          HD13      ILE  77 -13.074   0.149  -2.252
  132   2HD1  ILE  77          HD12      ILE  77 -12.152   0.567  -3.695
  133   3HD1  ILE  77          HD11      ILE  77 -13.093  -0.925  -3.650
  134    H    PHE  78           HN       PHE  78 -10.692  -0.429   1.661
  135    HA   PHE  78           HA       PHE  78  -8.978   1.692   2.425
  136   1HB   PHE  78           HB2      PHE  78 -10.459  -0.242   4.234
  137   2HB   PHE  78           HB1      PHE  78  -9.855   1.349   4.696
  138    HD1  PHE  78           HD2      PHE  78 -10.522   2.566   1.866
  139    HD2  PHE  78           HD1      PHE  78 -12.788   0.349   4.764
  140    HE1  PHE  78           HE2      PHE  78 -12.611   3.601   1.024
  141    HE2  PHE  78           HE1      PHE  78 -14.877   1.384   3.921
  142    HZ   PHE  78           HZ       PHE  78 -14.789   3.009   2.051
  143    H    GLY  79           HN       GLY  79  -8.814  -1.777   3.291
  144   1HA   GLY  79           HA2      GLY  79  -6.522  -1.615   4.946
  145   2HA   GLY  79           HA1      GLY  79  -6.979  -3.048   4.021
  146    H    VAL  80           HN       VAL  80  -6.747  -2.154   1.418
  147    HA   VAL  80           HA       VAL  80  -3.974  -2.384   0.935
  148    HB   VAL  80           HB       VAL  80  -6.149  -1.235  -0.826
  149   1HG1  VAL  80          HG11      VAL  80  -3.604  -0.736  -1.314
  150   2HG1  VAL  80          HG13      VAL  80  -3.583  -2.419  -1.839
  151   3HG1  VAL  80          HG12      VAL  80  -4.663  -1.265  -2.621
  152   1HG2  VAL  80          HG23      VAL  80  -5.574  -3.883   0.090
  153   2HG2  VAL  80          HG22      VAL  80  -6.774  -3.388  -1.103
  154   3HG2  VAL  80          HG21      VAL  80  -5.141  -3.807  -1.618
  155    H    MET  81           HN       MET  81  -6.000   0.576   0.919
  156    HA   MET  81           HA       MET  81  -3.891   2.386   0.304
  157   1HB   MET  81           HB2      MET  81  -6.399   2.729   1.971
  158   2HB   MET  81           HB1      MET  81  -5.316   4.066   1.581
  159   1HG   MET  81           HG2      MET  81  -6.140   2.380  -0.714
  160   2HG   MET  81           HG1      MET  81  -7.420   3.346   0.020
  161   1HE   MET  81           HE3      MET  81  -8.042   4.784  -1.510
  162   2HE   MET  81           HE2      MET  81  -7.633   6.030  -0.333
  163   3HE   MET  81           HE1      MET  81  -7.208   6.256  -2.028
  164    H    ALA  82           HN       ALA  82  -5.109   1.241   3.443
  165    HA   ALA  82           HA       ALA  82  -3.295   2.658   5.092
  166   1HB   ALA  82           HB2      ALA  82  -5.159   0.432   5.419
  167   2HB   ALA  82           HB1      ALA  82  -3.717   0.245   6.423
  168   3HB   ALA  82           HB3      ALA  82  -4.706   1.697   6.559
  169    H    GLY  83           HN       GLY  83  -2.958  -0.602   3.626
  170   1HA   GLY  83           HA2      GLY  83  -0.470  -1.252   4.791
  171   2HA   GLY  83           HA1      GLY  83  -1.022  -1.853   3.226
  172    H    VAL  84           HN       VAL  84  -1.122   0.476   1.706
  173    HA   VAL  84           HA       VAL  84   1.594   0.831   0.970
  174    HB   VAL  84           HB       VAL  84  -0.759   2.696   0.535
  175   1HG1  VAL  84          HG11      VAL  84   1.663   3.603   0.269
  176   2HG1  VAL  84          HG13      VAL  84   1.739   2.553  -1.146
  177   3HG1  VAL  84          HG12      VAL  84   0.537   3.839  -1.067
  178   1HG2  VAL  84          HG21      VAL  84   0.225   0.205  -0.748
  179   2HG2  VAL  84          HG23      VAL  84  -1.409   0.866  -0.679
  180   3HG2  VAL  84          HG22      VAL  84  -0.251   1.498  -1.849
  181    H    ILE  85           HN       ILE  85  -0.507   2.962   2.957
  182    HA   ILE  85           HA       ILE  85   1.454   4.945   3.495
  183    HB   ILE  85           HB       ILE  85  -0.889   3.935   5.126
  184   1HG1  ILE  85          HG12      ILE  85  -0.720   6.685   4.007
  185   2HG1  ILE  85          HG11      ILE  85  -0.878   5.378   2.833
  186   1HG2  ILE  85          HG21      ILE  85   0.968   6.272   5.665
  187   2HG2  ILE  85          HG23      ILE  85  -0.585   6.034   6.466
  188   3HG2  ILE  85          HG22      ILE  85   0.716   4.865   6.698
  189   1HD1  ILE  85          HD11      ILE  85  -2.715   4.655   4.756
  190   2HD1  ILE  85          HD13      ILE  85  -2.848   6.414   4.755
  191   3HD1  ILE  85          HD12      ILE  85  -3.101   5.509   3.262
  192    H    GLY  86           HN       GLY  86   0.658   1.982   5.330
  193   1HA   GLY  86           HA2      GLY  86   2.561   2.294   7.400
  194   2HA   GLY  86           HA1      GLY  86   1.945   0.740   6.837
  195    H    THR  87           HN       THR  87   2.902   0.638   4.251
  196    HA   THR  87           HA       THR  87   5.560  -0.257   4.597
  197    HB   THR  87           HB       THR  87   4.134   0.655   2.083
  198    HG1  THR  87           HG1      THR  87   3.158  -1.115   2.938
  199   1HG2  THR  87          HG21      THR  87   6.888   0.129   2.467
  200   2HG2  THR  87          HG23      THR  87   6.217  -1.289   1.660
  201   3HG2  THR  87          HG22      THR  87   6.034   0.308   0.935
  202    H    ILE  88           HN       ILE  88   4.395   2.840   3.227
  203    HA   ILE  88           HA       ILE  88   6.940   3.921   2.625
  204    HB   ILE  88           HB       ILE  88   4.346   5.237   3.453
  205   1HG1  ILE  88          HG12      ILE  88   5.826   4.888   0.828
  206   2HG1  ILE  88          HG11      ILE  88   4.290   4.149   1.284
  207   1HG2  ILE  88          HG23      ILE  88   6.991   6.470   2.654
  208   2HG2  ILE  88          HG22      ILE  88   5.460   7.333   2.505
  209   3HG2  ILE  88          HG21      ILE  88   6.029   6.814   4.091
  210   1HD1  ILE  88          HD12      ILE  88   4.134   7.007   1.640
  211   2HD1  ILE  88          HD11      ILE  88   4.675   6.640   0.002
  212   3HD1  ILE  88          HD13      ILE  88   3.159   5.969   0.600
  213    H    LEU  89           HN       LEU  89   5.044   4.193   5.664
  214    HA   LEU  89           HA       LEU  89   6.932   5.788   7.052
  215   1HB   LEU  89           HB2      LEU  89   5.232   5.671   8.526
  216   2HB   LEU  89           HB1      LEU  89   4.544   4.292   7.678
  217    HG   LEU  89           HG       LEU  89   6.171   2.819   8.923
  218   1HD1  LEU  89          HD11      LEU  89   7.580   5.012   9.451
  219   2HD1  LEU  89          HD13      LEU  89   6.540   5.059  10.875
  220   3HD1  LEU  89          HD12      LEU  89   7.565   3.655  10.577
  221   1HD2  LEU  89          HD22      LEU  89   3.717   3.617   9.637
  222   2HD2  LEU  89          HD21      LEU  89   4.687   2.576  10.679
  223   3HD2  LEU  89          HD23      LEU  89   4.612   4.311  10.990
  224    H    LEU  90           HN       LEU  90   6.661   2.223   6.889
  225    HA   LEU  90           HA       LEU  90   8.896   1.626   8.548
  226   1HB   LEU  90           HB2      LEU  90   7.268  -0.072   7.707
  227   2HB   LEU  90           HB1      LEU  90   7.972   0.089   6.098
  228    HG   LEU  90           HG       LEU  90  10.033  -0.333   8.105
  229   1HD1  LEU  90          HD11      LEU  90   7.894  -2.468   7.816
  230   2HD1  LEU  90          HD13      LEU  90   9.441  -2.674   8.637
  231   3HD1  LEU  90          HD12      LEU  90   8.244  -1.554   9.284
  232   1HD2  LEU  90          HD21      LEU  90  10.109  -0.635   5.570
  233   2HD2  LEU  90          HD23      LEU  90  10.789  -1.959   6.514
  234   3HD2  LEU  90          HD22      LEU  90   9.181  -2.115   5.809
  235    H    ILE  91           HN       ILE  91   8.727   2.112   5.024
  236    HA   ILE  91           HA       ILE  91  11.472   1.715   4.448
  237    HB   ILE  91           HB       ILE  91   9.387   3.476   3.139
  238   1HG1  ILE  91          HG12      ILE  91  10.659   0.897   2.189
  239   2HG1  ILE  91          HG11      ILE  91   9.176   0.934   3.143
  240   1HG2  ILE  91          HG22      ILE  91  12.259   2.914   2.386
  241   2HG2  ILE  91          HG21      ILE  91  11.055   3.371   1.181
  242   3HG2  ILE  91          HG23      ILE  91  11.446   4.475   2.499
  243   1HD1  ILE  91          HD12      ILE  91   8.385   2.660   1.324
  244   2HD1  ILE  91          HD11      ILE  91   9.651   1.916   0.347
  245   3HD1  ILE  91          HD13      ILE  91   8.327   0.934   0.971
  246    H    SER  92           HN       SER  92   9.761   4.742   5.302
  247    HA   SER  92           HA       SER  92  12.007   6.448   5.092
  248   1HB   SER  92           HB2      SER  92  10.481   7.290   7.341
  249   2HB   SER  92           HB1      SER  92  10.420   7.921   5.698
  250    HG   SER  92           HG       SER  92   8.396   7.152   6.214
  251    H    TYR  93           HN       TYR  93  10.839   4.597   7.942
  252    HA   TYR  93           HA       TYR  93  12.902   5.431   9.710
  253   1HB   TYR  93           HB2      TYR  93  10.855   4.064  10.320
  254   2HB   TYR  93           HB1      TYR  93  11.682   2.659   9.647
  255    HD1  TYR  93           HD1      TYR  93  11.808   5.255  12.290
  256    HD2  TYR  93           HD2      TYR  93  13.518   1.608  10.799
  257    HE1  TYR  93           HE1      TYR  93  13.060   4.974  14.412
  258    HE2  TYR  93           HE2      TYR  93  14.770   1.327  12.922
  259    HH   TYR  93           HH       TYR  93  14.311   2.231  15.457
  260    H    GLY  94           HN       GLY  94  12.803   2.607   7.506
  261   1HA   GLY  94           HA2      GLY  94  15.372   1.587   8.123
  262   2HA   GLY  94           HA1      GLY  94  14.558   1.366   6.573
  263    H    ILE  95           HN       ILE  95  14.402   3.930   5.614
  264    HA   ILE  95           HA       ILE  95  16.984   4.366   4.520
  265    HB   ILE  95           HB       ILE  95  14.458   5.987   4.652
  266   1HG1  ILE  95          HG12      ILE  95  14.432   5.632   2.313
  267   2HG1  ILE  95          HG11      ILE  95  16.163   5.309   2.255
  268   1HG2  ILE  95          HG22      ILE  95  17.199   7.020   3.959
  269   2HG2  ILE  95          HG21      ILE  95  15.779   7.646   3.121
  270   3HG2  ILE  95          HG23      ILE  95  15.914   7.812   4.872
  271   1HD1  ILE  95          HD13      ILE  95  14.304   3.511   3.804
  272   2HD1  ILE  95          HD12      ILE  95  14.558   3.285   2.075
  273   3HD1  ILE  95          HD11      ILE  95  15.917   3.156   3.190
  274    H    ARG  96           HN       ARG  96  15.346   6.068   7.200
  275    HA   ARG  96           HA       ARG  96  17.404   7.926   7.779
  276   1HB   ARG  96           HB2      ARG  96  15.431   6.542   9.618
  277   2HB   ARG  96           HB1      ARG  96  16.458   7.886  10.116
  278   1HG   ARG  96           HG2      ARG  96  15.449   9.035   7.955
  279   2HG   ARG  96           HG1      ARG  96  14.146   7.874   8.212
  280   1HD   ARG  96           HD2      ARG  96  15.127   9.422  10.573
  281   2HD   ARG  96           HD1      ARG  96  14.117  10.262   9.395
  282    HE   ARG  96           HE       ARG  96  12.725   7.924   9.894
  283   1HH1  ARG  96          HH11      ARG  96  13.506  10.883  11.390
  284   2HH1  ARG  96          HH12      ARG  96  12.590  10.574  12.827
  285   1HH2  ARG  96          HH21      ARG  96  11.780   7.322  11.931
  286   2HH2  ARG  96          HH22      ARG  96  11.613   8.558  13.133
  287    H    ARG  97           HN       ARG  97  16.898   4.638   9.061
  288    HA   ARG  97           HA       ARG  97  19.134   4.581  10.794
  289   1HB   ARG  97           HB2      ARG  97  17.490   2.515   9.410
  290   2HB   ARG  97           HB1      ARG  97  19.055   2.001  10.037
  291   1HG   ARG  97           HG2      ARG  97  18.090   3.491  12.130
  292   2HG   ARG  97           HG1      ARG  97  16.612   2.767  11.497
  293   1HD   ARG  97           HD2      ARG  97  17.175   0.904  12.638
  294   2HD   ARG  97           HD1      ARG  97  18.454   0.676  11.446
  295    HE   ARG  97           HE       ARG  97  19.062   1.036  14.076
  296   1HH1  ARG  97          HH21      ARG  97  19.075   3.850  14.210
  297   2HH1  ARG  97          HH22      ARG  97  20.589   4.343  13.526
  298   1HH2  ARG  97          HH11      ARG  97  21.155   1.317  11.929
  299   2HH2  ARG  97          HH12      ARG  97  21.765   2.909  12.235
  300    H    LEU  98           HN       LEU  98  18.948   3.629   7.351
  301    HA   LEU  98           HA       LEU  98  21.639   2.796   7.085
  302   1HB   LEU  98           HB2      LEU  98  20.748   2.321   5.063
  303   2HB   LEU  98           HB1      LEU  98  19.415   3.437   5.333
  304    HG   LEU  98           HG       LEU  98  20.961   5.315   4.658
  305   1HD1  LEU  98          HD12      LEU  98  23.016   3.779   5.116
  306   2HD1  LEU  98          HD11      LEU  98  22.720   3.163   3.490
  307   3HD1  LEU  98          HD13      LEU  98  23.081   4.872   3.734
  308   1HD2  LEU  98          HD22      LEU  98  19.689   3.302   3.032
  309   2HD2  LEU  98          HD21      LEU  98  19.866   5.027   2.707
  310   3HD2  LEU  98          HD23      LEU  98  21.126   3.900   2.203
  311    H    ILE  99           HN       ILE  99  20.207   6.036   6.643
  312    HA   ILE  99           HA       ILE  99  22.783   7.286   6.133
  313    HB   ILE  99           HB       ILE  99  21.498   9.407   6.414
  314   1HG1  ILE  99          HG12      ILE  99  19.144   7.570   6.941
  315   2HG1  ILE  99          HG11      ILE  99  19.991   8.449   8.211
  316   1HG2  ILE  99          HG23      ILE  99  20.509   7.174   4.659
  317   2HG2  ILE  99          HG22      ILE  99  19.695   8.738   4.624
  318   3HG2  ILE  99          HG21      ILE  99  21.406   8.624   4.210
  319   1HD1  ILE  99          HD13      ILE  99  19.532  10.575   6.896
  320   2HD1  ILE  99          HD12      ILE  99  18.467   9.615   5.869
  321   3HD1  ILE  99          HD11      ILE  99  18.105   9.800   7.585
  322    H    LYS 100           HN       LYS 100  20.708   6.814   8.950
  323    HA   LYS 100           HA       LYS 100  22.098   8.548  10.745
  324   1HB   LYS 100           HB2      LYS 100  19.904   7.657  11.316
  325   2HB   LYS 100           HB1      LYS 100  20.532   6.007  11.285
  326   1HG   LYS 100           HG2      LYS 100  21.176   6.192  13.429
  327   2HG   LYS 100           HG1      LYS 100  22.192   7.575  13.016
  328   1HD   LYS 100           HD2      LYS 100  19.281   8.122  13.167
  329   2HD   LYS 100           HD1      LYS 100  20.068   7.740  14.700
  330   1HE   LYS 100           HE2      LYS 100  21.883   9.448  13.901
  331   2HE   LYS 100           HE1      LYS 100  20.618  10.017  12.813
  332   1HZ   LYS 100           HZ2      LYS 100  19.828   9.602  15.575
  333   2HZ   LYS 100           HZ1      LYS 100  20.905  10.888  15.304
  334   3HZ   LYS 100           HZ3      LYS 100  19.412  10.850  14.500
  335    H    LYS 101           HN       LYS 101  23.980   8.275  11.880
  336    HA   LYS 101           HA       LYS 101  25.946   7.255  12.671
  337   1HB   LYS 101           HB2      LYS 101  23.953   5.225  12.787
  338   2HB   LYS 101           HB1      LYS 101  25.409   4.490  12.115
  339   1HG   LYS 101           HG2      LYS 101  26.347   4.458  14.159
  340   2HG   LYS 101           HG1      LYS 101  26.193   6.214  14.258
  341   1HD   LYS 101           HD2      LYS 101  23.817   5.905  15.004
  342   2HD   LYS 101           HD1      LYS 101  24.104   4.166  15.049
  343   1HE   LYS 101           HE2      LYS 101  24.498   4.860  17.273
  344   2HE   LYS 101           HE1      LYS 101  26.113   4.736  16.577
  345   1HZ   LYS 101           HZ2      LYS 101  24.958   7.298  16.114
  346   2HZ   LYS 101           HZ1      LYS 101  25.020   6.943  17.775
  347   3HZ   LYS 101           HZ3      LYS 101  26.438   6.900  16.846
  348   1H    VAL  62           HT2      VAL  62 -23.654 -24.892   1.063
  349   2H    VAL  62           HT1      VAL  62 -25.055 -25.157   0.139
  350   3H    VAL  62           HT3      VAL  62 -24.171 -23.723  -0.058
  351    HA   VAL  62           HA       VAL  62 -25.688 -22.848   1.318
  352    HB   VAL  62           HB       VAL  62 -26.099 -25.683   2.309
  353   1HG1  VAL  62          HG12      VAL  62 -27.073 -23.050   3.291
  354   2HG1  VAL  62          HG11      VAL  62 -28.276 -24.334   3.167
  355   3HG1  VAL  62          HG13      VAL  62 -26.842 -24.563   4.168
  356   1HG2  VAL  62          HG22      VAL  62 -27.425 -23.883   0.316
  357   2HG2  VAL  62          HG21      VAL  62 -27.116 -25.617   0.224
  358   3HG2  VAL  62          HG23      VAL  62 -28.432 -25.007   1.228
  359    H    GLN  63           HN       GLN  63 -24.940 -25.281   3.726
  360    HA   GLN  63           HA       GLN  63 -23.690 -25.144   5.700
  361   1HB   GLN  63           HB2      GLN  63 -21.660 -25.073   4.548
  362   2HB   GLN  63           HB1      GLN  63 -22.066 -23.577   3.714
  363   1HG   GLN  63           HG2      GLN  63 -21.844 -22.357   5.894
  364   2HG   GLN  63           HG1      GLN  63 -21.299 -23.861   6.639
  365   1HE2  GLN  63          HE22      GLN  63 -18.028 -23.620   5.337
  366   2HE2  GLN  63          HE21      GLN  63 -19.122 -24.506   6.286
  367    H    LEU  64           HN       LEU  64 -23.040 -23.508   7.439
  368    HA   LEU  64           HA       LEU  64 -23.741 -20.773   7.349
  369   1HB   LEU  64           HB2      LEU  64 -26.032 -22.329   7.144
  370   2HB   LEU  64           HB1      LEU  64 -25.965 -21.928   8.861
  371    HG   LEU  64           HG       LEU  64 -25.357 -19.512   7.835
  372   1HD1  LEU  64          HD11      LEU  64 -27.156 -20.854   5.793
  373   2HD1  LEU  64          HD13      LEU  64 -26.830 -19.122   5.867
  374   3HD1  LEU  64          HD12      LEU  64 -25.523 -20.251   5.506
  375   1HD2  LEU  64          HD22      LEU  64 -27.993 -20.838   8.425
  376   2HD2  LEU  64          HD21      LEU  64 -27.123 -19.631   9.371
  377   3HD2  LEU  64          HD23      LEU  64 -27.957 -19.158   7.891
  378    H    ALA  65           HN       ALA  65 -23.515 -23.744   9.212
  379    HA   ALA  65           HA       ALA  65 -22.866 -22.135  11.640
  380   1HB   ALA  65           HB2      ALA  65 -24.531 -24.299  11.392
  381   2HB   ALA  65           HB1      ALA  65 -23.027 -25.071  11.894
  382   3HB   ALA  65           HB3      ALA  65 -23.751 -23.813  12.896
  383    H    HIS  66           HN       HIS  66 -20.983 -22.350   9.472
  384    HA   HIS  66           HA       HIS  66 -18.732 -23.505  10.972
  385   1HB   HIS  66           HB2      HIS  66 -19.544 -24.525   8.234
  386   2HB   HIS  66           HB1      HIS  66 -17.979 -24.847   8.984
  387    HD1  HIS  66           HD1      HIS  66 -21.625 -25.697   9.249
  388    HD2  HIS  66           HD2      HIS  66 -18.058 -26.668  11.178
  389    HE1  HIS  66           HE1      HIS  66 -22.136 -27.675  10.745
  390    H    HIS  67           HN       HIS  67 -18.768 -20.947  10.751
  391    HA   HIS  67           HA       HIS  67 -17.487 -20.131   8.189
  392   1HB   HIS  67           HB2      HIS  67 -17.896 -17.825   8.961
  393   2HB   HIS  67           HB1      HIS  67 -19.389 -18.763   8.982
  394    HD1  HIS  67           HD1      HIS  67 -20.213 -19.625  11.356
  395    HD2  HIS  67           HD2      HIS  67 -17.047 -16.916  11.476
  396    HE1  HIS  67           HE1      HIS  67 -20.049 -18.821  13.752
  397    H    PHE  68           HN       PHE  68 -15.578 -21.473   9.102
  398    HA   PHE  68           HA       PHE  68 -14.085 -20.467  11.344
  399   1HB   PHE  68           HB2      PHE  68 -12.995 -21.973   8.949
  400   2HB   PHE  68           HB1      PHE  68 -12.300 -21.900  10.568
  401    HD1  PHE  68           HD2      PHE  68 -13.981 -22.617  12.517
  402    HD2  PHE  68           HD1      PHE  68 -14.315 -23.818   8.407
  403    HE1  PHE  68           HE2      PHE  68 -15.357 -24.565  13.197
  404    HE2  PHE  68           HE1      PHE  68 -15.691 -25.766   9.087
  405    HZ   PHE  68           HZ       PHE  68 -16.212 -26.139  11.483
  406    H    SER  69           HN       SER  69 -13.909 -18.170  11.049
  407    HA   SER  69           HA       SER  69 -12.617 -16.294  10.429
  408   1HB   SER  69           HB2      SER  69 -11.017 -18.480   9.649
  409   2HB   SER  69           HB1      SER  69 -11.097 -17.426   8.241
  410    HG   SER  69           HG       SER  69  -9.831 -16.108   9.259
  411    H    GLU  70           HN       GLU  70 -14.012 -14.950   9.373
  412    HA   GLU  70           HA       GLU  70 -15.441 -15.658   6.989
  413   1HB   GLU  70           HB2      GLU  70 -16.010 -13.239   6.889
  414   2HB   GLU  70           HB1      GLU  70 -16.251 -13.906   8.504
  415   1HG   GLU  70           HG2      GLU  70 -13.904 -13.100   9.060
  416   2HG   GLU  70           HG1      GLU  70 -13.934 -12.219   7.532
  417    HA   PRO  71           HA       PRO  71 -12.408 -15.072   3.876
  418   1HB   PRO  71           HB2      PRO  71 -14.295 -14.025   1.982
  419   2HB   PRO  71           HB1      PRO  71 -13.673 -15.678   2.092
  420   1HG   PRO  71           HG2      PRO  71 -16.318 -14.743   2.770
  421   2HG   PRO  71           HG1      PRO  71 -15.693 -16.395   2.862
  422   1HD   PRO  71           HD2      PRO  71 -16.263 -14.598   5.045
  423   2HD   PRO  71           HD1      PRO  71 -15.634 -16.256   5.133
  424    H    GLU  72           HN       GLU  72 -14.562 -12.502   4.859
  425    HA   GLU  72           HA       GLU  72 -13.684 -10.311   3.374
  426   1HB   GLU  72           HB2      GLU  72 -14.162 -10.301   6.369
  427   2HB   GLU  72           HB1      GLU  72 -14.286  -8.920   5.279
  428   1HG   GLU  72           HG2      GLU  72 -15.991 -10.522   4.011
  429   2HG   GLU  72           HG1      GLU  72 -16.138 -11.243   5.615
  430    H    ILE  73           HN       ILE  73 -12.380 -10.813   6.662
  431    HA   ILE  73           HA       ILE  73 -10.106  -9.261   6.417
  432    HB   ILE  73           HB       ILE  73 -10.990 -10.600   8.450
  433   1HG1  ILE  73          HG12      ILE  73  -8.270 -10.959   8.927
  434   2HG1  ILE  73          HG11      ILE  73  -8.330  -9.698   7.695
  435   1HG2  ILE  73          HG21      ILE  73 -10.669 -12.812   7.169
  436   2HG2  ILE  73          HG23      ILE  73  -8.947 -12.615   7.498
  437   3HG2  ILE  73          HG22      ILE  73 -10.089 -12.765   8.834
  438   1HD1  ILE  73          HD11      ILE  73 -10.389  -9.265   9.681
  439   2HD1  ILE  73          HD13      ILE  73  -8.805  -9.379  10.449
  440   3HD1  ILE  73          HD12      ILE  73  -9.085  -8.187   9.181
  441    H    THR  74           HN       THR  74 -10.641 -12.476   5.098
  442    HA   THR  74           HA       THR  74  -7.913 -13.096   4.474
  443    HB   THR  74           HB       THR  74 -10.105 -14.001   2.656
  444    HG1  THR  74           HG1      THR  74  -9.994 -14.338   5.424
  445   1HG2  THR  74          HG22      THR  74  -7.474 -14.776   3.301
  446   2HG2  THR  74          HG21      THR  74  -8.520 -16.024   3.976
  447   3HG2  THR  74          HG23      THR  74  -8.610 -15.633   2.259
  448    H    LEU  75           HN       LEU  75 -10.484 -11.550   2.532
  449    HA   LEU  75           HA       LEU  75  -8.697 -11.095   0.283
  450   1HB   LEU  75           HB2      LEU  75 -11.370 -11.156   0.431
  451   2HB   LEU  75           HB1      LEU  75 -11.141  -9.418   0.639
  452    HG   LEU  75           HG       LEU  75 -10.210 -11.140  -1.671
  453   1HD1  LEU  75          HD11      LEU  75 -12.483  -9.475  -1.181
  454   2HD1  LEU  75          HD13      LEU  75 -11.489  -8.694  -2.410
  455   3HD1  LEU  75          HD12      LEU  75 -12.066 -10.342  -2.658
  456   1HD2  LEU  75          HD23      LEU  75  -9.470  -8.294  -0.926
  457   2HD2  LEU  75          HD22      LEU  75  -8.373  -9.658  -1.149
  458   3HD2  LEU  75          HD21      LEU  75  -9.224  -8.975  -2.535
  459    H    ILE  76           HN       ILE  76 -10.022  -8.985   2.867
  460    HA   ILE  76           HA       ILE  76  -8.778  -6.602   1.982
  461    HB   ILE  76           HB       ILE  76  -9.262  -7.474   4.849
  462   1HG1  ILE  76          HG12      ILE  76 -11.040  -5.782   3.081
  463   2HG1  ILE  76          HG11      ILE  76 -11.227  -7.532   3.198
  464   1HG2  ILE  76          HG23      ILE  76  -7.773  -5.383   4.165
  465   2HG2  ILE  76          HG22      ILE  76  -9.347  -4.642   3.878
  466   3HG2  ILE  76          HG21      ILE  76  -8.944  -5.267   5.478
  467   1HD1  ILE  76          HD13      ILE  76 -11.236  -5.672   5.583
  468   2HD1  ILE  76          HD12      ILE  76 -12.696  -6.255   4.784
  469   3HD1  ILE  76          HD11      ILE  76 -11.614  -7.393   5.582
  470    H    ILE  77           HN       ILE  77  -7.485  -9.095   4.239
  471    HA   ILE  77           HA       ILE  77  -4.961  -7.831   4.645
  472    HB   ILE  77           HB       ILE  77  -5.682  -9.788   5.966
  473   1HG1  ILE  77          HG12      ILE  77  -3.316 -10.954   4.659
  474   2HG1  ILE  77          HG11      ILE  77  -3.135  -9.244   5.056
  475   1HG2  ILE  77          HG21      ILE  77  -6.701 -10.910   3.907
  476   2HG2  ILE  77          HG23      ILE  77  -5.074 -11.471   3.537
  477   3HG2  ILE  77          HG22      ILE  77  -5.860 -11.964   5.039
  478   1HD1  ILE  77          HD12      ILE  77  -4.410 -10.602   7.252
  479   2HD1  ILE  77          HD11      ILE  77  -2.926 -11.453   6.819
  480   3HD1  ILE  77          HD13      ILE  77  -2.871  -9.739   7.234
  481    H    PHE  78           HN       PHE  78  -6.016 -10.209   2.208
  482    HA   PHE  78           HA       PHE  78  -3.565 -10.416   0.794
  483   1HB   PHE  78           HB2      PHE  78  -6.403 -10.557  -0.271
  484   2HB   PHE  78           HB1      PHE  78  -4.970 -11.093  -1.147
  485    HD1  PHE  78           HD2      PHE  78  -3.663 -12.012   1.660
  486    HD2  PHE  78           HD1      PHE  78  -7.309 -12.884  -0.441
  487    HE1  PHE  78           HE2      PHE  78  -3.790 -14.209   2.794
  488    HE2  PHE  78           HE1      PHE  78  -7.434 -15.084   0.696
  489    HZ   PHE  78           HZ       PHE  78  -5.674 -15.747   2.313
  490    H    GLY  79           HN       GLY  79  -6.284  -8.142   0.272
  491   1HA   GLY  79           HA2      GLY  79  -5.161  -6.772  -1.940
  492   2HA   GLY  79           HA1      GLY  79  -6.286  -6.045  -0.789
  493    H    VAL  80           HN       VAL  80  -4.840  -6.116   1.560
  494    HA   VAL  80           HA       VAL  80  -3.165  -3.851   1.332
  495    HB   VAL  80           HB       VAL  80  -3.227  -5.992   3.470
  496   1HG1  VAL  80          HG12      VAL  80  -1.401  -3.830   3.063
  497   2HG1  VAL  80          HG11      VAL  80  -2.429  -3.422   4.436
  498   3HG1  VAL  80          HG13      VAL  80  -1.503  -4.924   4.443
  499   1HG2  VAL  80          HG21      VAL  80  -5.113  -4.017   2.707
  500   2HG2  VAL  80          HG23      VAL  80  -5.121  -4.980   4.184
  501   3HG2  VAL  80          HG22      VAL  80  -4.333  -3.404   4.164
  502    H    MET  81           HN       MET  81  -2.244  -7.304   1.576
  503    HA   MET  81           HA       MET  81   0.567  -6.887   1.447
  504   1HB   MET  81           HB2      MET  81  -1.053  -9.183   0.294
  505   2HB   MET  81           HB1      MET  81   0.685  -9.207   0.599
  506   1HG   MET  81           HG2      MET  81   0.423  -9.318   2.890
  507   2HG   MET  81           HG1      MET  81  -1.112  -8.450   2.862
  508   1HE   MET  81           HE2      MET  81   0.102 -10.760   4.265
  509   2HE   MET  81           HE1      MET  81  -1.308 -11.767   4.589
  510   3HE   MET  81           HE3      MET  81  -0.011 -12.363   3.542
  511    H    ALA  82           HN       ALA  82  -1.804  -7.414  -1.161
  512    HA   ALA  82           HA       ALA  82   0.002  -7.250  -3.337
  513   1HB   ALA  82           HB2      ALA  82  -2.888  -7.187  -2.982
  514   2HB   ALA  82           HB1      ALA  82  -2.373  -6.089  -4.266
  515   3HB   ALA  82           HB3      ALA  82  -1.939  -7.795  -4.335
  516    H    GLY  83           HN       GLY  83  -1.841  -4.635  -1.710
  517   1HA   GLY  83           HA2      GLY  83  -0.985  -2.515  -3.372
  518   2HA   GLY  83           HA1      GLY  83  -1.431  -2.333  -1.675
  519    H    VAL  84           HN       VAL  84   0.526  -3.821  -0.401
  520    HA   VAL  84           HA       VAL  84   2.702  -2.016  -0.292
  521    HB   VAL  84           HB       VAL  84   2.613  -4.950   0.468
  522   1HG1  VAL  84          HG13      VAL  84   4.737  -2.922   0.556
  523   2HG1  VAL  84          HG12      VAL  84   4.425  -3.678   2.119
  524   3HG1  VAL  84          HG11      VAL  84   4.849  -4.674   0.727
  525   1HG2  VAL  84          HG22      VAL  84   1.713  -2.411   1.721
  526   2HG2  VAL  84          HG21      VAL  84   1.094  -4.049   1.931
  527   3HG2  VAL  84          HG23      VAL  84   2.552  -3.540   2.783
  528    H    ILE  85           HN       ILE  85   2.501  -5.183  -1.993
  529    HA   ILE  85           HA       ILE  85   5.135  -5.135  -3.051
  530    HB   ILE  85           HB       ILE  85   2.614  -6.237  -4.331
  531   1HG1  ILE  85          HG12      ILE  85   3.000  -7.165  -2.100
  532   2HG1  ILE  85          HG11      ILE  85   3.403  -8.378  -3.314
  533   1HG2  ILE  85          HG23      ILE  85   5.011  -5.894  -5.563
  534   2HG2  ILE  85          HG22      ILE  85   5.274  -7.463  -4.802
  535   3HG2  ILE  85          HG21      ILE  85   3.926  -7.238  -5.916
  536   1HD1  ILE  85          HD12      ILE  85   5.800  -7.690  -3.143
  537   2HD1  ILE  85          HD11      ILE  85   5.357  -6.592  -1.837
  538   3HD1  ILE  85          HD13      ILE  85   5.162  -8.332  -1.629
  539    H    GLY  86           HN       GLY  86   2.104  -3.858  -4.468
  540   1HA   GLY  86           HA2      GLY  86   3.230  -2.829  -6.858
  541   2HA   GLY  86           HA1      GLY  86   1.786  -2.182  -6.076
  542    H    THR  87           HN       THR  87   2.780  -1.277  -3.684
  543    HA   THR  87           HA       THR  87   3.846   1.261  -4.328
  544    HB   THR  87           HB       THR  87   4.038  -0.262  -1.711
  545    HG1  THR  87           HG1      THR  87   1.929  -0.011  -2.202
  546   1HG2  THR  87          HG23      THR  87   5.586   1.709  -1.950
  547   2HG2  THR  87          HG22      THR  87   4.167   2.722  -2.213
  548   3HG2  THR  87          HG21      THR  87   4.386   1.891  -0.672
  549    H    ILE  88           HN       ILE  88   5.526  -1.645  -3.089
  550    HA   ILE  88           HA       ILE  88   8.113  -0.513  -2.924
  551    HB   ILE  88           HB       ILE  88   7.211  -3.331  -3.566
  552   1HG1  ILE  88          HG12      ILE  88   8.335  -2.010  -1.074
  553   2HG1  ILE  88          HG11      ILE  88   6.658  -2.503  -1.318
  554   1HG2  ILE  88          HG23      ILE  88   9.919  -2.108  -3.503
  555   2HG2  ILE  88          HG22      ILE  88   9.736  -3.639  -2.647
  556   3HG2  ILE  88          HG21      ILE  88   9.349  -3.537  -4.365
  557   1HD1  ILE  88          HD13      ILE  88   7.584  -4.861  -1.744
  558   2HD1  ILE  88          HD12      ILE  88   9.101  -4.264  -1.070
  559   3HD1  ILE  88          HD11      ILE  88   7.641  -4.280  -0.080
  560    H    LEU  89           HN       LEU  89   6.567  -2.182  -5.701
  561    HA   LEU  89           HA       LEU  89   8.773  -1.926  -7.470
  562   1HB   LEU  89           HB2      LEU  89   7.319  -3.116  -8.718
  563   2HB   LEU  89           HB1      LEU  89   6.003  -2.702  -7.628
  564    HG   LEU  89           HG       LEU  89   5.729  -0.541  -8.870
  565   1HD1  LEU  89          HD11      LEU  89   8.237  -1.098  -9.849
  566   2HD1  LEU  89          HD13      LEU  89   7.209  -1.552 -11.208
  567   3HD1  LEU  89          HD12      LEU  89   7.128   0.081 -10.549
  568   1HD2  LEU  89          HD22      LEU  89   5.131  -3.230  -9.776
  569   2HD2  LEU  89          HD21      LEU  89   4.135  -1.779  -9.884
  570   3HD2  LEU  89          HD23      LEU  89   5.306  -2.141 -11.152
  571    H    LEU  90           HN       LEU  90   6.020   0.277  -6.910
  572    HA   LEU  90           HA       LEU  90   6.780   2.300  -8.758
  573   1HB   LEU  90           HB2      LEU  90   5.291   2.422  -6.125
  574   2HB   LEU  90           HB1      LEU  90   5.531   3.843  -7.141
  575    HG   LEU  90           HG       LEU  90   4.303   1.273  -8.166
  576   1HD1  LEU  90          HD12      LEU  90   3.089   3.633  -6.768
  577   2HD1  LEU  90          HD11      LEU  90   2.187   2.859  -8.071
  578   3HD1  LEU  90          HD13      LEU  90   2.662   1.925  -6.653
  579   1HD2  LEU  90          HD23      LEU  90   5.256   3.652  -9.402
  580   2HD2  LEU  90          HD22      LEU  90   4.380   2.322 -10.159
  581   3HD2  LEU  90          HD21      LEU  90   3.495   3.694  -9.492
  582    H    ILE  91           HN       ILE  91   7.618   1.920  -5.313
  583    HA   ILE  91           HA       ILE  91   9.194   4.254  -5.049
  584    HB   ILE  91           HB       ILE  91   9.395   1.552  -3.700
  585   1HG1  ILE  91          HG12      ILE  91   8.399   4.238  -2.700
  586   2HG1  ILE  91          HG11      ILE  91   7.348   2.978  -3.347
  587   1HG2  ILE  91          HG21      ILE  91  11.587   2.718  -3.650
  588   2HG2  ILE  91          HG23      ILE  91  10.798   4.144  -2.976
  589   3HG2  ILE  91          HG22      ILE  91  10.850   2.645  -2.049
  590   1HD1  ILE  91          HD11      ILE  91   8.786   1.543  -1.537
  591   2HD1  ILE  91          HD13      ILE  91   8.746   3.117  -0.743
  592   3HD1  ILE  91          HD12      ILE  91   7.240   2.307  -1.170
  593    H    SER  92           HN       SER  92  10.230   0.957  -6.034
  594    HA   SER  92           HA       SER  92  12.981   1.585  -6.319
  595   1HB   SER  92           HB2      SER  92  11.313  -0.306  -8.007
  596   2HB   SER  92           HB1      SER  92  13.071  -0.306  -7.907
  597    HG   SER  92           HG       SER  92  12.689  -1.644  -6.316
  598    H    TYR  93           HN       TYR  93  10.335   1.799  -8.730
  599    HA   TYR  93           HA       TYR  93  11.922   2.848 -10.846
  600   1HB   TYR  93           HB2      TYR  93   9.606   2.124 -11.204
  601   2HB   TYR  93           HB1      TYR  93   9.022   3.423 -10.162
  602    HD1  TYR  93           HD1      TYR  93  11.106   2.858 -13.227
  603    HD2  TYR  93           HD2      TYR  93   8.470   5.497 -11.097
  604    HE1  TYR  93           HE1      TYR  93  11.098   4.410 -15.161
  605    HE2  TYR  93           HE2      TYR  93   8.462   7.050 -13.031
  606    HH   TYR  93           HH       TYR  93  10.271   6.283 -16.010
  607    H    GLY  94           HN       GLY  94  10.097   4.543  -8.288
  608   1HA   GLY  94           HA2      GLY  94  10.736   7.192  -9.036
  609   2HA   GLY  94           HA1      GLY  94  10.359   6.684  -7.392
  610    H    ILE  95           HN       ILE  95  12.480   5.010  -6.795
  611    HA   ILE  95           HA       ILE  95  14.502   6.857  -6.072
  612    HB   ILE  95           HB       ILE  95  13.986   4.313  -5.323
  613   1HG1  ILE  95          HG12      ILE  95  16.825   5.221  -5.069
  614   2HG1  ILE  95          HG11      ILE  95  15.552   6.255  -4.419
  615   1HG2  ILE  95          HG22      ILE  95  14.914   3.353  -7.418
  616   2HG2  ILE  95          HG21      ILE  95  16.464   4.110  -7.061
  617   3HG2  ILE  95          HG23      ILE  95  15.834   2.850  -6.002
  618   1HD1  ILE  95          HD12      ILE  95  14.670   4.318  -3.133
  619   2HD1  ILE  95          HD11      ILE  95  16.004   3.335  -3.737
  620   3HD1  ILE  95          HD13      ILE  95  16.329   4.712  -2.684
  621    H    ARG  96           HN       ARG  96  14.464   4.530  -8.792
  622    HA   ARG  96           HA       ARG  96  17.027   5.178  -9.831
  623   1HB   ARG  96           HB2      ARG  96  14.484   4.336 -11.251
  624   2HB   ARG  96           HB1      ARG  96  16.061   4.431 -12.036
  625   1HG   ARG  96           HG2      ARG  96  16.672   2.967  -9.807
  626   2HG   ARG  96           HG1      ARG  96  15.025   2.424 -10.132
  627   1HD   ARG  96           HD2      ARG  96  17.464   2.205 -11.878
  628   2HD   ARG  96           HD1      ARG  96  16.287   0.961 -11.452
  629    HE   ARG  96           HE       ARG  96  14.806   2.810 -12.890
  630   1HH1  ARG  96          HH21      ARG  96  16.678   3.730 -14.685
  631   2HH1  ARG  96          HH22      ARG  96  16.953   2.458 -15.828
  632   1HH2  ARG  96          HH11      ARG  96  15.602  -0.011 -13.801
  633   2HH2  ARG  96          HH12      ARG  96  16.343   0.339 -15.328
  634    H    ARG  97           HN       ARG  97  13.840   6.617 -10.544
  635    HA   ARG  97           HA       ARG  97  14.739   8.538 -12.420
  636   1HB   ARG  97           HB2      ARG  97  12.329   7.995 -11.862
  637   2HB   ARG  97           HB1      ARG  97  12.518   8.974 -10.405
  638   1HG   ARG  97           HG2      ARG  97  13.424  10.248 -12.922
  639   2HG   ARG  97           HG1      ARG  97  11.686   9.987 -12.788
  640   1HD   ARG  97           HD2      ARG  97  13.117  11.126 -10.424
  641   2HD   ARG  97           HD1      ARG  97  12.835  12.185 -11.803
  642    HE   ARG  97           HE       ARG  97  10.886  11.752  -9.934
  643   1HH1  ARG  97          HH11      ARG  97  10.875  12.431 -13.123
  644   2HH1  ARG  97          HH12      ARG  97   9.364  11.675 -13.507
  645   1HH2  ARG  97          HH21      ARG  97   9.099  10.053 -10.453
  646   2HH2  ARG  97          HH22      ARG  97   8.358  10.329 -11.995
  647    H    LEU  98           HN       LEU  98  14.434   8.810  -8.873
  648    HA   LEU  98           HA       LEU  98  15.264  11.503  -8.632
  649   1HB   LEU  98           HB2      LEU  98  14.944   9.215  -6.883
  650   2HB   LEU  98           HB1      LEU  98  16.390  10.126  -6.444
  651    HG   LEU  98           HG       LEU  98  14.192  11.917  -7.059
  652   1HD1  LEU  98          HD11      LEU  98  13.372   9.528  -5.816
  653   2HD1  LEU  98          HD13      LEU  98  13.498  10.711  -4.515
  654   3HD1  LEU  98          HD12      LEU  98  12.466  11.037  -5.907
  655   1HD2  LEU  98          HD22      LEU  98  16.364  11.558  -5.169
  656   2HD2  LEU  98          HD21      LEU  98  15.538  13.044  -5.640
  657   3HD2  LEU  98          HD23      LEU  98  14.890  12.050  -4.335
  658    H    ILE  99           HN       ILE  99  17.234   8.522  -8.646
  659    HA   ILE  99           HA       ILE  99  19.725  10.045  -8.583
  660    HB   ILE  99           HB       ILE  99  20.771   7.817  -8.852
  661   1HG1  ILE  99          HG12      ILE  99  18.038   6.573  -8.826
  662   2HG1  ILE  99          HG11      ILE  99  18.712   7.118 -10.361
  663   1HG2  ILE  99          HG23      ILE  99  18.688   8.399  -6.813
  664   2HG2  ILE  99          HG22      ILE  99  19.255   6.731  -6.887
  665   3HG2  ILE  99          HG21      ILE  99  20.401   8.040  -6.600
  666   1HD1  ILE  99          HD13      ILE  99  20.838   5.780  -9.178
  667   2HD1  ILE  99          HD12      ILE  99  19.444   4.796  -8.732
  668   3HD1  ILE  99          HD11      ILE  99  19.784   5.126 -10.431
  669    H    LYS 100           HN       LYS 100  20.573   7.822 -10.718
  670    HA   LYS 100           HA       LYS 100  21.009   7.844 -13.017
  671   1HB   LYS 100           HB2      LYS 100  18.527   7.568 -13.088
  672   2HB   LYS 100           HB1      LYS 100  18.366   9.325 -13.147
  673   1HG   LYS 100           HG2      LYS 100  19.413   9.465 -15.270
  674   2HG   LYS 100           HG1      LYS 100  20.062   7.829 -15.148
  675   1HD   LYS 100           HD2      LYS 100  17.342   7.420 -14.875
  676   2HD   LYS 100           HD1      LYS 100  17.421   8.723 -16.061
  677   1HE   LYS 100           HE2      LYS 100  19.403   6.605 -16.525
  678   2HE   LYS 100           HE1      LYS 100  17.735   6.041 -16.635
  679   1HZ   LYS 100           HZ2      LYS 100  17.641   8.381 -17.959
  680   2HZ   LYS 100           HZ1      LYS 100  19.192   7.825 -18.368
  681   3HZ   LYS 100           HZ3      LYS 100  17.835   6.863 -18.695
  682    H    LYS 101           HN       LYS 101  22.247   9.159 -14.323
  683    HA   LYS 101           HA       LYS 101  21.845  11.921 -14.791
  684   1HB   LYS 101           HB2      LYS 101  23.420  13.009 -13.338
  685   2HB   LYS 101           HB1      LYS 101  22.371  12.037 -12.310
  686   1HG   LYS 101           HG2      LYS 101  24.089  10.747 -11.616
  687   2HG   LYS 101           HG1      LYS 101  24.693  10.530 -13.258
  688   1HD   LYS 101           HD2      LYS 101  25.963  12.519 -13.183
  689   2HD   LYS 101           HD1      LYS 101  25.067  13.140 -11.796
  690   1HE   LYS 101           HE2      LYS 101  26.676  10.597 -11.595
  691   2HE   LYS 101           HE1      LYS 101  27.429  12.175 -11.361
  692   1HZ   LYS 101           HZ2      LYS 101  24.950  11.509  -9.924
  693   2HZ   LYS 101           HZ1      LYS 101  26.438  10.925  -9.347
  694   3HZ   LYS 101           HZ3      LYS 101  26.184  12.595  -9.493
   
  No H/Q in entry =         694
  Start of MODEL    5
    1   1H    VAL  62           HT3      VAL  62 -33.134   1.192  17.923
    2   2H    VAL  62           HT2      VAL  62 -33.357   2.391  16.740
    3   3H    VAL  62           HT1      VAL  62 -33.185   0.763  16.283
    4    HA   VAL  62           HA       VAL  62 -31.135   1.891  15.842
    5    HB   VAL  62           HB       VAL  62 -29.947   3.085  17.562
    6   1HG1  VAL  62          HG13      VAL  62 -32.256   3.983  16.477
    7   2HG1  VAL  62          HG12      VAL  62 -32.677   4.077  18.187
    8   3HG1  VAL  62          HG11      VAL  62 -31.275   4.953  17.575
    9   1HG2  VAL  62          HG22      VAL  62 -31.794   1.578  19.302
   10   2HG2  VAL  62          HG21      VAL  62 -30.164   2.163  19.633
   11   3HG2  VAL  62          HG23      VAL  62 -31.541   3.253  19.794
   12    H    GLN  63           HN       GLN  63 -28.995   1.354  17.639
   13    HA   GLN  63           HA       GLN  63 -29.403  -1.429  18.561
   14   1HB   GLN  63           HB2      GLN  63 -27.128  -1.896  17.257
   15   2HB   GLN  63           HB1      GLN  63 -28.689  -2.085  16.459
   16   1HG   GLN  63           HG2      GLN  63 -27.291  -0.777  14.993
   17   2HG   GLN  63           HG1      GLN  63 -28.487   0.315  15.690
   18   1HE2  GLN  63          HE22      GLN  63 -24.540   0.792  16.605
   19   2HE2  GLN  63          HE21      GLN  63 -25.058  -0.548  15.700
   20    H    LEU  64           HN       LEU  64 -27.433  -2.205  19.762
   21    HA   LEU  64           HA       LEU  64 -26.009   0.121  20.996
   22   1HB   LEU  64           HB2      LEU  64 -27.463  -2.100  22.145
   23   2HB   LEU  64           HB1      LEU  64 -25.786  -2.122  22.692
   24    HG   LEU  64           HG       LEU  64 -26.141   0.438  23.082
   25   1HD1  LEU  64          HD12      LEU  64 -28.962  -0.631  22.874
   26   2HD1  LEU  64          HD11      LEU  64 -28.573   0.829  23.784
   27   3HD1  LEU  64          HD13      LEU  64 -28.266   0.763  22.048
   28   1HD2  LEU  64          HD22      LEU  64 -27.366  -1.753  24.780
   29   2HD2  LEU  64          HD21      LEU  64 -25.752  -1.058  24.928
   30   3HD2  LEU  64          HD23      LEU  64 -27.169  -0.093  25.345
   31    H    ALA  65           HN       ALA  65 -25.509  -2.261  18.817
   32    HA   ALA  65           HA       ALA  65 -22.986  -3.339  19.805
   33   1HB   ALA  65           HB2      ALA  65 -24.702  -3.670  17.439
   34   2HB   ALA  65           HB1      ALA  65 -22.977  -3.756  17.078
   35   3HB   ALA  65           HB3      ALA  65 -23.686  -4.852  18.264
   36    H    HIS  66           HN       HIS  66 -22.015  -1.174  20.274
   37    HA   HIS  66           HA       HIS  66 -21.488   0.871  18.467
   38   1HB   HIS  66           HB2      HIS  66 -20.328  -0.077  20.927
   39   2HB   HIS  66           HB1      HIS  66 -19.041   0.416  19.826
   40    HD1  HIS  66           HD1      HIS  66 -19.358   2.894  18.749
   41    HD2  HIS  66           HD2      HIS  66 -21.656   2.051  22.123
   42    HE1  HIS  66           HE1      HIS  66 -20.155   5.123  19.648
   43    H    HIS  67           HN       HIS  67 -19.934   1.228  16.839
   44    HA   HIS  67           HA       HIS  67 -18.416   0.655  15.143
   45   1HB   HIS  67           HB2      HIS  67 -17.578  -0.843  17.450
   46   2HB   HIS  67           HB1      HIS  67 -17.386  -1.845  16.011
   47    HD1  HIS  67           HD1      HIS  67 -15.050  -1.593  15.190
   48    HD2  HIS  67           HD2      HIS  67 -16.605   2.043  16.510
   49    HE1  HIS  67           HE1      HIS  67 -13.272   0.153  14.736
   50    H    PHE  68           HN       PHE  68 -19.123  -0.156  13.240
   51    HA   PHE  68           HA       PHE  68 -20.220  -2.907  13.152
   52   1HB   PHE  68           HB2      PHE  68 -22.019  -1.719  11.523
   53   2HB   PHE  68           HB1      PHE  68 -22.324  -1.988  13.239
   54    HD1  PHE  68           HD2      PHE  68 -20.831   0.521  10.888
   55    HD2  PHE  68           HD1      PHE  68 -22.811  -0.169  14.637
   56    HE1  PHE  68           HE2      PHE  68 -21.014   2.969  11.244
   57    HE2  PHE  68           HE1      PHE  68 -22.994   2.278  14.992
   58    HZ   PHE  68           HZ       PHE  68 -22.094   3.848  13.296
   59    H    SER  69           HN       SER  69 -20.151  -3.809  10.986
   60    HA   SER  69           HA       SER  69 -18.555  -2.173   9.056
   61   1HB   SER  69           HB2      SER  69 -18.140  -5.055   8.832
   62   2HB   SER  69           HB1      SER  69 -16.952  -3.759   8.932
   63    HG   SER  69           HG       SER  69 -17.873  -5.433  10.858
   64    H    GLU  70           HN       GLU  70 -18.618  -3.491   6.820
   65    HA   GLU  70           HA       GLU  70 -20.622  -5.146   5.969
   66   1HB   GLU  70           HB2      GLU  70 -22.413  -3.931   6.876
   67   2HB   GLU  70           HB1      GLU  70 -21.714  -2.377   6.444
   68   1HG   GLU  70           HG2      GLU  70 -22.135  -4.034   4.088
   69   2HG   GLU  70           HG1      GLU  70 -23.634  -3.803   4.989
   70    HA   PRO  71           HA       PRO  71 -19.544  -2.085   2.348
   71   1HB   PRO  71           HB2      PRO  71 -17.404  -0.403   3.279
   72   2HB   PRO  71           HB1      PRO  71 -19.003   0.090   2.706
   73   1HG   PRO  71           HG2      PRO  71 -18.019   0.121   5.414
   74   2HG   PRO  71           HG1      PRO  71 -19.617   0.610   4.835
   75   1HD   PRO  71           HD2      PRO  71 -18.932  -1.741   6.342
   76   2HD   PRO  71           HD1      PRO  71 -20.530  -1.253   5.753
   77    H    GLU  72           HN       GLU  72 -18.662  -4.392   2.260
   78    HA   GLU  72           HA       GLU  72 -16.059  -5.155   2.986
   79   1HB   GLU  72           HB2      GLU  72 -18.082  -6.069   1.072
   80   2HB   GLU  72           HB1      GLU  72 -16.433  -6.408   0.545
   81   1HG   GLU  72           HG2      GLU  72 -16.780  -6.964   3.381
   82   2HG   GLU  72           HG1      GLU  72 -17.913  -7.890   2.397
   83    H    ILE  73           HN       ILE  73 -16.901  -4.279  -0.389
   84    HA   ILE  73           HA       ILE  73 -14.368  -3.936  -1.397
   85    HB   ILE  73           HB       ILE  73 -16.618  -3.590  -2.576
   86   1HG1  ILE  73          HG12      ILE  73 -15.341  -1.501  -3.847
   87   2HG1  ILE  73          HG11      ILE  73 -14.019  -2.309  -3.002
   88   1HG2  ILE  73          HG23      ILE  73 -17.401  -1.806  -1.003
   89   2HG2  ILE  73          HG22      ILE  73 -16.142  -0.744  -1.635
   90   3HG2  ILE  73          HG21      ILE  73 -17.443  -1.298  -2.691
   91   1HD1  ILE  73          HD13      ILE  73 -15.577  -4.387  -4.057
   92   2HD1  ILE  73          HD12      ILE  73 -15.491  -3.185  -5.345
   93   3HD1  ILE  73          HD11      ILE  73 -14.009  -3.842  -4.652
   94    H    THR  74           HN       THR  74 -16.212  -1.443   0.394
   95    HA   THR  74           HA       THR  74 -14.287   0.618   0.277
   96    HB   THR  74           HB       THR  74 -15.664   0.236   2.884
   97    HG1  THR  74           HG1      THR  74 -17.175   0.893   0.601
   98   1HG2  THR  74          HG23      THR  74 -14.552   2.336   1.410
   99   2HG2  THR  74          HG22      THR  74 -16.293   2.593   1.301
  100   3HG2  THR  74          HG21      THR  74 -15.514   2.483   2.880
  101    H    LEU  75           HN       LEU  75 -14.611  -2.028   2.642
  102    HA   LEU  75           HA       LEU  75 -12.275  -1.304   4.163
  103   1HB   LEU  75           HB2      LEU  75 -14.249  -2.944   4.746
  104   2HB   LEU  75           HB1      LEU  75 -13.234  -4.145   3.948
  105    HG   LEU  75           HG       LEU  75 -12.594  -2.491   6.396
  106   1HD1  LEU  75          HD12      LEU  75 -13.596  -5.072   6.008
  107   2HD1  LEU  75          HD11      LEU  75 -11.885  -5.316   6.364
  108   3HD1  LEU  75          HD13      LEU  75 -12.906  -4.434   7.500
  109   1HD2  LEU  75          HD22      LEU  75 -10.723  -4.012   4.562
  110   2HD2  LEU  75          HD21      LEU  75 -10.605  -2.324   5.060
  111   3HD2  LEU  75          HD23      LEU  75 -10.311  -3.612   6.229
  112    H    ILE  76           HN       ILE  76 -12.778  -3.709   1.553
  113    HA   ILE  76           HA       ILE  76 -10.132  -4.726   1.545
  114    HB   ILE  76           HB       ILE  76 -11.804  -4.282  -0.948
  115   1HG1  ILE  76          HG12      ILE  76 -11.950  -6.608   0.992
  116   2HG1  ILE  76          HG11      ILE  76 -13.148  -5.323   0.907
  117   1HG2  ILE  76          HG23      ILE  76  -9.325  -5.198  -0.865
  118   2HG2  ILE  76          HG22      ILE  76 -10.118  -6.685  -0.346
  119   3HG2  ILE  76          HG21      ILE  76 -10.525  -5.968  -1.905
  120   1HD1  ILE  76          HD12      ILE  76 -12.485  -6.597  -1.679
  121   2HD1  ILE  76          HD11      ILE  76 -13.328  -7.625  -0.521
  122   3HD1  ILE  76          HD13      ILE  76 -14.050  -6.102  -1.033
  123    H    ILE  77           HN       ILE  77 -11.517  -1.983  -0.292
  124    HA   ILE  77           HA       ILE  77  -9.109  -1.188  -1.586
  125    HB   ILE  77           HB       ILE  77 -11.428   0.506  -0.601
  126   1HG1  ILE  77          HG12      ILE  77 -11.968  -1.322  -2.235
  127   2HG1  ILE  77          HG11      ILE  77 -12.255   0.294  -2.880
  128   1HG2  ILE  77          HG23      ILE  77  -8.887   1.218  -1.793
  129   2HG2  ILE  77          HG22      ILE  77 -10.213   1.646  -2.874
  130   3HG2  ILE  77          HG21      ILE  77 -10.180   2.274  -1.227
  131   1HD1  ILE  77          HD13      ILE  77  -9.515  -0.629  -3.334
  132   2HD1  ILE  77          HD12      ILE  77 -10.719  -1.673  -4.090
  133   3HD1  ILE  77          HD11      ILE  77 -10.675   0.046  -4.479
  134    H    PHE  78           HN       PHE  78 -10.518  -0.198   1.521
  135    HA   PHE  78           HA       PHE  78  -8.506   1.622   2.320
  136   1HB   PHE  78           HB2      PHE  78 -10.461  -0.101   3.819
  137   2HB   PHE  78           HB1      PHE  78  -9.238   0.808   4.704
  138    HD1  PHE  78           HD2      PHE  78 -10.456   2.096   1.502
  139    HD2  PHE  78           HD1      PHE  78 -10.998   2.206   5.764
  140    HE1  PHE  78           HE2      PHE  78 -11.813   4.159   1.277
  141    HE2  PHE  78           HE1      PHE  78 -12.354   4.270   5.537
  142    HZ   PHE  78           HZ       PHE  78 -12.761   5.246   3.294
  143    H    GLY  79           HN       GLY  79  -8.721  -1.902   2.952
  144   1HA   GLY  79           HA2      GLY  79  -6.372  -2.106   4.513
  145   2HA   GLY  79           HA1      GLY  79  -7.010  -3.413   3.515
  146    H    VAL  80           HN       VAL  80  -6.725  -2.389   0.948
  147    HA   VAL  80           HA       VAL  80  -3.968  -2.834   0.401
  148    HB   VAL  80           HB       VAL  80  -6.054  -1.366  -1.242
  149   1HG1  VAL  80          HG11      VAL  80  -3.433  -1.120  -1.695
  150   2HG1  VAL  80          HG13      VAL  80  -3.658  -2.708  -2.430
  151   3HG1  VAL  80          HG12      VAL  80  -4.575  -1.323  -3.022
  152   1HG2  VAL  80          HG23      VAL  80  -6.110  -3.961  -0.481
  153   2HG2  VAL  80          HG22      VAL  80  -6.686  -3.423  -2.059
  154   3HG2  VAL  80          HG21      VAL  80  -5.067  -4.101  -1.897
  155    H    MET  81           HN       MET  81  -5.810   0.207   0.632
  156    HA   MET  81           HA       MET  81  -3.660   2.000   0.152
  157   1HB   MET  81           HB2      MET  81  -5.957   2.452   2.080
  158   2HB   MET  81           HB1      MET  81  -5.030   3.682   1.221
  159   1HG   MET  81           HG2      MET  81  -6.000   1.881  -0.744
  160   2HG   MET  81           HG1      MET  81  -7.355   2.241   0.326
  161   1HE   MET  81           HE3      MET  81  -7.115   2.946  -2.753
  162   2HE   MET  81           HE2      MET  81  -6.439   4.520  -3.164
  163   3HE   MET  81           HE1      MET  81  -5.373   3.227  -2.623
  164    H    ALA  82           HN       ALA  82  -4.862   0.611   3.201
  165    HA   ALA  82           HA       ALA  82  -3.044   1.888   4.945
  166   1HB   ALA  82           HB1      ALA  82  -4.841  -0.429   5.085
  167   2HB   ALA  82           HB3      ALA  82  -3.399  -0.616   6.088
  168   3HB   ALA  82           HB2      ALA  82  -4.457   0.775   6.313
  169    H    GLY  83           HN       GLY  83  -2.669  -1.224   3.174
  170   1HA   GLY  83           HA2      GLY  83  -0.136  -1.902   4.238
  171   2HA   GLY  83           HA1      GLY  83  -0.695  -2.368   2.629
  172    H    VAL  84           HN       VAL  84  -0.936   0.090   1.359
  173    HA   VAL  84           HA       VAL  84   1.744   0.675   0.611
  174    HB   VAL  84           HB       VAL  84  -0.802   2.295   0.371
  175   1HG1  VAL  84          HG13      VAL  84   2.027   2.959  -0.360
  176   2HG1  VAL  84          HG12      VAL  84   0.736   3.459  -1.453
  177   3HG1  VAL  84          HG11      VAL  84   0.743   4.021   0.220
  178   1HG2  VAL  84          HG23      VAL  84  -0.060   0.041  -0.931
  179   2HG2  VAL  84          HG22      VAL  84  -1.028   1.307  -1.687
  180   3HG2  VAL  84          HG21      VAL  84   0.714   1.245  -1.961
  181    H    ILE  85           HN       ILE  85  -0.431   2.421   2.847
  182    HA   ILE  85           HA       ILE  85   1.360   4.481   3.596
  183    HB   ILE  85           HB       ILE  85  -0.774   3.084   5.237
  184   1HG1  ILE  85          HG12      ILE  85  -0.743   5.564   3.493
  185   2HG1  ILE  85          HG11      ILE  85  -1.719   4.111   3.270
  186   1HG2  ILE  85          HG21      ILE  85   1.221   4.757   6.175
  187   2HG2  ILE  85          HG23      ILE  85  -0.109   5.873   5.861
  188   3HG2  ILE  85          HG22      ILE  85  -0.343   4.505   6.950
  189   1HD1  ILE  85          HD11      ILE  85  -2.341   4.904   5.857
  190   2HD1  ILE  85          HD13      ILE  85  -2.211   6.430   4.984
  191   3HD1  ILE  85          HD12      ILE  85  -3.334   5.191   4.427
  192    H    GLY  86           HN       GLY  86   0.892   1.246   5.060
  193   1HA   GLY  86           HA2      GLY  86   2.758   1.516   7.164
  194   2HA   GLY  86           HA1      GLY  86   2.347  -0.019   6.397
  195    H    THR  87           HN       THR  87   3.300   0.354   3.814
  196    HA   THR  87           HA       THR  87   6.076  -0.174   4.090
  197    HB   THR  87           HB       THR  87   4.460   0.798   1.716
  198    HG1  THR  87           HG1      THR  87   4.137  -1.337   2.649
  199   1HG2  THR  87          HG22      THR  87   7.363   0.490   2.069
  200   2HG2  THR  87          HG21      THR  87   6.714  -0.409   0.697
  201   3HG2  THR  87          HG23      THR  87   6.466   1.334   0.806
  202    H    ILE  88           HN       ILE  88   4.391   2.828   3.153
  203    HA   ILE  88           HA       ILE  88   6.685   4.464   2.816
  204    HB   ILE  88           HB       ILE  88   3.953   5.233   3.889
  205   1HG1  ILE  88          HG12      ILE  88   5.048   5.388   1.065
  206   2HG1  ILE  88          HG11      ILE  88   4.006   4.087   1.642
  207   1HG2  ILE  88          HG21      ILE  88   6.280   6.750   3.818
  208   2HG2  ILE  88          HG23      ILE  88   5.453   7.200   2.327
  209   3HG2  ILE  88          HG22      ILE  88   4.637   7.388   3.878
  210   1HD1  ILE  88          HD12      ILE  88   2.377   5.945   2.363
  211   2HD1  ILE  88          HD11      ILE  88   3.345   7.020   1.355
  212   3HD1  ILE  88          HD13      ILE  88   2.520   5.640   0.632
  213    H    LEU  89           HN       LEU  89   4.728   3.833   5.728
  214    HA   LEU  89           HA       LEU  89   6.166   5.501   7.498
  215   1HB   LEU  89           HB2      LEU  89   4.729   4.677   9.039
  216   2HB   LEU  89           HB1      LEU  89   4.011   3.777   7.710
  217    HG   LEU  89           HG       LEU  89   5.718   1.935   8.234
  218   1HD1  LEU  89          HD11      LEU  89   6.844   3.829   9.845
  219   2HD1  LEU  89          HD13      LEU  89   5.856   2.951  11.012
  220   3HD1  LEU  89          HD12      LEU  89   7.074   2.095  10.069
  221   1HD2  LEU  89          HD21      LEU  89   3.178   2.428   9.171
  222   2HD2  LEU  89          HD23      LEU  89   4.065   0.924   9.421
  223   3HD2  LEU  89          HD22      LEU  89   4.076   2.173  10.667
  224    H    LEU  90           HN       LEU  90   6.740   2.066   6.676
  225    HA   LEU  90           HA       LEU  90   8.956   1.648   8.408
  226   1HB   LEU  90           HB2      LEU  90   7.993   0.417   5.870
  227   2HB   LEU  90           HB1      LEU  90   9.687   0.151   6.275
  228    HG   LEU  90           HG       LEU  90   8.198  -1.620   7.199
  229   1HD1  LEU  90          HD12      LEU  90  10.352  -0.559   8.341
  230   2HD1  LEU  90          HD11      LEU  90   9.180  -0.072   9.565
  231   3HD1  LEU  90          HD13      LEU  90   9.393  -1.780   9.177
  232   1HD2  LEU  90          HD21      LEU  90   6.274   0.008   7.576
  233   2HD2  LEU  90          HD23      LEU  90   6.590  -1.108   8.904
  234   3HD2  LEU  90          HD22      LEU  90   7.138   0.564   9.009
  235    H    ILE  91           HN       ILE  91   8.890   2.868   5.047
  236    HA   ILE  91           HA       ILE  91  11.687   3.245   4.743
  237    HB   ILE  91           HB       ILE  91   9.461   4.978   3.624
  238   1HG1  ILE  91          HG12      ILE  91  10.738   2.417   2.616
  239   2HG1  ILE  91          HG11      ILE  91   9.049   2.648   3.072
  240   1HG2  ILE  91          HG22      ILE  91  12.318   5.099   3.426
  241   2HG2  ILE  91          HG21      ILE  91  11.668   4.625   1.856
  242   3HG2  ILE  91          HG23      ILE  91  11.123   6.117   2.622
  243   1HD1  ILE  91          HD11      ILE  91   8.838   4.352   1.257
  244   2HD1  ILE  91          HD13      ILE  91  10.488   3.981   0.760
  245   3HD1  ILE  91          HD12      ILE  91   9.235   2.747   0.644
  246    H    SER  92           HN       SER  92   9.215   5.504   6.007
  247    HA   SER  92           HA       SER  92  10.969   7.673   6.512
  248   1HB   SER  92           HB2      SER  92   8.286   6.895   7.283
  249   2HB   SER  92           HB1      SER  92   9.133   7.601   8.656
  250    HG   SER  92           HG       SER  92   8.235   8.756   6.346
  251    H    TYR  93           HN       TYR  93  10.060   4.925   8.616
  252    HA   TYR  93           HA       TYR  93  11.672   5.639  10.842
  253   1HB   TYR  93           HB2      TYR  93   9.966   3.656  10.484
  254   2HB   TYR  93           HB1      TYR  93  11.407   2.768   9.995
  255    HD1  TYR  93           HD1      TYR  93  12.950   4.896  12.040
  256    HD2  TYR  93           HD2      TYR  93   9.942   1.844  12.334
  257    HE1  TYR  93           HE1      TYR  93  13.543   4.541  14.421
  258    HE2  TYR  93           HE2      TYR  93  10.534   1.491  14.715
  259    HH   TYR  93           HH       TYR  93  13.132   2.168  16.080
  260    H    GLY  94           HN       GLY  94  12.474   3.628   7.989
  261   1HA   GLY  94           HA2      GLY  94  15.159   3.049   8.692
  262   2HA   GLY  94           HA1      GLY  94  14.557   3.129   7.035
  263    H    ILE  95           HN       ILE  95  13.818   5.768   6.808
  264    HA   ILE  95           HA       ILE  95  16.277   7.078   6.262
  265    HB   ILE  95           HB       ILE  95  13.433   8.026   6.541
  266   1HG1  ILE  95          HG12      ILE  95  14.925   8.768   4.162
  267   2HG1  ILE  95          HG11      ILE  95  15.053   7.035   4.465
  268   1HG2  ILE  95          HG22      ILE  95  15.885   9.691   6.690
  269   2HG2  ILE  95          HG21      ILE  95  14.668  10.229   5.533
  270   3HG2  ILE  95          HG23      ILE  95  14.247  10.048   7.237
  271   1HD1  ILE  95          HD11      ILE  95  12.542   6.991   4.744
  272   2HD1  ILE  95          HD13      ILE  95  12.513   8.665   4.194
  273   3HD1  ILE  95          HD12      ILE  95  13.083   7.392   3.115
  274    H    ARG  96           HN       ARG  96  14.080   7.468   9.057
  275    HA   ARG  96           HA       ARG  96  15.573   9.460  10.414
  276   1HB   ARG  96           HB2      ARG  96  13.349   8.817  11.180
  277   2HB   ARG  96           HB1      ARG  96  13.917   7.188  11.552
  278   1HG   ARG  96           HG2      ARG  96  14.822   7.836  13.523
  279   2HG   ARG  96           HG1      ARG  96  15.534   9.285  12.812
  280   1HD   ARG  96           HD2      ARG  96  13.816   9.840  14.518
  281   2HD   ARG  96           HD1      ARG  96  13.371  10.432  12.918
  282    HE   ARG  96           HE       ARG  96  12.178   7.935  13.054
  283   1HH1  ARG  96          HH11      ARG  96  10.932  10.813  13.251
  284   2HH1  ARG  96          HH12      ARG  96   9.895  10.581  14.620
  285   1HH2  ARG  96          HH21      ARG  96  11.390   7.603  15.580
  286   2HH2  ARG  96          HH22      ARG  96  10.154   8.763  15.938
  287    H    ARG  97           HN       ARG  97  15.818   5.904  10.644
  288    HA   ARG  97           HA       ARG  97  17.901   5.845  12.565
  289   1HB   ARG  97           HB2      ARG  97  16.502   3.914  11.261
  290   2HB   ARG  97           HB1      ARG  97  18.043   3.809  10.408
  291   1HG   ARG  97           HG2      ARG  97  19.237   3.488  12.498
  292   2HG   ARG  97           HG1      ARG  97  17.762   3.760  13.425
  293   1HD   ARG  97           HD2      ARG  97  18.185   1.495  11.452
  294   2HD   ARG  97           HD1      ARG  97  18.268   1.342  13.207
  295    HE   ARG  97           HE       ARG  97  15.768   2.453  12.753
  296   1HH1  ARG  97          HH11      ARG  97  17.314  -0.537  12.734
  297   2HH1  ARG  97          HH12      ARG  97  16.000  -1.404  12.013
  298   1HH2  ARG  97          HH21      ARG  97  14.137   1.442  11.339
  299   2HH2  ARG  97          HH22      ARG  97  14.202  -0.284  11.224
  300    H    LEU  98           HN       LEU  98  18.109   5.934   9.008
  301    HA   LEU  98           HA       LEU  98  20.925   5.848   8.785
  302   1HB   LEU  98           HB2      LEU  98  18.762   7.078   7.086
  303   2HB   LEU  98           HB1      LEU  98  20.462   7.259   6.649
  304    HG   LEU  98           HG       LEU  98  19.426   4.529   7.332
  305   1HD1  LEU  98          HD13      LEU  98  17.989   5.895   5.541
  306   2HD1  LEU  98          HD12      LEU  98  19.328   5.440   4.486
  307   3HD1  LEU  98          HD11      LEU  98  18.381   4.192   5.299
  308   1HD2  LEU  98          HD22      LEU  98  21.840   4.928   6.953
  309   2HD2  LEU  98          HD21      LEU  98  21.164   3.885   5.702
  310   3HD2  LEU  98          HD23      LEU  98  21.478   5.585   5.358
  311    H    ILE  99           HN       ILE  99  18.799   8.712   9.110
  312    HA   ILE  99           HA       ILE  99  21.062  10.538   9.161
  313    HB   ILE  99           HB       ILE  99  19.396  12.252   9.692
  314   1HG1  ILE  99          HG12      ILE  99  17.082  10.449   9.617
  315   2HG1  ILE  99          HG11      ILE  99  18.101  10.201  11.033
  316   1HG2  ILE  99          HG22      ILE  99  19.611  11.192   7.356
  317   2HG2  ILE  99          HG21      ILE  99  18.116  10.336   7.738
  318   3HG2  ILE  99          HG23      ILE  99  18.135  12.099   7.686
  319   1HD1  ILE  99          HD11      ILE  99  18.009  12.937  10.907
  320   2HD1  ILE  99          HD13      ILE  99  16.400  12.503  10.329
  321   3HD1  ILE  99          HD12      ILE  99  16.948  11.951  11.911
  322    H    LYS 100           HN       LYS 100  19.239   8.774  11.588
  323    HA   LYS 100           HA       LYS 100  21.125   9.831  13.630
  324   1HB   LYS 100           HB2      LYS 100  18.142  10.088  13.636
  325   2HB   LYS 100           HB1      LYS 100  18.962   9.798  15.172
  326   1HG   LYS 100           HG2      LYS 100  20.395  11.802  13.670
  327   2HG   LYS 100           HG1      LYS 100  18.699  12.264  13.815
  328   1HD   LYS 100           HD2      LYS 100  18.808  11.909  16.255
  329   2HD   LYS 100           HD1      LYS 100  20.506  11.453  16.113
  330   1HE   LYS 100           HE2      LYS 100  20.306  13.898  14.755
  331   2HE   LYS 100           HE1      LYS 100  19.325  14.106  16.205
  332   1HZ   LYS 100           HZ3      LYS 100  21.278  13.092  17.429
  333   2HZ   LYS 100           HZ2      LYS 100  22.180  13.363  16.014
  334   3HZ   LYS 100           HZ1      LYS 100  21.483  14.671  16.844
  335    H    LYS 101           HN       LYS 101  21.550   8.344  15.308
  336    HA   LYS 101           HA       LYS 101  21.617   6.247  16.370
  337   1HB   LYS 101           HB2      LYS 101  18.887   6.519  15.424
  338   2HB   LYS 101           HB1      LYS 101  19.417   4.839  15.329
  339   1HG   LYS 101           HG2      LYS 101  18.719   4.885  17.530
  340   2HG   LYS 101           HG1      LYS 101  20.393   5.395  17.750
  341   1HD   LYS 101           HD2      LYS 101  19.734   7.733  17.772
  342   2HD   LYS 101           HD1      LYS 101  18.067   7.304  17.386
  343   1HE   LYS 101           HE2      LYS 101  18.079   7.652  19.738
  344   2HE   LYS 101           HE1      LYS 101  18.099   5.900  19.535
  345   1HZ   LYS 101           HZ3      LYS 101  20.677   6.323  19.550
  346   2HZ   LYS 101           HZ2      LYS 101  20.223   7.697  20.441
  347   3HZ   LYS 101           HZ1      LYS 101  19.806   6.144  20.994
  348   1H    VAL  62           HT1      VAL  62 -19.119 -13.157 -10.900
  349   2H    VAL  62           HT3      VAL  62 -18.472 -11.879  -9.993
  350   3H    VAL  62           HT2      VAL  62 -17.586 -12.534 -11.286
  351    HA   VAL  62           HA       VAL  62 -16.539 -13.689  -9.691
  352    HB   VAL  62           HB       VAL  62 -17.844 -14.255  -7.514
  353   1HG1  VAL  62          HG12      VAL  62 -16.886 -11.577  -8.462
  354   2HG1  VAL  62          HG11      VAL  62 -17.637 -11.695  -6.870
  355   3HG1  VAL  62          HG13      VAL  62 -16.195 -12.642  -7.236
  356   1HG2  VAL  62          HG22      VAL  62 -19.915 -13.111  -9.058
  357   2HG2  VAL  62          HG21      VAL  62 -19.983 -13.556  -7.352
  358   3HG2  VAL  62          HG23      VAL  62 -19.525 -11.918  -7.819
  359    H    GLN  63           HN       GLN  63 -16.715 -15.979  -8.773
  360    HA   GLN  63           HA       GLN  63 -18.980 -17.576  -9.743
  361   1HB   GLN  63           HB2      GLN  63 -17.602 -19.014 -11.191
  362   2HB   GLN  63           HB1      GLN  63 -17.577 -17.349 -11.771
  363   1HG   GLN  63           HG2      GLN  63 -15.476 -17.606  -9.871
  364   2HG   GLN  63           HG1      GLN  63 -15.363 -18.986 -10.965
  365   1HE2  GLN  63          HE22      GLN  63 -14.608 -15.224 -12.368
  366   2HE2  GLN  63          HE21      GLN  63 -15.227 -15.447 -10.803
  367    H    LEU  64           HN       LEU  64 -18.836 -19.812  -8.959
  368    HA   LEU  64           HA       LEU  64 -17.216 -19.966  -6.480
  369   1HB   LEU  64           HB2      LEU  64 -19.769 -21.066  -7.405
  370   2HB   LEU  64           HB1      LEU  64 -18.746 -22.277  -6.627
  371    HG   LEU  64           HG       LEU  64 -20.168 -21.146  -4.963
  372   1HD1  LEU  64          HD11      LEU  64 -17.411 -21.523  -4.830
  373   2HD1  LEU  64          HD13      LEU  64 -17.641 -19.886  -4.213
  374   3HD1  LEU  64          HD12      LEU  64 -18.483 -21.240  -3.460
  375   1HD2  LEU  64          HD21      LEU  64 -19.138 -18.770  -6.398
  376   2HD2  LEU  64          HD23      LEU  64 -20.665 -18.995  -5.546
  377   3HD2  LEU  64          HD22      LEU  64 -19.198 -18.615  -4.642
  378    H    ALA  65           HN       ALA  65 -16.592 -20.633  -9.573
  379    HA   ALA  65           HA       ALA  65 -15.356 -23.291  -9.031
  380   1HB   ALA  65           HB2      ALA  65 -16.412 -21.937 -11.445
  381   2HB   ALA  65           HB1      ALA  65 -14.929 -22.862 -11.685
  382   3HB   ALA  65           HB3      ALA  65 -16.368 -23.654 -11.046
  383    H    HIS  66           HN       HIS  66 -14.505 -20.196  -8.645
  384    HA   HIS  66           HA       HIS  66 -11.729 -20.631  -9.674
  385   1HB   HIS  66           HB2      HIS  66 -13.497 -18.436 -10.018
  386   2HB   HIS  66           HB1      HIS  66 -12.215 -17.894  -8.934
  387    HD1  HIS  66           HD1      HIS  66 -10.087 -19.952 -10.288
  388    HD2  HIS  66           HD2      HIS  66 -12.331 -17.021 -12.226
  389    HE1  HIS  66           HE1      HIS  66  -8.852 -19.404 -12.430
  390    H    HIS  67           HN       HIS  67 -10.049 -19.484  -8.260
  391    HA   HIS  67           HA       HIS  67 -10.602 -20.192  -5.442
  392   1HB   HIS  67           HB2      HIS  67  -8.151 -19.829  -5.151
  393   2HB   HIS  67           HB1      HIS  67  -8.513 -21.006  -6.414
  394    HD1  HIS  67           HD1      HIS  67  -7.741 -20.471  -8.765
  395    HD2  HIS  67           HD2      HIS  67  -7.404 -17.197  -6.205
  396    HE1  HIS  67           HE1      HIS  67  -6.492 -18.682 -10.050
  397    H    PHE  68           HN       PHE  68 -11.248 -17.553  -7.176
  398    HA   PHE  68           HA       PHE  68 -10.029 -15.498  -5.487
  399   1HB   PHE  68           HB2      PHE  68 -12.049 -15.478  -7.726
  400   2HB   PHE  68           HB1      PHE  68 -11.736 -14.027  -6.772
  401    HD1  PHE  68           HD2      PHE  68  -9.497 -12.973  -6.770
  402    HD2  PHE  68           HD1      PHE  68 -10.397 -16.354  -9.263
  403    HE1  PHE  68           HE2      PHE  68  -7.458 -12.529  -8.111
  404    HE2  PHE  68           HE1      PHE  68  -8.358 -15.909 -10.603
  405    HZ   PHE  68           HZ       PHE  68  -6.888 -13.996 -10.027
  406    H    SER  69           HN       SER  69 -12.461 -17.668  -4.938
  407    HA   SER  69           HA       SER  69 -14.269 -15.801  -3.534
  408   1HB   SER  69           HB2      SER  69 -14.677 -18.675  -3.096
  409   2HB   SER  69           HB1      SER  69 -15.807 -17.458  -3.684
  410    HG   SER  69           HG       SER  69 -15.233 -17.884  -5.690
  411    H    GLU  70           HN       GLU  70 -11.543 -15.970  -2.567
  412    HA   GLU  70           HA       GLU  70 -11.323 -17.706  -0.298
  413   1HB   GLU  70           HB2      GLU  70  -9.790 -15.580  -1.502
  414   2HB   GLU  70           HB1      GLU  70  -9.862 -15.342   0.244
  415   1HG   GLU  70           HG2      GLU  70  -8.099 -16.807   0.209
  416   2HG   GLU  70           HG1      GLU  70  -9.399 -17.999   0.187
  417    HA   PRO  71           HA       PRO  71 -13.685 -15.906   2.894
  418   1HB   PRO  71           HB2      PRO  71 -11.519 -15.458   4.751
  419   2HB   PRO  71           HB1      PRO  71 -12.712 -16.763   4.755
  420   1HG   PRO  71           HG2      PRO  71  -9.930 -16.955   4.070
  421   2HG   PRO  71           HG1      PRO  71 -11.143 -18.238   4.010
  422   1HD   PRO  71           HD2      PRO  71  -9.909 -16.859   1.791
  423   2HD   PRO  71           HD1      PRO  71 -11.101 -18.173   1.736
  424    H    GLU  72           HN       GLU  72 -14.096 -13.867   4.040
  425    HA   GLU  72           HA       GLU  72 -13.387 -11.538   2.592
  426   1HB   GLU  72           HB2      GLU  72 -14.593 -12.049   5.289
  427   2HB   GLU  72           HB1      GLU  72 -14.104 -10.406   4.871
  428   1HG   GLU  72           HG2      GLU  72 -16.087 -10.213   3.809
  429   2HG   GLU  72           HG1      GLU  72 -15.434 -11.313   2.593
  430    H    ILE  73           HN       ILE  73 -12.440 -12.046   6.004
  431    HA   ILE  73           HA       ILE  73 -10.437 -10.191   6.216
  432    HB   ILE  73           HB       ILE  73 -11.246 -11.894   7.961
  433   1HG1  ILE  73          HG12      ILE  73  -8.573 -11.996   8.679
  434   2HG1  ILE  73          HG11      ILE  73  -8.645 -10.621   7.576
  435   1HG2  ILE  73          HG22      ILE  73 -10.607 -13.872   6.506
  436   2HG2  ILE  73          HG21      ILE  73  -8.922 -13.492   6.855
  437   3HG2  ILE  73          HG23      ILE  73 -10.012 -13.951   8.164
  438   1HD1  ILE  73          HD12      ILE  73 -10.882 -10.171   9.046
  439   2HD1  ILE  73          HD11      ILE  73  -9.866 -10.956  10.256
  440   3HD1  ILE  73          HD13      ILE  73  -9.305  -9.490   9.449
  441    H    THR  74           HN       THR  74 -10.077 -13.431   4.762
  442    HA   THR  74           HA       THR  74  -7.286 -13.299   4.274
  443    HB   THR  74           HB       THR  74  -9.532 -14.686   2.799
  444    HG1  THR  74           HG1      THR  74  -7.390 -15.603   4.414
  445   1HG2  THR  74          HG22      THR  74  -6.753 -14.246   1.975
  446   2HG2  THR  74          HG21      THR  74  -7.193 -15.952   2.051
  447   3HG2  THR  74          HG23      THR  74  -8.120 -14.846   1.038
  448    H    LEU  75           HN       LEU  75 -10.012 -12.252   2.210
  449    HA   LEU  75           HA       LEU  75  -8.284 -11.245   0.134
  450   1HB   LEU  75           HB2      LEU  75 -10.275 -11.282  -0.919
  451   2HB   LEU  75           HB1      LEU  75 -11.150 -11.379   0.601
  452    HG   LEU  75           HG       LEU  75 -10.029  -8.750  -0.381
  453   1HD1  LEU  75          HD12      LEU  75 -11.720 -10.103  -1.961
  454   2HD1  LEU  75          HD11      LEU  75 -12.900  -9.455  -0.820
  455   3HD1  LEU  75          HD13      LEU  75 -11.862  -8.357  -1.733
  456   1HD2  LEU  75          HD21      LEU  75 -11.538  -9.690   1.887
  457   2HD2  LEU  75          HD23      LEU  75 -10.945  -8.061   1.565
  458   3HD2  LEU  75          HD22      LEU  75 -12.525  -8.559   0.963
  459    H    ILE  76           HN       ILE  76  -9.929  -9.595   2.870
  460    HA   ILE  76           HA       ILE  76  -9.004  -6.986   2.239
  461    HB   ILE  76           HB       ILE  76  -9.363  -8.205   4.999
  462   1HG1  ILE  76          HG12      ILE  76 -11.324  -6.596   3.338
  463   2HG1  ILE  76          HG11      ILE  76 -11.344  -8.358   3.433
  464   1HG2  ILE  76          HG23      ILE  76  -8.910  -5.434   3.963
  465   2HG2  ILE  76          HG22      ILE  76  -9.990  -5.643   5.341
  466   3HG2  ILE  76          HG21      ILE  76  -8.316  -6.188   5.442
  467   1HD1  ILE  76          HD13      ILE  76 -11.207  -7.070   6.063
  468   2HD1  ILE  76          HD12      ILE  76 -12.667  -6.656   5.164
  469   3HD1  ILE  76          HD11      ILE  76 -12.282  -8.346   5.492
  470    H    ILE  77           HN       ILE  77  -7.486  -9.540   4.222
  471    HA   ILE  77           HA       ILE  77  -5.093  -8.131   4.842
  472    HB   ILE  77           HB       ILE  77  -5.581 -11.092   4.381
  473   1HG1  ILE  77          HG12      ILE  77  -5.211  -9.524   6.952
  474   2HG1  ILE  77          HG11      ILE  77  -6.788  -9.935   6.276
  475   1HG2  ILE  77          HG22      ILE  77  -3.112  -9.697   4.548
  476   2HG2  ILE  77          HG21      ILE  77  -3.345 -10.509   6.097
  477   3HG2  ILE  77          HG23      ILE  77  -3.368 -11.441   4.600
  478   1HD1  ILE  77          HD13      ILE  77  -5.848 -12.376   6.230
  479   2HD1  ILE  77          HD12      ILE  77  -4.685 -11.764   7.406
  480   3HD1  ILE  77          HD11      ILE  77  -6.411 -11.707   7.762
  481    H    PHE  78           HN       PHE  78  -5.905 -10.257   2.110
  482    HA   PHE  78           HA       PHE  78  -3.431 -10.112   0.741
  483   1HB   PHE  78           HB2      PHE  78  -6.185 -10.877   0.062
  484   2HB   PHE  78           HB1      PHE  78  -5.292 -10.207  -1.301
  485    HD1  PHE  78           HD2      PHE  78  -3.178 -11.243  -2.062
  486    HD2  PHE  78           HD1      PHE  78  -5.542 -12.979   1.078
  487    HE1  PHE  78           HE2      PHE  78  -1.927 -13.372  -2.296
  488    HE2  PHE  78           HE1      PHE  78  -4.290 -15.107   0.843
  489    HZ   PHE  78           HZ       PHE  78  -2.483 -15.304  -0.844
  490    H    GLY  79           HN       GLY  79  -6.305  -7.987   0.418
  491   1HA   GLY  79           HA2      GLY  79  -5.255  -6.312  -1.611
  492   2HA   GLY  79           HA1      GLY  79  -6.430  -5.785  -0.403
  493    H    VAL  80           HN       VAL  80  -4.988  -6.000   1.951
  494    HA   VAL  80           HA       VAL  80  -3.420  -3.628   1.967
  495    HB   VAL  80           HB       VAL  80  -3.349  -5.997   3.864
  496   1HG1  VAL  80          HG12      VAL  80  -1.676  -3.686   3.698
  497   2HG1  VAL  80          HG11      VAL  80  -2.726  -3.495   5.102
  498   3HG1  VAL  80          HG13      VAL  80  -1.701  -4.922   4.956
  499   1HG2  VAL  80          HG21      VAL  80  -5.488  -4.445   3.343
  500   2HG2  VAL  80          HG23      VAL  80  -5.133  -5.035   4.967
  501   3HG2  VAL  80          HG22      VAL  80  -4.672  -3.397   4.503
  502    H    MET  81           HN       MET  81  -2.421  -7.051   1.863
  503    HA   MET  81           HA       MET  81   0.386  -6.627   1.745
  504   1HB   MET  81           HB2      MET  81  -1.357  -8.803   0.550
  505   2HB   MET  81           HB1      MET  81   0.407  -8.853   0.523
  506   1HG   MET  81           HG2      MET  81  -0.245  -8.230   3.176
  507   2HG   MET  81           HG1      MET  81  -1.410  -9.468   2.706
  508   1HE   MET  81           HE1      MET  81  -1.147 -11.458   1.947
  509   2HE   MET  81           HE3      MET  81   0.269 -12.518   1.926
  510   3HE   MET  81           HE2      MET  81  -0.505 -12.107   3.454
  511    H    ALA  82           HN       ALA  82  -2.037  -6.869  -0.840
  512    HA   ALA  82           HA       ALA  82  -0.305  -6.534  -3.045
  513   1HB   ALA  82           HB2      ALA  82  -3.182  -6.404  -2.575
  514   2HB   ALA  82           HB1      ALA  82  -2.663  -5.217  -3.776
  515   3HB   ALA  82           HB3      ALA  82  -2.304  -6.925  -4.010
  516    H    GLY  83           HN       GLY  83  -1.990  -4.029  -1.084
  517   1HA   GLY  83           HA2      GLY  83  -1.100  -1.792  -2.575
  518   2HA   GLY  83           HA1      GLY  83  -1.451  -1.757  -0.844
  519    H    VAL  84           HN       VAL  84   0.467  -3.474   0.180
  520    HA   VAL  84           HA       VAL  84   2.795  -1.844   0.289
  521    HB   VAL  84           HB       VAL  84   2.505  -4.823   0.799
  522   1HG1  VAL  84          HG11      VAL  84   4.833  -3.125   0.708
  523   2HG1  VAL  84          HG13      VAL  84   4.565  -3.671   2.364
  524   3HG1  VAL  84          HG12      VAL  84   4.739  -4.850   1.064
  525   1HG2  VAL  84          HG22      VAL  84   1.634  -2.474   2.216
  526   2HG2  VAL  84          HG21      VAL  84   1.419  -4.166   2.661
  527   3HG2  VAL  84          HG23      VAL  84   2.869  -3.298   3.167
  528    H    ILE  85           HN       ILE  85   2.149  -4.802  -1.605
  529    HA   ILE  85           HA       ILE  85   4.637  -4.963  -2.940
  530    HB   ILE  85           HB       ILE  85   1.842  -5.783  -3.751
  531   1HG1  ILE  85          HG12      ILE  85   3.938  -7.801  -3.431
  532   2HG1  ILE  85          HG11      ILE  85   3.707  -6.837  -1.971
  533   1HG2  ILE  85          HG22      ILE  85   4.463  -6.290  -5.197
  534   2HG2  ILE  85          HG21      ILE  85   2.934  -7.085  -5.572
  535   3HG2  ILE  85          HG23      ILE  85   3.105  -5.345  -5.807
  536   1HD1  ILE  85          HD13      ILE  85   1.224  -7.724  -3.328
  537   2HD1  ILE  85          HD12      ILE  85   2.185  -9.000  -2.582
  538   3HD1  ILE  85          HD11      ILE  85   1.604  -7.650  -1.607
  539    H    GLY  86           HN       GLY  86   1.657  -3.228  -3.914
  540   1HA   GLY  86           HA2      GLY  86   2.603  -2.231  -6.384
  541   2HA   GLY  86           HA1      GLY  86   1.397  -1.416  -5.385
  542    H    THR  87           HN       THR  87   2.863  -0.803  -3.119
  543    HA   THR  87           HA       THR  87   4.234   1.562  -3.867
  544    HB   THR  87           HB       THR  87   4.742  -0.048  -1.349
  545    HG1  THR  87           HG1      THR  87   2.538   0.235  -1.596
  546   1HG2  THR  87          HG23      THR  87   5.104   2.824  -2.177
  547   2HG2  THR  87          HG22      THR  87   4.901   2.396  -0.478
  548   3HG2  THR  87          HG21      THR  87   6.260   1.746  -1.395
  549    H    ILE  88           HN       ILE  88   5.543  -1.656  -2.999
  550    HA   ILE  88           HA       ILE  88   8.291  -1.014  -3.263
  551    HB   ILE  88           HB       ILE  88   6.804  -3.595  -3.811
  552   1HG1  ILE  88          HG12      ILE  88   8.447  -2.565  -1.476
  553   2HG1  ILE  88          HG11      ILE  88   6.704  -2.837  -1.493
  554   1HG2  ILE  88          HG21      ILE  88   8.944  -3.557  -5.044
  555   2HG2  ILE  88          HG23      ILE  88   9.789  -3.109  -3.562
  556   3HG2  ILE  88          HG22      ILE  88   9.014  -4.688  -3.693
  557   1HD1  ILE  88          HD11      ILE  88   8.616  -5.076  -2.133
  558   2HD1  ILE  88          HD13      ILE  88   8.218  -4.680  -0.461
  559   3HD1  ILE  88          HD12      ILE  88   6.945  -5.179  -1.576
  560    H    LEU  89           HN       LEU  89   6.023  -2.219  -5.763
  561    HA   LEU  89           HA       LEU  89   7.909  -2.283  -7.892
  562   1HB   LEU  89           HB2      LEU  89   5.178  -1.346  -8.631
  563   2HB   LEU  89           HB1      LEU  89   6.152  -2.637  -9.322
  564    HG   LEU  89           HG       LEU  89   4.477  -2.719  -6.815
  565   1HD1  LEU  89          HD11      LEU  89   4.159  -3.553  -9.539
  566   2HD1  LEU  89          HD13      LEU  89   4.229  -4.989  -8.516
  567   3HD1  LEU  89          HD12      LEU  89   3.028  -3.738  -8.198
  568   1HD2  LEU  89          HD22      LEU  89   6.944  -4.173  -7.504
  569   2HD2  LEU  89          HD21      LEU  89   6.119  -4.056  -5.952
  570   3HD2  LEU  89          HD23      LEU  89   5.586  -5.238  -7.144
  571    H    LEU  90           HN       LEU  90   5.787   0.357  -6.768
  572    HA   LEU  90           HA       LEU  90   6.590   2.298  -8.689
  573   1HB   LEU  90           HB2      LEU  90   4.724   2.669  -7.111
  574   2HB   LEU  90           HB1      LEU  90   5.869   2.734  -5.769
  575    HG   LEU  90           HG       LEU  90   6.921   4.713  -6.676
  576   1HD1  LEU  90          HD11      LEU  90   5.193   4.084  -9.067
  577   2HD1  LEU  90          HD13      LEU  90   5.802   5.717  -8.795
  578   3HD1  LEU  90          HD12      LEU  90   6.931   4.380  -9.012
  579   1HD2  LEU  90          HD21      LEU  90   3.893   4.881  -6.794
  580   2HD2  LEU  90          HD23      LEU  90   4.904   5.139  -5.373
  581   3HD2  LEU  90          HD22      LEU  90   4.965   6.279  -6.716
  582    H    ILE  91           HN       ILE  91   7.991   1.540  -5.488
  583    HA   ILE  91           HA       ILE  91  10.075   3.466  -5.539
  584    HB   ILE  91           HB       ILE  91   9.988   0.691  -4.316
  585   1HG1  ILE  91          HG12      ILE  91   9.659   3.456  -3.104
  586   2HG1  ILE  91          HG11      ILE  91   8.330   2.359  -3.481
  587   1HG2  ILE  91          HG22      ILE  91  11.983   2.948  -3.966
  588   2HG2  ILE  91          HG21      ILE  91  11.876   1.549  -2.898
  589   3HG2  ILE  91          HG23      ILE  91  12.313   1.333  -4.592
  590   1HD1  ILE  91          HD13      ILE  91   9.618   0.645  -2.013
  591   2HD1  ILE  91          HD12      ILE  91  10.492   2.050  -1.403
  592   3HD1  ILE  91          HD11      ILE  91   8.743   1.942  -1.198
  593    H    SER  92           HN       SER  92  10.065   0.090  -6.738
  594    HA   SER  92           HA       SER  92  12.746   0.070  -7.666
  595   1HB   SER  92           HB2      SER  92  12.079  -1.762  -9.100
  596   2HB   SER  92           HB1      SER  92  11.180  -1.914  -7.593
  597    HG   SER  92           HG       SER  92   9.539  -1.963  -8.927
  598    H    TYR  93           HN       TYR  93   9.741   1.033  -9.351
  599    HA   TYR  93           HA       TYR  93  10.946   1.784 -11.810
  600   1HB   TYR  93           HB2      TYR  93   8.383   2.087 -10.544
  601   2HB   TYR  93           HB1      TYR  93   8.856   3.631 -11.254
  602    HD1  TYR  93           HD2      TYR  93   8.631  -0.023 -12.020
  603    HD2  TYR  93           HD1      TYR  93   8.662   3.981 -13.573
  604    HE1  TYR  93           HE2      TYR  93   8.084  -0.894 -14.277
  605    HE2  TYR  93           HE1      TYR  93   8.114   3.111 -15.831
  606    HH   TYR  93           HH       TYR  93   7.004   1.057 -16.788
  607    H    GLY  94           HN       GLY  94  10.312   3.748  -8.881
  608   1HA   GLY  94           HA2      GLY  94  11.388   6.186  -9.845
  609   2HA   GLY  94           HA1      GLY  94  11.347   5.719  -8.143
  610    H    ILE  95           HN       ILE  95  12.994   3.511  -8.096
  611    HA   ILE  95           HA       ILE  95  15.593   4.658  -8.029
  612    HB   ILE  95           HB       ILE  95  14.589   1.814  -8.044
  613   1HG1  ILE  95          HG12      ILE  95  16.369   2.551  -5.910
  614   2HG1  ILE  95          HG11      ILE  95  15.152   3.812  -6.096
  615   1HG2  ILE  95          HG21      ILE  95  17.489   2.709  -8.069
  616   2HG2  ILE  95          HG23      ILE  95  16.946   1.083  -7.656
  617   3HG2  ILE  95          HG22      ILE  95  16.693   1.711  -9.285
  618   1HD1  ILE  95          HD12      ILE  95  13.614   1.566  -6.337
  619   2HD1  ILE  95          HD11      ILE  95  14.845   1.013  -5.202
  620   3HD1  ILE  95          HD13      ILE  95  13.867   2.429  -4.820
  621    H    ARG  96           HN       ARG  96  14.095   2.572 -10.518
  622    HA   ARG  96           HA       ARG  96  16.313   2.451 -12.276
  623   1HB   ARG  96           HB2      ARG  96  13.332   2.343 -12.732
  624   2HB   ARG  96           HB1      ARG  96  14.461   2.260 -14.084
  625   1HG   ARG  96           HG2      ARG  96  15.557   0.471 -12.298
  626   2HG   ARG  96           HG1      ARG  96  13.826   0.233 -12.053
  627   1HD   ARG  96           HD2      ARG  96  15.328   0.072 -14.680
  628   2HD   ARG  96           HD1      ARG  96  14.547  -1.256 -13.824
  629    HE   ARG  96           HE       ARG  96  12.494   0.558 -14.249
  630   1HH1  ARG  96          HH11      ARG  96  13.005  -2.185 -15.627
  631   2HH1  ARG  96          HH12      ARG  96  12.836  -1.724 -17.287
  632   1HH2  ARG  96          HH21      ARG  96  13.075   1.674 -16.644
  633   2HH2  ARG  96          HH22      ARG  96  12.876   0.460 -17.864
  634    H    ARG  97           HN       ARG  97  13.651   4.845 -12.170
  635    HA   ARG  97           HA       ARG  97  14.542   6.394 -14.361
  636   1HB   ARG  97           HB2      ARG  97  12.348   6.673 -13.160
  637   2HB   ARG  97           HB1      ARG  97  13.227   7.473 -11.856
  638   1HG   ARG  97           HG2      ARG  97  13.691   9.346 -13.129
  639   2HG   ARG  97           HG1      ARG  97  13.667   8.449 -14.647
  640   1HD   ARG  97           HD2      ARG  97  11.160   8.149 -14.279
  641   2HD   ARG  97           HD1      ARG  97  11.301   9.346 -12.990
  642    HE   ARG  97           HE       ARG  97  12.493  10.580 -15.165
  643   1HH1  ARG  97          HH21      ARG  97   9.518  10.466 -13.784
  644   2HH1  ARG  97          HH22      ARG  97   8.605  10.807 -15.216
  645   1HH2  ARG  97          HH11      ARG  97  11.306  10.402 -17.353
  646   2HH2  ARG  97          HH12      ARG  97   9.618  10.770 -17.238
  647    H    LEU  98           HN       LEU  98  15.332   6.718 -10.904
  648    HA   LEU  98           HA       LEU  98  17.016   8.981 -11.099
  649   1HB   LEU  98           HB2      LEU  98  16.562   6.813  -9.165
  650   2HB   LEU  98           HB1      LEU  98  18.191   7.488  -9.109
  651    HG   LEU  98           HG       LEU  98  16.220   9.598  -9.383
  652   1HD1  LEU  98          HD11      LEU  98  15.784   7.489  -7.300
  653   2HD1  LEU  98          HD13      LEU  98  15.519   9.176  -6.860
  654   3HD1  LEU  98          HD12      LEU  98  14.597   8.455  -8.179
  655   1HD2  LEU  98          HD22      LEU  98  18.253   8.856  -7.254
  656   2HD2  LEU  98          HD21      LEU  98  18.514   9.947  -8.614
  657   3HD2  LEU  98          HD23      LEU  98  17.396  10.396  -7.326
  658    H    ILE  99           HN       ILE  99  17.889   5.523 -11.332
  659    HA   ILE  99           HA       ILE  99  20.677   6.169 -11.919
  660    HB   ILE  99           HB       ILE  99  20.816   3.680 -12.376
  661   1HG1  ILE  99          HG12      ILE  99  18.368   2.933 -11.135
  662   2HG1  ILE  99          HG11      ILE  99  17.966   4.041 -12.445
  663   1HG2  ILE  99          HG23      ILE  99  20.414   5.102  -9.940
  664   2HG2  ILE  99          HG22      ILE  99  19.578   3.556  -9.793
  665   3HG2  ILE  99          HG21      ILE  99  21.298   3.595 -10.181
  666   1HD1  ILE  99          HD11      ILE  99  19.794   1.646 -12.759
  667   2HD1  ILE  99          HD13      ILE  99  18.079   1.641 -13.170
  668   3HD1  ILE  99          HD12      ILE  99  19.193   2.694 -14.044
  669    H    LYS 100           HN       LYS 100  17.807   5.994 -13.776
  670    HA   LYS 100           HA       LYS 100  19.360   6.408 -16.233
  671   1HB   LYS 100           HB2      LYS 100  18.411   3.796 -15.561
  672   2HB   LYS 100           HB1      LYS 100  17.453   4.394 -16.915
  673   1HG   LYS 100           HG2      LYS 100  20.164   5.127 -17.396
  674   2HG   LYS 100           HG1      LYS 100  20.145   3.421 -16.947
  675   1HD   LYS 100           HD2      LYS 100  18.361   4.665 -19.059
  676   2HD   LYS 100           HD1      LYS 100  19.838   3.763 -19.399
  677   1HE   LYS 100           HE2      LYS 100  18.923   1.734 -18.690
  678   2HE   LYS 100           HE1      LYS 100  17.699   2.521 -17.693
  679   1HZ   LYS 100           HZ2      LYS 100  17.349   3.349 -20.343
  680   2HZ   LYS 100           HZ1      LYS 100  17.476   1.655 -20.341
  681   3HZ   LYS 100           HZ3      LYS 100  16.300   2.416 -19.384
  682    H    LYS 101           HN       LYS 101  18.117   7.450 -17.834
  683    HA   LYS 101           HA       LYS 101  16.245   8.548 -18.758
  684   1HB   LYS 101           HB2      LYS 101  15.140   6.329 -17.431
  685   2HB   LYS 101           HB1      LYS 101  14.211   7.718 -16.864
  686   1HG   LYS 101           HG2      LYS 101  13.423   8.233 -18.983
  687   2HG   LYS 101           HG1      LYS 101  14.813   7.503 -19.790
  688   1HD   LYS 101           HD2      LYS 101  14.000   5.290 -19.398
  689   2HD   LYS 101           HD1      LYS 101  12.776   5.866 -18.266
  690   1HE   LYS 101           HE2      LYS 101  11.416   5.729 -20.099
  691   2HE   LYS 101           HE1      LYS 101  12.103   7.312 -20.460
  692   1HZ   LYS 101           HZ3      LYS 101  13.957   5.842 -21.550
  693   2HZ   LYS 101           HZ2      LYS 101  12.698   4.707 -21.658
  694   3HZ   LYS 101           HZ1      LYS 101  12.540   6.229 -22.397
   
  No H/Q in entry =         694
  Start of MODEL    6
    1   1H    VAL  62           HT1      VAL  62 -31.661  -1.953  -9.030
    2   2H    VAL  62           HT3      VAL  62 -30.777  -0.598  -9.542
    3   3H    VAL  62           HT2      VAL  62 -32.163  -0.392  -8.583
    4    HA   VAL  62           HA       VAL  62 -33.610  -0.811 -10.287
    5    HB   VAL  62           HB       VAL  62 -31.110   0.348 -11.550
    6   1HG1  VAL  62          HG12      VAL  62 -32.771  -0.587 -13.199
    7   2HG1  VAL  62          HG11      VAL  62 -33.974   0.516 -12.529
    8   3HG1  VAL  62          HG13      VAL  62 -32.537   1.157 -13.329
    9   1HG2  VAL  62          HG22      VAL  62 -33.597   1.594 -10.337
   10   2HG2  VAL  62          HG21      VAL  62 -31.966   1.655  -9.667
   11   3HG2  VAL  62          HG23      VAL  62 -32.333   2.494 -11.175
   12    H    GLN  63           HN       GLN  63 -30.532  -2.413 -10.672
   13    HA   GLN  63           HA       GLN  63 -31.838  -4.565 -12.175
   14   1HB   GLN  63           HB2      GLN  63 -29.903  -4.395 -13.931
   15   2HB   GLN  63           HB1      GLN  63 -31.317  -3.357 -14.116
   16   1HG   GLN  63           HG2      GLN  63 -30.117  -1.474 -13.740
   17   2HG   GLN  63           HG1      GLN  63 -29.265  -2.194 -12.374
   18   1HE2  GLN  63          HE22      GLN  63 -26.447  -3.175 -14.299
   19   2HE2  GLN  63          HE21      GLN  63 -27.235  -3.299 -12.800
   20    H    LEU  64           HN       LEU  64 -31.177  -6.061 -10.644
   21    HA   LEU  64           HA       LEU  64 -29.710  -7.427  -9.416
   22   1HB   LEU  64           HB2      LEU  64 -28.224  -6.727 -11.918
   23   2HB   LEU  64           HB1      LEU  64 -27.346  -7.543 -10.625
   24    HG   LEU  64           HG       LEU  64 -29.299  -9.218 -10.586
   25   1HD1  LEU  64          HD12      LEU  64 -30.120  -7.403 -12.714
   26   2HD1  LEU  64          HD11      LEU  64 -30.030  -9.072 -13.280
   27   3HD1  LEU  64          HD13      LEU  64 -31.050  -8.663 -11.899
   28   1HD2  LEU  64          HD22      LEU  64 -27.083  -8.920 -12.507
   29   2HD2  LEU  64          HD21      LEU  64 -27.523 -10.304 -11.505
   30   3HD2  LEU  64          HD23      LEU  64 -28.348 -10.029 -13.040
   31    H    ALA  65           HN       ALA  65 -27.091  -5.393 -10.598
   32    HA   ALA  65           HA       ALA  65 -27.020  -3.764  -8.176
   33   1HB   ALA  65           HB3      ALA  65 -24.941  -5.918  -8.655
   34   2HB   ALA  65           HB2      ALA  65 -24.750  -4.601  -7.498
   35   3HB   ALA  65           HB1      ALA  65 -26.032  -5.791  -7.275
   36    H    HIS  66           HN       HIS  66 -26.141  -1.812  -8.785
   37    HA   HIS  66           HA       HIS  66 -25.228  -1.290 -11.411
   38   1HB   HIS  66           HB2      HIS  66 -24.736   0.182  -8.809
   39   2HB   HIS  66           HB1      HIS  66 -24.235   0.810 -10.378
   40    HD1  HIS  66           HD1      HIS  66 -26.596   0.178 -12.141
   41    HD2  HIS  66           HD2      HIS  66 -27.052   1.585  -8.243
   42    HE1  HIS  66           HE1      HIS  66 -28.905   1.211 -12.019
   43    H    HIS  67           HN       HIS  67 -23.053  -0.885  -8.619
   44    HA   HIS  67           HA       HIS  67 -21.100  -2.773  -9.681
   45   1HB   HIS  67           HB2      HIS  67 -20.678  -0.906 -11.202
   46   2HB   HIS  67           HB1      HIS  67 -20.554   0.207  -9.839
   47    HD1  HIS  67           HD1      HIS  67 -18.066   0.767 -10.346
   48    HD2  HIS  67           HD2      HIS  67 -18.759  -3.276  -9.606
   49    HE1  HIS  67           HE1      HIS  67 -15.794  -0.301 -10.013
   50    H    PHE  68           HN       PHE  68 -20.854   0.279  -7.826
   51    HA   PHE  68           HA       PHE  68 -19.428  -1.163  -5.694
   52   1HB   PHE  68           HB2      PHE  68 -19.743   1.612  -6.548
   53   2HB   PHE  68           HB1      PHE  68 -19.915   1.434  -4.802
   54    HD1  PHE  68           HD2      PHE  68 -17.834  -0.408  -7.320
   55    HD2  PHE  68           HD1      PHE  68 -17.897   2.031  -3.785
   56    HE1  PHE  68           HE2      PHE  68 -15.376  -0.663  -7.101
   57    HE2  PHE  68           HE1      PHE  68 -15.440   1.778  -3.566
   58    HZ   PHE  68           HZ       PHE  68 -14.180   0.431  -5.224
   59    H    SER  69           HN       SER  69 -20.604  -2.185  -4.116
   60    HA   SER  69           HA       SER  69 -22.663  -0.825  -2.637
   61   1HB   SER  69           HB2      SER  69 -24.603  -2.122  -3.323
   62   2HB   SER  69           HB1      SER  69 -23.917  -1.340  -4.745
   63    HG   SER  69           HG       SER  69 -24.146  -3.404  -5.364
   64    H    GLU  70           HN       GLU  70 -20.263  -2.350  -2.104
   65    HA   GLU  70           HA       GLU  70 -21.454  -4.358  -0.279
   66   1HB   GLU  70           HB2      GLU  70 -19.284  -4.934  -2.310
   67   2HB   GLU  70           HB1      GLU  70 -19.603  -5.972  -0.921
   68   1HG   GLU  70           HG2      GLU  70 -22.125  -5.640  -1.943
   69   2HG   GLU  70           HG1      GLU  70 -21.146  -5.642  -3.410
   70    HA   PRO  71           HA       PRO  71 -18.615  -2.358   2.448
   71   1HB   PRO  71           HB2      PRO  71 -18.586  -4.593   4.238
   72   2HB   PRO  71           HB1      PRO  71 -19.531  -3.106   4.386
   73   1HG   PRO  71           HG2      PRO  71 -20.486  -5.752   3.719
   74   2HG   PRO  71           HG1      PRO  71 -21.431  -4.269   3.909
   75   1HD   PRO  71           HD2      PRO  71 -20.780  -5.645   1.461
   76   2HD   PRO  71           HD1      PRO  71 -21.723  -4.153   1.656
   77    H    GLU  72           HN       GLU  72 -18.161  -5.739   1.483
   78    HA   GLU  72           HA       GLU  72 -15.589  -6.280   2.356
   79   1HB   GLU  72           HB2      GLU  72 -15.321  -7.504   0.092
   80   2HB   GLU  72           HB1      GLU  72 -16.657  -7.998   1.132
   81   1HG   GLU  72           HG2      GLU  72 -18.030  -7.600  -0.611
   82   2HG   GLU  72           HG1      GLU  72 -17.694  -5.884  -0.385
   83    H    ILE  73           HN       ILE  73 -16.304  -4.719  -0.804
   84    HA   ILE  73           HA       ILE  73 -13.635  -4.076  -1.433
   85    HB   ILE  73           HB       ILE  73 -15.807  -3.859  -2.856
   86   1HG1  ILE  73          HG12      ILE  73 -14.508  -1.608  -3.813
   87   2HG1  ILE  73          HG11      ILE  73 -13.254  -2.444  -2.897
   88   1HG2  ILE  73          HG23      ILE  73 -16.616  -2.064  -1.082
   89   2HG2  ILE  73          HG22      ILE  73 -15.660  -0.968  -2.079
   90   3HG2  ILE  73          HG21      ILE  73 -16.999  -1.866  -2.791
   91   1HD1  ILE  73          HD13      ILE  73 -14.253  -4.569  -4.147
   92   2HD1  ILE  73          HD12      ILE  73 -14.748  -3.350  -5.321
   93   3HD1  ILE  73          HD11      ILE  73 -13.042  -3.545  -4.919
   94    H    THR  74           HN       THR  74 -15.942  -2.398   0.650
   95    HA   THR  74           HA       THR  74 -14.476   0.047   0.914
   96    HB   THR  74           HB       THR  74 -16.085  -1.124   3.172
   97    HG1  THR  74           HG1      THR  74 -17.824   0.023   1.801
   98   1HG2  THR  74          HG21      THR  74 -15.016   1.110   3.392
   99   2HG2  THR  74          HG23      THR  74 -15.907   1.653   1.970
  100   3HG2  THR  74          HG22      THR  74 -16.777   1.206   3.437
  101    H    LEU  75           HN       LEU  75 -14.460  -2.924   2.905
  102    HA   LEU  75           HA       LEU  75 -12.343  -1.915   4.634
  103   1HB   LEU  75           HB2      LEU  75 -14.164  -3.898   4.940
  104   2HB   LEU  75           HB1      LEU  75 -12.771  -4.847   4.420
  105    HG   LEU  75           HG       LEU  75 -12.980  -3.008   6.811
  106   1HD1  LEU  75          HD11      LEU  75 -13.573  -5.598   6.688
  107   2HD1  LEU  75          HD13      LEU  75 -11.822  -5.768   6.812
  108   3HD1  LEU  75          HD12      LEU  75 -12.720  -4.929   8.078
  109   1HD2  LEU  75          HD23      LEU  75 -10.523  -4.163   5.461
  110   2HD2  LEU  75          HD22      LEU  75 -10.858  -2.467   5.809
  111   3HD2  LEU  75          HD21      LEU  75 -10.522  -3.588   7.129
  112    H    ILE  76           HN       ILE  76 -12.467  -4.299   1.967
  113    HA   ILE  76           HA       ILE  76  -9.714  -4.973   2.015
  114    HB   ILE  76           HB       ILE  76 -11.448  -4.703  -0.461
  115   1HG1  ILE  76          HG12      ILE  76 -11.055  -7.190   1.215
  116   2HG1  ILE  76          HG11      ILE  76 -12.402  -6.086   1.492
  117   1HG2  ILE  76          HG23      ILE  76  -8.851  -5.114  -0.515
  118   2HG2  ILE  76          HG22      ILE  76  -9.292  -6.745  -0.005
  119   3HG2  ILE  76          HG21      ILE  76  -9.909  -6.098  -1.525
  120   1HD1  ILE  76          HD13      ILE  76 -11.811  -7.220  -1.242
  121   2HD1  ILE  76          HD12      ILE  76 -12.847  -8.060  -0.088
  122   3HD1  ILE  76          HD11      ILE  76 -13.297  -6.460  -0.676
  123    H    ILE  77           HN       ILE  77 -11.398  -2.371   0.226
  124    HA   ILE  77           HA       ILE  77  -9.087  -1.269  -1.009
  125    HB   ILE  77           HB       ILE  77 -11.660   0.016  -0.052
  126   1HG1  ILE  77          HG12      ILE  77 -11.657  -1.664  -1.962
  127   2HG1  ILE  77          HG11      ILE  77 -12.281  -0.067  -2.376
  128   1HG2  ILE  77          HG22      ILE  77  -9.267   1.195  -1.464
  129   2HG2  ILE  77          HG21      ILE  77 -10.880   1.877  -1.672
  130   3HG2  ILE  77          HG23      ILE  77 -10.142   1.831  -0.071
  131   1HD1  ILE  77          HD12      ILE  77  -9.355  -0.506  -2.727
  132   2HD1  ILE  77          HD11      ILE  77 -10.428  -1.305  -3.876
  133   3HD1  ILE  77          HD13      ILE  77 -10.473   0.449  -3.701
  134    H    PHE  78           HN       PHE  78 -10.610  -0.531   2.135
  135    HA   PHE  78           HA       PHE  78  -8.763   1.455   2.978
  136   1HB   PHE  78           HB2      PHE  78 -10.706  -0.338   4.319
  137   2HB   PHE  78           HB1      PHE  78  -9.383   0.232   5.335
  138    HD1  PHE  78           HD1      PHE  78 -10.896   2.010   2.439
  139    HD2  PHE  78           HD2      PHE  78 -10.492   1.829   6.711
  140    HE1  PHE  78           HE1      PHE  78 -11.989   4.227   2.635
  141    HE2  PHE  78           HE2      PHE  78 -11.586   4.046   6.908
  142    HZ   PHE  78           HZ       PHE  78 -12.333   5.245   4.870
  143    H    GLY  79           HN       GLY  79  -8.680  -2.086   3.483
  144   1HA   GLY  79           HA2      GLY  79  -6.276  -2.177   4.979
  145   2HA   GLY  79           HA1      GLY  79  -6.852  -3.490   3.951
  146    H    VAL  80           HN       VAL  80  -6.728  -2.350   1.425
  147    HA   VAL  80           HA       VAL  80  -3.983  -2.610   0.754
  148    HB   VAL  80           HB       VAL  80  -6.149  -1.122  -0.763
  149   1HG1  VAL  80          HG11      VAL  80  -3.469  -2.269  -1.598
  150   2HG1  VAL  80          HG13      VAL  80  -4.704  -1.730  -2.734
  151   3HG1  VAL  80          HG12      VAL  80  -3.952  -0.573  -1.634
  152   1HG2  VAL  80          HG23      VAL  80  -6.123  -3.784  -0.035
  153   2HG2  VAL  80          HG22      VAL  80  -6.951  -3.139  -1.452
  154   3HG2  VAL  80          HG21      VAL  80  -5.334  -3.825  -1.613
  155    H    MET  81           HN       MET  81  -5.964   0.330   1.175
  156    HA   MET  81           HA       MET  81  -3.901   2.221   0.688
  157   1HB   MET  81           HB2      MET  81  -6.331   2.346   2.495
  158   2HB   MET  81           HB1      MET  81  -5.287   3.731   2.176
  159   1HG   MET  81           HG2      MET  81  -5.929   2.506  -0.328
  160   2HG   MET  81           HG1      MET  81  -7.429   2.745   0.570
  161   1HE   MET  81           HE1      MET  81  -8.614   4.457   0.769
  162   2HE   MET  81           HE3      MET  81  -7.748   5.485   1.920
  163   3HE   MET  81           HE2      MET  81  -8.320   6.154   0.394
  164    H    ALA  82           HN       ALA  82  -4.958   0.694   3.729
  165    HA   ALA  82           HA       ALA  82  -3.118   1.981   5.446
  166   1HB   ALA  82           HB1      ALA  82  -4.881  -0.344   5.592
  167   2HB   ALA  82           HB3      ALA  82  -3.392  -0.581   6.514
  168   3HB   ALA  82           HB2      ALA  82  -4.428   0.804   6.849
  169    H    GLY  83           HN       GLY  83  -2.703  -1.102   3.623
  170   1HA   GLY  83           HA2      GLY  83  -0.118  -1.707   4.610
  171   2HA   GLY  83           HA1      GLY  83  -0.715  -2.191   3.021
  172    H    VAL  84           HN       VAL  84  -1.076   0.232   1.761
  173    HA   VAL  84           HA       VAL  84   1.540   0.899   0.897
  174    HB   VAL  84           HB       VAL  84  -1.021   2.515   0.758
  175   1HG1  VAL  84          HG13      VAL  84   1.182   3.809   0.518
  176   2HG1  VAL  84          HG12      VAL  84   1.454   2.863  -0.944
  177   3HG1  VAL  84          HG11      VAL  84   0.054   3.929  -0.832
  178   1HG2  VAL  84          HG22      VAL  84   0.234   0.344  -0.849
  179   2HG2  VAL  84          HG21      VAL  84  -1.472   0.719  -0.605
  180   3HG2  VAL  84          HG23      VAL  84  -0.519   1.658  -1.752
  181    H    ILE  85           HN       ILE  85  -0.589   2.628   3.203
  182    HA   ILE  85           HA       ILE  85   1.162   4.777   3.764
  183    HB   ILE  85           HB       ILE  85  -0.856   3.365   5.526
  184   1HG1  ILE  85          HG12      ILE  85  -1.080   6.112   4.313
  185   2HG1  ILE  85          HG11      ILE  85  -1.456   4.687   3.345
  186   1HG2  ILE  85          HG22      ILE  85   0.833   5.823   5.990
  187   2HG2  ILE  85          HG21      ILE  85  -0.723   5.612   6.795
  188   3HG2  ILE  85          HG23      ILE  85   0.576   4.451   7.068
  189   1HD1  ILE  85          HD12      ILE  85  -2.870   4.040   5.515
  190   2HD1  ILE  85          HD11      ILE  85  -2.883   5.792   5.725
  191   3HD1  ILE  85          HD13      ILE  85  -3.541   5.074   4.254
  192    H    GLY  86           HN       GLY  86   0.924   1.596   5.412
  193   1HA   GLY  86           HA2      GLY  86   2.953   2.058   7.335
  194   2HA   GLY  86           HA1      GLY  86   2.530   0.466   6.702
  195    H    THR  87           HN       THR  87   3.199   0.697   4.047
  196    HA   THR  87           HA       THR  87   5.997   0.257   4.030
  197    HB   THR  87           HB       THR  87   4.342   1.181   1.667
  198    HG1  THR  87           HG1      THR  87   3.307  -0.547   2.631
  199   1HG2  THR  87          HG23      THR  87   7.017  -0.049   2.071
  200   2HG2  THR  87          HG22      THR  87   6.059  -0.678   0.730
  201   3HG2  THR  87          HG21      THR  87   6.458   1.039   0.798
  202    H    ILE  88           HN       ILE  88   4.143   3.157   3.075
  203    HA   ILE  88           HA       ILE  88   6.336   4.754   2.272
  204    HB   ILE  88           HB       ILE  88   3.702   5.510   3.564
  205   1HG1  ILE  88          HG12      ILE  88   4.632   5.861   0.704
  206   2HG1  ILE  88          HG11      ILE  88   3.810   4.399   1.254
  207   1HG2  ILE  88          HG22      ILE  88   6.067   7.133   2.850
  208   2HG2  ILE  88          HG21      ILE  88   4.540   7.730   2.200
  209   3HG2  ILE  88          HG23      ILE  88   4.731   7.507   3.940
  210   1HD1  ILE  88          HD13      ILE  88   2.110   6.222   2.253
  211   2HD1  ILE  88          HD12      ILE  88   2.739   7.158   0.896
  212   3HD1  ILE  88          HD11      ILE  88   1.959   5.603   0.608
  213    H    LEU  89           HN       LEU  89   4.858   4.430   5.521
  214    HA   LEU  89           HA       LEU  89   6.581   6.262   6.828
  215   1HB   LEU  89           HB2      LEU  89   5.525   5.595   8.730
  216   2HB   LEU  89           HB1      LEU  89   4.479   4.705   7.633
  217    HG   LEU  89           HG       LEU  89   6.144   2.758   7.890
  218   1HD1  LEU  89          HD12      LEU  89   7.459   4.771   9.447
  219   2HD1  LEU  89          HD11      LEU  89   6.975   3.462  10.525
  220   3HD1  LEU  89          HD13      LEU  89   7.992   3.120   9.125
  221   1HD2  LEU  89          HD21      LEU  89   3.901   2.863   8.964
  222   2HD2  LEU  89          HD23      LEU  89   5.082   2.021   9.966
  223   3HD2  LEU  89          HD22      LEU  89   4.628   3.682  10.346
  224    H    LEU  90           HN       LEU  90   6.966   2.758   6.283
  225    HA   LEU  90           HA       LEU  90   9.468   2.454   7.601
  226   1HB   LEU  90           HB2      LEU  90   8.137   0.543   6.768
  227   2HB   LEU  90           HB1      LEU  90   8.469   1.036   5.106
  228    HG   LEU  90           HG       LEU  90  10.779   0.624   6.971
  229   1HD1  LEU  90          HD12      LEU  90   8.871  -1.380   6.624
  230   2HD1  LEU  90          HD11      LEU  90  10.103  -1.758   5.422
  231   3HD1  LEU  90          HD13      LEU  90  10.544  -1.618   7.123
  232   1HD2  LEU  90          HD21      LEU  90  10.224   0.460   4.010
  233   2HD2  LEU  90          HD23      LEU  90  11.434   1.425   4.856
  234   3HD2  LEU  90          HD22      LEU  90  11.649  -0.318   4.698
  235    H    ILE  91           HN       ILE  91   8.760   3.293   4.202
  236    HA   ILE  91           HA       ILE  91  11.437   3.490   3.300
  237    HB   ILE  91           HB       ILE  91   9.032   5.141   2.466
  238   1HG1  ILE  91          HG12      ILE  91  10.201   2.572   1.346
  239   2HG1  ILE  91          HG11      ILE  91   8.696   2.700   2.258
  240   1HG2  ILE  91          HG21      ILE  91  11.834   5.091   1.611
  241   2HG2  ILE  91          HG23      ILE  91  10.707   4.808   0.284
  242   3HG2  ILE  91          HG22      ILE  91  10.574   6.273   1.257
  243   1HD1  ILE  91          HD11      ILE  91   7.804   4.241   0.521
  244   2HD1  ILE  91          HD13      ILE  91   9.287   4.018  -0.408
  245   3HD1  ILE  91          HD12      ILE  91   8.202   2.654  -0.140
  246    H    SER  92           HN       SER  92   9.362   6.036   4.745
  247    HA   SER  92           HA       SER  92  11.283   8.119   4.588
  248   1HB   SER  92           HB2      SER  92   9.254   7.632   6.794
  249   2HB   SER  92           HB1      SER  92  10.057   9.162   6.452
  250    HG   SER  92           HG       SER  92   8.742   9.471   4.835
  251    H    TYR  93           HN       TYR  93  10.693   5.723   7.174
  252    HA   TYR  93           HA       TYR  93  12.777   6.556   8.915
  253   1HB   TYR  93           HB2      TYR  93  10.900   4.634   9.066
  254   2HB   TYR  93           HB1      TYR  93  12.280   3.632   8.615
  255    HD1  TYR  93           HD1      TYR  93  14.539   4.256   9.929
  256    HD2  TYR  93           HD2      TYR  93  10.553   5.024  11.334
  257    HE1  TYR  93           HE1      TYR  93  15.380   4.363  12.259
  258    HE2  TYR  93           HE2      TYR  93  11.395   5.131  13.665
  259    HH   TYR  93           HH       TYR  93  13.168   4.670  15.000
  260    H    GLY  94           HN       GLY  94  12.839   4.155   6.257
  261   1HA   GLY  94           HA2      GLY  94  15.561   3.411   6.494
  262   2HA   GLY  94           HA1      GLY  94  14.641   3.355   4.990
  263    H    ILE  95           HN       ILE  95  14.074   6.012   4.549
  264    HA   ILE  95           HA       ILE  95  16.471   6.992   3.381
  265    HB   ILE  95           HB       ILE  95  13.834   8.281   4.078
  266   1HG1  ILE  95          HG12      ILE  95  14.729   8.549   1.359
  267   2HG1  ILE  95          HG11      ILE  95  14.935   6.873   1.864
  268   1HG2  ILE  95          HG23      ILE  95  16.395   9.637   3.543
  269   2HG2  ILE  95          HG22      ILE  95  15.088  10.125   2.462
  270   3HG2  ILE  95          HG21      ILE  95  14.895  10.287   4.208
  271   1HD1  ILE  95          HD12      ILE  95  12.482   7.398   2.913
  272   2HD1  ILE  95          HD11      ILE  95  12.450   8.443   1.493
  273   3HD1  ILE  95          HD13      ILE  95  12.725   6.711   1.308
  274    H    ARG  96           HN       ARG  96  14.902   7.917   6.458
  275    HA   ARG  96           HA       ARG  96  16.774   9.895   7.242
  276   1HB   ARG  96           HB2      ARG  96  14.554   9.186   8.388
  277   2HB   ARG  96           HB1      ARG  96  15.537   7.979   9.219
  278   1HG   ARG  96           HG2      ARG  96  16.422   9.527  10.599
  279   2HG   ARG  96           HG1      ARG  96  16.800  10.605   9.254
  280   1HD   ARG  96           HD2      ARG  96  15.162  11.590  10.878
  281   2HD   ARG  96           HD1      ARG  96  14.528  11.465   9.237
  282    HE   ARG  96           HE       ARG  96  13.728   9.098  10.434
  283   1HH1  ARG  96          HH21      ARG  96  13.528  10.233  13.057
  284   2HH1  ARG  96          HH22      ARG  96  12.004  11.054  13.064
  285   1HH2  ARG  96          HH11      ARG  96  11.725  11.120   9.608
  286   2HH2  ARG  96          HH12      ARG  96  10.983  11.556  11.111
  287    H    ARG  97           HN       ARG  97  16.806   6.376   7.891
  288    HA   ARG  97           HA       ARG  97  19.213   6.360   9.384
  289   1HB   ARG  97           HB2      ARG  97  17.492   4.418   8.764
  290   2HB   ARG  97           HB1      ARG  97  18.684   4.097   7.503
  291   1HG   ARG  97           HG2      ARG  97  19.849   4.594  10.163
  292   2HG   ARG  97           HG1      ARG  97  18.844   3.148  10.076
  293   1HD   ARG  97           HD2      ARG  97  21.091   3.798   8.146
  294   2HD   ARG  97           HD1      ARG  97  21.229   2.688   9.509
  295    HE   ARG  97           HE       ARG  97  19.046   1.733   8.088
  296   1HH1  ARG  97          HH21      ARG  97  22.357   1.400   8.155
  297   2HH1  ARG  97          HH22      ARG  97  22.513   0.725   6.567
  298   1HH2  ARG  97          HH11      ARG  97  19.215   1.344   5.693
  299   2HH2  ARG  97          HH12      ARG  97  20.734   0.692   5.174
  300    H    LEU  98           HN       LEU  98  18.735   5.988   5.870
  301    HA   LEU  98           HA       LEU  98  21.445   5.620   5.153
  302   1HB   LEU  98           HB2      LEU  98  19.004   6.623   3.766
  303   2HB   LEU  98           HB1      LEU  98  20.559   6.956   3.003
  304    HG   LEU  98           HG       LEU  98  20.005   4.188   4.016
  305   1HD1  LEU  98          HD13      LEU  98  18.193   5.384   2.331
  306   2HD1  LEU  98          HD12      LEU  98  19.328   4.667   1.187
  307   3HD1  LEU  98          HD11      LEU  98  18.520   3.651   2.381
  308   1HD2  LEU  98          HD23      LEU  98  21.726   5.537   1.954
  309   2HD2  LEU  98          HD22      LEU  98  22.187   4.379   3.203
  310   3HD2  LEU  98          HD21      LEU  98  21.329   3.829   1.764
  311    H    ILE  99           HN       ILE  99  19.603   8.669   5.444
  312    HA   ILE  99           HA       ILE  99  21.989  10.267   4.892
  313    HB   ILE  99           HB       ILE  99  20.417  12.165   5.645
  314   1HG1  ILE  99          HG12      ILE  99  18.063  10.525   5.168
  315   2HG1  ILE  99          HG11      ILE  99  18.949   9.969   6.587
  316   1HG2  ILE  99          HG22      ILE  99  20.684  10.756   3.249
  317   2HG2  ILE  99          HG21      ILE  99  18.940  10.871   3.487
  318   3HG2  ILE  99          HG23      ILE  99  19.924  12.335   3.447
  319   1HD1  ILE  99          HD11      ILE  99  19.033  12.430   7.307
  320   2HD1  ILE  99          HD13      ILE  99  17.817  12.720   6.063
  321   3HD1  ILE  99          HD12      ILE  99  17.463  11.633   7.408
  322    H    LYS 100           HN       LYS 100  20.533   8.850   7.683
  323    HA   LYS 100           HA       LYS 100  22.591  10.179   9.364
  324   1HB   LYS 100           HB2      LYS 100  19.965  11.028   9.429
  325   2HB   LYS 100           HB1      LYS 100  20.012   9.844  10.736
  326   1HG   LYS 100           HG2      LYS 100  20.783  11.643  11.932
  327   2HG   LYS 100           HG1      LYS 100  22.325  11.145  11.237
  328   1HD   LYS 100           HD2      LYS 100  21.476  12.680   9.217
  329   2HD   LYS 100           HD1      LYS 100  20.587  13.464  10.524
  330   1HE   LYS 100           HE2      LYS 100  22.692  14.596  10.380
  331   2HE   LYS 100           HE1      LYS 100  22.789  13.556  11.801
  332   1HZ   LYS 100           HZ2      LYS 100  23.704  12.629   9.151
  333   2HZ   LYS 100           HZ1      LYS 100  24.727  13.522  10.173
  334   3HZ   LYS 100           HZ3      LYS 100  24.114  12.026  10.686
  335    H    LYS 101           HN       LYS 101  23.687   8.575  10.379
  336    HA   LYS 101           HA       LYS 101  24.041   6.604  11.630
  337   1HB   LYS 101           HB2      LYS 101  21.622   7.247  12.472
  338   2HB   LYS 101           HB1      LYS 101  21.130   5.899  11.445
  339   1HG   LYS 101           HG2      LYS 101  22.637   4.391  12.631
  340   2HG   LYS 101           HG1      LYS 101  23.254   5.728  13.602
  341   1HD   LYS 101           HD2      LYS 101  20.415   5.765  13.820
  342   2HD   LYS 101           HD1      LYS 101  20.942   4.102  14.084
  343   1HE   LYS 101           HE2      LYS 101  22.592   4.905  15.753
  344   2HE   LYS 101           HE1      LYS 101  22.011   6.553  15.515
  345   1HZ   LYS 101           HZ3      LYS 101  19.965   4.582  16.083
  346   2HZ   LYS 101           HZ2      LYS 101  21.048   4.883  17.358
  347   3HZ   LYS 101           HZ1      LYS 101  20.152   6.157  16.681
  348   1H    VAL  62           HT1      VAL  62 -23.910 -18.792  -0.185
  349   2H    VAL  62           HT3      VAL  62 -25.435 -19.310   0.349
  350   3H    VAL  62           HT2      VAL  62 -24.027 -19.936   1.066
  351    HA   VAL  62           HA       VAL  62 -23.495 -21.240  -0.752
  352    HB   VAL  62           HB       VAL  62 -25.609 -21.916   0.494
  353   1HG1  VAL  62          HG11      VAL  62 -26.870 -19.943  -0.680
  354   2HG1  VAL  62          HG13      VAL  62 -27.068 -21.090  -2.005
  355   3HG1  VAL  62          HG12      VAL  62 -27.723 -21.464  -0.411
  356   1HG2  VAL  62          HG22      VAL  62 -24.592 -22.793  -2.084
  357   2HG2  VAL  62          HG21      VAL  62 -25.180 -23.762  -0.734
  358   3HG2  VAL  62          HG23      VAL  62 -26.314 -23.142  -1.932
  359    H    GLN  63           HN       GLN  63 -25.762 -18.666  -1.585
  360    HA   GLN  63           HA       GLN  63 -24.990 -19.027  -4.453
  361   1HB   GLN  63           HB2      GLN  63 -27.399 -19.364  -4.053
  362   2HB   GLN  63           HB1      GLN  63 -27.497 -17.782  -3.285
  363   1HG   GLN  63           HG2      GLN  63 -28.190 -17.963  -5.778
  364   2HG   GLN  63           HG1      GLN  63 -27.126 -16.638  -5.315
  365   1HE2  GLN  63          HE22      GLN  63 -24.380 -17.829  -7.216
  366   2HE2  GLN  63          HE21      GLN  63 -24.921 -16.686  -6.084
  367    H    LEU  64           HN       LEU  64 -23.713 -17.463  -2.178
  368    HA   LEU  64           HA       LEU  64 -24.050 -14.730  -2.237
  369   1HB   LEU  64           HB2      LEU  64 -21.642 -16.478  -2.052
  370   2HB   LEU  64           HB1      LEU  64 -21.367 -14.759  -2.339
  371    HG   LEU  64           HG       LEU  64 -23.189 -15.760  -0.142
  372   1HD1  LEU  64          HD11      LEU  64 -20.635 -16.458  -0.091
  373   2HD1  LEU  64          HD13      LEU  64 -20.408 -14.776   0.391
  374   3HD1  LEU  64          HD12      LEU  64 -21.422 -15.843   1.363
  375   1HD2  LEU  64          HD22      LEU  64 -22.499 -13.197  -1.240
  376   2HD2  LEU  64          HD21      LEU  64 -23.598 -13.557   0.092
  377   3HD2  LEU  64          HD23      LEU  64 -21.885 -13.288   0.411
  378    H    ALA  65           HN       ALA  65 -23.481 -13.020  -3.657
  379    HA   ALA  65           HA       ALA  65 -22.734 -13.910  -6.409
  380   1HB   ALA  65           HB2      ALA  65 -24.843 -12.148  -5.412
  381   2HB   ALA  65           HB1      ALA  65 -23.860 -11.379  -6.657
  382   3HB   ALA  65           HB3      ALA  65 -24.674 -12.906  -6.995
  383    H    HIS  66           HN       HIS  66 -20.737 -13.213  -7.041
  384    HA   HIS  66           HA       HIS  66 -19.825 -10.516  -6.624
  385   1HB   HIS  66           HB2      HIS  66 -17.788 -11.310  -5.208
  386   2HB   HIS  66           HB1      HIS  66 -19.319 -11.021  -4.383
  387    HD1  HIS  66           HD1      HIS  66 -18.838 -14.077  -6.502
  388    HD2  HIS  66           HD2      HIS  66 -18.834 -13.071  -2.457
  389    HE1  HIS  66           HE1      HIS  66 -18.873 -16.261  -5.220
  390    H    HIS  67           HN       HIS  67 -17.665 -10.198  -7.592
  391    HA   HIS  67           HA       HIS  67 -17.279 -11.746  -9.954
  392   1HB   HIS  67           HB2      HIS  67 -15.660  -9.689  -8.487
  393   2HB   HIS  67           HB1      HIS  67 -14.904 -10.595  -9.799
  394    HD1  HIS  67           HD1      HIS  67 -16.653 -10.705 -12.042
  395    HD2  HIS  67           HD2      HIS  67 -16.904  -7.438  -9.466
  396    HE1  HIS  67           HE1      HIS  67 -17.808  -8.861 -13.336
  397    H    PHE  68           HN       PHE  68 -15.083 -11.559  -7.121
  398    HA   PHE  68           HA       PHE  68 -13.802 -14.069  -7.919
  399   1HB   PHE  68           HB2      PHE  68 -13.422 -12.693  -5.263
  400   2HB   PHE  68           HB1      PHE  68 -12.262 -13.653  -6.182
  401    HD1  PHE  68           HD2      PHE  68 -11.764 -12.727  -8.634
  402    HD2  PHE  68           HD1      PHE  68 -13.242 -10.370  -5.361
  403    HE1  PHE  68           HE2      PHE  68 -10.930 -10.669  -9.739
  404    HE2  PHE  68           HE1      PHE  68 -12.408  -8.313  -6.465
  405    HZ   PHE  68           HZ       PHE  68 -11.252  -8.461  -8.655
  406    H    SER  69           HN       SER  69 -13.390 -15.333  -5.469
  407    HA   SER  69           HA       SER  69 -16.091 -15.883  -4.368
  408   1HB   SER  69           HB2      SER  69 -14.851 -18.409  -4.702
  409   2HB   SER  69           HB1      SER  69 -16.308 -17.817  -5.494
  410    HG   SER  69           HG       SER  69 -13.615 -17.494  -6.346
  411    H    GLU  70           HN       GLU  70 -13.203 -14.896  -3.598
  412    HA   GLU  70           HA       GLU  70 -12.533 -16.842  -1.486
  413   1HB   GLU  70           HB2      GLU  70 -11.313 -14.179  -2.274
  414   2HB   GLU  70           HB1      GLU  70 -10.706 -15.193  -0.964
  415   1HG   GLU  70           HG2      GLU  70 -10.333 -17.040  -2.546
  416   2HG   GLU  70           HG1      GLU  70 -10.964 -16.048  -3.862
  417    HA   PRO  71           HA       PRO  71 -14.810 -15.084   1.788
  418   1HB   PRO  71           HB2      PRO  71 -12.546 -15.037   3.600
  419   2HB   PRO  71           HB1      PRO  71 -13.923 -16.148   3.585
  420   1HG   PRO  71           HG2      PRO  71 -11.233 -16.730   2.798
  421   2HG   PRO  71           HG1      PRO  71 -12.638 -17.793   2.667
  422   1HD   PRO  71           HD2      PRO  71 -11.222 -16.452   0.532
  423   2HD   PRO  71           HD1      PRO  71 -12.607 -17.557   0.404
  424    H    GLU  72           HN       GLU  72 -15.111 -13.061   2.860
  425    HA   GLU  72           HA       GLU  72 -14.068 -10.757   1.644
  426   1HB   GLU  72           HB2      GLU  72 -15.324 -11.242   4.340
  427   2HB   GLU  72           HB1      GLU  72 -14.767  -9.633   3.881
  428   1HG   GLU  72           HG2      GLU  72 -16.185  -9.698   1.872
  429   2HG   GLU  72           HG1      GLU  72 -16.730 -11.321   2.301
  430    H    ILE  73           HN       ILE  73 -13.248 -11.663   5.015
  431    HA   ILE  73           HA       ILE  73 -11.076 -10.007   5.382
  432    HB   ILE  73           HB       ILE  73 -12.098 -11.723   7.008
  433   1HG1  ILE  73          HG12      ILE  73  -9.771 -12.021   8.111
  434   2HG1  ILE  73          HG11      ILE  73  -9.169 -11.093   6.738
  435   1HG2  ILE  73          HG22      ILE  73  -9.981 -13.444   5.676
  436   2HG2  ILE  73          HG21      ILE  73 -10.860 -13.864   7.147
  437   3HG2  ILE  73          HG23      ILE  73 -11.721 -13.720   5.615
  438   1HD1  ILE  73          HD13      ILE  73 -11.454  -9.715   7.647
  439   2HD1  ILE  73          HD12      ILE  73 -10.547 -10.147   9.097
  440   3HD1  ILE  73          HD11      ILE  73  -9.772  -9.212   7.819
  441    H    THR  74           HN       THR  74 -11.022 -13.187   3.754
  442    HA   THR  74           HA       THR  74  -8.238 -13.347   3.295
  443    HB   THR  74           HB       THR  74 -10.602 -14.303   1.667
  444    HG1  THR  74           HG1      THR  74  -9.807 -15.171   3.811
  445   1HG2  THR  74          HG22      THR  74  -7.704 -14.290   1.013
  446   2HG2  THR  74          HG21      THR  74  -8.562 -15.805   0.739
  447   3HG2  THR  74          HG23      THR  74  -9.101 -14.330  -0.062
  448    H    LEU  75           HN       LEU  75 -10.765 -11.794   1.309
  449    HA   LEU  75           HA       LEU  75  -8.937 -10.804  -0.687
  450   1HB   LEU  75           HB2      LEU  75 -11.638 -10.925  -0.568
  451   2HB   LEU  75           HB1      LEU  75 -11.399  -9.236  -0.118
  452    HG   LEU  75           HG       LEU  75 -10.482 -10.628  -2.642
  453   1HD1  LEU  75          HD11      LEU  75 -12.751  -9.095  -1.956
  454   2HD1  LEU  75          HD13      LEU  75 -11.723  -8.032  -2.919
  455   3HD1  LEU  75          HD12      LEU  75 -12.246  -9.584  -3.573
  456   1HD2  LEU  75          HD23      LEU  75  -9.576  -8.043  -1.379
  457   2HD2  LEU  75          HD22      LEU  75  -8.595  -9.320  -2.101
  458   3HD2  LEU  75          HD21      LEU  75  -9.547  -8.249  -3.131
  459    H    ILE  76           HN       ILE  76 -10.377  -9.268   2.214
  460    HA   ILE  76           HA       ILE  76  -9.171  -6.728   1.872
  461    HB   ILE  76           HB       ILE  76  -9.644  -8.196   4.486
  462   1HG1  ILE  76          HG12      ILE  76 -11.503  -6.239   3.124
  463   2HG1  ILE  76          HG11      ILE  76 -11.617  -7.979   2.848
  464   1HG2  ILE  76          HG23      ILE  76  -8.238  -6.178   4.693
  465   2HG2  ILE  76          HG22      ILE  76  -9.460  -5.237   3.839
  466   3HG2  ILE  76          HG21      ILE  76  -9.822  -5.919   5.423
  467   1HD1  ILE  76          HD11      ILE  76 -11.423  -7.204   5.687
  468   2HD1  ILE  76          HD13      ILE  76 -12.892  -6.657   4.880
  469   3HD1  ILE  76          HD12      ILE  76 -12.491  -8.373   4.910
  470    H    ILE  77           HN       ILE  77  -7.943  -9.621   3.575
  471    HA   ILE  77           HA       ILE  77  -5.436  -8.533   4.355
  472    HB   ILE  77           HB       ILE  77  -6.170 -11.368   3.557
  473   1HG1  ILE  77          HG12      ILE  77  -7.382 -10.325   5.512
  474   2HG1  ILE  77          HG11      ILE  77  -6.419 -11.740   5.936
  475   1HG2  ILE  77          HG21      ILE  77  -3.613 -10.151   4.166
  476   2HG2  ILE  77          HG23      ILE  77  -4.030 -11.352   5.389
  477   3HG2  ILE  77          HG22      ILE  77  -3.967 -11.812   3.686
  478   1HD1  ILE  77          HD11      ILE  77  -4.682  -9.514   6.126
  479   2HD1  ILE  77          HD13      ILE  77  -6.183  -9.042   6.922
  480   3HD1  ILE  77          HD12      ILE  77  -5.321 -10.488   7.448
  481    H    PHE  78           HN       PHE  78  -6.385 -10.278   1.398
  482    HA   PHE  78           HA       PHE  78  -3.877 -10.224   0.086
  483   1HB   PHE  78           HB2      PHE  78  -6.723 -10.304  -0.893
  484   2HB   PHE  78           HB1      PHE  78  -5.396 -10.154  -2.043
  485    HD1  PHE  78           HD2      PHE  78  -5.048 -11.928   1.171
  486    HD2  PHE  78           HD1      PHE  78  -5.716 -12.347  -3.052
  487    HE1  PHE  78           HE2      PHE  78  -4.618 -14.364   1.344
  488    HE2  PHE  78           HE1      PHE  78  -5.286 -14.783  -2.879
  489    HZ   PHE  78           HZ       PHE  78  -4.737 -15.792  -0.681
  490    H    GLY  79           HN       GLY  79  -6.549  -7.846  -0.035
  491   1HA   GLY  79           HA2      GLY  79  -5.343  -6.059  -1.867
  492   2HA   GLY  79           HA1      GLY  79  -6.493  -5.569  -0.624
  493    H    VAL  80           HN       VAL  80  -5.086  -6.090   1.719
  494    HA   VAL  80           HA       VAL  80  -3.382  -3.829   1.925
  495    HB   VAL  80           HB       VAL  80  -3.310  -6.324   3.643
  496   1HG1  VAL  80          HG13      VAL  80  -1.983  -3.718   3.727
  497   2HG1  VAL  80          HG12      VAL  80  -2.889  -4.060   5.201
  498   3HG1  VAL  80          HG11      VAL  80  -1.640  -5.179   4.653
  499   1HG2  VAL  80          HG23      VAL  80  -5.435  -4.486   3.168
  500   2HG2  VAL  80          HG22      VAL  80  -5.360  -5.754   4.391
  501   3HG2  VAL  80          HG21      VAL  80  -4.789  -4.129   4.770
  502    H    MET  81           HN       MET  81  -2.563  -7.279   1.560
  503    HA   MET  81           HA       MET  81   0.260  -6.981   1.473
  504   1HB   MET  81           HB2      MET  81  -1.605  -8.987   0.187
  505   2HB   MET  81           HB1      MET  81   0.151  -9.111   0.064
  506   1HG   MET  81           HG2      MET  81  -0.110  -8.716   2.735
  507   2HG   MET  81           HG1      MET  81  -1.618  -9.569   2.399
  508   1HE   MET  81           HE3      MET  81   0.943  -9.848   3.982
  509   2HE   MET  81           HE2      MET  81   1.198 -11.589   4.077
  510   3HE   MET  81           HE1      MET  81   2.328 -10.589   3.168
  511    H    ALA  82           HN       ALA  82  -2.143  -6.945  -1.149
  512    HA   ALA  82           HA       ALA  82  -0.354  -6.572  -3.300
  513   1HB   ALA  82           HB3      ALA  82  -3.237  -6.278  -2.869
  514   2HB   ALA  82           HB2      ALA  82  -2.603  -5.132  -4.053
  515   3HB   ALA  82           HB1      ALA  82  -2.362  -6.861  -4.282
  516    H    GLY  83           HN       GLY  83  -1.965  -4.065  -1.268
  517   1HA   GLY  83           HA2      GLY  83  -0.931  -1.830  -2.663
  518   2HA   GLY  83           HA1      GLY  83  -1.331  -1.830  -0.944
  519    H    VAL  84           HN       VAL  84   0.474  -3.649   0.088
  520    HA   VAL  84           HA       VAL  84   2.859  -2.122   0.313
  521    HB   VAL  84           HB       VAL  84   2.583  -5.115   0.718
  522   1HG1  VAL  84          HG12      VAL  84   4.702  -3.145   1.173
  523   2HG1  VAL  84          HG11      VAL  84   4.282  -4.042   2.632
  524   3HG1  VAL  84          HG13      VAL  84   4.789  -4.906   1.180
  525   1HG2  VAL  84          HG21      VAL  84   1.383  -2.857   2.099
  526   2HG2  VAL  84          HG23      VAL  84   1.122  -4.582   2.355
  527   3HG2  VAL  84          HG22      VAL  84   2.448  -3.759   3.176
  528    H    ILE  85           HN       ILE  85   2.197  -5.023  -1.676
  529    HA   ILE  85           HA       ILE  85   4.753  -5.256  -2.866
  530    HB   ILE  85           HB       ILE  85   2.042  -5.853  -4.091
  531   1HG1  ILE  85          HG12      ILE  85   2.488  -6.983  -1.915
  532   2HG1  ILE  85          HG11      ILE  85   2.431  -8.126  -3.258
  533   1HG2  ILE  85          HG23      ILE  85   4.866  -6.659  -4.824
  534   2HG2  ILE  85          HG22      ILE  85   3.447  -7.540  -5.392
  535   3HG2  ILE  85          HG21      ILE  85   3.674  -5.850  -5.842
  536   1HD1  ILE  85          HD13      ILE  85   5.040  -7.622  -3.344
  537   2HD1  ILE  85          HD12      ILE  85   4.780  -7.207  -1.649
  538   3HD1  ILE  85          HD11      ILE  85   4.385  -8.824  -2.232
  539    H    GLY  86           HN       GLY  86   1.908  -3.399  -4.004
  540   1HA   GLY  86           HA2      GLY  86   3.063  -2.397  -6.383
  541   2HA   GLY  86           HA1      GLY  86   1.807  -1.565  -5.466
  542    H    THR  87           HN       THR  87   3.104  -1.004  -3.089
  543    HA   THR  87           HA       THR  87   4.589   1.328  -3.714
  544    HB   THR  87           HB       THR  87   4.787  -0.310  -1.168
  545    HG1  THR  87           HG1      THR  87   2.634   0.247  -1.768
  546   1HG2  THR  87          HG22      THR  87   5.415   2.553  -1.900
  547   2HG2  THR  87          HG21      THR  87   5.163   2.045  -0.231
  548   3HG2  THR  87          HG23      THR  87   6.486   1.356  -1.171
  549    H    ILE  88           HN       ILE  88   5.744  -1.914  -2.746
  550    HA   ILE  88           HA       ILE  88   8.517  -1.342  -2.781
  551    HB   ILE  88           HB       ILE  88   7.030  -3.888  -3.484
  552   1HG1  ILE  88          HG12      ILE  88   8.536  -3.059  -0.983
  553   2HG1  ILE  88          HG11      ILE  88   6.782  -2.980  -1.160
  554   1HG2  ILE  88          HG22      ILE  88   9.813  -3.206  -3.815
  555   2HG2  ILE  88          HG21      ILE  88   9.651  -4.434  -2.558
  556   3HG2  ILE  88          HG23      ILE  88   9.001  -4.730  -4.170
  557   1HD1  ILE  88          HD12      ILE  88   8.323  -5.538  -1.624
  558   2HD1  ILE  88          HD11      ILE  88   7.720  -5.085  -0.029
  559   3HD1  ILE  88          HD13      ILE  88   6.590  -5.344  -1.358
  560    H    LEU  89           HN       LEU  89   6.402  -2.476  -5.433
  561    HA   LEU  89           HA       LEU  89   8.403  -2.601  -7.434
  562   1HB   LEU  89           HB2      LEU  89   6.572  -3.405  -8.487
  563   2HB   LEU  89           HB1      LEU  89   5.503  -2.668  -7.301
  564    HG   LEU  89           HG       LEU  89   5.669  -0.512  -8.536
  565   1HD1  LEU  89          HD11      LEU  89   7.695  -2.068  -9.989
  566   2HD1  LEU  89          HD13      LEU  89   6.564  -1.226 -11.050
  567   3HD1  LEU  89          HD12      LEU  89   7.500  -0.319  -9.862
  568   1HD2  LEU  89          HD21      LEU  89   4.300  -2.883  -9.299
  569   2HD2  LEU  89          HD23      LEU  89   3.827  -1.216  -9.627
  570   3HD2  LEU  89          HD22      LEU  89   4.825  -2.095 -10.787
  571    H    LEU  90           HN       LEU  90   6.308   0.124  -6.457
  572    HA   LEU  90           HA       LEU  90   7.272   2.023  -8.336
  573   1HB   LEU  90           HB2      LEU  90   5.994   2.192  -5.638
  574   2HB   LEU  90           HB1      LEU  90   6.781   3.641  -6.259
  575    HG   LEU  90           HG       LEU  90   5.477   3.255  -8.424
  576   1HD1  LEU  90          HD12      LEU  90   4.911   0.835  -7.492
  577   2HD1  LEU  90          HD11      LEU  90   3.551   1.683  -6.754
  578   3HD1  LEU  90          HD13      LEU  90   3.756   1.703  -8.505
  579   1HD2  LEU  90          HD23      LEU  90   4.924   4.828  -6.384
  580   2HD2  LEU  90          HD22      LEU  90   3.715   4.578  -7.643
  581   3HD2  LEU  90          HD21      LEU  90   3.597   3.696  -6.120
  582    H    ILE  91           HN       ILE  91   8.485   1.281  -5.048
  583    HA   ILE  91           HA       ILE  91  10.587   3.187  -5.021
  584    HB   ILE  91           HB       ILE  91  10.522   0.414  -3.787
  585   1HG1  ILE  91          HG12      ILE  91   9.899   3.119  -2.565
  586   2HG1  ILE  91          HG11      ILE  91   8.668   1.993  -3.138
  587   1HG2  ILE  91          HG23      ILE  91  12.527   2.555  -3.820
  588   2HG2  ILE  91          HG22      ILE  91  12.061   2.068  -2.190
  589   3HG2  ILE  91          HG21      ILE  91  12.691   0.871  -3.323
  590   1HD1  ILE  91          HD12      ILE  91  10.391   0.465  -1.514
  591   2HD1  ILE  91          HD11      ILE  91  10.125   1.972  -0.637
  592   3HD1  ILE  91          HD13      ILE  91   8.750   0.983  -1.129
  593    H    SER  92           HN       SER  92  10.615  -0.205  -6.177
  594    HA   SER  92           HA       SER  92  13.338  -0.244  -6.975
  595   1HB   SER  92           HB2      SER  92  10.949  -1.619  -8.246
  596   2HB   SER  92           HB1      SER  92  12.632  -2.011  -8.589
  597    HG   SER  92           HG       SER  92  12.850  -2.431  -6.312
  598    H    TYR  93           HN       TYR  93  10.417   0.695  -8.814
  599    HA   TYR  93           HA       TYR  93  11.743   1.411 -11.220
  600   1HB   TYR  93           HB2      TYR  93   9.118   1.737 -10.084
  601   2HB   TYR  93           HB1      TYR  93   9.625   3.257 -10.823
  602    HD1  TYR  93           HD1      TYR  93  10.307  -0.332 -11.679
  603    HD2  TYR  93           HD2      TYR  93   8.691   3.438 -12.955
  604    HE1  TYR  93           HE1      TYR  93   9.880  -1.277 -13.931
  605    HE2  TYR  93           HE2      TYR  93   8.263   2.492 -15.209
  606    HH   TYR  93           HH       TYR  93   9.531   0.281 -16.543
  607    H    GLY  94           HN       GLY  94  10.962   3.427  -8.360
  608   1HA   GLY  94           HA2      GLY  94  12.090   5.846  -9.318
  609   2HA   GLY  94           HA1      GLY  94  11.966   5.412  -7.611
  610    H    ILE  95           HN       ILE  95  13.577   3.199  -7.448
  611    HA   ILE  95           HA       ILE  95  16.196   4.310  -7.304
  612    HB   ILE  95           HB       ILE  95  15.085   1.524  -7.162
  613   1HG1  ILE  95          HG12      ILE  95  15.217   3.084  -5.190
  614   2HG1  ILE  95          HG11      ILE  95  16.125   1.589  -4.963
  615   1HG2  ILE  95          HG23      ILE  95  17.852   2.221  -7.969
  616   2HG2  ILE  95          HG22      ILE  95  17.716   1.058  -6.652
  617   3HG2  ILE  95          HG21      ILE  95  16.954   0.722  -8.206
  618   1HD1  ILE  95          HD11      ILE  95  17.899   3.385  -6.225
  619   2HD1  ILE  95          HD13      ILE  95  17.093   4.309  -4.957
  620   3HD1  ILE  95          HD12      ILE  95  17.958   2.826  -4.554
  621    H    ARG  96           HN       ARG  96  14.717   2.197  -9.764
  622    HA   ARG  96           HA       ARG  96  16.954   1.981 -11.489
  623   1HB   ARG  96           HB2      ARG  96  14.889   0.660 -11.794
  624   2HB   ARG  96           HB1      ARG  96  14.015   2.127 -12.238
  625   1HG   ARG  96           HG2      ARG  96  14.679   1.855 -14.367
  626   2HG   ARG  96           HG1      ARG  96  16.356   2.030 -13.848
  627   1HD   ARG  96           HD2      ARG  96  16.238  -0.096 -14.927
  628   2HD   ARG  96           HD1      ARG  96  16.267  -0.441 -13.197
  629    HE   ARG  96           HE       ARG  96  13.567  -0.292 -13.789
  630   1HH1  ARG  96          HH11      ARG  96  15.636  -2.713 -13.370
  631   2HH1  ARG  96          HH12      ARG  96  15.013  -3.783 -14.580
  632   1HH2  ARG  96          HH21      ARG  96  13.026  -1.367 -16.075
  633   2HH2  ARG  96          HH22      ARG  96  13.536  -3.022 -16.112
  634    H    ARG  97           HN       ARG  97  14.352   4.435 -11.447
  635    HA   ARG  97           HA       ARG  97  15.294   5.934 -13.654
  636   1HB   ARG  97           HB2      ARG  97  13.105   6.350 -12.585
  637   2HB   ARG  97           HB1      ARG  97  13.927   6.965 -11.150
  638   1HG   ARG  97           HG2      ARG  97  14.122   8.997 -12.093
  639   2HG   ARG  97           HG1      ARG  97  14.972   8.299 -13.471
  640   1HD   ARG  97           HD2      ARG  97  12.965   7.938 -14.674
  641   2HD   ARG  97           HD1      ARG  97  11.968   8.139 -13.233
  642    HE   ARG  97           HE       ARG  97  13.221  10.590 -13.502
  643   1HH1  ARG  97          HH11      ARG  97  12.823   9.198 -16.395
  644   2HH1  ARG  97          HH12      ARG  97  11.513  10.183 -16.954
  645   1HH2  ARG  97          HH21      ARG  97  10.891  11.587 -13.846
  646   2HH2  ARG  97          HH22      ARG  97  10.420  11.535 -15.512
  647    H    LEU  98           HN       LEU  98  16.081   6.263 -10.193
  648    HA   LEU  98           HA       LEU  98  17.838   8.470 -10.402
  649   1HB   LEU  98           HB2      LEU  98  17.309   6.333  -8.458
  650   2HB   LEU  98           HB1      LEU  98  18.971   6.921  -8.419
  651    HG   LEU  98           HG       LEU  98  16.482   8.645  -8.245
  652   1HD1  LEU  98          HD11      LEU  98  18.079   7.234  -6.270
  653   2HD1  LEU  98          HD13      LEU  98  18.118   8.975  -5.989
  654   3HD1  LEU  98          HD12      LEU  98  16.573   8.127  -6.052
  655   1HD2  LEU  98          HD22      LEU  98  19.210   9.234  -8.973
  656   2HD2  LEU  98          HD21      LEU  98  17.837  10.337  -8.859
  657   3HD2  LEU  98          HD23      LEU  98  18.830  10.015  -7.437
  658    H    ILE  99           HN       ILE  99  18.583   4.981 -10.623
  659    HA   ILE  99           HA       ILE  99  21.386   5.517 -11.244
  660    HB   ILE  99           HB       ILE  99  21.497   3.059 -11.631
  661   1HG1  ILE  99          HG12      ILE  99  19.123   2.054 -10.722
  662   2HG1  ILE  99          HG11      ILE  99  18.566   3.445 -11.647
  663   1HG2  ILE  99          HG22      ILE  99  20.709   4.428  -9.200
  664   2HG2  ILE  99          HG21      ILE  99  20.128   2.763  -9.193
  665   3HG2  ILE  99          HG23      ILE  99  21.846   3.096  -9.405
  666   1HD1  ILE  99          HD12      ILE  99  20.168   2.585 -13.501
  667   2HD1  ILE  99          HD11      ILE  99  20.149   1.067 -12.603
  668   3HD1  ILE  99          HD13      ILE  99  18.648   1.725 -13.255
  669    H    LYS 100           HN       LYS 100  18.439   4.975 -13.070
  670    HA   LYS 100           HA       LYS 100  20.031   5.397 -15.559
  671   1HB   LYS 100           HB2      LYS 100  19.208   2.948 -15.075
  672   2HB   LYS 100           HB1      LYS 100  17.640   3.578 -15.581
  673   1HG   LYS 100           HG2      LYS 100  18.353   3.097 -17.683
  674   2HG   LYS 100           HG1      LYS 100  19.297   4.579 -17.528
  675   1HD   LYS 100           HD2      LYS 100  21.106   3.271 -17.901
  676   2HD   LYS 100           HD1      LYS 100  20.883   2.715 -16.242
  677   1HE   LYS 100           HE2      LYS 100  19.468   0.871 -17.025
  678   2HE   LYS 100           HE1      LYS 100  19.619   1.441 -18.687
  679   1HZ   LYS 100           HZ1      LYS 100  22.107   1.008 -17.251
  680   2HZ   LYS 100           HZ3      LYS 100  21.219  -0.388 -17.621
  681   3HZ   LYS 100           HZ2      LYS 100  21.707   0.660 -18.865
  682    H    LYS 101           HN       LYS 101  19.191   7.014 -16.798
  683    HA   LYS 101           HA       LYS 101  17.692   8.656 -17.558
  684   1HB   LYS 101           HB2      LYS 101  16.346   6.511 -18.009
  685   2HB   LYS 101           HB1      LYS 101  15.477   6.881 -16.518
  686   1HG   LYS 101           HG2      LYS 101  14.154   8.250 -17.719
  687   2HG   LYS 101           HG1      LYS 101  15.552   9.301 -17.944
  688   1HD   LYS 101           HD2      LYS 101  16.086   8.356 -20.031
  689   2HD   LYS 101           HD1      LYS 101  15.139   6.901 -19.717
  690   1HE   LYS 101           HE2      LYS 101  13.485   9.289 -19.571
  691   2HE   LYS 101           HE1      LYS 101  14.288   9.158 -21.136
  692   1HZ   LYS 101           HZ3      LYS 101  13.514   6.653 -20.802
  693   2HZ   LYS 101           HZ2      LYS 101  12.286   7.431 -19.923
  694   3HZ   LYS 101           HZ1      LYS 101  12.542   7.819 -21.557
   
  No H/Q in entry =         694
  Start of MODEL    7
    1   1H    VAL  62           HT3      VAL  62  -9.390   5.098  15.927
    2   2H    VAL  62           HT2      VAL  62  -9.748   6.583  15.182
    3   3H    VAL  62           HT1      VAL  62  -9.206   6.545  16.792
    4    HA   VAL  62           HA       VAL  62 -11.201   5.558  17.555
    5    HB   VAL  62           HB       VAL  62 -11.175   8.048  17.000
    6   1HG1  VAL  62          HG13      VAL  62 -11.641   7.046  14.412
    7   2HG1  VAL  62          HG12      VAL  62 -13.160   7.794  14.904
    8   3HG1  VAL  62          HG11      VAL  62 -11.669   8.737  14.912
    9   1HG2  VAL  62          HG22      VAL  62 -12.996   6.878  18.277
   10   2HG2  VAL  62          HG21      VAL  62 -13.566   8.283  17.376
   11   3HG2  VAL  62          HG23      VAL  62 -13.861   6.659  16.755
   12    H    GLN  63           HN       GLN  63 -10.611   5.171  14.185
   13    HA   GLN  63           HA       GLN  63 -13.162   3.642  13.888
   14   1HB   GLN  63           HB2      GLN  63 -12.641   5.532  12.258
   15   2HB   GLN  63           HB1      GLN  63 -11.305   4.542  11.671
   16   1HG   GLN  63           HG2      GLN  63 -13.445   4.294  10.347
   17   2HG   GLN  63           HG1      GLN  63 -12.810   2.779  10.994
   18   1HE2  GLN  63          HE22      GLN  63 -15.774   2.132  12.764
   19   2HE2  GLN  63          HE21      GLN  63 -14.381   1.528  12.004
   20    H    LEU  64           HN       LEU  64 -10.479   2.831  15.111
   21    HA   LEU  64           HA       LEU  64  -9.688   0.665  13.237
   22   1HB   LEU  64           HB2      LEU  64  -8.366   0.949  15.891
   23   2HB   LEU  64           HB1      LEU  64  -7.658   0.609  14.313
   24    HG   LEU  64           HG       LEU  64  -8.661   3.298  15.292
   25   1HD1  LEU  64          HD12      LEU  64  -6.244   2.056  15.760
   26   2HD1  LEU  64          HD11      LEU  64  -5.905   3.000  14.310
   27   3HD1  LEU  64          HD13      LEU  64  -6.501   3.800  15.765
   28   1HD2  LEU  64          HD23      LEU  64  -8.540   2.286  12.656
   29   2HD2  LEU  64          HD22      LEU  64  -8.753   3.967  13.141
   30   3HD2  LEU  64          HD21      LEU  64  -7.136   3.337  12.833
   31    H    ALA  65           HN       ALA  65 -11.942   1.098  15.619
   32    HA   ALA  65           HA       ALA  65 -11.659  -1.176  17.294
   33   1HB   ALA  65           HB3      ALA  65 -13.784   0.708  16.586
   34   2HB   ALA  65           HB2      ALA  65 -14.399  -0.910  16.928
   35   3HB   ALA  65           HB1      ALA  65 -13.436  -0.058  18.135
   36    H    HIS  66           HN       HIS  66 -12.472  -0.943  13.944
   37    HA   HIS  66           HA       HIS  66 -12.819  -2.660  12.372
   38   1HB   HIS  66           HB2      HIS  66 -11.382  -3.887  14.397
   39   2HB   HIS  66           HB1      HIS  66 -12.822  -4.896  14.271
   40    HD1  HIS  66           HD1      HIS  66 -12.396  -6.782  12.710
   41    HD2  HIS  66           HD2      HIS  66 -10.525  -3.286  11.418
   42    HE1  HIS  66           HE1      HIS  66 -11.265  -7.343  10.515
   43    H    HIS  67           HN       HIS  67 -14.284  -3.907  15.399
   44    HA   HIS  67           HA       HIS  67 -16.502  -4.526  15.853
   45   1HB   HIS  67           HB2      HIS  67 -16.571  -1.999  14.528
   46   2HB   HIS  67           HB1      HIS  67 -17.903  -2.969  13.899
   47    HD1  HIS  67           HD1      HIS  67 -19.813  -3.567  15.508
   48    HD2  HIS  67           HD2      HIS  67 -16.708  -1.491  17.360
   49    HE1  HIS  67           HE1      HIS  67 -20.656  -2.915  17.806
   50    H    PHE  68           HN       PHE  68 -18.694  -5.013  14.362
   51    HA   PHE  68           HA       PHE  68 -17.700  -6.792  12.168
   52   1HB   PHE  68           HB2      PHE  68 -20.093  -7.255  13.973
   53   2HB   PHE  68           HB1      PHE  68 -19.472  -8.363  12.749
   54    HD1  PHE  68           HD1      PHE  68 -16.606  -8.318  13.095
   55    HD2  PHE  68           HD2      PHE  68 -19.689  -8.177  16.082
   56    HE1  PHE  68           HE1      PHE  68 -15.039  -9.281  14.758
   57    HE2  PHE  68           HE2      PHE  68 -18.122  -9.140  17.745
   58    HZ   PHE  68           HZ       PHE  68 -15.796  -9.692  17.083
   59    H    SER  69           HN       SER  69 -19.913  -7.470  10.870
   60    HA   SER  69           HA       SER  69 -21.441  -6.678   9.277
   61   1HB   SER  69           HB2      SER  69 -22.039  -4.982  11.699
   62   2HB   SER  69           HB1      SER  69 -22.941  -4.782  10.200
   63    HG   SER  69           HG       SER  69 -23.829  -6.705  10.466
   64    H    GLU  70           HN       GLU  70 -19.434  -5.907   8.098
   65    HA   GLU  70           HA       GLU  70 -19.657  -2.974   7.660
   66   1HB   GLU  70           HB2      GLU  70 -17.082  -2.996   7.421
   67   2HB   GLU  70           HB1      GLU  70 -17.746  -3.015   9.055
   68   1HG   GLU  70           HG2      GLU  70 -17.502  -5.708   7.985
   69   2HG   GLU  70           HG1      GLU  70 -15.950  -4.870   7.971
   70    HA   PRO  71           HA       PRO  71 -19.688  -4.090   3.432
   71   1HB   PRO  71           HB2      PRO  71 -18.150  -1.801   2.610
   72   2HB   PRO  71           HB1      PRO  71 -19.904  -2.016   2.531
   73   1HG   PRO  71           HG2      PRO  71 -18.417  -0.326   4.335
   74   2HG   PRO  71           HG1      PRO  71 -20.170  -0.539   4.245
   75   1HD   PRO  71           HD2      PRO  71 -18.382  -1.516   6.281
   76   2HD   PRO  71           HD1      PRO  71 -20.138  -1.745   6.175
   77    H    GLU  72           HN       GLU  72 -18.356  -5.646   2.590
   78    HA   GLU  72           HA       GLU  72 -15.655  -6.040   3.357
   79   1HB   GLU  72           HB2      GLU  72 -16.769  -6.925   0.694
   80   2HB   GLU  72           HB1      GLU  72 -15.578  -7.742   1.708
   81   1HG   GLU  72           HG2      GLU  72 -17.289  -8.940   2.560
   82   2HG   GLU  72           HG1      GLU  72 -17.803  -7.458   3.369
   83    H    ILE  73           HN       ILE  73 -16.851  -4.821   0.199
   84    HA   ILE  73           HA       ILE  73 -14.432  -4.135  -0.959
   85    HB   ILE  73           HB       ILE  73 -16.748  -3.902  -1.958
   86   1HG1  ILE  73          HG12      ILE  73 -15.938  -1.480  -2.934
   87   2HG1  ILE  73          HG11      ILE  73 -14.437  -2.100  -2.244
   88   1HG2  ILE  73          HG23      ILE  73 -17.643  -2.549  -0.030
   89   2HG2  ILE  73          HG22      ILE  73 -16.653  -1.200  -0.585
   90   3HG2  ILE  73          HG21      ILE  73 -17.945  -1.825  -1.610
   91   1HD1  ILE  73          HD12      ILE  73 -15.564  -4.306  -3.530
   92   2HD1  ILE  73          HD11      ILE  73 -15.854  -2.964  -4.638
   93   3HD1  ILE  73          HD13      ILE  73 -14.211  -3.338  -4.115
   94    H    THR  74           HN       THR  74 -16.343  -2.103   1.284
   95    HA   THR  74           HA       THR  74 -14.617   0.145   1.260
   96    HB   THR  74           HB       THR  74 -15.599   0.685   3.480
   97    HG1  THR  74           HG1      THR  74 -15.744  -1.330   4.382
   98   1HG2  THR  74          HG21      THR  74 -17.388  -0.301   1.259
   99   2HG2  THR  74          HG23      THR  74 -18.040   0.496   2.691
  100   3HG2  THR  74          HG22      THR  74 -16.921   1.358   1.635
  101    H    LEU  75           HN       LEU  75 -14.571  -2.715   3.411
  102    HA   LEU  75           HA       LEU  75 -12.239  -1.775   4.853
  103   1HB   LEU  75           HB2      LEU  75 -14.056  -3.664   5.418
  104   2HB   LEU  75           HB1      LEU  75 -12.822  -4.697   4.696
  105    HG   LEU  75           HG       LEU  75 -12.536  -2.859   7.081
  106   1HD1  LEU  75          HD11      LEU  75 -12.981  -5.672   6.686
  107   2HD1  LEU  75          HD13      LEU  75 -11.402  -5.439   7.434
  108   3HD1  LEU  75          HD12      LEU  75 -12.846  -4.783   8.204
  109   1HD2  LEU  75          HD21      LEU  75 -10.467  -4.049   5.248
  110   2HD2  LEU  75          HD23      LEU  75 -10.508  -2.447   5.986
  111   3HD2  LEU  75          HD22      LEU  75 -10.105  -3.857   6.963
  112    H    ILE  76           HN       ILE  76 -12.643  -4.211   2.233
  113    HA   ILE  76           HA       ILE  76  -9.907  -4.931   2.084
  114    HB   ILE  76           HB       ILE  76 -11.910  -4.750  -0.189
  115   1HG1  ILE  76          HG12      ILE  76 -11.130  -7.171   1.449
  116   2HG1  ILE  76          HG11      ILE  76 -12.496  -6.145   1.886
  117   1HG2  ILE  76          HG21      ILE  76  -9.541  -4.948  -0.918
  118   2HG2  ILE  76          HG23      ILE  76  -9.364  -6.377   0.101
  119   3HG2  ILE  76          HG22      ILE  76 -10.464  -6.407  -1.279
  120   1HD1  ILE  76          HD11      ILE  76 -12.404  -6.992  -0.950
  121   2HD1  ILE  76          HD13      ILE  76 -12.701  -8.280   0.218
  122   3HD1  ILE  76          HD12      ILE  76 -13.778  -6.886   0.151
  123    H    ILE  77           HN       ILE  77 -11.648  -2.336   0.299
  124    HA   ILE  77           HA       ILE  77  -9.364  -1.378  -1.109
  125    HB   ILE  77           HB       ILE  77 -10.577   0.735  -1.347
  126   1HG1  ILE  77          HG12      ILE  77 -12.413  -0.411   0.774
  127   2HG1  ILE  77          HG11      ILE  77 -11.349   0.980   0.971
  128   1HG2  ILE  77          HG22      ILE  77 -12.210  -1.800  -1.501
  129   2HG2  ILE  77          HG21      ILE  77 -12.839  -0.254  -2.071
  130   3HG2  ILE  77          HG23      ILE  77 -11.395  -0.946  -2.810
  131   1HD1  ILE  77          HD13      ILE  77 -12.671   1.803  -1.205
  132   2HD1  ILE  77          HD12      ILE  77 -13.916   0.753  -0.529
  133   3HD1  ILE  77          HD11      ILE  77 -13.284   2.098   0.422
  134    H    PHE  78           HN       PHE  78 -10.690  -0.464   2.062
  135    HA   PHE  78           HA       PHE  78  -8.766   1.504   2.739
  136   1HB   PHE  78           HB2      PHE  78 -10.746  -0.105   4.179
  137   2HB   PHE  78           HB1      PHE  78  -9.310   0.224   5.146
  138    HD1  PHE  78           HD2      PHE  78 -11.282   2.139   2.583
  139    HD2  PHE  78           HD1      PHE  78  -9.552   2.082   6.514
  140    HE1  PHE  78           HE2      PHE  78 -12.060   4.463   2.958
  141    HE2  PHE  78           HE1      PHE  78 -10.328   4.407   6.889
  142    HZ   PHE  78           HZ       PHE  78 -11.582   5.598   5.112
  143    H    GLY  79           HN       GLY  79  -8.709  -2.023   3.345
  144   1HA   GLY  79           HA2      GLY  79  -6.241  -2.100   4.728
  145   2HA   GLY  79           HA1      GLY  79  -6.870  -3.433   3.760
  146    H    VAL  80           HN       VAL  80  -6.839  -2.355   1.192
  147    HA   VAL  80           HA       VAL  80  -4.116  -2.649   0.433
  148    HB   VAL  80           HB       VAL  80  -6.364  -1.226  -1.024
  149   1HG1  VAL  80          HG11      VAL  80  -3.934  -0.748  -1.742
  150   2HG1  VAL  80          HG13      VAL  80  -3.875  -2.441  -2.232
  151   3HG1  VAL  80          HG12      VAL  80  -5.031  -1.345  -2.987
  152   1HG2  VAL  80          HG21      VAL  80  -6.220  -3.867  -0.307
  153   2HG2  VAL  80          HG23      VAL  80  -7.057  -3.280  -1.745
  154   3HG2  VAL  80          HG22      VAL  80  -5.409  -3.896  -1.874
  155    H    MET  81           HN       MET  81  -6.068   0.309   0.860
  156    HA   MET  81           HA       MET  81  -4.017   2.185   0.272
  157   1HB   MET  81           HB2      MET  81  -6.424   2.317   2.105
  158   2HB   MET  81           HB1      MET  81  -5.354   3.697   1.853
  159   1HG   MET  81           HG2      MET  81  -6.327   2.304  -0.590
  160   2HG   MET  81           HG1      MET  81  -7.516   3.246   0.310
  161   1HE   MET  81           HE2      MET  81  -7.485   4.065  -2.183
  162   2HE   MET  81           HE1      MET  81  -7.963   5.442  -1.191
  163   3HE   MET  81           HE3      MET  81  -6.803   5.658  -2.508
  164    H    ALA  82           HN       ALA  82  -4.982   0.701   3.355
  165    HA   ALA  82           HA       ALA  82  -3.093   1.986   5.016
  166   1HB   ALA  82           HB3      ALA  82  -4.868  -0.319   5.221
  167   2HB   ALA  82           HB2      ALA  82  -3.348  -0.589   6.078
  168   3HB   ALA  82           HB1      ALA  82  -4.345   0.809   6.470
  169    H    GLY  83           HN       GLY  83  -2.746  -1.091   3.173
  170   1HA   GLY  83           HA2      GLY  83  -0.148  -1.723   4.096
  171   2HA   GLY  83           HA1      GLY  83  -0.779  -2.184   2.513
  172    H    VAL  84           HN       VAL  84  -1.128   0.275   1.276
  173    HA   VAL  84           HA       VAL  84   1.505   0.926   0.418
  174    HB   VAL  84           HB       VAL  84  -0.989   2.656   0.344
  175   1HG1  VAL  84          HG11      VAL  84   1.775   3.038  -0.588
  176   2HG1  VAL  84          HG13      VAL  84   0.565   3.272  -1.850
  177   3HG1  VAL  84          HG12      VAL  84   0.488   4.225  -0.368
  178   1HG2  VAL  84          HG22      VAL  84  -1.163   0.398  -0.752
  179   2HG2  VAL  84          HG21      VAL  84  -1.312   1.742  -1.885
  180   3HG2  VAL  84          HG23      VAL  84   0.200   0.842  -1.777
  181    H    ILE  85           HN       ILE  85  -0.625   2.615   2.738
  182    HA   ILE  85           HA       ILE  85   1.151   4.708   3.435
  183    HB   ILE  85           HB       ILE  85  -0.890   3.279   5.165
  184   1HG1  ILE  85          HG12      ILE  85  -1.271   5.956   3.863
  185   2HG1  ILE  85          HG11      ILE  85  -1.481   4.500   2.889
  186   1HG2  ILE  85          HG23      ILE  85   0.998   4.843   6.180
  187   2HG2  ILE  85          HG22      ILE  85  -0.035   6.125   5.548
  188   3HG2  ILE  85          HG21      ILE  85  -0.672   4.980   6.729
  189   1HD1  ILE  85          HD12      ILE  85  -2.851   3.902   5.226
  190   2HD1  ILE  85          HD11      ILE  85  -3.213   5.608   4.971
  191   3HD1  ILE  85          HD13      ILE  85  -3.586   4.431   3.712
  192    H    GLY  86           HN       GLY  86   0.774   1.472   4.910
  193   1HA   GLY  86           HA2      GLY  86   2.696   1.763   6.958
  194   2HA   GLY  86           HA1      GLY  86   2.274   0.224   6.206
  195    H    THR  87           HN       THR  87   3.152   0.595   3.599
  196    HA   THR  87           HA       THR  87   5.933   0.076   3.803
  197    HB   THR  87           HB       THR  87   4.400   1.146   1.413
  198    HG1  THR  87           HG1      THR  87   3.600  -0.817   2.270
  199   1HG2  THR  87          HG22      THR  87   7.140  -0.055   1.768
  200   2HG2  THR  87          HG21      THR  87   6.289  -0.188   0.231
  201   3HG2  THR  87          HG23      THR  87   6.683   1.402   0.886
  202    H    ILE  88           HN       ILE  88   4.231   3.092   2.898
  203    HA   ILE  88           HA       ILE  88   6.543   4.694   2.500
  204    HB   ILE  88           HB       ILE  88   3.789   5.415   3.547
  205   1HG1  ILE  88          HG12      ILE  88   5.129   5.733   0.840
  206   2HG1  ILE  88          HG11      ILE  88   3.872   4.560   1.235
  207   1HG2  ILE  88          HG21      ILE  88   6.057   7.221   2.650
  208   2HG2  ILE  88          HG23      ILE  88   4.415   7.754   3.009
  209   3HG2  ILE  88          HG22      ILE  88   5.428   7.090   4.291
  210   1HD1  ILE  88          HD13      ILE  88   3.405   7.497   1.699
  211   2HD1  ILE  88          HD12      ILE  88   3.172   6.800   0.095
  212   3HD1  ILE  88          HD11      ILE  88   2.220   6.213   1.458
  213    H    LEU  89           HN       LEU  89   4.644   4.085   5.454
  214    HA   LEU  89           HA       LEU  89   6.188   5.676   7.219
  215   1HB   LEU  89           HB2      LEU  89   4.577   4.937   8.617
  216   2HB   LEU  89           HB1      LEU  89   4.068   3.759   7.414
  217    HG   LEU  89           HG       LEU  89   5.862   2.212   8.278
  218   1HD1  LEU  89          HD12      LEU  89   6.369   4.603   9.932
  219   2HD1  LEU  89          HD11      LEU  89   6.332   3.087  10.832
  220   3HD1  LEU  89          HD13      LEU  89   7.459   3.289   9.489
  221   1HD2  LEU  89          HD22      LEU  89   3.541   3.177   9.911
  222   2HD2  LEU  89          HD21      LEU  89   3.774   1.623   9.109
  223   3HD2  LEU  89          HD23      LEU  89   4.624   1.976  10.612
  224    H    LEU  90           HN       LEU  90   6.547   2.259   6.290
  225    HA   LEU  90           HA       LEU  90   8.814   1.653   7.893
  226   1HB   LEU  90           HB2      LEU  90   7.336   0.270   6.011
  227   2HB   LEU  90           HB1      LEU  90   8.889   0.467   5.199
  228    HG   LEU  90           HG       LEU  90   8.539  -0.613   8.009
  229   1HD1  LEU  90          HD11      LEU  90   7.927  -1.908   5.649
  230   2HD1  LEU  90          HD13      LEU  90   9.605  -2.379   5.917
  231   3HD1  LEU  90          HD12      LEU  90   8.389  -2.707   7.152
  232   1HD2  LEU  90          HD21      LEU  90  10.775   0.485   6.667
  233   2HD2  LEU  90          HD23      LEU  90  10.778  -0.407   8.188
  234   3HD2  LEU  90          HD22      LEU  90  11.013  -1.262   6.664
  235    H    ILE  91           HN       ILE  91   8.664   2.971   4.572
  236    HA   ILE  91           HA       ILE  91  11.459   3.148   4.129
  237    HB   ILE  91           HB       ILE  91   9.259   5.013   3.182
  238   1HG1  ILE  91          HG12      ILE  91  10.573   2.611   1.867
  239   2HG1  ILE  91          HG11      ILE  91   8.946   2.637   2.547
  240   1HG2  ILE  91          HG23      ILE  91  12.137   4.633   2.320
  241   2HG2  ILE  91          HG22      ILE  91  10.932   5.435   1.312
  242   3HG2  ILE  91          HG21      ILE  91  11.370   6.119   2.878
  243   1HD1  ILE  91          HD11      ILE  91   8.792   4.796   0.925
  244   2HD1  ILE  91          HD13      ILE  91   9.962   3.829   0.024
  245   3HD1  ILE  91          HD12      ILE  91   8.370   3.166   0.395
  246    H    SER  92           HN       SER  92   9.234   5.540   5.599
  247    HA   SER  92           HA       SER  92  11.187   7.541   6.083
  248   1HB   SER  92           HB2      SER  92   8.613   6.775   7.437
  249   2HB   SER  92           HB1      SER  92   9.643   8.004   8.162
  250    HG   SER  92           HG       SER  92   9.046   8.127   5.422
  251    H    TYR  93           HN       TYR  93  10.148   4.799   8.141
  252    HA   TYR  93           HA       TYR  93  11.935   5.284  10.298
  253   1HB   TYR  93           HB2      TYR  93  10.035   3.483   9.989
  254   2HB   TYR  93           HB1      TYR  93  11.352   2.481   9.378
  255    HD1  TYR  93           HD2      TYR  93  10.802   4.903  12.204
  256    HD2  TYR  93           HD1      TYR  93  12.381   1.112  10.946
  257    HE1  TYR  93           HE2      TYR  93  11.527   4.433  14.528
  258    HE2  TYR  93           HE1      TYR  93  13.104   0.641  13.271
  259    HH   TYR  93           HH       TYR  93  13.725   2.235  15.358
  260    H    GLY  94           HN       GLY  94  12.390   3.312   7.347
  261   1HA   GLY  94           HA2      GLY  94  15.041   2.459   7.872
  262   2HA   GLY  94           HA1      GLY  94  14.356   2.655   6.258
  263    H    ILE  95           HN       ILE  95  13.863   5.351   6.162
  264    HA   ILE  95           HA       ILE  95  16.400   6.443   5.501
  265    HB   ILE  95           HB       ILE  95  13.650   7.571   5.883
  266   1HG1  ILE  95          HG12      ILE  95  14.408   6.622   3.718
  267   2HG1  ILE  95          HG11      ILE  95  14.064   8.345   3.580
  268   1HG2  ILE  95          HG21      ILE  95  16.166   9.118   6.206
  269   2HG2  ILE  95          HG23      ILE  95  14.960   9.814   5.122
  270   3HG2  ILE  95          HG22      ILE  95  14.543   9.469   6.801
  271   1HD1  ILE  95          HD13      ILE  95  16.646   8.536   4.226
  272   2HD1  ILE  95          HD12      ILE  95  16.689   6.926   3.507
  273   3HD1  ILE  95          HD11      ILE  95  16.129   8.301   2.556
  274    H    ARG  96           HN       ARG  96  14.414   6.939   8.436
  275    HA   ARG  96           HA       ARG  96  16.175   8.722   9.761
  276   1HB   ARG  96           HB2      ARG  96  14.146   6.718  10.719
  277   2HB   ARG  96           HB1      ARG  96  15.181   7.540  11.886
  278   1HG   ARG  96           HG2      ARG  96  14.009   9.454  11.694
  279   2HG   ARG  96           HG1      ARG  96  14.119   9.412   9.935
  280   1HD   ARG  96           HD2      ARG  96  11.761   9.305  10.772
  281   2HD   ARG  96           HD1      ARG  96  12.216   7.905   9.800
  282    HE   ARG  96           HE       ARG  96  12.782   7.128  12.403
  283   1HH1  ARG  96          HH21      ARG  96  10.377   6.525  10.370
  284   2HH1  ARG  96          HH22      ARG  96   9.072   6.554  11.509
  285   1HH2  ARG  96          HH11      ARG  96  10.964   7.978  14.041
  286   2HH2  ARG  96          HH12      ARG  96   9.405   7.376  13.588
  287    H    ARG  97           HN       ARG  97  16.074   5.151   9.861
  288    HA   ARG  97           HA       ARG  97  18.229   4.784  11.658
  289   1HB   ARG  97           HB2      ARG  97  16.825   2.909  10.997
  290   2HB   ARG  97           HB1      ARG  97  17.349   3.064   9.321
  291   1HG   ARG  97           HG2      ARG  97  19.623   2.861  11.126
  292   2HG   ARG  97           HG1      ARG  97  18.544   1.475  11.292
  293   1HD   ARG  97           HD2      ARG  97  18.612   1.725   8.582
  294   2HD   ARG  97           HD1      ARG  97  20.231   2.291   8.999
  295    HE   ARG  97           HE       ARG  97  19.961  -0.038  10.467
  296   1HH1  ARG  97          HH11      ARG  97  21.237   0.793   7.586
  297   2HH1  ARG  97          HH12      ARG  97  20.958  -0.712   6.776
  298   1HH2  ARG  97          HH21      ARG  97  18.871  -1.961   9.246
  299   2HH2  ARG  97          HH22      ARG  97  19.619  -2.271   7.715
  300    H    LEU  98           HN       LEU  98  18.287   5.019   8.094
  301    HA   LEU  98           HA       LEU  98  21.074   4.654   7.753
  302   1HB   LEU  98           HB2      LEU  98  18.869   5.845   6.192
  303   2HB   LEU  98           HB1      LEU  98  20.465   6.489   5.808
  304    HG   LEU  98           HG       LEU  98  20.054   3.518   6.044
  305   1HD1  LEU  98          HD13      LEU  98  19.074   5.342   3.917
  306   2HD1  LEU  98          HD12      LEU  98  19.952   3.916   3.364
  307   3HD1  LEU  98          HD11      LEU  98  18.512   3.732   4.365
  308   1HD2  LEU  98          HD22      LEU  98  22.280   5.043   5.710
  309   2HD2  LEU  98          HD21      LEU  98  22.126   3.402   5.079
  310   3HD2  LEU  98          HD23      LEU  98  21.823   4.784   4.025
  311    H    ILE  99           HN       ILE  99  19.233   7.659   8.294
  312    HA   ILE  99           HA       ILE  99  21.605   9.327   8.370
  313    HB   ILE  99           HB       ILE  99  20.043  11.040   9.274
  314   1HG1  ILE  99          HG12      ILE  99  18.022   8.776   9.170
  315   2HG1  ILE  99          HG11      ILE  99  18.711   9.434  10.654
  316   1HG2  ILE  99          HG22      ILE  99  19.683   9.514   6.797
  317   2HG2  ILE  99          HG21      ILE  99  18.224  10.370   7.292
  318   3HG2  ILE  99          HG23      ILE  99  19.726  11.261   7.042
  319   1HD1  ILE  99          HD13      ILE  99  17.847  11.702   9.316
  320   2HD1  ILE  99          HD12      ILE  99  16.590  10.520   8.947
  321   3HD1  ILE  99          HD11      ILE  99  16.982  10.894  10.625
  322    H    LYS 100           HN       LYS 100  20.129   7.187  10.605
  323    HA   LYS 100           HA       LYS 100  21.746   8.401  12.812
  324   1HB   LYS 100           HB2      LYS 100  18.932   7.677  12.702
  325   2HB   LYS 100           HB1      LYS 100  19.763   6.796  13.986
  326   1HG   LYS 100           HG2      LYS 100  20.820   9.301  14.295
  327   2HG   LYS 100           HG1      LYS 100  19.184   9.682  13.756
  328   1HD   LYS 100           HD2      LYS 100  18.711   9.443  15.985
  329   2HD   LYS 100           HD1      LYS 100  18.623   7.737  15.547
  330   1HE   LYS 100           HE2      LYS 100  20.097   7.649  17.343
  331   2HE   LYS 100           HE1      LYS 100  21.223   7.800  15.994
  332   1HZ   LYS 100           HZ3      LYS 100  20.978  10.299  16.388
  333   2HZ   LYS 100           HZ2      LYS 100  20.340   9.870  17.904
  334   3HZ   LYS 100           HZ1      LYS 100  21.921   9.412  17.485
  335    H    LYS 101           HN       LYS 101  21.478   6.274  14.623
  336    HA   LYS 101           HA       LYS 101  22.676   4.309  15.136
  337   1HB   LYS 101           HB2      LYS 101  20.897   3.738  12.824
  338   2HB   LYS 101           HB1      LYS 101  22.150   2.541  13.157
  339   1HG   LYS 101           HG2      LYS 101  21.139   1.843  15.061
  340   2HG   LYS 101           HG1      LYS 101  20.769   3.490  15.570
  341   1HD   LYS 101           HD2      LYS 101  19.261   2.227  13.291
  342   2HD   LYS 101           HD1      LYS 101  18.789   1.910  14.961
  343   1HE   LYS 101           HE2      LYS 101  18.711   4.410  15.321
  344   2HE   LYS 101           HE1      LYS 101  18.944   4.604  13.584
  345   1HZ   LYS 101           HZ3      LYS 101  16.942   2.796  13.730
  346   2HZ   LYS 101           HZ2      LYS 101  16.597   3.814  15.046
  347   3HZ   LYS 101           HZ1      LYS 101  16.735   4.460  13.481
  348   1H    VAL  62           HT2      VAL  62  -2.157 -25.356  21.288
  349   2H    VAL  62           HT1      VAL  62  -1.468 -26.878  20.980
  350   3H    VAL  62           HT3      VAL  62  -1.330 -26.182  22.520
  351    HA   VAL  62           HA       VAL  62   0.471 -25.033  21.969
  352    HB   VAL  62           HB       VAL  62   1.723 -25.865  20.064
  353   1HG1  VAL  62          HG11      VAL  62   0.085 -27.748  21.694
  354   2HG1  VAL  62          HG13      VAL  62   0.977 -28.432  20.335
  355   3HG1  VAL  62          HG12      VAL  62   1.838 -27.567  21.608
  356   1HG2  VAL  62          HG23      VAL  62  -1.015 -26.721  19.115
  357   2HG2  VAL  62          HG22      VAL  62   0.182 -25.744  18.264
  358   3HG2  VAL  62          HG21      VAL  62   0.451 -27.474  18.487
  359    H    GLN  63           HN       GLN  63  -1.933 -24.981  19.364
  360    HA   GLN  63           HA       GLN  63  -1.100 -22.159  18.811
  361   1HB   GLN  63           HB2      GLN  63  -0.643 -23.668  16.900
  362   2HB   GLN  63           HB1      GLN  63  -2.339 -24.153  16.884
  363   1HG   GLN  63           HG2      GLN  63  -1.907 -22.400  15.201
  364   2HG   GLN  63           HG1      GLN  63  -3.005 -21.815  16.452
  365   1HE2  GLN  63          HE22      GLN  63  -0.874 -19.047  16.914
  366   2HE2  GLN  63          HE21      GLN  63  -2.446 -19.610  16.610
  367    H    LEU  64           HN       LEU  64  -2.917 -20.733  18.171
  368    HA   LEU  64           HA       LEU  64  -5.651 -21.665  18.631
  369   1HB   LEU  64           HB2      LEU  64  -5.911 -19.811  20.456
  370   2HB   LEU  64           HB1      LEU  64  -5.275 -21.391  20.924
  371    HG   LEU  64           HG       LEU  64  -3.091 -19.772  20.016
  372   1HD1  LEU  64          HD12      LEU  64  -5.107 -18.148  21.031
  373   2HD1  LEU  64          HD11      LEU  64  -4.052 -18.415  22.418
  374   3HD1  LEU  64          HD13      LEU  64  -3.396 -17.730  20.933
  375   1HD2  LEU  64          HD22      LEU  64  -3.703 -21.618  22.024
  376   2HD2  LEU  64          HD21      LEU  64  -2.145 -20.828  21.779
  377   3HD2  LEU  64          HD23      LEU  64  -3.318 -20.138  22.901
  378    H    ALA  65           HN       ALA  65  -4.173 -20.293  16.495
  379    HA   ALA  65           HA       ALA  65  -5.579 -17.661  16.572
  380   1HB   ALA  65           HB1      ALA  65  -3.053 -18.543  15.162
  381   2HB   ALA  65           HB3      ALA  65  -3.922 -17.084  14.688
  382   3HB   ALA  65           HB2      ALA  65  -3.258 -17.225  16.315
  383    H    HIS  66           HN       HIS  66  -5.209 -20.671  14.841
  384    HA   HIS  66           HA       HIS  66  -6.419 -21.549  13.032
  385   1HB   HIS  66           HB2      HIS  66  -8.270 -19.244  13.717
  386   2HB   HIS  66           HB1      HIS  66  -8.672 -20.579  12.637
  387    HD1  HIS  66           HD1      HIS  66  -8.967 -22.946  13.712
  388    HD2  HIS  66           HD2      HIS  66  -8.318 -19.890  16.472
  389    HE1  HIS  66           HE1      HIS  66  -9.543 -23.900  15.987
  390    H    HIS  67           HN       HIS  67  -6.021 -21.341  10.869
  391    HA   HIS  67           HA       HIS  67  -5.745 -18.579   9.762
  392   1HB   HIS  67           HB2      HIS  67  -3.810 -20.874   9.639
  393   2HB   HIS  67           HB1      HIS  67  -3.885 -19.731   8.297
  394    HD1  HIS  67           HD1      HIS  67  -3.842 -19.407  12.110
  395    HD2  HIS  67           HD2      HIS  67  -2.105 -17.679   8.737
  396    HE1  HIS  67           HE1      HIS  67  -2.286 -17.595  12.954
  397    H    PHE  68           HN       PHE  68  -7.333 -18.414   8.255
  398    HA   PHE  68           HA       PHE  68  -7.665 -20.671   6.334
  399   1HB   PHE  68           HB2      PHE  68 -10.182 -20.087   6.412
  400   2HB   PHE  68           HB1      PHE  68  -9.527 -21.013   7.762
  401    HD1  PHE  68           HD1      PHE  68 -10.195 -17.494   6.669
  402    HD2  PHE  68           HD2      PHE  68  -9.768 -20.224   9.958
  403    HE1  PHE  68           HE1      PHE  68 -10.899 -15.710   8.240
  404    HE2  PHE  68           HE2      PHE  68 -10.473 -18.439  11.529
  405    HZ   PHE  68           HZ       PHE  68 -11.038 -16.182  10.671
  406    H    SER  69           HN       SER  69  -8.417 -19.981   4.234
  407    HA   SER  69           HA       SER  69  -8.311 -17.019   3.820
  408   1HB   SER  69           HB2      SER  69  -6.755 -19.176   2.586
  409   2HB   SER  69           HB1      SER  69  -7.542 -18.137   1.404
  410    HG   SER  69           HG       SER  69  -6.334 -16.876   3.563
  411    H    GLU  70           HN       GLU  70 -10.179 -16.261   2.966
  412    HA   GLU  70           HA       GLU  70 -11.565 -17.136   0.747
  413   1HB   GLU  70           HB2      GLU  70 -11.925 -18.973   2.960
  414   2HB   GLU  70           HB1      GLU  70 -13.468 -18.267   2.478
  415   1HG   GLU  70           HG2      GLU  70 -11.483 -19.652   0.651
  416   2HG   GLU  70           HG1      GLU  70 -13.052 -20.280   1.157
  417    HA   PRO  71           HA       PRO  71 -14.694 -14.845   3.678
  418   1HB   PRO  71           HB2      PRO  71 -13.211 -14.033   6.012
  419   2HB   PRO  71           HB1      PRO  71 -14.641 -15.069   5.927
  420   1HG   PRO  71           HG2      PRO  71 -11.950 -15.874   6.502
  421   2HG   PRO  71           HG1      PRO  71 -13.369 -16.914   6.334
  422   1HD   PRO  71           HD2      PRO  71 -11.151 -16.604   4.506
  423   2HD   PRO  71           HD1      PRO  71 -12.533 -17.709   4.370
  424    H    GLU  72           HN       GLU  72 -14.802 -12.471   4.280
  425    HA   GLU  72           HA       GLU  72 -13.423 -10.850   2.454
  426   1HB   GLU  72           HB2      GLU  72 -14.117  -8.938   3.935
  427   2HB   GLU  72           HB1      GLU  72 -15.433 -10.046   3.546
  428   1HG   GLU  72           HG2      GLU  72 -15.050 -11.217   5.707
  429   2HG   GLU  72           HG1      GLU  72 -13.802 -10.035   6.102
  430    H    ILE  73           HN       ILE  73 -12.629 -11.468   5.890
  431    HA   ILE  73           HA       ILE  73 -10.489  -9.736   6.223
  432    HB   ILE  73           HB       ILE  73 -11.416 -11.381   7.917
  433   1HG1  ILE  73          HG12      ILE  73  -8.918 -11.906   8.707
  434   2HG1  ILE  73          HG11      ILE  73  -8.543 -10.770   7.408
  435   1HG2  ILE  73          HG22      ILE  73 -11.193 -13.363   6.371
  436   2HG2  ILE  73          HG21      ILE  73  -9.445 -13.261   6.582
  437   3HG2  ILE  73          HG23      ILE  73 -10.481 -13.617   7.964
  438   1HD1  ILE  73          HD11      ILE  73 -10.709  -9.631   8.795
  439   2HD1  ILE  73          HD13      ILE  73  -9.615 -10.226  10.045
  440   3HD1  ILE  73          HD12      ILE  73  -9.029  -9.092   8.828
  441    H    THR  74           HN       THR  74 -10.386 -12.975   4.706
  442    HA   THR  74           HA       THR  74  -7.590 -12.933   4.161
  443    HB   THR  74           HB       THR  74  -9.522 -14.800   3.865
  444    HG1  THR  74           HG1      THR  74  -7.021 -14.566   2.570
  445   1HG2  THR  74          HG23      THR  74  -8.943 -13.770   1.073
  446   2HG2  THR  74          HG22      THR  74  -9.711 -15.316   1.428
  447   3HG2  THR  74          HG21      THR  74 -10.515 -13.811   1.868
  448    H    LEU  75           HN       LEU  75 -10.370 -11.901   2.157
  449    HA   LEU  75           HA       LEU  75  -8.754 -11.024  -0.059
  450   1HB   LEU  75           HB2      LEU  75 -11.370 -11.329   0.146
  451   2HB   LEU  75           HB1      LEU  75 -11.325  -9.634   0.637
  452    HG   LEU  75           HG       LEU  75 -10.393 -10.841  -1.973
  453   1HD1  LEU  75          HD13      LEU  75 -12.764  -9.574  -1.115
  454   2HD1  LEU  75          HD12      LEU  75 -11.910  -8.384  -2.100
  455   3HD1  LEU  75          HD11      LEU  75 -12.305  -9.967  -2.772
  456   1HD2  LEU  75          HD22      LEU  75  -9.746  -8.156  -0.736
  457   2HD2  LEU  75          HD21      LEU  75  -8.623  -9.343  -1.402
  458   3HD2  LEU  75          HD23      LEU  75  -9.681  -8.428  -2.477
  459    H    ILE  76           HN       ILE  76 -10.084  -9.227   2.739
  460    HA   ILE  76           HA       ILE  76  -9.025  -6.689   2.042
  461    HB   ILE  76           HB       ILE  76  -9.367  -7.897   4.808
  462   1HG1  ILE  76          HG12      ILE  76 -11.256  -6.053   3.334
  463   2HG1  ILE  76          HG11      ILE  76 -11.384  -7.807   3.204
  464   1HG2  ILE  76          HG22      ILE  76  -7.931  -5.822   4.637
  465   2HG2  ILE  76          HG21      ILE  76  -9.331  -4.986   3.964
  466   3HG2  ILE  76          HG23      ILE  76  -9.388  -5.618   5.610
  467   1HD1  ILE  76          HD11      ILE  76 -11.226  -6.525   5.916
  468   2HD1  ILE  76          HD13      ILE  76 -12.763  -6.557   5.051
  469   3HD1  ILE  76          HD12      ILE  76 -11.947  -8.067   5.457
  470    H    ILE  77           HN       ILE  77  -7.595  -9.331   3.986
  471    HA   ILE  77           HA       ILE  77  -5.097  -8.070   4.498
  472    HB   ILE  77           HB       ILE  77  -5.844 -10.985   4.135
  473   1HG1  ILE  77          HG12      ILE  77  -4.971  -9.528   6.636
  474   2HG1  ILE  77          HG11      ILE  77  -6.658  -9.553   6.122
  475   1HG2  ILE  77          HG23      ILE  77  -3.204  -9.693   4.347
  476   2HG2  ILE  77          HG22      ILE  77  -3.481 -10.964   5.537
  477   3HG2  ILE  77          HG21      ILE  77  -3.618 -11.322   3.816
  478   1HD1  ILE  77          HD13      ILE  77  -6.600 -12.035   6.111
  479   2HD1  ILE  77          HD12      ILE  77  -4.933 -11.984   6.683
  480   3HD1  ILE  77          HD11      ILE  77  -6.235 -11.379   7.707
  481    H    PHE  78           HN       PHE  78  -6.132 -10.155   1.797
  482    HA   PHE  78           HA       PHE  78  -3.698 -10.149   0.346
  483   1HB   PHE  78           HB2      PHE  78  -6.585 -10.454  -0.435
  484   2HB   PHE  78           HB1      PHE  78  -5.355 -10.322  -1.691
  485    HD1  PHE  78           HD1      PHE  78  -4.705 -11.808   1.626
  486    HD2  PHE  78           HD2      PHE  78  -5.564 -12.597  -2.508
  487    HE1  PHE  78           HE1      PHE  78  -4.102 -14.191   1.956
  488    HE2  PHE  78           HE2      PHE  78  -4.963 -14.981  -2.178
  489    HZ   PHE  78           HZ       PHE  78  -4.231 -15.777   0.054
  490    H    GLY  79           HN       GLY  79  -6.468  -7.892   0.144
  491   1HA   GLY  79           HA2      GLY  79  -5.409  -6.223  -1.892
  492   2HA   GLY  79           HA1      GLY  79  -6.527  -5.671  -0.642
  493    H    VAL  80           HN       VAL  80  -5.031  -5.999   1.661
  494    HA   VAL  80           HA       VAL  80  -3.380  -3.690   1.702
  495    HB   VAL  80           HB       VAL  80  -3.313  -6.109   3.530
  496   1HG1  VAL  80          HG11      VAL  80  -1.293  -4.694   3.714
  497   2HG1  VAL  80          HG13      VAL  80  -2.312  -3.274   3.942
  498   3HG1  VAL  80          HG12      VAL  80  -2.300  -4.555   5.155
  499   1HG2  VAL  80          HG22      VAL  80  -5.420  -4.416   3.078
  500   2HG2  VAL  80          HG21      VAL  80  -5.122  -5.231   4.613
  501   3HG2  VAL  80          HG23      VAL  80  -4.578  -3.571   4.378
  502    H    MET  81           HN       MET  81  -2.496  -7.136   1.480
  503    HA   MET  81           HA       MET  81   0.317  -6.795   1.328
  504   1HB   MET  81           HB2      MET  81  -1.437  -8.884  -0.001
  505   2HB   MET  81           HB1      MET  81   0.317  -8.995   0.161
  506   1HG   MET  81           HG2      MET  81  -0.922  -8.365   2.710
  507   2HG   MET  81           HG1      MET  81  -1.594  -9.848   2.033
  508   1HE   MET  81           HE2      MET  81  -0.925 -11.623   3.197
  509   2HE   MET  81           HE1      MET  81  -0.202 -12.107   1.664
  510   3HE   MET  81           HE3      MET  81   0.676 -12.357   3.180
  511    H    ALA  82           HN       ALA  82  -2.121  -6.894  -1.274
  512    HA   ALA  82           HA       ALA  82  -0.346  -6.584  -3.451
  513   1HB   ALA  82           HB3      ALA  82  -3.223  -6.328  -3.016
  514   2HB   ALA  82           HB2      ALA  82  -2.627  -5.166  -4.206
  515   3HB   ALA  82           HB1      ALA  82  -2.347  -6.890  -4.439
  516    H    GLY  83           HN       GLY  83  -1.961  -4.030  -1.489
  517   1HA   GLY  83           HA2      GLY  83  -0.938  -1.819  -2.937
  518   2HA   GLY  83           HA1      GLY  83  -1.342  -1.783  -1.217
  519    H    VAL  84           HN       VAL  84   0.458  -3.590  -0.161
  520    HA   VAL  84           HA       VAL  84   2.837  -2.066   0.083
  521    HB   VAL  84           HB       VAL  84   2.486  -5.049   0.503
  522   1HG1  VAL  84          HG11      VAL  84   4.646  -3.076   1.135
  523   2HG1  VAL  84          HG13      VAL  84   4.323  -4.360   2.300
  524   3HG1  VAL  84          HG12      VAL  84   4.781  -4.765   0.646
  525   1HG2  VAL  84          HG23      VAL  84   1.354  -2.784   1.846
  526   2HG2  VAL  84          HG22      VAL  84   1.203  -4.490   2.269
  527   3HG2  VAL  84          HG21      VAL  84   2.533  -3.534   2.922
  528    H    ILE  85           HN       ILE  85   2.208  -4.970  -1.923
  529    HA   ILE  85           HA       ILE  85   4.792  -5.186  -3.057
  530    HB   ILE  85           HB       ILE  85   2.111  -5.781  -4.346
  531   1HG1  ILE  85          HG12      ILE  85   4.020  -7.685  -2.967
  532   2HG1  ILE  85          HG11      ILE  85   2.684  -6.904  -2.119
  533   1HG2  ILE  85          HG23      ILE  85   4.534  -5.664  -5.606
  534   2HG2  ILE  85          HG22      ILE  85   4.518  -7.341  -5.060
  535   3HG2  ILE  85          HG21      ILE  85   3.221  -6.737  -6.091
  536   1HD1  ILE  85          HD11      ILE  85   1.268  -7.815  -4.156
  537   2HD1  ILE  85          HD13      ILE  85   2.599  -8.963  -4.297
  538   3HD1  ILE  85          HD12      ILE  85   1.665  -8.878  -2.805
  539    H    GLY  86           HN       GLY  86   1.964  -3.326  -4.242
  540   1HA   GLY  86           HA2      GLY  86   3.179  -2.279  -6.576
  541   2HA   GLY  86           HA1      GLY  86   1.890  -1.473  -5.679
  542    H    THR  87           HN       THR  87   3.104  -0.952  -3.263
  543    HA   THR  87           HA       THR  87   4.589   1.406  -3.772
  544    HB   THR  87           HB       THR  87   4.726  -0.283  -1.258
  545    HG1  THR  87           HG1      THR  87   2.579   0.158  -1.859
  546   1HG2  THR  87          HG22      THR  87   5.415   2.542  -1.991
  547   2HG2  THR  87          HG21      THR  87   4.849   2.196  -0.358
  548   3HG2  THR  87          HG23      THR  87   6.301   1.407  -0.974
  549    H    ILE  88           HN       ILE  88   5.741  -1.847  -2.836
  550    HA   ILE  88           HA       ILE  88   8.504  -1.237  -2.738
  551    HB   ILE  88           HB       ILE  88   7.048  -3.777  -3.506
  552   1HG1  ILE  88          HG12      ILE  88   8.576  -2.909  -1.029
  553   2HG1  ILE  88          HG11      ILE  88   6.821  -3.020  -1.167
  554   1HG2  ILE  88          HG23      ILE  88   9.965  -3.110  -3.465
  555   2HG2  ILE  88          HG22      ILE  88   9.467  -4.693  -2.868
  556   3HG2  ILE  88          HG21      ILE  88   9.083  -4.213  -4.522
  557   1HD1  ILE  88          HD13      ILE  88   8.379  -5.447  -1.905
  558   2HD1  ILE  88          HD12      ILE  88   8.310  -5.035  -0.192
  559   3HD1  ILE  88          HD11      ILE  88   6.820  -5.315  -1.092
  560    H    LEU  89           HN       LEU  89   6.515  -2.320  -5.510
  561    HA   LEU  89           HA       LEU  89   8.606  -2.355  -7.426
  562   1HB   LEU  89           HB2      LEU  89   6.823  -3.136  -8.584
  563   2HB   LEU  89           HB1      LEU  89   5.698  -2.441  -7.424
  564    HG   LEU  89           HG       LEU  89   5.979  -0.227  -8.580
  565   1HD1  LEU  89          HD13      LEU  89   8.207  -1.326  -9.674
  566   2HD1  LEU  89          HD12      LEU  89   7.058  -1.591 -10.986
  567   3HD1  LEU  89          HD11      LEU  89   7.354   0.042 -10.390
  568   1HD2  LEU  89          HD21      LEU  89   4.919  -2.654 -10.032
  569   2HD2  LEU  89          HD23      LEU  89   4.015  -1.404  -9.175
  570   3HD2  LEU  89          HD22      LEU  89   4.766  -1.040 -10.729
  571    H    LEU  90           HN       LEU  90   6.433   0.292  -6.423
  572    HA   LEU  90           HA       LEU  90   7.471   2.309  -8.141
  573   1HB   LEU  90           HB2      LEU  90   5.463   2.351  -6.417
  574   2HB   LEU  90           HB1      LEU  90   6.693   2.976  -5.317
  575    HG   LEU  90           HG       LEU  90   7.264   4.698  -7.076
  576   1HD1  LEU  90          HD11      LEU  90   5.432   3.075  -8.577
  577   2HD1  LEU  90          HD13      LEU  90   4.771   4.705  -8.447
  578   3HD1  LEU  90          HD12      LEU  90   6.378   4.457  -9.130
  579   1HD2  LEU  90          HD21      LEU  90   5.149   4.619  -5.208
  580   2HD2  LEU  90          HD23      LEU  90   5.896   6.057  -5.903
  581   3HD2  LEU  90          HD22      LEU  90   4.471   5.349  -6.663
  582    H    ILE  91           HN       ILE  91   8.479   1.365  -4.844
  583    HA   ILE  91           HA       ILE  91  10.564   3.260  -4.529
  584    HB   ILE  91           HB       ILE  91  10.294   0.427  -3.487
  585   1HG1  ILE  91          HG12      ILE  91  10.018   3.048  -2.004
  586   2HG1  ILE  91          HG11      ILE  91   8.649   2.284  -2.813
  587   1HG2  ILE  91          HG23      ILE  91  12.323   2.585  -2.851
  588   2HG2  ILE  91          HG22      ILE  91  12.026   1.199  -1.803
  589   3HG2  ILE  91          HG21      ILE  91  12.643   0.952  -3.437
  590   1HD1  ILE  91          HD13      ILE  91   9.854   0.211  -1.373
  591   2HD1  ILE  91          HD12      ILE  91   9.905   1.594  -0.280
  592   3HD1  ILE  91          HD11      ILE  91   8.364   1.052  -0.945
  593    H    SER  92           HN       SER  92  10.709  -0.045  -5.914
  594    HA   SER  92           HA       SER  92  13.486  -0.017  -6.496
  595   1HB   SER  92           HB2      SER  92  11.206  -1.312  -8.023
  596   2HB   SER  92           HB1      SER  92  12.910  -1.653  -8.304
  597    HG   SER  92           HG       SER  92  12.995  -2.208  -6.023
  598    H    TYR  93           HN       TYR  93  10.703   1.045  -8.464
  599    HA   TYR  93           HA       TYR  93  12.177   1.951 -10.715
  600   1HB   TYR  93           HB2      TYR  93   9.620   1.785 -10.409
  601   2HB   TYR  93           HB1      TYR  93   9.733   3.367  -9.638
  602    HD1  TYR  93           HD1      TYR  93  11.396   1.789 -12.615
  603    HD2  TYR  93           HD2      TYR  93   9.084   5.068 -11.084
  604    HE1  TYR  93           HE1      TYR  93  11.459   2.874 -14.844
  605    HE2  TYR  93           HE2      TYR  93   9.146   6.153 -13.313
  606    HH   TYR  93           HH       TYR  93   9.870   6.022 -15.398
  607    H    GLY  94           HN       GLY  94  11.199   3.726  -7.755
  608   1HA   GLY  94           HA2      GLY  94  12.370   6.217  -8.431
  609   2HA   GLY  94           HA1      GLY  94  12.132   5.643  -6.778
  610    H    ILE  95           HN       ILE  95  13.769   3.435  -6.677
  611    HA   ILE  95           HA       ILE  95  16.339   4.556  -6.233
  612    HB   ILE  95           HB       ILE  95  15.350   1.724  -6.554
  613   1HG1  ILE  95          HG12      ILE  95  16.639   1.976  -4.146
  614   2HG1  ILE  95          HG11      ILE  95  16.029   3.614  -4.387
  615   1HG2  ILE  95          HG21      ILE  95  18.189   2.708  -6.483
  616   2HG2  ILE  95          HG23      ILE  95  17.777   1.198  -5.671
  617   3HG2  ILE  95          HG22      ILE  95  17.498   1.372  -7.403
  618   1HD1  ILE  95          HD13      ILE  95  14.159   1.359  -4.951
  619   2HD1  ILE  95          HD12      ILE  95  14.526   1.708  -3.261
  620   3HD1  ILE  95          HD11      ILE  95  13.824   2.959  -4.288
  621    H    ARG  96           HN       ARG  96  15.139   2.645  -9.003
  622    HA   ARG  96           HA       ARG  96  17.541   2.595 -10.496
  623   1HB   ARG  96           HB2      ARG  96  14.658   2.721 -11.429
  624   2HB   ARG  96           HB1      ARG  96  16.024   2.392 -12.497
  625   1HG   ARG  96           HG2      ARG  96  16.495   0.607 -10.480
  626   2HG   ARG  96           HG1      ARG  96  14.731   0.640 -10.500
  627   1HD   ARG  96           HD2      ARG  96  15.839   0.567 -13.196
  628   2HD   ARG  96           HD1      ARG  96  16.367  -0.814 -12.234
  629    HE   ARG  96           HE       ARG  96  13.644  -0.676 -11.748
  630   1HH1  ARG  96          HH11      ARG  96  15.342  -2.641 -13.539
  631   2HH1  ARG  96          HH12      ARG  96  14.338  -2.670 -14.949
  632   1HH2  ARG  96          HH21      ARG  96  12.472   0.095 -14.003
  633   2HH2  ARG  96          HH22      ARG  96  12.715  -1.121 -15.212
  634    H    ARG  97           HN       ARG  97  14.906   5.003 -10.538
  635    HA   ARG  97           HA       ARG  97  16.020   6.719 -12.499
  636   1HB   ARG  97           HB2      ARG  97  13.929   6.915 -10.468
  637   2HB   ARG  97           HB1      ARG  97  14.787   8.440 -10.683
  638   1HG   ARG  97           HG2      ARG  97  14.271   7.184 -13.246
  639   2HG   ARG  97           HG1      ARG  97  12.773   7.406 -12.343
  640   1HD   ARG  97           HD2      ARG  97  13.821   9.801 -11.860
  641   2HD   ARG  97           HD1      ARG  97  14.701   9.460 -13.351
  642    HE   ARG  97           HE       ARG  97  12.074   8.873 -13.995
  643   1HH1  ARG  97          HH21      ARG  97  13.924  11.355 -14.679
  644   2HH1  ARG  97          HH22      ARG  97  12.775  12.626 -14.423
  645   1HH2  ARG  97          HH11      ARG  97  10.499  10.596 -12.773
  646   2HH2  ARG  97          HH12      ARG  97  10.837  12.196 -13.343
  647    H    LEU  98           HN       LEU  98  16.453   6.774  -8.956
  648    HA   LEU  98           HA       LEU  98  18.136   9.045  -8.832
  649   1HB   LEU  98           HB2      LEU  98  17.847   6.577  -7.135
  650   2HB   LEU  98           HB1      LEU  98  19.133   7.733  -6.790
  651    HG   LEU  98           HG       LEU  98  16.407   8.849  -7.236
  652   1HD1  LEU  98          HD13      LEU  98  17.128   6.961  -5.048
  653   2HD1  LEU  98          HD12      LEU  98  16.250   8.418  -4.583
  654   3HD1  LEU  98          HD11      LEU  98  15.553   7.307  -5.762
  655   1HD2  LEU  98          HD23      LEU  98  18.870   9.799  -6.383
  656   2HD2  LEU  98          HD22      LEU  98  17.327  10.626  -6.167
  657   3HD2  LEU  98          HD21      LEU  98  17.973   9.615  -4.875
  658    H    ILE  99           HN       ILE  99  18.991   5.609  -9.270
  659    HA   ILE  99           HA       ILE  99  21.824   6.154  -9.555
  660    HB   ILE  99           HB       ILE  99  21.925   3.802 -10.353
  661   1HG1  ILE  99          HG12      ILE  99  18.907   3.894 -10.051
  662   2HG1  ILE  99          HG11      ILE  99  19.746   3.919 -11.602
  663   1HG2  ILE  99          HG22      ILE  99  20.822   4.745  -7.837
  664   2HG2  ILE  99          HG21      ILE  99  20.236   3.125  -8.215
  665   3HG2  ILE  99          HG23      ILE  99  21.969   3.437  -8.126
  666   1HD1  ILE  99          HD12      ILE  99  20.933   1.765 -10.710
  667   2HD1  ILE  99          HD11      ILE  99  19.577   1.690  -9.587
  668   3HD1  ILE  99          HD13      ILE  99  19.286   1.636 -11.326
  669    H    LYS 100           HN       LYS 100  19.102   5.813 -11.789
  670    HA   LYS 100           HA       LYS 100  20.857   5.954 -14.132
  671   1HB   LYS 100           HB2      LYS 100  18.998   5.447 -15.399
  672   2HB   LYS 100           HB1      LYS 100  18.459   4.811 -13.848
  673   1HG   LYS 100           HG2      LYS 100  16.632   6.124 -14.167
  674   2HG   LYS 100           HG1      LYS 100  17.680   7.461 -13.691
  675   1HD   LYS 100           HD2      LYS 100  17.330   8.352 -15.730
  676   2HD   LYS 100           HD1      LYS 100  18.259   7.011 -16.403
  677   1HE   LYS 100           HE2      LYS 100  15.265   7.034 -15.913
  678   2HE   LYS 100           HE1      LYS 100  16.061   7.130 -17.483
  679   1HZ   LYS 100           HZ1      LYS 100  16.918   4.904 -15.871
  680   2HZ   LYS 100           HZ3      LYS 100  15.273   4.848 -16.282
  681   3HZ   LYS 100           HZ2      LYS 100  16.449   4.948 -17.504
  682    H    LYS 101           HN       LYS 101  20.262   8.200 -11.971
  683    HA   LYS 101           HA       LYS 101  19.918  10.546 -11.994
  684   1HB   LYS 101           HB2      LYS 101  21.487  11.650 -13.623
  685   2HB   LYS 101           HB1      LYS 101  22.247  10.398 -12.643
  686   1HG   LYS 101           HG2      LYS 101  21.995   8.783 -14.482
  687   2HG   LYS 101           HG1      LYS 101  21.201  10.015 -15.464
  688   1HD   LYS 101           HD2      LYS 101  23.285  10.474 -16.233
  689   2HD   LYS 101           HD1      LYS 101  23.516  11.291 -14.687
  690   1HE   LYS 101           HE2      LYS 101  23.905   8.428 -14.412
  691   2HE   LYS 101           HE1      LYS 101  24.971   9.092 -15.650
  692   1HZ   LYS 101           HZ1      LYS 101  25.455  10.896 -13.936
  693   2HZ   LYS 101           HZ3      LYS 101  24.769   9.840 -12.801
  694   3HZ   LYS 101           HZ2      LYS 101  26.143   9.364 -13.680
   
  No H/Q in entry =         694
  Start of MODEL    8
    1   1H    VAL  62           HT2      VAL  62 -29.214  12.682  -1.953
    2   2H    VAL  62           HT1      VAL  62 -30.492  13.359  -1.060
    3   3H    VAL  62           HT3      VAL  62 -29.318  14.366  -1.756
    4    HA   VAL  62           HA       VAL  62 -27.643  13.618  -0.281
    5    HB   VAL  62           HB       VAL  62 -28.513  14.410   1.803
    6   1HG1  VAL  62          HG11      VAL  62 -28.744  15.855  -0.412
    7   2HG1  VAL  62          HG13      VAL  62 -30.468  15.697  -0.068
    8   3HG1  VAL  62          HG12      VAL  62 -29.396  16.443   1.118
    9   1HG2  VAL  62          HG22      VAL  62 -31.146  13.387   0.724
   10   2HG2  VAL  62          HG21      VAL  62 -30.338  12.944   2.227
   11   3HG2  VAL  62          HG23      VAL  62 -31.077  14.536   2.059
   12    H    GLN  63           HN       GLN  63 -27.148  12.224   1.657
   13    HA   GLN  63           HA       GLN  63 -26.977  10.081   2.594
   14   1HB   GLN  63           HB2      GLN  63 -29.353  10.807   3.283
   15   2HB   GLN  63           HB1      GLN  63 -29.921   9.782   1.966
   16   1HG   GLN  63           HG2      GLN  63 -29.888   8.587   4.151
   17   2HG   GLN  63           HG1      GLN  63 -28.822   7.836   2.963
   18   1HE2  GLN  63          HE22      GLN  63 -26.232   8.012   5.349
   19   2HE2  GLN  63          HE21      GLN  63 -27.158   7.036   4.316
   20    H    LEU  64           HN       LEU  64 -27.042   7.754   1.994
   21    HA   LEU  64           HA       LEU  64 -27.757   7.227  -0.842
   22   1HB   LEU  64           HB2      LEU  64 -25.387   5.857  -0.635
   23   2HB   LEU  64           HB1      LEU  64 -25.567   7.423  -1.424
   24    HG   LEU  64           HG       LEU  64 -25.079   8.519   0.786
   25   1HD1  LEU  64          HD12      LEU  64 -25.396   5.830   1.692
   26   2HD1  LEU  64          HD11      LEU  64 -23.730   6.313   2.013
   27   3HD1  LEU  64          HD13      LEU  64 -25.065   7.269   2.657
   28   1HD2  LEU  64          HD23      LEU  64 -23.224   6.925  -0.857
   29   2HD2  LEU  64          HD22      LEU  64 -23.101   8.605  -0.334
   30   3HD2  LEU  64          HD21      LEU  64 -22.605   7.305   0.750
   31    H    ALA  65           HN       ALA  65 -27.064   4.700  -1.188
   32    HA   ALA  65           HA       ALA  65 -28.232   3.273   1.164
   33   1HB   ALA  65           HB3      ALA  65 -28.614   2.959  -1.790
   34   2HB   ALA  65           HB2      ALA  65 -28.744   1.530  -0.767
   35   3HB   ALA  65           HB1      ALA  65 -29.812   2.907  -0.496
   36    H    HIS  66           HN       HIS  66 -25.584   3.599   1.391
   37    HA   HIS  66           HA       HIS  66 -24.289   1.191   0.209
   38   1HB   HIS  66           HB2      HIS  66 -23.367   3.845   1.049
   39   2HB   HIS  66           HB1      HIS  66 -22.352   2.540   1.665
   40    HD1  HIS  66           HD1      HIS  66 -22.181   4.687  -0.989
   41    HD2  HIS  66           HD2      HIS  66 -22.281   0.521  -0.872
   42    HE1  HIS  66           HE1      HIS  66 -21.194   3.884  -3.180
   43    H    HIS  67           HN       HIS  67 -25.917   2.104   2.984
   44    HA   HIS  67           HA       HIS  67 -24.296   0.861   5.015
   45   1HB   HIS  67           HB2      HIS  67 -26.058   2.428   5.634
   46   2HB   HIS  67           HB1      HIS  67 -27.280   1.393   4.895
   47    HD1  HIS  67           HD1      HIS  67 -28.265  -0.413   6.341
   48    HD2  HIS  67           HD2      HIS  67 -24.744   1.130   7.953
   49    HE1  HIS  67           HE1      HIS  67 -28.004  -1.465   8.630
   50    H    PHE  68           HN       PHE  68 -23.832  -1.065   3.467
   51    HA   PHE  68           HA       PHE  68 -25.995  -3.067   3.365
   52   1HB   PHE  68           HB2      PHE  68 -23.654  -2.560   1.856
   53   2HB   PHE  68           HB1      PHE  68 -23.406  -4.118   2.645
   54    HD1  PHE  68           HD1      PHE  68 -26.126  -2.223   0.872
   55    HD2  PHE  68           HD2      PHE  68 -24.244  -6.017   1.592
   56    HE1  PHE  68           HE1      PHE  68 -27.663  -3.294  -0.754
   57    HE2  PHE  68           HE2      PHE  68 -25.782  -7.087  -0.034
   58    HZ   PHE  68           HZ       PHE  68 -27.490  -5.725  -1.207
   59    H    SER  69           HN       SER  69 -25.201  -5.400   4.030
   60    HA   SER  69           HA       SER  69 -24.978  -5.531   6.819
   61   1HB   SER  69           HB2      SER  69 -23.911  -7.562   4.835
   62   2HB   SER  69           HB1      SER  69 -24.321  -7.874   6.520
   63    HG   SER  69           HG       SER  69 -26.012  -8.429   5.049
   64    H    GLU  70           HN       GLU  70 -22.296  -6.098   4.501
   65    HA   GLU  70           HA       GLU  70 -20.452  -4.786   6.412
   66   1HB   GLU  70           HB2      GLU  70 -20.603  -7.673   5.948
   67   2HB   GLU  70           HB1      GLU  70 -18.994  -7.016   5.638
   68   1HG   GLU  70           HG2      GLU  70 -20.470  -6.187   8.119
   69   2HG   GLU  70           HG1      GLU  70 -19.651  -7.748   8.078
   70    HA   PRO  71           HA       PRO  71 -19.535  -3.399   2.190
   71   1HB   PRO  71           HB2      PRO  71 -17.763  -1.473   3.401
   72   2HB   PRO  71           HB1      PRO  71 -19.322  -1.180   2.620
   73   1HG   PRO  71           HG2      PRO  71 -18.727  -1.080   5.437
   74   2HG   PRO  71           HG1      PRO  71 -20.287  -0.808   4.649
   75   1HD   PRO  71           HD2      PRO  71 -19.486  -3.079   6.229
   76   2HD   PRO  71           HD1      PRO  71 -21.044  -2.811   5.419
   77    H    GLU  72           HN       GLU  72 -18.343  -5.560   2.173
   78    HA   GLU  72           HA       GLU  72 -15.718  -5.902   3.175
   79   1HB   GLU  72           HB2      GLU  72 -15.476  -7.633   1.413
   80   2HB   GLU  72           HB1      GLU  72 -17.027  -7.760   2.244
   81   1HG   GLU  72           HG2      GLU  72 -17.877  -6.181   0.332
   82   2HG   GLU  72           HG1      GLU  72 -16.445  -6.752  -0.526
   83    H    ILE  73           HN       ILE  73 -16.751  -4.697  -0.040
   84    HA   ILE  73           HA       ILE  73 -14.186  -4.265  -1.116
   85    HB   ILE  73           HB       ILE  73 -16.436  -4.055  -2.285
   86   1HG1  ILE  73          HG12      ILE  73 -15.489  -1.818  -3.475
   87   2HG1  ILE  73          HG11      ILE  73 -14.060  -2.308  -2.563
   88   1HG2  ILE  73          HG23      ILE  73 -17.393  -2.497  -0.558
   89   2HG2  ILE  73          HG22      ILE  73 -16.302  -1.245  -1.152
   90   3HG2  ILE  73          HG21      ILE  73 -17.550  -1.902  -2.211
   91   1HD1  ILE  73          HD13      ILE  73 -14.904  -4.705  -3.586
   92   2HD1  ILE  73          HD12      ILE  73 -15.333  -3.595  -4.889
   93   3HD1  ILE  73          HD11      ILE  73 -13.665  -3.689  -4.324
   94    H    THR  74           HN       THR  74 -16.204  -2.033   0.820
   95    HA   THR  74           HA       THR  74 -14.433   0.179   0.773
   96    HB   THR  74           HB       THR  74 -15.848  -0.394   3.328
   97    HG1  THR  74           HG1      THR  74 -17.800   0.322   2.028
   98   1HG2  THR  74          HG22      THR  74 -14.887   1.842   1.857
   99   2HG2  THR  74          HG21      THR  74 -16.641   1.993   1.956
  100   3HG2  THR  74          HG23      THR  74 -15.685   1.843   3.430
  101    H    LEU  75           HN       LEU  75 -14.613  -2.548   3.068
  102    HA   LEU  75           HA       LEU  75 -12.372  -1.686   4.656
  103   1HB   LEU  75           HB2      LEU  75 -14.222  -3.495   5.140
  104   2HB   LEU  75           HB1      LEU  75 -13.091  -4.585   4.338
  105    HG   LEU  75           HG       LEU  75 -12.620  -2.927   6.824
  106   1HD1  LEU  75          HD12      LEU  75 -13.592  -5.467   6.526
  107   2HD1  LEU  75          HD11      LEU  75 -11.861  -5.778   6.660
  108   3HD1  LEU  75          HD13      LEU  75 -12.703  -4.908   7.943
  109   1HD2  LEU  75          HD21      LEU  75 -10.666  -4.295   4.969
  110   2HD2  LEU  75          HD23      LEU  75 -10.600  -2.653   5.607
  111   3HD2  LEU  75          HD22      LEU  75 -10.288  -4.025   6.670
  112    H    ILE  76           HN       ILE  76 -12.619  -4.051   1.968
  113    HA   ILE  76           HA       ILE  76  -9.896  -4.829   1.976
  114    HB   ILE  76           HB       ILE  76 -11.822  -4.530  -0.352
  115   1HG1  ILE  76          HG12      ILE  76 -10.917  -7.052   1.045
  116   2HG1  ILE  76          HG11      ILE  76 -12.323  -6.139   1.594
  117   1HG2  ILE  76          HG22      ILE  76  -9.281  -4.568  -0.858
  118   2HG2  ILE  76          HG21      ILE  76  -9.339  -6.241  -0.306
  119   3HG2  ILE  76          HG23      ILE  76 -10.303  -5.736  -1.693
  120   1HD1  ILE  76          HD13      ILE  76 -12.237  -6.654  -1.312
  121   2HD1  ILE  76          HD12      ILE  76 -12.427  -8.092  -0.311
  122   3HD1  ILE  76          HD11      ILE  76 -13.590  -6.773  -0.188
  123    H    ILE  77           HN       ILE  77 -11.486  -2.150   0.195
  124    HA   ILE  77           HA       ILE  77  -9.128  -1.149  -1.043
  125    HB   ILE  77           HB       ILE  77 -11.646   0.246  -0.098
  126   1HG1  ILE  77          HG12      ILE  77 -11.723  -1.424  -2.006
  127   2HG1  ILE  77          HG11      ILE  77 -12.243   0.206  -2.436
  128   1HG2  ILE  77          HG23      ILE  77  -9.675   1.800  -0.144
  129   2HG2  ILE  77          HG22      ILE  77  -9.441   1.385  -1.842
  130   3HG2  ILE  77          HG21      ILE  77 -10.915   2.209  -1.329
  131   1HD1  ILE  77          HD12      ILE  77  -9.962   0.681  -3.303
  132   2HD1  ILE  77          HD11      ILE  77  -9.496  -0.980  -2.934
  133   3HD1  ILE  77          HD13      ILE  77 -10.728  -0.660  -4.155
  134    H    PHE  78           HN       PHE  78 -10.619  -0.339   2.089
  135    HA   PHE  78           HA       PHE  78  -8.730   1.592   2.934
  136   1HB   PHE  78           HB2      PHE  78 -10.546  -0.308   4.397
  137   2HB   PHE  78           HB1      PHE  78  -9.393   0.676   5.296
  138    HD1  PHE  78           HD2      PHE  78 -11.086   1.642   2.131
  139    HD2  PHE  78           HD1      PHE  78 -10.882   2.196   6.385
  140    HE1  PHE  78           HE2      PHE  78 -12.600   3.597   1.948
  141    HE2  PHE  78           HE1      PHE  78 -12.396   4.152   6.203
  142    HZ   PHE  78           HZ       PHE  78 -13.255   4.852   3.985
  143    H    GLY  79           HN       GLY  79  -8.716  -1.954   3.479
  144   1HA   GLY  79           HA2      GLY  79  -6.329  -2.043   5.007
  145   2HA   GLY  79           HA1      GLY  79  -6.903  -3.367   3.992
  146    H    VAL  80           HN       VAL  80  -6.749  -2.277   1.460
  147    HA   VAL  80           HA       VAL  80  -4.000  -2.551   0.812
  148    HB   VAL  80           HB       VAL  80  -6.230  -1.183  -0.720
  149   1HG1  VAL  80          HG11      VAL  80  -3.459  -2.072  -1.570
  150   2HG1  VAL  80          HG13      VAL  80  -4.743  -1.634  -2.697
  151   3HG1  VAL  80          HG12      VAL  80  -4.095  -0.428  -1.587
  152   1HG2  VAL  80          HG21      VAL  80  -5.926  -3.852  -0.020
  153   2HG2  VAL  80          HG23      VAL  80  -6.862  -3.260  -1.394
  154   3HG2  VAL  80          HG22      VAL  80  -5.195  -3.783  -1.624
  155    H    MET  81           HN       MET  81  -5.983   0.397   1.154
  156    HA   MET  81           HA       MET  81  -3.936   2.285   0.606
  157   1HB   MET  81           HB2      MET  81  -6.171   2.621   2.627
  158   2HB   MET  81           HB1      MET  81  -5.329   3.898   1.749
  159   1HG   MET  81           HG2      MET  81  -6.332   2.021  -0.161
  160   2HG   MET  81           HG1      MET  81  -7.646   2.443   0.937
  161   1HE   MET  81           HE3      MET  81  -4.591   3.718  -0.686
  162   2HE   MET  81           HE2      MET  81  -4.978   5.257  -1.451
  163   3HE   MET  81           HE1      MET  81  -4.692   5.193   0.285
  164    H    ALA  82           HN       ALA  82  -4.953   0.841   3.703
  165    HA   ALA  82           HA       ALA  82  -3.109   2.199   5.359
  166   1HB   ALA  82           HB3      ALA  82  -4.837  -0.143   5.596
  167   2HB   ALA  82           HB2      ALA  82  -3.332  -0.336   6.500
  168   3HB   ALA  82           HB1      ALA  82  -4.381   1.045   6.815
  169    H    GLY  83           HN       GLY  83  -2.686  -0.919   3.609
  170   1HA   GLY  83           HA2      GLY  83  -0.086  -1.482   4.576
  171   2HA   GLY  83           HA1      GLY  83  -0.697  -2.003   3.004
  172    H    VAL  84           HN       VAL  84  -1.071   0.406   1.688
  173    HA   VAL  84           HA       VAL  84   1.547   1.047   0.799
  174    HB   VAL  84           HB       VAL  84  -0.975   2.726   0.668
  175   1HG1  VAL  84          HG11      VAL  84   1.763   3.013  -0.525
  176   2HG1  VAL  84          HG13      VAL  84   0.363   3.541  -1.459
  177   3HG1  VAL  84          HG12      VAL  84   0.691   4.257   0.118
  178   1HG2  VAL  84          HG21      VAL  84   0.118   0.431  -0.884
  179   2HG2  VAL  84          HG23      VAL  84  -1.559   0.895  -0.593
  180   3HG2  VAL  84          HG22      VAL  84  -0.611   1.739  -1.817
  181    H    ILE  85           HN       ILE  85  -0.566   2.830   3.073
  182    HA   ILE  85           HA       ILE  85   1.207   4.968   3.625
  183    HB   ILE  85           HB       ILE  85  -0.778   3.607   5.474
  184   1HG1  ILE  85          HG12      ILE  85  -1.715   4.494   3.337
  185   2HG1  ILE  85          HG11      ILE  85  -2.300   5.382   4.744
  186   1HG2  ILE  85          HG21      ILE  85   0.953   6.025   5.725
  187   2HG2  ILE  85          HG23      ILE  85  -0.701   6.149   6.325
  188   3HG2  ILE  85          HG22      ILE  85   0.382   4.917   6.973
  189   1HD1  ILE  85          HD12      ILE  85  -0.069   6.818   4.174
  190   2HD1  ILE  85          HD11      ILE  85  -0.510   6.276   2.554
  191   3HD1  ILE  85          HD13      ILE  85  -1.660   7.202   3.518
  192    H    GLY  86           HN       GLY  86   0.893   1.811   5.280
  193   1HA   GLY  86           HA2      GLY  86   2.875   2.222   7.252
  194   2HA   GLY  86           HA1      GLY  86   2.435   0.643   6.600
  195    H    THR  87           HN       THR  87   3.225   0.870   3.956
  196    HA   THR  87           HA       THR  87   6.000   0.334   4.089
  197    HB   THR  87           HB       THR  87   4.356   1.263   1.715
  198    HG1  THR  87           HG1      THR  87   3.667  -0.676   2.727
  199   1HG2  THR  87          HG22      THR  87   7.163   0.248   2.013
  200   2HG2  THR  87          HG21      THR  87   6.251  -0.154   0.559
  201   3HG2  THR  87          HG23      THR  87   6.548   1.534   0.975
  202    H    ILE  88           HN       ILE  88   4.329   3.335   3.063
  203    HA   ILE  88           HA       ILE  88   6.663   4.835   2.461
  204    HB   ILE  88           HB       ILE  88   4.070   5.833   3.682
  205   1HG1  ILE  88          HG12      ILE  88   4.944   5.519   0.791
  206   2HG1  ILE  88          HG11      ILE  88   3.707   4.560   1.606
  207   1HG2  ILE  88          HG22      ILE  88   6.468   7.156   2.462
  208   2HG2  ILE  88          HG21      ILE  88   4.880   7.877   2.207
  209   3HG2  ILE  88          HG23      ILE  88   5.497   7.661   3.845
  210   1HD1  ILE  88          HD12      ILE  88   2.567   6.828   2.111
  211   2HD1  ILE  88          HD11      ILE  88   3.626   7.482   0.863
  212   3HD1  ILE  88          HD13      ILE  88   2.469   6.213   0.462
  213    H    LEU  89           HN       LEU  89   4.896   4.514   5.544
  214    HA   LEU  89           HA       LEU  89   6.564   6.203   7.090
  215   1HB   LEU  89           HB2      LEU  89   5.009   5.646   8.620
  216   2HB   LEU  89           HB1      LEU  89   4.403   4.389   7.551
  217    HG   LEU  89           HG       LEU  89   6.202   2.865   8.468
  218   1HD1  LEU  89          HD13      LEU  89   6.893   5.367   9.807
  219   2HD1  LEU  89          HD12      LEU  89   6.697   4.036  10.946
  220   3HD1  LEU  89          HD11      LEU  89   7.851   3.898   9.619
  221   1HD2  LEU  89          HD22      LEU  89   3.709   3.592   9.519
  222   2HD2  LEU  89          HD21      LEU  89   4.614   2.125   9.894
  223   3HD2  LEU  89          HD23      LEU  89   4.785   3.551  10.917
  224    H    LEU  90           HN       LEU  90   6.824   2.696   6.477
  225    HA   LEU  90           HA       LEU  90   9.131   2.206   8.058
  226   1HB   LEU  90           HB2      LEU  90   7.942   0.336   7.114
  227   2HB   LEU  90           HB1      LEU  90   8.195   0.929   5.471
  228    HG   LEU  90           HG       LEU  90  10.656   0.664   5.800
  229   1HD1  LEU  90          HD11      LEU  90  10.163   0.691   8.437
  230   2HD1  LEU  90          HD13      LEU  90  10.151  -1.054   8.186
  231   3HD1  LEU  90          HD12      LEU  90  11.580  -0.111   7.762
  232   1HD2  LEU  90          HD22      LEU  90   8.690  -1.574   5.895
  233   2HD2  LEU  90          HD21      LEU  90   9.895  -1.189   4.666
  234   3HD2  LEU  90          HD23      LEU  90  10.382  -1.993   6.158
  235    H    ILE  91           HN       ILE  91   8.905   3.182   4.628
  236    HA   ILE  91           HA       ILE  91  11.687   3.250   4.084
  237    HB   ILE  91           HB       ILE  91   9.564   5.130   3.000
  238   1HG1  ILE  91          HG12      ILE  91  10.509   2.515   1.803
  239   2HG1  ILE  91          HG11      ILE  91   9.093   2.615   2.851
  240   1HG2  ILE  91          HG23      ILE  91  12.268   5.260   2.645
  241   2HG2  ILE  91          HG22      ILE  91  11.810   4.185   1.323
  242   3HG2  ILE  91          HG21      ILE  91  11.092   5.791   1.443
  243   1HD1  ILE  91          HD11      ILE  91   8.095   4.292   1.322
  244   2HD1  ILE  91          HD13      ILE  91   9.496   4.143   0.262
  245   3HD1  ILE  91          HD12      ILE  91   8.416   2.768   0.494
  246    H    SER  92           HN       SER  92   9.567   5.851   5.349
  247    HA   SER  92           HA       SER  92  11.578   7.841   5.522
  248   1HB   SER  92           HB2      SER  92   9.813   7.941   7.817
  249   2HB   SER  92           HB1      SER  92   9.891   9.027   6.433
  250    HG   SER  92           HG       SER  92   7.941   7.503   6.924
  251    H    TYR  93           HN       TYR  93  10.583   5.393   7.941
  252    HA   TYR  93           HA       TYR  93  12.469   6.119   9.938
  253   1HB   TYR  93           HB2      TYR  93  10.558   4.152   9.680
  254   2HB   TYR  93           HB1      TYR  93  12.056   3.221   9.641
  255    HD1  TYR  93           HD2      TYR  93  13.743   3.511  11.499
  256    HD2  TYR  93           HD1      TYR  93   9.782   5.159  11.696
  257    HE1  TYR  93           HE2      TYR  93  13.977   3.780  13.955
  258    HE2  TYR  93           HE1      TYR  93  10.015   5.428  14.150
  259    HH   TYR  93           HH       TYR  93  11.260   4.744  15.962
  260    H    GLY  94           HN       GLY  94  12.783   3.781   7.245
  261   1HA   GLY  94           HA2      GLY  94  15.424   2.933   7.786
  262   2HA   GLY  94           HA1      GLY  94  14.691   2.943   6.184
  263    H    ILE  95           HN       ILE  95  14.323   5.652   5.722
  264    HA   ILE  95           HA       ILE  95  16.923   6.466   4.904
  265    HB   ILE  95           HB       ILE  95  15.944   8.335   4.003
  266   1HG1  ILE  95          HG12      ILE  95  14.072   8.558   6.381
  267   2HG1  ILE  95          HG11      ILE  95  15.598   9.423   6.230
  268   1HG2  ILE  95          HG22      ILE  95  14.342   6.154   3.931
  269   2HG2  ILE  95          HG21      ILE  95  13.238   7.325   4.652
  270   3HG2  ILE  95          HG23      ILE  95  13.976   7.657   3.086
  271   1HD1  ILE  95          HD11      ILE  95  14.766  10.438   4.108
  272   2HD1  ILE  95          HD13      ILE  95  13.213   9.645   4.372
  273   3HD1  ILE  95          HD12      ILE  95  13.778  10.875   5.502
  274    H    ARG  96           HN       ARG  96  15.028   7.482   7.746
  275    HA   ARG  96           HA       ARG  96  16.915   9.299   8.827
  276   1HB   ARG  96           HB2      ARG  96  14.940   7.455  10.200
  277   2HB   ARG  96           HB1      ARG  96  15.853   8.708  11.041
  278   1HG   ARG  96           HG2      ARG  96  14.884  10.200   9.031
  279   2HG   ARG  96           HG1      ARG  96  13.610   8.981   9.098
  280   1HD   ARG  96           HD2      ARG  96  14.518  10.110  11.699
  281   2HD   ARG  96           HD1      ARG  96  13.579  11.176  10.655
  282    HE   ARG  96           HE       ARG  96  12.127   8.813  10.674
  283   1HH1  ARG  96          HH21      ARG  96  13.754   9.366  13.455
  284   2HH1  ARG  96          HH22      ARG  96  12.381   9.750  14.439
  285   1HH2  ARG  96          HH11      ARG  96  10.195   9.995  11.757
  286   2HH2  ARG  96          HH12      ARG  96  10.366  10.107  13.477
  287    H    ARG  97           HN       ARG  97  16.585   5.785   9.351
  288    HA   ARG  97           HA       ARG  97  18.734   5.501  11.169
  289   1HB   ARG  97           HB2      ARG  97  16.996   3.737  10.342
  290   2HB   ARG  97           HB1      ARG  97  18.169   3.421   9.062
  291   1HG   ARG  97           HG2      ARG  97  19.116   1.999  10.557
  292   2HG   ARG  97           HG1      ARG  97  19.771   3.461  11.297
  293   1HD   ARG  97           HD2      ARG  97  16.996   2.710  12.065
  294   2HD   ARG  97           HD1      ARG  97  18.291   1.685  12.682
  295    HE   ARG  97           HE       ARG  97  19.176   4.249  13.227
  296   1HH1  ARG  97          HH11      ARG  97  16.379   5.146  13.442
  297   2HH1  ARG  97          HH12      ARG  97  15.973   4.775  15.084
  298   1HH2  ARG  97          HH21      ARG  97  18.634   2.597  15.529
  299   2HH2  ARG  97          HH22      ARG  97  17.249   3.332  16.265
  300    H    LEU  98           HN       LEU  98  18.764   5.326   7.600
  301    HA   LEU  98           HA       LEU  98  21.510   4.736   7.282
  302   1HB   LEU  98           HB2      LEU  98  19.390   5.963   5.613
  303   2HB   LEU  98           HB1      LEU  98  21.046   6.343   5.139
  304    HG   LEU  98           HG       LEU  98  20.312   3.501   5.772
  305   1HD1  LEU  98          HD12      LEU  98  18.667   4.611   4.091
  306   2HD1  LEU  98          HD11      LEU  98  20.044   4.630   2.990
  307   3HD1  LEU  98          HD13      LEU  98  19.440   3.098   3.621
  308   1HD2  LEU  98          HD23      LEU  98  22.563   4.964   4.730
  309   2HD2  LEU  98          HD22      LEU  98  22.453   3.247   5.115
  310   3HD2  LEU  98          HD21      LEU  98  22.001   3.821   3.509
  311    H    ILE  99           HN       ILE  99  19.914   7.936   7.507
  312    HA   ILE  99           HA       ILE  99  22.458   9.349   7.411
  313    HB   ILE  99           HB       ILE  99  21.180  11.332   7.780
  314   1HG1  ILE  99          HG12      ILE  99  18.556  10.302   8.338
  315   2HG1  ILE  99          HG11      ILE  99  19.682   9.645   9.524
  316   1HG2  ILE  99          HG23      ILE  99  20.657   9.718   5.714
  317   2HG2  ILE  99          HG22      ILE  99  19.055   9.714   6.451
  318   3HG2  ILE  99          HG21      ILE  99  19.788  11.236   5.946
  319   1HD1  ILE  99          HD11      ILE  99  20.536  11.964   9.926
  320   2HD1  ILE  99          HD13      ILE  99  19.280  12.571   8.848
  321   3HD1  ILE  99          HD12      ILE  99  18.837  11.768  10.352
  322    H    LYS 100           HN       LYS 100  20.649   7.730   9.843
  323    HA   LYS 100           HA       LYS 100  22.034   9.179  12.032
  324   1HB   LYS 100           HB2      LYS 100  19.506   8.406  11.972
  325   2HB   LYS 100           HB1      LYS 100  20.185   6.862  12.491
  326   1HG   LYS 100           HG2      LYS 100  19.735   7.970  14.523
  327   2HG   LYS 100           HG1      LYS 100  21.456   8.263  14.269
  328   1HD   LYS 100           HD2      LYS 100  20.897  10.454  13.223
  329   2HD   LYS 100           HD1      LYS 100  19.194  10.165  13.585
  330   1HE   LYS 100           HE2      LYS 100  20.540  11.587  15.272
  331   2HE   LYS 100           HE1      LYS 100  19.550  10.279  15.920
  332   1HZ   LYS 100           HZ3      LYS 100  22.367   9.809  15.192
  333   2HZ   LYS 100           HZ2      LYS 100  21.969  10.488  16.697
  334   3HZ   LYS 100           HZ1      LYS 100  21.389   8.948  16.276
  335    H    LYS 101           HN       LYS 101  23.914   8.380  12.815
  336    HA   LYS 101           HA       LYS 101  24.367   5.637  13.436
  337   1HB   LYS 101           HB2      LYS 101  24.509   5.181  11.083
  338   2HB   LYS 101           HB1      LYS 101  25.525   6.596  10.807
  339   1HG   LYS 101           HG2      LYS 101  27.412   5.590  11.691
  340   2HG   LYS 101           HG1      LYS 101  26.480   4.538  12.756
  341   1HD   LYS 101           HD2      LYS 101  26.100   2.968  11.105
  342   2HD   LYS 101           HD1      LYS 101  26.173   4.161   9.808
  343   1HE   LYS 101           HE2      LYS 101  28.710   4.343  10.722
  344   2HE   LYS 101           HE1      LYS 101  28.373   2.657  11.120
  345   1HZ   LYS 101           HZ3      LYS 101  27.446   2.588   8.726
  346   2HZ   LYS 101           HZ2      LYS 101  28.401   3.974   8.489
  347   3HZ   LYS 101           HZ1      LYS 101  29.124   2.512   8.967
  348   1H    VAL  62           HT1      VAL  62 -26.632 -11.634 -19.782
  349   2H    VAL  62           HT3      VAL  62 -27.303 -13.129 -20.219
  350   3H    VAL  62           HT2      VAL  62 -26.666 -12.104 -21.415
  351    HA   VAL  62           HA       VAL  62 -28.385 -10.500 -21.072
  352    HB   VAL  62           HB       VAL  62 -29.538 -13.304 -21.194
  353   1HG1  VAL  62          HG12      VAL  62 -30.670 -10.628 -21.437
  354   2HG1  VAL  62          HG11      VAL  62 -30.932 -11.586 -22.895
  355   3HG1  VAL  62          HG13      VAL  62 -31.494 -12.184 -21.334
  356   1HG2  VAL  62          HG21      VAL  62 -27.763 -11.854 -22.964
  357   2HG2  VAL  62          HG23      VAL  62 -28.372 -13.502 -23.114
  358   3HG2  VAL  62          HG22      VAL  62 -29.307 -12.155 -23.761
  359    H    GLN  63           HN       GLN  63 -28.991 -13.356 -18.988
  360    HA   GLN  63           HA       GLN  63 -30.917 -11.929 -17.354
  361   1HB   GLN  63           HB2      GLN  63 -30.629 -13.928 -15.822
  362   2HB   GLN  63           HB1      GLN  63 -31.093 -14.329 -17.476
  363   1HG   GLN  63           HG2      GLN  63 -29.100 -15.339 -17.929
  364   2HG   GLN  63           HG1      GLN  63 -28.178 -14.155 -17.003
  365   1HE2  GLN  63          HE22      GLN  63 -28.450 -15.975 -13.922
  366   2HE2  GLN  63          HE21      GLN  63 -28.225 -14.423 -14.571
  367    H    LEU  64           HN       LEU  64 -30.571 -11.492 -15.013
  368    HA   LEU  64           HA       LEU  64 -27.712 -10.923 -14.356
  369   1HB   LEU  64           HB2      LEU  64 -29.899  -9.035 -14.691
  370   2HB   LEU  64           HB1      LEU  64 -29.223  -8.953 -13.063
  371    HG   LEU  64           HG       LEU  64 -26.939  -9.111 -14.525
  372   1HD1  LEU  64          HD12      LEU  64 -28.997  -7.655 -16.209
  373   2HD1  LEU  64          HD11      LEU  64 -27.255  -7.502 -16.438
  374   3HD1  LEU  64          HD13      LEU  64 -28.043  -9.062 -16.680
  375   1HD2  LEU  64          HD23      LEU  64 -27.919  -7.373 -12.793
  376   2HD2  LEU  64          HD22      LEU  64 -26.599  -6.900 -13.864
  377   3HD2  LEU  64          HD21      LEU  64 -28.255  -6.427 -14.242
  378    H    ALA  65           HN       ALA  65 -28.198 -13.082 -13.221
  379    HA   ALA  65           HA       ALA  65 -29.181 -12.448 -10.487
  380   1HB   ALA  65           HB2      ALA  65 -30.929 -13.672 -11.952
  381   2HB   ALA  65           HB1      ALA  65 -29.866 -15.072 -11.811
  382   3HB   ALA  65           HB3      ALA  65 -30.577 -14.355 -10.365
  383    H    HIS  66           HN       HIS  66 -26.805 -12.390 -10.142
  384    HA   HIS  66           HA       HIS  66 -25.801 -15.113  -9.524
  385   1HB   HIS  66           HB2      HIS  66 -23.551 -14.469 -10.477
  386   2HB   HIS  66           HB1      HIS  66 -24.811 -14.702 -11.690
  387    HD1  HIS  66           HD1      HIS  66 -22.834 -12.000  -9.955
  388    HD2  HIS  66           HD2      HIS  66 -25.568 -12.360 -13.082
  389    HE1  HIS  66           HE1      HIS  66 -22.864  -9.763 -11.142
  390    H    HIS  67           HN       HIS  67 -23.314 -14.477  -8.565
  391    HA   HIS  67           HA       HIS  67 -23.201 -12.066  -7.011
  392   1HB   HIS  67           HB2      HIS  67 -23.455 -13.462  -4.767
  393   2HB   HIS  67           HB1      HIS  67 -24.869 -12.758  -5.553
  394    HD1  HIS  67           HD1      HIS  67 -22.926 -15.971  -6.279
  395    HD2  HIS  67           HD2      HIS  67 -26.816 -14.707  -5.472
  396    HE1  HIS  67           HE1      HIS  67 -24.397 -18.027  -6.443
  397    H    PHE  68           HN       PHE  68 -21.467 -12.352  -5.203
  398    HA   PHE  68           HA       PHE  68 -19.416 -14.290  -6.198
  399   1HB   PHE  68           HB2      PHE  68 -19.193 -11.467  -5.166
  400   2HB   PHE  68           HB1      PHE  68 -17.812 -12.563  -5.092
  401    HD1  PHE  68           HD1      PHE  68 -20.407 -11.288  -7.476
  402    HD2  PHE  68           HD2      PHE  68 -16.425 -12.812  -6.961
  403    HE1  PHE  68           HE1      PHE  68 -19.930 -10.852  -9.871
  404    HE2  PHE  68           HE2      PHE  68 -15.948 -12.376  -9.354
  405    HZ   PHE  68           HZ       PHE  68 -17.700 -11.395 -10.810
  406    H    SER  69           HN       SER  69 -19.662 -12.300  -3.247
  407    HA   SER  69           HA       SER  69 -19.604 -12.926  -0.987
  408   1HB   SER  69           HB2      SER  69 -20.952 -15.191  -2.340
  409   2HB   SER  69           HB1      SER  69 -20.246 -15.557  -0.768
  410    HG   SER  69           HG       SER  69 -21.664 -14.291   0.165
  411    H    GLU  70           HN       GLU  70 -17.732 -13.268   0.101
  412    HA   GLU  70           HA       GLU  70 -16.176 -15.688  -0.190
  413   1HB   GLU  70           HB2      GLU  70 -15.470 -13.317  -1.811
  414   2HB   GLU  70           HB1      GLU  70 -14.133 -14.021  -0.901
  415   1HG   GLU  70           HG2      GLU  70 -15.173 -16.291  -1.852
  416   2HG   GLU  70           HG1      GLU  70 -15.749 -15.203  -3.117
  417    HA   PRO  71           HA       PRO  71 -14.565 -14.561   3.700
  418   1HB   PRO  71           HB2      PRO  71 -11.764 -14.833   3.063
  419   2HB   PRO  71           HB1      PRO  71 -12.805 -15.975   3.923
  420   1HG   PRO  71           HG2      PRO  71 -11.772 -16.222   1.247
  421   2HG   PRO  71           HG1      PRO  71 -12.837 -17.345   2.103
  422   1HD   PRO  71           HD2      PRO  71 -13.518 -15.585  -0.077
  423   2HD   PRO  71           HD1      PRO  71 -14.584 -16.709   0.791
  424    H    GLU  72           HN       GLU  72 -15.026 -12.315   3.753
  425    HA   GLU  72           HA       GLU  72 -13.771 -10.249   2.351
  426   1HB   GLU  72           HB2      GLU  72 -14.397  -8.780   4.243
  427   2HB   GLU  72           HB1      GLU  72 -15.707  -9.885   3.829
  428   1HG   GLU  72           HG2      GLU  72 -14.965 -11.412   5.641
  429   2HG   GLU  72           HG1      GLU  72 -13.711 -10.254   6.082
  430    H    ILE  73           HN       ILE  73 -12.608 -11.993   5.205
  431    HA   ILE  73           HA       ILE  73 -10.379 -10.229   5.691
  432    HB   ILE  73           HB       ILE  73 -11.030 -11.572   7.522
  433   1HG1  ILE  73          HG12      ILE  73  -8.506 -11.497   6.866
  434   2HG1  ILE  73          HG11      ILE  73  -9.022 -12.604   8.136
  435   1HG2  ILE  73          HG23      ILE  73 -11.051 -13.824   5.515
  436   2HG2  ILE  73          HG22      ILE  73 -10.997 -14.145   7.248
  437   3HG2  ILE  73          HG21      ILE  73 -12.360 -13.264   6.556
  438   1HD1  ILE  73          HD11      ILE  73  -9.230 -13.811   5.486
  439   2HD1  ILE  73          HD13      ILE  73  -7.585 -13.288   5.846
  440   3HD1  ILE  73          HD12      ILE  73  -8.409 -14.412   6.925
  441    H    THR  74           HN       THR  74 -10.833 -13.192   3.789
  442    HA   THR  74           HA       THR  74  -8.075 -13.595   3.137
  443    HB   THR  74           HB       THR  74 -10.613 -14.320   1.645
  444    HG1  THR  74           HG1      THR  74  -8.801 -15.981   3.032
  445   1HG2  THR  74          HG23      THR  74  -7.719 -15.004   1.100
  446   2HG2  THR  74          HG22      THR  74  -9.060 -15.962   0.471
  447   3HG2  THR  74          HG21      THR  74  -8.884 -14.273  -0.005
  448    H    LEU  75           HN       LEU  75 -10.677 -11.849   1.433
  449    HA   LEU  75           HA       LEU  75  -8.919 -10.921  -0.681
  450   1HB   LEU  75           HB2      LEU  75 -11.491 -11.153  -0.722
  451   2HB   LEU  75           HB1      LEU  75 -11.514  -9.624   0.151
  452    HG   LEU  75           HG       LEU  75 -10.186 -10.088  -2.539
  453   1HD1  LEU  75          HD11      LEU  75 -12.900  -9.638  -1.869
  454   2HD1  LEU  75          HD13      LEU  75 -12.282  -8.104  -2.482
  455   3HD1  LEU  75          HD12      LEU  75 -12.169  -9.562  -3.471
  456   1HD2  LEU  75          HD22      LEU  75 -10.327  -7.770  -0.635
  457   2HD2  LEU  75          HD21      LEU  75  -8.965  -8.331  -1.603
  458   3HD2  LEU  75          HD23      LEU  75 -10.288  -7.455  -2.368
  459    H    ILE  76           HN       ILE  76 -10.314  -9.358   2.234
  460    HA   ILE  76           HA       ILE  76  -9.118  -6.816   1.837
  461    HB   ILE  76           HB       ILE  76  -9.724  -8.308   4.410
  462   1HG1  ILE  76          HG12      ILE  76 -11.255  -6.034   3.135
  463   2HG1  ILE  76          HG11      ILE  76 -11.595  -7.718   2.740
  464   1HG2  ILE  76          HG21      ILE  76  -8.856  -5.467   3.868
  465   2HG2  ILE  76          HG23      ILE  76  -9.765  -5.896   5.318
  466   3HG2  ILE  76          HG22      ILE  76  -8.182  -6.615   5.024
  467   1HD1  ILE  76          HD13      ILE  76 -11.390  -7.265   5.623
  468   2HD1  ILE  76          HD12      ILE  76 -12.674  -6.313   4.879
  469   3HD1  ILE  76          HD11      ILE  76 -12.662  -8.067   4.703
  470    H    ILE  77           HN       ILE  77  -7.872  -9.665   3.607
  471    HA   ILE  77           HA       ILE  77  -5.372  -8.527   4.349
  472    HB   ILE  77           HB       ILE  77  -6.408 -11.316   3.962
  473   1HG1  ILE  77          HG12      ILE  77  -6.055 -11.478   6.297
  474   2HG1  ILE  77          HG11      ILE  77  -4.899 -10.148   6.301
  475   1HG2  ILE  77          HG22      ILE  77  -3.569 -10.506   3.789
  476   2HG2  ILE  77          HG21      ILE  77  -3.905 -11.781   4.961
  477   3HG2  ILE  77          HG23      ILE  77  -4.347 -12.000   3.267
  478   1HD1  ILE  77          HD11      ILE  77  -7.796  -9.745   5.539
  479   2HD1  ILE  77          HD13      ILE  77  -7.241  -9.624   7.209
  480   3HD1  ILE  77          HD12      ILE  77  -6.608  -8.521   5.985
  481    H    PHE  78           HN       PHE  78  -6.301 -10.405   1.476
  482    HA   PHE  78           HA       PHE  78  -3.774 -10.375   0.197
  483   1HB   PHE  78           HB2      PHE  78  -4.972 -11.681  -1.193
  484   2HB   PHE  78           HB1      PHE  78  -6.482 -11.103  -0.507
  485    HD1  PHE  78           HD2      PHE  78  -3.791 -10.091  -2.914
  486    HD2  PHE  78           HD1      PHE  78  -7.931  -9.833  -1.812
  487    HE1  PHE  78           HE2      PHE  78  -4.264  -8.839  -5.002
  488    HE2  PHE  78           HE1      PHE  78  -8.408  -8.575  -3.901
  489    HZ   PHE  78           HZ       PHE  78  -6.574  -8.081  -5.496
  490    H    GLY  79           HN       GLY  79  -6.466  -8.020  -0.079
  491   1HA   GLY  79           HA2      GLY  79  -5.228  -6.320  -1.975
  492   2HA   GLY  79           HA1      GLY  79  -6.400  -5.774  -0.774
  493    H    VAL  80           HN       VAL  80  -5.050  -6.202   1.607
  494    HA   VAL  80           HA       VAL  80  -3.337  -3.944   1.764
  495    HB   VAL  80           HB       VAL  80  -3.480  -6.376   3.569
  496   1HG1  VAL  80          HG12      VAL  80  -1.382  -5.042   3.821
  497   2HG1  VAL  80          HG11      VAL  80  -2.366  -3.609   4.120
  498   3HG1  VAL  80          HG13      VAL  80  -2.414  -4.963   5.249
  499   1HG2  VAL  80          HG22      VAL  80  -5.391  -4.406   3.030
  500   2HG2  VAL  80          HG21      VAL  80  -5.350  -5.447   4.454
  501   3HG2  VAL  80          HG23      VAL  80  -4.611  -3.846   4.509
  502    H    MET  81           HN       MET  81  -2.522  -7.416   1.558
  503    HA   MET  81           HA       MET  81   0.305  -7.120   1.547
  504   1HB   MET  81           HB2      MET  81  -1.418  -9.171   0.119
  505   2HB   MET  81           HB1      MET  81   0.323  -9.314   0.372
  506   1HG   MET  81           HG2      MET  81   0.062  -9.411   2.750
  507   2HG   MET  81           HG1      MET  81  -1.633  -8.932   2.649
  508   1HE   MET  81           HE2      MET  81  -0.336 -10.911   4.182
  509   2HE   MET  81           HE1      MET  81  -1.678 -12.051   4.243
  510   3HE   MET  81           HE3      MET  81  -0.110 -12.558   3.598
  511    H    ALA  82           HN       ALA  82  -2.018  -7.188  -1.148
  512    HA   ALA  82           HA       ALA  82  -0.163  -6.871  -3.253
  513   1HB   ALA  82           HB2      ALA  82  -3.060  -6.605  -2.925
  514   2HB   ALA  82           HB1      ALA  82  -2.407  -5.474  -4.114
  515   3HB   ALA  82           HB3      ALA  82  -2.133  -7.205  -4.299
  516    H    GLY  83           HN       GLY  83  -1.862  -4.329  -1.347
  517   1HA   GLY  83           HA2      GLY  83  -0.824  -2.117  -2.772
  518   2HA   GLY  83           HA1      GLY  83  -1.276  -2.077  -1.066
  519    H    VAL  84           HN       VAL  84   0.555  -3.827   0.073
  520    HA   VAL  84           HA       VAL  84   2.888  -2.218   0.301
  521    HB   VAL  84           HB       VAL  84   2.637  -5.201   0.803
  522   1HG1  VAL  84          HG11      VAL  84   4.875  -3.469   0.903
  523   2HG1  VAL  84          HG13      VAL  84   4.394  -3.752   2.576
  524   3HG1  VAL  84          HG12      VAL  84   4.768  -5.117   1.524
  525   1HG2  VAL  84          HG23      VAL  84   0.940  -3.803   1.990
  526   2HG2  VAL  84          HG22      VAL  84   2.084  -4.562   3.098
  527   3HG2  VAL  84          HG21      VAL  84   2.253  -2.854   2.689
  528    H    ILE  85           HN       ILE  85   2.360  -5.204  -1.601
  529    HA   ILE  85           HA       ILE  85   4.939  -5.364  -2.761
  530    HB   ILE  85           HB       ILE  85   2.251  -6.138  -3.938
  531   1HG1  ILE  85          HG12      ILE  85   4.339  -7.867  -2.585
  532   2HG1  ILE  85          HG11      ILE  85   2.970  -7.169  -1.722
  533   1HG2  ILE  85          HG22      ILE  85   5.098  -6.786  -4.745
  534   2HG2  ILE  85          HG21      ILE  85   3.710  -7.737  -5.277
  535   3HG2  ILE  85          HG23      ILE  85   3.842  -6.038  -5.732
  536   1HD1  ILE  85          HD11      ILE  85   1.639  -8.254  -3.787
  537   2HD1  ILE  85          HD13      ILE  85   3.019  -9.352  -3.749
  538   3HD1  ILE  85          HD12      ILE  85   2.000  -9.165  -2.321
  539    H    GLY  86           HN       GLY  86   2.016  -3.688  -3.954
  540   1HA   GLY  86           HA2      GLY  86   3.108  -2.690  -6.361
  541   2HA   GLY  86           HA1      GLY  86   1.808  -1.908  -5.461
  542    H    THR  87           HN       THR  87   3.086  -1.192  -3.108
  543    HA   THR  87           HA       THR  87   4.400   1.211  -3.825
  544    HB   THR  87           HB       THR  87   4.757  -0.332  -1.239
  545    HG1  THR  87           HG1      THR  87   2.569  -0.009  -1.734
  546   1HG2  THR  87          HG22      THR  87   6.304   1.578  -1.596
  547   2HG2  THR  87          HG21      THR  87   4.914   2.632  -1.856
  548   3HG2  THR  87          HG23      THR  87   5.170   1.882  -0.280
  549    H    ILE  88           HN       ILE  88   5.815  -1.907  -2.761
  550    HA   ILE  88           HA       ILE  88   8.537  -1.102  -2.903
  551    HB   ILE  88           HB       ILE  88   7.306  -3.810  -3.511
  552   1HG1  ILE  88          HG12      ILE  88   8.562  -2.697  -0.980
  553   2HG1  ILE  88          HG11      ILE  88   6.830  -2.908  -1.241
  554   1HG2  ILE  88          HG21      ILE  88  10.007  -2.838  -3.753
  555   2HG2  ILE  88          HG23      ILE  88   9.925  -4.025  -2.450
  556   3HG2  ILE  88          HG22      ILE  88   9.386  -4.458  -4.073
  557   1HD1  ILE  88          HD13      ILE  88   8.590  -5.273  -1.714
  558   2HD1  ILE  88          HD12      ILE  88   8.304  -4.792  -0.042
  559   3HD1  ILE  88          HD11      ILE  88   6.944  -5.206  -1.085
  560    H    LEU  89           HN       LEU  89   6.439  -2.541  -5.400
  561    HA   LEU  89           HA       LEU  89   8.343  -2.584  -7.497
  562   1HB   LEU  89           HB2      LEU  89   6.572  -3.587  -8.464
  563   2HB   LEU  89           HB1      LEU  89   5.513  -3.004  -7.187
  564    HG   LEU  89           HG       LEU  89   5.391  -0.801  -8.460
  565   1HD1  LEU  89          HD11      LEU  89   7.482  -1.409  -9.826
  566   2HD1  LEU  89          HD13      LEU  89   6.420  -2.452 -10.772
  567   3HD1  LEU  89          HD12      LEU  89   6.131  -0.714 -10.721
  568   1HD2  LEU  89          HD23      LEU  89   4.150  -3.371  -9.027
  569   2HD2  LEU  89          HD22      LEU  89   3.414  -1.770  -8.964
  570   3HD2  LEU  89          HD21      LEU  89   4.164  -2.339 -10.456
  571    H    LEU  90           HN       LEU  90   6.045  -0.021  -6.552
  572    HA   LEU  90           HA       LEU  90   6.700   1.841  -8.588
  573   1HB   LEU  90           HB2      LEU  90   5.925   2.372  -5.702
  574   2HB   LEU  90           HB1      LEU  90   5.892   3.569  -6.998
  575    HG   LEU  90           HG       LEU  90   4.349   0.961  -7.074
  576   1HD1  LEU  90          HD11      LEU  90   3.624   3.711  -6.083
  577   2HD1  LEU  90          HD13      LEU  90   2.387   2.668  -6.785
  578   3HD1  LEU  90          HD12      LEU  90   3.274   2.143  -5.354
  579   1HD2  LEU  90          HD21      LEU  90   4.590   3.380  -8.845
  580   2HD2  LEU  90          HD23      LEU  90   4.568   1.673  -9.289
  581   3HD2  LEU  90          HD22      LEU  90   3.075   2.479  -8.809
  582    H    ILE  91           HN       ILE  91   8.174   1.440  -5.346
  583    HA   ILE  91           HA       ILE  91  10.047   3.556  -5.568
  584    HB   ILE  91           HB       ILE  91  10.365   0.884  -4.165
  585   1HG1  ILE  91          HG12      ILE  91   9.397   3.588  -3.182
  586   2HG1  ILE  91          HG11      ILE  91   8.388   2.163  -3.430
  587   1HG2  ILE  91          HG22      ILE  91  12.046   3.321  -4.354
  588   2HG2  ILE  91          HG21      ILE  91  11.816   2.676  -2.728
  589   3HG2  ILE  91          HG23      ILE  91  12.511   1.659  -3.991
  590   1HD1  ILE  91          HD13      ILE  91  10.703   1.549  -1.777
  591   2HD1  ILE  91          HD12      ILE  91   9.735   2.846  -1.075
  592   3HD1  ILE  91          HD11      ILE  91   8.992   1.289  -1.441
  593    H    SER  92           HN       SER  92  10.421   0.110  -6.520
  594    HA   SER  92           HA       SER  92  13.088   0.367  -7.468
  595   1HB   SER  92           HB2      SER  92  11.045  -1.611  -7.558
  596   2HB   SER  92           HB1      SER  92  11.596  -1.370  -9.214
  597    HG   SER  92           HG       SER  92  13.002  -2.230  -6.943
  598    H    TYR  93           HN       TYR  93   9.987   0.798  -9.187
  599    HA   TYR  93           HA       TYR  93  11.071   1.520 -11.708
  600   1HB   TYR  93           HB2      TYR  93   8.516   1.368 -10.581
  601   2HB   TYR  93           HB1      TYR  93   8.690   3.059 -11.049
  602    HD1  TYR  93           HD2      TYR  93  10.677   2.584 -13.333
  603    HD2  TYR  93           HD1      TYR  93   6.959   0.698 -12.301
  604    HE1  TYR  93           HE2      TYR  93  10.332   1.964 -15.709
  605    HE2  TYR  93           HE1      TYR  93   6.613   0.077 -14.678
  606    HH   TYR  93           HH       TYR  93   7.356   0.328 -16.769
  607    H    GLY  94           HN       GLY  94  10.176   3.614  -8.939
  608   1HA   GLY  94           HA2      GLY  94  10.855   6.090 -10.128
  609   2HA   GLY  94           HA1      GLY  94  10.910   5.774  -8.393
  610    H    ILE  95           HN       ILE  95  12.900   3.875  -8.195
  611    HA   ILE  95           HA       ILE  95  15.274   5.437  -8.323
  612    HB   ILE  95           HB       ILE  95  14.727   2.493  -7.998
  613   1HG1  ILE  95          HG12      ILE  95  15.562   2.852  -5.806
  614   2HG1  ILE  95          HG11      ILE  95  16.380   4.342  -6.271
  615   1HG2  ILE  95          HG21      ILE  95  17.286   3.740  -8.854
  616   2HG2  ILE  95          HG23      ILE  95  17.390   2.583  -7.526
  617   3HG2  ILE  95          HG22      ILE  95  16.709   2.089  -9.076
  618   1HD1  ILE  95          HD11      ILE  95  13.374   3.961  -6.209
  619   2HD1  ILE  95          HD13      ILE  95  14.313   4.788  -4.968
  620   3HD1  ILE  95          HD12      ILE  95  14.222   5.456  -6.598
  621    H    ARG  96           HN       ARG  96  14.083   2.903 -10.545
  622    HA   ARG  96           HA       ARG  96  16.231   2.984 -12.390
  623   1HB   ARG  96           HB2      ARG  96  13.282   2.437 -12.808
  624   2HB   ARG  96           HB1      ARG  96  14.497   2.207 -14.065
  625   1HG   ARG  96           HG2      ARG  96  15.711   0.834 -12.122
  626   2HG   ARG  96           HG1      ARG  96  14.049   0.653 -11.554
  627   1HD   ARG  96           HD2      ARG  96  14.634   0.169 -14.452
  628   2HD   ARG  96           HD1      ARG  96  15.069  -1.077 -13.281
  629    HE   ARG  96           HE       ARG  96  12.455  -0.460 -12.626
  630   1HH1  ARG  96          HH11      ARG  96  12.340   0.245 -15.606
  631   2HH1  ARG  96          HH12      ARG  96  11.786  -1.254 -16.276
  632   1HH2  ARG  96          HH21      ARG  96  12.518  -3.098 -13.431
  633   2HH2  ARG  96          HH22      ARG  96  11.887  -3.148 -15.042
  634    H    ARG  97           HN       ARG  97  13.203   4.870 -12.353
  635    HA   ARG  97           HA       ARG  97  13.672   6.362 -14.710
  636   1HB   ARG  97           HB2      ARG  97  11.515   6.385 -13.521
  637   2HB   ARG  97           HB1      ARG  97  12.261   7.246 -12.173
  638   1HG   ARG  97           HG2      ARG  97  12.938   8.703 -14.496
  639   2HG   ARG  97           HG1      ARG  97  11.223   8.317 -14.644
  640   1HD   ARG  97           HD2      ARG  97  12.387   9.413 -12.082
  641   2HD   ARG  97           HD1      ARG  97  11.818  10.473 -13.373
  642    HE   ARG  97           HE       ARG  97   9.691   8.753 -12.962
  643   1HH1  ARG  97          HH21      ARG  97  10.995   8.761 -10.144
  644   2HH1  ARG  97          HH22      ARG  97  10.034   9.977  -9.369
  645   1HH2  ARG  97          HH11      ARG  97   8.718  11.203 -12.334
  646   2HH2  ARG  97          HH12      ARG  97   8.745  11.360 -10.609
  647    H    LEU  98           HN       LEU  98  14.581   7.132 -11.340
  648    HA   LEU  98           HA       LEU  98  15.787   9.641 -11.854
  649   1HB   LEU  98           HB2      LEU  98  15.781   7.683  -9.703
  650   2HB   LEU  98           HB1      LEU  98  17.370   8.430  -9.882
  651    HG   LEU  98           HG       LEU  98  15.316  10.438 -10.149
  652   1HD1  LEU  98          HD12      LEU  98  14.641   8.367  -8.323
  653   2HD1  LEU  98          HD11      LEU  98  15.165   9.750  -7.362
  654   3HD1  LEU  98          HD13      LEU  98  13.848   9.929  -8.522
  655   1HD2  LEU  98          HD23      LEU  98  17.897  10.083  -9.054
  656   2HD2  LEU  98          HD22      LEU  98  16.977  11.585  -9.139
  657   3HD2  LEU  98          HD21      LEU  98  16.865  10.561  -7.707
  658    H    ILE  99           HN       ILE  99  17.238   6.381 -11.889
  659    HA   ILE  99           HA       ILE  99  19.846   7.331 -12.709
  660    HB   ILE  99           HB       ILE  99  20.272   4.923 -13.202
  661   1HG1  ILE  99          HG12      ILE  99  17.385   4.545 -12.354
  662   2HG1  ILE  99          HG11      ILE  99  17.921   4.505 -14.033
  663   1HG2  ILE  99          HG22      ILE  99  19.979   6.108 -10.781
  664   2HG2  ILE  99          HG21      ILE  99  18.775   4.827 -10.639
  665   3HG2  ILE  99          HG23      ILE  99  20.458   4.423 -10.974
  666   1HD1  ILE  99          HD11      ILE  99  19.684   2.762 -13.060
  667   2HD1  ILE  99          HD13      ILE  99  18.435   2.546 -11.833
  668   3HD1  ILE  99          HD12      ILE  99  18.063   2.252 -13.531
  669    H    LYS 100           HN       LYS 100  16.944   6.265 -14.405
  670    HA   LYS 100           HA       LYS 100  18.371   6.620 -17.001
  671   1HB   LYS 100           HB2      LYS 100  16.409   4.742 -16.087
  672   2HB   LYS 100           HB1      LYS 100  15.695   5.700 -17.385
  673   1HG   LYS 100           HG2      LYS 100  18.394   5.064 -18.108
  674   2HG   LYS 100           HG1      LYS 100  17.582   3.578 -17.615
  675   1HD   LYS 100           HD2      LYS 100  16.850   3.607 -19.786
  676   2HD   LYS 100           HD1      LYS 100  15.622   4.682 -19.115
  677   1HE   LYS 100           HE2      LYS 100  16.664   6.604 -19.939
  678   2HE   LYS 100           HE1      LYS 100  18.241   5.822 -20.050
  679   1HZ   LYS 100           HZ1      LYS 100  15.939   4.994 -21.715
  680   2HZ   LYS 100           HZ3      LYS 100  17.023   6.201 -22.207
  681   3HZ   LYS 100           HZ2      LYS 100  17.582   4.620 -21.935
  682    H    LYS 101           HN       LYS 101  18.260   8.777 -17.504
  683    HA   LYS 101           HA       LYS 101  15.843   9.938 -18.411
  684   1HB   LYS 101           HB2      LYS 101  15.153  11.410 -16.700
  685   2HB   LYS 101           HB1      LYS 101  15.470   9.905 -15.843
  686   1HG   LYS 101           HG2      LYS 101  16.602  11.439 -14.503
  687   2HG   LYS 101           HG1      LYS 101  17.895  10.905 -15.575
  688   1HD   LYS 101           HD2      LYS 101  18.182  13.036 -16.235
  689   2HD   LYS 101           HD1      LYS 101  16.557  13.010 -16.919
  690   1HE   LYS 101           HE2      LYS 101  15.598  13.983 -15.032
  691   2HE   LYS 101           HE1      LYS 101  16.892  13.434 -13.967
  692   1HZ   LYS 101           HZ3      LYS 101  18.384  14.984 -15.197
  693   2HZ   LYS 101           HZ2      LYS 101  17.010  15.612 -15.975
  694   3HZ   LYS 101           HZ1      LYS 101  17.172  15.748 -14.289
   
  No H/Q in entry =         694
  Start of MODEL    9
    1   1H    VAL  62           HT3      VAL  62  -4.644  -9.214  18.442
    2   2H    VAL  62           HT2      VAL  62  -4.046 -10.351  19.553
    3   3H    VAL  62           HT1      VAL  62  -4.619 -10.861  18.038
    4    HA   VAL  62           HA       VAL  62  -6.340 -11.391  19.501
    5    HB   VAL  62           HB       VAL  62  -5.479 -10.106  21.417
    6   1HG1  VAL  62          HG11      VAL  62  -5.936  -7.889  19.538
    7   2HG1  VAL  62          HG13      VAL  62  -6.534  -7.571  21.166
    8   3HG1  VAL  62          HG12      VAL  62  -4.838  -7.986  20.915
    9   1HG2  VAL  62          HG23      VAL  62  -8.017 -10.736  21.021
   10   2HG2  VAL  62          HG22      VAL  62  -7.561  -9.726  22.393
   11   3HG2  VAL  62          HG21      VAL  62  -8.222  -8.986  20.935
   12    H    GLN  63           HN       GLN  63  -6.615 -10.894  16.937
   13    HA   GLN  63           HA       GLN  63  -8.091 -10.097  15.307
   14   1HB   GLN  63           HB2      GLN  63  -9.979 -10.756  16.508
   15   2HB   GLN  63           HB1      GLN  63  -9.586  -9.732  17.886
   16   1HG   GLN  63           HG2      GLN  63 -10.282  -7.741  16.687
   17   2HG   GLN  63           HG1      GLN  63 -10.502  -8.659  15.196
   18   1HE2  GLN  63          HE22      GLN  63 -13.913  -8.798  16.223
   19   2HE2  GLN  63          HE21      GLN  63 -12.813  -8.051  15.168
   20    H    LEU  64           HN       LEU  64  -8.855  -8.036  14.343
   21    HA   LEU  64           HA       LEU  64  -7.129  -5.800  15.200
   22   1HB   LEU  64           HB2      LEU  64  -8.449  -6.648  12.730
   23   2HB   LEU  64           HB1      LEU  64  -8.639  -4.922  13.041
   24    HG   LEU  64           HG       LEU  64  -5.973  -5.422  13.683
   25   1HD1  LEU  64          HD12      LEU  64  -6.948  -7.369  11.717
   26   2HD1  LEU  64          HD11      LEU  64  -5.586  -6.415  11.127
   27   3HD1  LEU  64          HD13      LEU  64  -5.431  -7.346  12.618
   28   1HD2  LEU  64          HD21      LEU  64  -7.542  -3.953  11.738
   29   2HD2  LEU  64          HD23      LEU  64  -5.986  -3.530  12.454
   30   3HD2  LEU  64          HD22      LEU  64  -6.047  -4.536  11.007
   31    H    ALA  65           HN       ALA  65 -10.564  -6.033  14.203
   32    HA   ALA  65           HA       ALA  65 -12.464  -5.054  15.183
   33   1HB   ALA  65           HB1      ALA  65 -10.619  -5.289  17.343
   34   2HB   ALA  65           HB3      ALA  65 -11.331  -3.677  17.431
   35   3HB   ALA  65           HB2      ALA  65 -12.370  -5.102  17.433
   36    H    HIS  66           HN       HIS  66 -13.413  -2.988  14.921
   37    HA   HIS  66           HA       HIS  66 -11.613  -0.648  14.712
   38   1HB   HIS  66           HB2      HIS  66 -13.341  -1.658  12.436
   39   2HB   HIS  66           HB1      HIS  66 -12.590  -0.064  12.474
   40    HD1  HIS  66           HD1      HIS  66 -11.971  -3.333  11.211
   41    HD2  HIS  66           HD2      HIS  66  -9.573  -0.446  13.025
   42    HE1  HIS  66           HE1      HIS  66  -9.578  -3.915  10.620
   43    H    HIS  67           HN       HIS  67 -14.976  -1.426  13.729
   44    HA   HIS  67           HA       HIS  67 -16.107   0.061  15.951
   45   1HB   HIS  67           HB2      HIS  67 -15.185   1.836  14.310
   46   2HB   HIS  67           HB1      HIS  67 -16.504   1.342  13.247
   47    HD1  HIS  67           HD1      HIS  67 -18.681   2.492  13.642
   48    HD2  HIS  67           HD2      HIS  67 -16.251   2.608  17.028
   49    HE1  HIS  67           HE1      HIS  67 -19.912   3.889  15.359
   50    H    PHE  68           HN       PHE  68 -16.454  -2.535  14.653
   51    HA   PHE  68           HA       PHE  68 -18.256  -3.945  14.122
   52   1HB   PHE  68           HB2      PHE  68 -19.426  -1.661  15.463
   53   2HB   PHE  68           HB1      PHE  68 -20.512  -2.261  14.209
   54    HD1  PHE  68           HD1      PHE  68 -18.407  -3.396  17.088
   55    HD2  PHE  68           HD2      PHE  68 -21.792  -4.204  14.568
   56    HE1  PHE  68           HE1      PHE  68 -19.035  -5.304  18.542
   57    HE2  PHE  68           HE2      PHE  68 -22.419  -6.113  16.023
   58    HZ   PHE  68           HZ       PHE  68 -21.039  -6.664  18.009
   59    H    SER  69           HN       SER  69 -19.335  -0.754  12.907
   60    HA   SER  69           HA       SER  69 -20.323  -1.759  10.434
   61   1HB   SER  69           HB2      SER  69 -19.682   0.900  11.567
   62   2HB   SER  69           HB1      SER  69 -19.656   0.809   9.809
   63    HG   SER  69           HG       SER  69 -21.767  -0.181  11.428
   64    H    GLU  70           HN       GLU  70 -19.348  -1.953   8.392
   65    HA   GLU  70           HA       GLU  70 -16.921  -0.929   7.499
   66   1HB   GLU  70           HB2      GLU  70 -15.519  -3.137   7.908
   67   2HB   GLU  70           HB1      GLU  70 -15.563  -1.869   9.133
   68   1HG   GLU  70           HG2      GLU  70 -16.904  -3.092  10.551
   69   2HG   GLU  70           HG1      GLU  70 -17.713  -3.933   9.228
   70    HA   PRO  71           HA       PRO  71 -19.333  -3.330   4.459
   71   1HB   PRO  71           HB2      PRO  71 -18.050  -1.635   2.494
   72   2HB   PRO  71           HB1      PRO  71 -19.756  -1.681   2.960
   73   1HG   PRO  71           HG2      PRO  71 -17.847   0.359   3.598
   74   2HG   PRO  71           HG1      PRO  71 -19.523   0.252   4.145
   75   1HD   PRO  71           HD2      PRO  71 -17.121  -0.178   5.692
   76   2HD   PRO  71           HD1      PRO  71 -18.806  -0.240   6.247
   77    H    GLU  72           HN       GLU  72 -18.560  -4.727   2.703
   78    HA   GLU  72           HA       GLU  72 -16.019  -5.938   3.228
   79   1HB   GLU  72           HB2      GLU  72 -17.800  -7.242   2.229
   80   2HB   GLU  72           HB1      GLU  72 -17.878  -6.153   0.844
   81   1HG   GLU  72           HG2      GLU  72 -15.549  -6.768   0.248
   82   2HG   GLU  72           HG1      GLU  72 -15.515  -7.895   1.604
   83    H    ILE  73           HN       ILE  73 -16.751  -4.941  -0.074
   84    HA   ILE  73           HA       ILE  73 -14.226  -4.427  -0.977
   85    HB   ILE  73           HB       ILE  73 -16.448  -4.174  -2.227
   86   1HG1  ILE  73          HG12      ILE  73 -15.219  -1.963  -3.379
   87   2HG1  ILE  73          HG11      ILE  73 -13.900  -2.803  -2.563
   88   1HG2  ILE  73          HG23      ILE  73 -16.165  -1.364  -1.117
   89   2HG2  ILE  73          HG22      ILE  73 -17.312  -1.855  -2.363
   90   3HG2  ILE  73          HG21      ILE  73 -17.457  -2.501  -0.728
   91   1HD1  ILE  73          HD12      ILE  73 -15.495  -4.800  -3.786
   92   2HD1  ILE  73          HD11      ILE  73 -15.260  -3.535  -4.993
   93   3HD1  ILE  73          HD13      ILE  73 -13.863  -4.304  -4.238
   94    H    THR  74           HN       THR  74 -16.182  -2.204   0.979
   95    HA   THR  74           HA       THR  74 -14.432   0.038   0.860
   96    HB   THR  74           HB       THR  74 -16.224  -0.879   3.131
   97    HG1  THR  74           HG1      THR  74 -17.267  -0.507   1.125
   98   1HG2  THR  74          HG23      THR  74 -14.293   1.010   3.326
   99   2HG2  THR  74          HG22      THR  74 -15.610   1.988   2.678
  100   3HG2  THR  74          HG21      THR  74 -15.828   1.108   4.191
  101    H    LEU  75           HN       LEU  75 -14.561  -2.680   3.176
  102    HA   LEU  75           HA       LEU  75 -12.301  -1.776   4.712
  103   1HB   LEU  75           HB2      LEU  75 -14.114  -3.535   5.328
  104   2HB   LEU  75           HB1      LEU  75 -13.095  -4.672   4.444
  105    HG   LEU  75           HG       LEU  75 -12.189  -2.946   6.768
  106   1HD1  LEU  75          HD11      LEU  75 -13.678  -5.313   6.787
  107   2HD1  LEU  75          HD13      LEU  75 -12.016  -5.841   7.060
  108   3HD1  LEU  75          HD12      LEU  75 -12.755  -4.652   8.137
  109   1HD2  LEU  75          HD23      LEU  75 -10.812  -4.846   4.894
  110   2HD2  LEU  75          HD22      LEU  75 -10.250  -3.295   5.509
  111   3HD2  LEU  75          HD21      LEU  75 -10.246  -4.709   6.557
  112    H    ILE  76           HN       ILE  76 -12.584  -4.211   2.087
  113    HA   ILE  76           HA       ILE  76  -9.847  -4.954   2.064
  114    HB   ILE  76           HB       ILE  76 -11.697  -4.716  -0.334
  115   1HG1  ILE  76          HG12      ILE  76 -11.182  -7.172   1.348
  116   2HG1  ILE  76          HG11      ILE  76 -12.513  -6.069   1.702
  117   1HG2  ILE  76          HG22      ILE  76  -9.199  -6.350   0.195
  118   2HG2  ILE  76          HG21      ILE  76 -10.251  -6.562  -1.205
  119   3HG2  ILE  76          HG23      ILE  76  -9.375  -5.048  -0.981
  120   1HD1  ILE  76          HD11      ILE  76 -12.184  -7.030  -1.110
  121   2HD1  ILE  76          HD13      ILE  76 -12.854  -8.149   0.077
  122   3HD1  ILE  76          HD12      ILE  76 -13.657  -6.610  -0.236
  123    H    ILE  77           HN       ILE  77 -11.512  -2.360   0.245
  124    HA   ILE  77           HA       ILE  77  -9.211  -1.363  -1.102
  125    HB   ILE  77           HB       ILE  77 -11.577   0.233  -0.067
  126   1HG1  ILE  77          HG12      ILE  77 -11.325  -0.792  -2.875
  127   2HG1  ILE  77          HG11      ILE  77 -11.881  -1.900  -1.620
  128   1HG2  ILE  77          HG21      ILE  77  -9.271   1.198  -1.136
  129   2HG2  ILE  77          HG23      ILE  77 -10.201   0.906  -2.605
  130   3HG2  ILE  77          HG22      ILE  77 -10.841   1.972  -1.354
  131   1HD1  ILE  77          HD13      ILE  77 -13.315   0.445  -1.139
  132   2HD1  ILE  77          HD12      ILE  77 -13.304   0.299  -2.897
  133   3HD1  ILE  77          HD11      ILE  77 -13.937  -1.015  -1.906
  134    H    PHE  78           HN       PHE  78 -10.632  -0.444   2.020
  135    HA   PHE  78           HA       PHE  78  -8.737   1.546   2.712
  136   1HB   PHE  78           HB2      PHE  78 -10.218   1.716   4.400
  137   2HB   PHE  78           HB1      PHE  78 -10.890   0.133   4.033
  138    HD1  PHE  78           HD2      PHE  78  -7.871   1.672   5.653
  139    HD2  PHE  78           HD1      PHE  78 -10.713  -1.541   5.617
  140    HE1  PHE  78           HE2      PHE  78  -6.855   0.755   7.722
  141    HE2  PHE  78           HE1      PHE  78  -9.699  -2.464   7.688
  142    HZ   PHE  78           HZ       PHE  78  -7.769  -1.314   8.740
  143    H    GLY  79           HN       GLY  79  -8.689  -1.969   3.408
  144   1HA   GLY  79           HA2      GLY  79  -6.269  -2.000   4.878
  145   2HA   GLY  79           HA1      GLY  79  -6.854  -3.356   3.912
  146    H    VAL  80           HN       VAL  80  -6.764  -2.313   1.341
  147    HA   VAL  80           HA       VAL  80  -4.028  -2.600   0.647
  148    HB   VAL  80           HB       VAL  80  -6.219  -1.172  -0.889
  149   1HG1  VAL  80          HG12      VAL  80  -3.773  -0.824  -1.593
  150   2HG1  VAL  80          HG11      VAL  80  -3.759  -2.543  -1.989
  151   3HG1  VAL  80          HG13      VAL  80  -4.865  -1.454  -2.827
  152   1HG2  VAL  80          HG22      VAL  80  -6.109  -3.831  -0.074
  153   2HG2  VAL  80          HG21      VAL  80  -7.050  -3.212  -1.431
  154   3HG2  VAL  80          HG23      VAL  80  -5.441  -3.880  -1.705
  155    H    MET  81           HN       MET  81  -6.001   0.356   0.986
  156    HA   MET  81           HA       MET  81  -3.939   2.229   0.416
  157   1HB   MET  81           HB2      MET  81  -6.349   2.417   2.244
  158   2HB   MET  81           HB1      MET  81  -5.310   3.790   1.864
  159   1HG   MET  81           HG2      MET  81  -5.751   3.041  -0.629
  160   2HG   MET  81           HG1      MET  81  -7.177   2.276   0.071
  161   1HE   MET  81           HE2      MET  81  -8.619   3.196   1.586
  162   2HE   MET  81           HE1      MET  81  -9.166   4.866   1.712
  163   3HE   MET  81           HE3      MET  81  -9.557   3.909   0.277
  164    H    ALA  82           HN       ALA  82  -4.975   0.797   3.507
  165    HA   ALA  82           HA       ALA  82  -3.120   2.119   5.178
  166   1HB   ALA  82           HB1      ALA  82  -4.823  -0.281   5.388
  167   2HB   ALA  82           HB3      ALA  82  -3.364  -0.343   6.382
  168   3HB   ALA  82           HB2      ALA  82  -4.505   0.987   6.569
  169    H    GLY  83           HN       GLY  83  -2.737  -0.997   3.413
  170   1HA   GLY  83           HA2      GLY  83  -0.157  -1.611   4.399
  171   2HA   GLY  83           HA1      GLY  83  -0.759  -2.107   2.816
  172    H    VAL  84           HN       VAL  84  -1.090   0.321   1.522
  173    HA   VAL  84           HA       VAL  84   1.550   0.951   0.682
  174    HB   VAL  84           HB       VAL  84  -0.982   2.615   0.530
  175   1HG1  VAL  84          HG12      VAL  84   1.094   3.971   0.278
  176   2HG1  VAL  84          HG11      VAL  84   1.610   2.896  -1.021
  177   3HG1  VAL  84          HG13      VAL  84   0.164   3.886  -1.218
  178   1HG2  VAL  84          HG22      VAL  84  -0.071   0.249  -0.828
  179   2HG2  VAL  84          HG21      VAL  84  -1.572   1.142  -1.068
  180   3HG2  VAL  84          HG23      VAL  84  -0.129   1.585  -1.979
  181    H    ILE  85           HN       ILE  85  -0.598   2.703   2.944
  182    HA   ILE  85           HA       ILE  85   1.175   4.815   3.587
  183    HB   ILE  85           HB       ILE  85  -0.827   3.444   5.407
  184   1HG1  ILE  85          HG12      ILE  85  -1.319   5.982   3.875
  185   2HG1  ILE  85          HG11      ILE  85  -1.515   4.431   3.059
  186   1HG2  ILE  85          HG23      ILE  85   1.065   5.346   6.054
  187   2HG2  ILE  85          HG22      ILE  85  -0.342   6.333   5.656
  188   3HG2  ILE  85          HG21      ILE  85  -0.458   5.101   6.913
  189   1HD1  ILE  85          HD13      ILE  85  -2.759   4.354   5.670
  190   2HD1  ILE  85          HD12      ILE  85  -3.385   5.710   4.732
  191   3HD1  ILE  85          HD11      ILE  85  -3.485   4.072   4.088
  192    H    GLY  86           HN       GLY  86   0.794   1.626   5.163
  193   1HA   GLY  86           HA2      GLY  86   2.718   1.984   7.200
  194   2HA   GLY  86           HA1      GLY  86   2.292   0.421   6.503
  195    H    THR  87           HN       THR  87   3.159   0.702   3.888
  196    HA   THR  87           HA       THR  87   5.933   0.166   4.084
  197    HB   THR  87           HB       THR  87   4.266   1.078   1.722
  198    HG1  THR  87           HG1      THR  87   3.876  -0.994   2.759
  199   1HG2  THR  87          HG21      THR  87   7.164   0.318   1.960
  200   2HG2  THR  87          HG23      THR  87   6.275  -0.050   0.481
  201   3HG2  THR  87          HG22      THR  87   6.431   1.620   1.024
  202    H    ILE  88           HN       ILE  88   4.265   3.170   3.088
  203    HA   ILE  88           HA       ILE  88   6.586   4.717   2.574
  204    HB   ILE  88           HB       ILE  88   3.906   5.576   3.711
  205   1HG1  ILE  88          HG12      ILE  88   4.979   5.718   0.877
  206   2HG1  ILE  88          HG11      ILE  88   3.916   4.437   1.460
  207   1HG2  ILE  88          HG23      ILE  88   6.182   7.177   2.506
  208   2HG2  ILE  88          HG22      ILE  88   4.566   7.819   2.800
  209   3HG2  ILE  88          HG21      ILE  88   5.566   7.294   4.154
  210   1HD1  ILE  88          HD12      ILE  88   2.622   6.743   2.287
  211   2HD1  ILE  88          HD11      ILE  88   3.268   7.193   0.709
  212   3HD1  ILE  88          HD13      ILE  88   2.206   5.793   0.860
  213    H    LEU  89           HN       LEU  89   4.761   4.284   5.612
  214    HA   LEU  89           HA       LEU  89   6.368   5.965   7.229
  215   1HB   LEU  89           HB2      LEU  89   4.876   5.322   8.789
  216   2HB   LEU  89           HB1      LEU  89   4.192   4.209   7.611
  217    HG   LEU  89           HG       LEU  89   5.930   2.514   8.365
  218   1HD1  LEU  89          HD11      LEU  89   6.711   4.832   9.954
  219   2HD1  LEU  89          HD13      LEU  89   6.419   3.414  10.962
  220   3HD1  LEU  89          HD12      LEU  89   7.597   3.337   9.651
  221   1HD2  LEU  89          HD21      LEU  89   3.725   3.595  10.094
  222   2HD2  LEU  89          HD23      LEU  89   3.799   2.071   9.209
  223   3HD2  LEU  89          HD22      LEU  89   4.723   2.272  10.698
  224    H    LEU  90           HN       LEU  90   6.712   2.478   6.534
  225    HA   LEU  90           HA       LEU  90   9.000   2.004   8.147
  226   1HB   LEU  90           HB2      LEU  90   8.062   0.771   5.547
  227   2HB   LEU  90           HB1      LEU  90   9.509   0.205   6.381
  228    HG   LEU  90           HG       LEU  90   7.155   0.521   8.129
  229   1HD1  LEU  90          HD11      LEU  90   7.202  -1.584   5.943
  230   2HD1  LEU  90          HD13      LEU  90   6.098  -1.580   7.320
  231   3HD1  LEU  90          HD12      LEU  90   6.013  -0.292   6.118
  232   1HD2  LEU  90          HD22      LEU  90   9.495  -0.585   8.524
  233   2HD2  LEU  90          HD21      LEU  90   8.059  -1.379   9.170
  234   3HD2  LEU  90          HD23      LEU  90   8.795  -1.965   7.678
  235    H    ILE  91           HN       ILE  91   8.817   3.060   4.731
  236    HA   ILE  91           HA       ILE  91  11.612   3.211   4.257
  237    HB   ILE  91           HB       ILE  91   9.380   4.947   3.155
  238   1HG1  ILE  91          HG12      ILE  91  10.703   2.387   2.212
  239   2HG1  ILE  91          HG11      ILE  91   9.005   2.620   2.631
  240   1HG2  ILE  91          HG23      ILE  91  12.133   5.356   2.973
  241   2HG2  ILE  91          HG22      ILE  91  11.728   4.516   1.477
  242   3HG2  ILE  91          HG21      ILE  91  10.912   6.024   1.890
  243   1HD1  ILE  91          HD11      ILE  91   9.334   4.552   0.733
  244   2HD1  ILE  91          HD13      ILE  91  10.445   3.316   0.145
  245   3HD1  ILE  91          HD12      ILE  91   8.743   2.926   0.390
  246    H    SER  92           HN       SER  92   9.388   5.719   5.524
  247    HA   SER  92           HA       SER  92  11.344   7.755   5.812
  248   1HB   SER  92           HB2      SER  92   8.939   7.150   7.563
  249   2HB   SER  92           HB1      SER  92   9.861   8.650   7.609
  250    HG   SER  92           HG       SER  92   9.236   9.071   5.517
  251    H    TYR  93           HN       TYR  93  10.315   5.210   8.097
  252    HA   TYR  93           HA       TYR  93  12.103   5.856  10.205
  253   1HB   TYR  93           HB2      TYR  93  10.194   4.020   9.995
  254   2HB   TYR  93           HB1      TYR  93  11.552   2.981   9.558
  255    HD1  TYR  93           HD1      TYR  93  10.918   5.728  12.045
  256    HD2  TYR  93           HD2      TYR  93  12.451   1.779  11.330
  257    HE1  TYR  93           HE1      TYR  93  11.547   5.539  14.437
  258    HE2  TYR  93           HE2      TYR  93  13.078   1.590  13.722
  259    HH   TYR  93           HH       TYR  93  12.432   2.580  15.875
  260    H    GLY  94           HN       GLY  94  12.554   3.683   7.404
  261   1HA   GLY  94           HA2      GLY  94  15.187   2.827   7.992
  262   2HA   GLY  94           HA1      GLY  94  14.524   2.958   6.359
  263    H    ILE  95           HN       ILE  95  14.037   5.665   6.164
  264    HA   ILE  95           HA       ILE  95  16.583   6.718   5.478
  265    HB   ILE  95           HB       ILE  95  13.876   7.958   5.926
  266   1HG1  ILE  95          HG12      ILE  95  15.383   8.546   3.489
  267   2HG1  ILE  95          HG11      ILE  95  15.211   6.813   3.762
  268   1HG2  ILE  95          HG22      ILE  95  16.482   9.445   5.493
  269   2HG2  ILE  95          HG21      ILE  95  14.897  10.146   5.166
  270   3HG2  ILE  95          HG23      ILE  95  15.330   9.671   6.809
  271   1HD1  ILE  95          HD11      ILE  95  12.700   7.942   4.383
  272   2HD1  ILE  95          HD13      ILE  95  13.220   8.719   2.887
  273   3HD1  ILE  95          HD12      ILE  95  13.106   6.961   2.974
  274    H    ARG  96           HN       ARG  96  14.626   7.285   8.444
  275    HA   ARG  96           HA       ARG  96  16.429   9.082   9.701
  276   1HB   ARG  96           HB2      ARG  96  15.008   6.952  11.287
  277   2HB   ARG  96           HB1      ARG  96  15.309   8.634  11.718
  278   1HG   ARG  96           HG2      ARG  96  13.296   7.547   9.755
  279   2HG   ARG  96           HG1      ARG  96  12.998   8.534  11.181
  280   1HD   ARG  96           HD2      ARG  96  14.174  10.427  10.125
  281   2HD   ARG  96           HD1      ARG  96  14.466   9.445   8.689
  282    HE   ARG  96           HE       ARG  96  11.724   9.328   8.997
  283   1HH1  ARG  96          HH21      ARG  96  14.098  11.388   7.790
  284   2HH1  ARG  96          HH22      ARG  96  13.041  12.735   7.529
  285   1HH2  ARG  96          HH11      ARG  96  10.335  11.260   9.118
  286   2HH2  ARG  96          HH12      ARG  96  10.912  12.663   8.281
  287    H    ARG  97           HN       ARG  97  16.300   5.522   9.822
  288    HA   ARG  97           HA       ARG  97  18.515   5.129  11.542
  289   1HB   ARG  97           HB2      ARG  97  17.103   3.483   9.505
  290   2HB   ARG  97           HB1      ARG  97  18.738   2.973   9.920
  291   1HG   ARG  97           HG2      ARG  97  17.650   3.544  12.392
  292   2HG   ARG  97           HG1      ARG  97  16.284   2.842  11.524
  293   1HD   ARG  97           HD2      ARG  97  17.898   0.979  10.808
  294   2HD   ARG  97           HD1      ARG  97  18.994   1.608  12.038
  295    HE   ARG  97           HE       ARG  97  16.602   1.275  13.395
  296   1HH1  ARG  97          HH21      ARG  97  19.279  -0.421  13.366
  297   2HH1  ARG  97          HH22      ARG  97  18.591  -2.010  13.308
  298   1HH2  ARG  97          HH11      ARG  97  15.415  -0.894  12.477
  299   2HH2  ARG  97          HH12      ARG  97  16.403  -2.277  12.805
  300    H    LEU  98           HN       LEU  98  18.449   5.373   7.978
  301    HA   LEU  98           HA       LEU  98  21.215   4.976   7.528
  302   1HB   LEU  98           HB2      LEU  98  18.948   6.065   6.048
  303   2HB   LEU  98           HB1      LEU  98  20.448   6.911   5.667
  304    HG   LEU  98           HG       LEU  98  20.871   4.039   5.828
  305   1HD1  LEU  98          HD12      LEU  98  18.801   5.088   3.877
  306   2HD1  LEU  98          HD11      LEU  98  19.615   3.534   3.704
  307   3HD1  LEU  98          HD13      LEU  98  18.571   3.833   5.093
  308   1HD2  LEU  98          HD21      LEU  98  21.744   6.341   4.368
  309   2HD2  LEU  98          HD23      LEU  98  22.463   4.731   4.393
  310   3HD2  LEU  98          HD22      LEU  98  21.221   5.123   3.204
  311    H    ILE  99           HN       ILE  99  19.442   8.013   8.154
  312    HA   ILE  99           HA       ILE  99  21.844   9.638   8.145
  313    HB   ILE  99           HB       ILE  99  20.361  11.370   9.138
  314   1HG1  ILE  99          HG12      ILE  99  18.214   9.238   9.044
  315   2HG1  ILE  99          HG11      ILE  99  19.085   9.648  10.521
  316   1HG2  ILE  99          HG23      ILE  99  20.302  10.400   6.614
  317   2HG2  ILE  99          HG22      ILE  99  18.626  10.113   7.077
  318   3HG2  ILE  99          HG21      ILE  99  19.290  11.744   7.143
  319   1HD1  ILE  99          HD13      ILE  99  18.070  12.003   9.094
  320   2HD1  ILE  99          HD12      ILE  99  16.791  10.909   9.623
  321   3HD1  ILE  99          HD11      ILE  99  17.925  11.574  10.800
  322    H    LYS 100           HN       LYS 100  20.056   7.832  10.565
  323    HA   LYS 100           HA       LYS 100  21.544   9.019  12.798
  324   1HB   LYS 100           HB2      LYS 100  19.107   7.860  12.681
  325   2HB   LYS 100           HB1      LYS 100  20.069   6.462  13.167
  326   1HG   LYS 100           HG2      LYS 100  19.569   7.382  15.242
  327   2HG   LYS 100           HG1      LYS 100  21.108   8.172  14.895
  328   1HD   LYS 100           HD2      LYS 100  19.602   9.985  13.737
  329   2HD   LYS 100           HD1      LYS 100  18.329   9.304  14.752
  330   1HE   LYS 100           HE2      LYS 100  20.514   9.568  16.474
  331   2HE   LYS 100           HE1      LYS 100  20.548  11.036  15.498
  332   1HZ   LYS 100           HZ1      LYS 100  18.134  11.269  15.990
  333   2HZ   LYS 100           HZ3      LYS 100  18.280   9.991  17.096
  334   3HZ   LYS 100           HZ2      LYS 100  19.143  11.433  17.347
  335    H    LYS 101           HN       LYS 101  23.096   7.875  14.076
  336    HA   LYS 101           HA       LYS 101  23.982   5.210  13.483
  337   1HB   LYS 101           HB2      LYS 101  25.222   7.450  11.966
  338   2HB   LYS 101           HB1      LYS 101  26.331   6.266  12.659
  339   1HG   LYS 101           HG2      LYS 101  25.840   4.840  10.992
  340   2HG   LYS 101           HG1      LYS 101  24.154   4.828  11.511
  341   1HD   LYS 101           HD2      LYS 101  23.690   5.800   9.522
  342   2HD   LYS 101           HD1      LYS 101  24.393   7.265  10.209
  343   1HE   LYS 101           HE2      LYS 101  25.616   6.979   8.220
  344   2HE   LYS 101           HE1      LYS 101  26.668   6.261   9.440
  345   1HZ   LYS 101           HZ2      LYS 101  24.712   4.467   8.284
  346   2HZ   LYS 101           HZ1      LYS 101  25.903   5.017   7.205
  347   3HZ   LYS 101           HZ3      LYS 101  26.357   4.210   8.626
  348   1H    VAL  62           HT1      VAL  62 -15.656 -13.722  24.829
  349   2H    VAL  62           HT3      VAL  62 -15.331 -12.188  25.475
  350   3H    VAL  62           HT2      VAL  62 -15.314 -12.421  23.793
  351    HA   VAL  62           HA       VAL  62 -13.066 -12.331  24.458
  352    HB   VAL  62           HB       VAL  62 -13.653 -12.816  26.887
  353   1HG1  VAL  62          HG13      VAL  62 -14.439 -15.290  25.721
  354   2HG1  VAL  62          HG12      VAL  62 -13.062 -15.622  26.771
  355   3HG1  VAL  62          HG11      VAL  62 -14.498 -14.831  27.422
  356   1HG2  VAL  62          HG21      VAL  62 -11.292 -13.042  25.539
  357   2HG2  VAL  62          HG23      VAL  62 -11.441 -13.221  27.287
  358   3HG2  VAL  62          HG22      VAL  62 -11.417 -14.650  26.254
  359    H    GLN  63           HN       GLN  63 -14.703 -13.760  22.522
  360    HA   GLN  63           HA       GLN  63 -13.729 -16.497  22.341
  361   1HB   GLN  63           HB2      GLN  63 -14.784 -16.477  20.111
  362   2HB   GLN  63           HB1      GLN  63 -15.879 -15.816  21.326
  363   1HG   GLN  63           HG2      GLN  63 -16.064 -13.986  20.020
  364   2HG   GLN  63           HG1      GLN  63 -14.394 -13.611  20.448
  365   1HE2  GLN  63          HE22      GLN  63 -15.190 -15.310  16.794
  366   2HE2  GLN  63          HE21      GLN  63 -16.351 -15.405  18.029
  367    H    LEU  64           HN       LEU  64 -11.726 -17.058  21.651
  368    HA   LEU  64           HA       LEU  64 -10.327 -15.204  19.765
  369   1HB   LEU  64           HB2      LEU  64  -9.543 -16.021  22.414
  370   2HB   LEU  64           HB1      LEU  64  -8.385 -16.646  21.239
  371    HG   LEU  64           HG       LEU  64  -8.727 -14.133  20.274
  372   1HD1  LEU  64          HD12      LEU  64  -9.600 -14.144  23.099
  373   2HD1  LEU  64          HD11      LEU  64  -8.412 -12.906  22.695
  374   3HD1  LEU  64          HD13      LEU  64  -9.941 -12.979  21.820
  375   1HD2  LEU  64          HD22      LEU  64  -6.819 -15.356  22.237
  376   2HD2  LEU  64          HD21      LEU  64  -6.528 -14.819  20.583
  377   3HD2  LEU  64          HD23      LEU  64  -6.674 -13.635  21.882
  378    H    ALA  65           HN       ALA  65 -11.768 -18.104  19.949
  379    HA   ALA  65           HA       ALA  65  -9.642 -19.611  18.527
  380   1HB   ALA  65           HB2      ALA  65 -11.100 -20.615  20.403
  381   2HB   ALA  65           HB1      ALA  65 -12.400 -20.633  19.212
  382   3HB   ALA  65           HB3      ALA  65 -10.928 -21.563  18.927
  383    H    HIS  66           HN       HIS  66 -12.283 -17.610  17.840
  384    HA   HIS  66           HA       HIS  66 -13.499 -17.201  15.872
  385   1HB   HIS  66           HB2      HIS  66 -10.775 -18.060  15.031
  386   2HB   HIS  66           HB1      HIS  66 -12.017 -18.036  13.778
  387    HD1  HIS  66           HD1      HIS  66  -9.957 -15.816  15.935
  388    HD2  HIS  66           HD2      HIS  66 -13.174 -15.422  13.314
  389    HE1  HIS  66           HE1      HIS  66 -10.187 -13.341  15.451
  390    H    HIS  67           HN       HIS  67 -15.244 -18.630  16.064
  391    HA   HIS  67           HA       HIS  67 -15.152 -21.443  15.733
  392   1HB   HIS  67           HB2      HIS  67 -17.096 -19.935  16.551
  393   2HB   HIS  67           HB1      HIS  67 -17.508 -19.782  14.844
  394    HD1  HIS  67           HD1      HIS  67 -16.103 -22.953  16.319
  395    HD2  HIS  67           HD2      HIS  67 -19.764 -21.490  14.967
  396    HE1  HIS  67           HE1      HIS  67 -17.673 -24.938  16.215
  397    H    PHE  68           HN       PHE  68 -16.610 -19.263  13.298
  398    HA   PHE  68           HA       PHE  68 -15.498 -21.086  11.210
  399   1HB   PHE  68           HB2      PHE  68 -18.107 -19.950  11.625
  400   2HB   PHE  68           HB1      PHE  68 -17.455 -19.349  10.100
  401    HD1  PHE  68           HD1      PHE  68 -18.161 -22.439  12.048
  402    HD2  PHE  68           HD2      PHE  68 -17.240 -20.767   8.201
  403    HE1  PHE  68           HE1      PHE  68 -18.630 -24.631  10.983
  404    HE2  PHE  68           HE2      PHE  68 -17.707 -22.958   7.136
  405    HZ   PHE  68           HZ       PHE  68 -18.402 -24.890   8.528
  406    H    SER  69           HN       SER  69 -14.541 -20.115   9.325
  407    HA   SER  69           HA       SER  69 -13.554 -17.342   9.819
  408   1HB   SER  69           HB2      SER  69 -12.462 -19.564   8.067
  409   2HB   SER  69           HB1      SER  69 -11.776 -17.945   8.163
  410    HG   SER  69           HG       SER  69 -12.172 -19.674  10.382
  411    H    GLU  70           HN       GLU  70 -13.448 -15.891   7.933
  412    HA   GLU  70           HA       GLU  70 -15.407 -16.630   5.798
  413   1HB   GLU  70           HB2      GLU  70 -16.302 -14.382   5.839
  414   2HB   GLU  70           HB1      GLU  70 -16.344 -15.010   7.487
  415   1HG   GLU  70           HG2      GLU  70 -14.030 -13.901   7.772
  416   2HG   GLU  70           HG1      GLU  70 -14.415 -13.020   6.293
  417    HA   PRO  71           HA       PRO  71 -12.174 -15.598   3.004
  418   1HB   PRO  71           HB2      PRO  71 -13.991 -14.725   0.967
  419   2HB   PRO  71           HB1      PRO  71 -13.205 -16.303   1.107
  420   1HG   PRO  71           HG2      PRO  71 -15.988 -15.666   1.561
  421   2HG   PRO  71           HG1      PRO  71 -15.204 -17.247   1.658
  422   1HD   PRO  71           HD2      PRO  71 -16.146 -15.612   3.834
  423   2HD   PRO  71           HD1      PRO  71 -15.348 -17.194   3.927
  424    H    GLU  72           HN       GLU  72 -14.712 -13.351   3.858
  425    HA   GLU  72           HA       GLU  72 -14.094 -10.999   2.549
  426   1HB   GLU  72           HB2      GLU  72 -15.720 -11.471   4.565
  427   2HB   GLU  72           HB1      GLU  72 -14.363 -10.907   5.541
  428   1HG   GLU  72           HG2      GLU  72 -15.012  -8.798   5.101
  429   2HG   GLU  72           HG1      GLU  72 -14.569  -9.073   3.415
  430    H    ILE  73           HN       ILE  73 -12.502 -11.951   5.627
  431    HA   ILE  73           HA       ILE  73 -10.506  -9.947   5.515
  432    HB   ILE  73           HB       ILE  73  -9.411 -11.120   7.229
  433   1HG1  ILE  73          HG12      ILE  73 -10.568 -13.663   6.040
  434   2HG1  ILE  73          HG11      ILE  73  -8.891 -13.126   5.908
  435   1HG2  ILE  73          HG23      ILE  73 -11.964 -10.721   7.566
  436   2HG2  ILE  73          HG22      ILE  73 -12.095 -12.474   7.427
  437   3HG2  ILE  73          HG21      ILE  73 -11.118 -11.761   8.711
  438   1HD1  ILE  73          HD12      ILE  73  -9.569 -13.058   8.665
  439   2HD1  ILE  73          HD11      ILE  73 -10.140 -14.603   8.035
  440   3HD1  ILE  73          HD13      ILE  73  -8.444 -14.153   7.860
  441    H    THR  74           HN       THR  74 -10.492 -13.278   4.229
  442    HA   THR  74           HA       THR  74  -7.924 -13.511   3.241
  443    HB   THR  74           HB       THR  74 -10.405 -14.160   1.621
  444    HG1  THR  74           HG1      THR  74  -9.830 -16.283   2.747
  445   1HG2  THR  74          HG22      THR  74  -7.573 -14.582   1.244
  446   2HG2  THR  74          HG21      THR  74  -8.404 -16.130   1.388
  447   3HG2  THR  74          HG23      THR  74  -8.906 -14.971   0.158
  448    H    LEU  75           HN       LEU  75 -10.609 -11.750   1.684
  449    HA   LEU  75           HA       LEU  75  -8.942 -10.771  -0.491
  450   1HB   LEU  75           HB2      LEU  75 -11.667 -10.849  -0.009
  451   2HB   LEU  75           HB1      LEU  75 -11.290  -9.144   0.225
  452    HG   LEU  75           HG       LEU  75 -10.633 -10.805  -2.226
  453   1HD1  LEU  75          HD11      LEU  75 -13.024  -9.671  -1.533
  454   2HD1  LEU  75          HD13      LEU  75 -12.260  -8.345  -2.409
  455   3HD1  LEU  75          HD12      LEU  75 -12.488  -9.908  -3.196
  456   1HD2  LEU  75          HD21      LEU  75  -9.302  -8.537  -1.220
  457   2HD2  LEU  75          HD23      LEU  75  -9.187  -9.189  -2.853
  458   3HD2  LEU  75          HD22      LEU  75 -10.362  -7.927  -2.490
  459    H    ILE  76           HN       ILE  76 -10.220  -9.302   2.522
  460    HA   ILE  76           HA       ILE  76  -9.028  -6.756   2.153
  461    HB   ILE  76           HB       ILE  76  -9.575  -8.284   4.715
  462   1HG1  ILE  76          HG12      ILE  76 -11.137  -6.008   3.482
  463   2HG1  ILE  76          HG11      ILE  76 -11.481  -7.694   3.100
  464   1HG2  ILE  76          HG22      ILE  76  -7.876  -6.439   4.938
  465   2HG2  ILE  76          HG21      ILE  76  -9.098  -5.317   4.342
  466   3HG2  ILE  76          HG23      ILE  76  -9.352  -6.171   5.863
  467   1HD1  ILE  76          HD13      ILE  76 -11.217  -7.131   5.981
  468   2HD1  ILE  76          HD12      ILE  76 -12.589  -6.341   5.204
  469   3HD1  ILE  76          HD11      ILE  76 -12.423  -8.094   5.128
  470    H    ILE  77           HN       ILE  77  -7.677  -9.632   3.843
  471    HA   ILE  77           HA       ILE  77  -5.186  -8.436   4.535
  472    HB   ILE  77           HB       ILE  77  -5.935 -11.305   3.923
  473   1HG1  ILE  77          HG12      ILE  77  -5.025 -10.364   6.592
  474   2HG1  ILE  77          HG11      ILE  77  -6.597  -9.772   6.053
  475   1HG2  ILE  77          HG21      ILE  77  -3.291 -10.052   4.564
  476   2HG2  ILE  77          HG23      ILE  77  -3.671 -11.621   5.273
  477   3HG2  ILE  77          HG22      ILE  77  -3.653 -11.427   3.521
  478   1HD1  ILE  77          HD11      ILE  77  -5.836 -12.698   5.959
  479   2HD1  ILE  77          HD13      ILE  77  -6.641 -11.966   7.347
  480   3HD1  ILE  77          HD12      ILE  77  -7.440 -11.992   5.776
  481    H    PHE  78           HN       PHE  78  -6.143 -10.308   1.690
  482    HA   PHE  78           HA       PHE  78  -3.669 -10.201   0.317
  483   1HB   PHE  78           HB2      PHE  78  -4.974 -11.625  -0.867
  484   2HB   PHE  78           HB1      PHE  78  -6.461 -10.848  -0.342
  485    HD1  PHE  78           HD1      PHE  78  -3.570 -10.387  -2.679
  486    HD2  PHE  78           HD2      PHE  78  -7.685  -9.540  -1.813
  487    HE1  PHE  78           HE1      PHE  78  -3.813  -9.319  -4.906
  488    HE2  PHE  78           HE2      PHE  78  -7.936  -8.469  -4.043
  489    HZ   PHE  78           HZ       PHE  78  -5.997  -8.360  -5.588
  490    H    GLY  79           HN       GLY  79  -6.442  -7.928   0.164
  491   1HA   GLY  79           HA2      GLY  79  -5.341  -6.189  -1.783
  492   2HA   GLY  79           HA1      GLY  79  -6.474  -5.678  -0.529
  493    H    VAL  80           HN       VAL  80  -5.000  -6.065   1.790
  494    HA   VAL  80           HA       VAL  80  -3.347  -3.756   1.869
  495    HB   VAL  80           HB       VAL  80  -3.324  -6.195   3.669
  496   1HG1  VAL  80          HG13      VAL  80  -1.462  -4.119   3.543
  497   2HG1  VAL  80          HG12      VAL  80  -2.558  -3.630   4.834
  498   3HG1  VAL  80          HG11      VAL  80  -1.732  -5.187   4.920
  499   1HG2  VAL  80          HG23      VAL  80  -5.345  -4.350   3.234
  500   2HG2  VAL  80          HG22      VAL  80  -5.145  -5.307   4.702
  501   3HG2  VAL  80          HG21      VAL  80  -4.493  -3.671   4.622
  502    H    MET  81           HN       MET  81  -2.458  -7.200   1.617
  503    HA   MET  81           HA       MET  81   0.355  -6.850   1.472
  504   1HB   MET  81           HB2      MET  81  -1.497  -8.935   0.301
  505   2HB   MET  81           HB1      MET  81   0.255  -9.027   0.118
  506   1HG   MET  81           HG2      MET  81   0.134  -8.581   2.769
  507   2HG   MET  81           HG1      MET  81  -1.419  -9.390   2.554
  508   1HE   MET  81           HE2      MET  81  -1.936 -11.313   2.132
  509   2HE   MET  81           HE1      MET  81  -1.147 -12.206   0.835
  510   3HE   MET  81           HE3      MET  81  -0.979 -12.742   2.511
  511    H    ALA  82           HN       ALA  82  -2.084  -6.952  -1.123
  512    HA   ALA  82           HA       ALA  82  -0.316  -6.621  -3.300
  513   1HB   ALA  82           HB1      ALA  82  -3.197  -6.395  -2.863
  514   2HB   ALA  82           HB3      ALA  82  -2.613  -5.238  -4.063
  515   3HB   ALA  82           HB2      ALA  82  -2.316  -6.961  -4.279
  516    H    GLY  83           HN       GLY  83  -1.958  -4.080  -1.342
  517   1HA   GLY  83           HA2      GLY  83  -0.970  -1.868  -2.810
  518   2HA   GLY  83           HA1      GLY  83  -1.366  -1.823  -1.090
  519    H    VAL  84           HN       VAL  84   0.475  -3.580  -0.015
  520    HA   VAL  84           HA       VAL  84   2.830  -2.007   0.178
  521    HB   VAL  84           HB       VAL  84   2.419  -4.963   0.710
  522   1HG1  VAL  84          HG12      VAL  84   4.832  -3.436   0.594
  523   2HG1  VAL  84          HG11      VAL  84   4.500  -3.796   2.287
  524   3HG1  VAL  84          HG13      VAL  84   4.627  -5.108   1.115
  525   1HG2  VAL  84          HG23      VAL  84   1.962  -2.436   2.214
  526   2HG2  VAL  84          HG22      VAL  84   1.107  -3.975   2.316
  527   3HG2  VAL  84          HG21      VAL  84   2.662  -3.774   3.125
  528    H    ILE  85           HN       ILE  85   2.231  -4.966  -1.746
  529    HA   ILE  85           HA       ILE  85   4.795  -5.169  -2.924
  530    HB   ILE  85           HB       ILE  85   2.053  -5.921  -3.960
  531   1HG1  ILE  85          HG12      ILE  85   4.324  -7.706  -3.069
  532   2HG1  ILE  85          HG11      ILE  85   3.151  -7.057  -1.922
  533   1HG2  ILE  85          HG22      ILE  85   4.782  -6.551  -5.127
  534   2HG2  ILE  85          HG21      ILE  85   3.265  -7.282  -5.649
  535   3HG2  ILE  85          HG23      ILE  85   3.537  -5.554  -5.879
  536   1HD1  ILE  85          HD13      ILE  85   2.068  -8.333  -4.387
  537   2HD1  ILE  85          HD12      ILE  85   2.769  -9.402  -3.173
  538   3HD1  ILE  85          HD11      ILE  85   1.428  -8.341  -2.744
  539    H    GLY  86           HN       GLY  86   1.912  -3.401  -4.112
  540   1HA   GLY  86           HA2      GLY  86   3.054  -2.437  -6.511
  541   2HA   GLY  86           HA1      GLY  86   1.775  -1.611  -5.621
  542    H    THR  87           HN       THR  87   3.050  -0.932  -3.260
  543    HA   THR  87           HA       THR  87   4.485   1.411  -3.968
  544    HB   THR  87           HB       THR  87   4.731  -0.125  -1.365
  545    HG1  THR  87           HG1      THR  87   2.570   0.247  -1.842
  546   1HG2  THR  87          HG23      THR  87   5.399   2.640  -2.294
  547   2HG2  THR  87          HG22      THR  87   4.850   2.419  -0.633
  548   3HG2  THR  87          HG21      THR  87   6.291   1.579  -1.203
  549    H    ILE  88           HN       ILE  88   5.701  -1.758  -2.859
  550    HA   ILE  88           HA       ILE  88   8.466  -1.138  -2.919
  551    HB   ILE  88           HB       ILE  88   6.999  -3.735  -3.447
  552   1HG1  ILE  88          HG12      ILE  88   8.530  -2.659  -1.056
  553   2HG1  ILE  88          HG11      ILE  88   6.776  -2.793  -1.177
  554   1HG2  ILE  88          HG22      ILE  88   9.964  -3.199  -3.104
  555   2HG2  ILE  88          HG21      ILE  88   9.230  -4.800  -3.024
  556   3HG2  ILE  88          HG23      ILE  88   9.174  -3.878  -4.527
  557   1HD1  ILE  88          HD12      ILE  88   8.683  -5.137  -1.403
  558   2HD1  ILE  88          HD11      ILE  88   7.817  -4.699   0.069
  559   3HD1  ILE  88          HD13      ILE  88   6.922  -5.213  -1.361
  560    H    LEU  89           HN       LEU  89   6.380  -2.455  -5.505
  561    HA   LEU  89           HA       LEU  89   8.383  -2.683  -7.489
  562   1HB   LEU  89           HB2      LEU  89   6.581  -3.554  -8.526
  563   2HB   LEU  89           HB1      LEU  89   5.505  -2.822  -7.342
  564    HG   LEU  89           HG       LEU  89   5.672  -0.669  -8.672
  565   1HD1  LEU  89          HD13      LEU  89   7.412  -2.465 -10.265
  566   2HD1  LEU  89          HD12      LEU  89   6.290  -1.472 -11.195
  567   3HD1  LEU  89          HD11      LEU  89   7.451  -0.708 -10.109
  568   1HD2  LEU  89          HD23      LEU  89   4.558  -3.152 -10.012
  569   2HD2  LEU  89          HD22      LEU  89   3.711  -2.100  -8.879
  570   3HD2  LEU  89          HD21      LEU  89   4.147  -1.503 -10.480
  571    H    LEU  90           HN       LEU  90   6.261   0.089  -6.718
  572    HA   LEU  90           HA       LEU  90   7.217   1.852  -8.728
  573   1HB   LEU  90           HB2      LEU  90   6.285   2.491  -5.911
  574   2HB   LEU  90           HB1      LEU  90   6.455   3.670  -7.212
  575    HG   LEU  90           HG       LEU  90   4.726   1.200  -7.462
  576   1HD1  LEU  90          HD13      LEU  90   4.150   3.894  -6.275
  577   2HD1  LEU  90          HD12      LEU  90   2.883   3.073  -7.184
  578   3HD1  LEU  90          HD11      LEU  90   3.586   2.305  -5.761
  579   1HD2  LEU  90          HD23      LEU  90   5.167   3.726  -9.044
  580   2HD2  LEU  90          HD22      LEU  90   5.157   2.055  -9.609
  581   3HD2  LEU  90          HD21      LEU  90   3.642   2.849  -9.174
  582    H    ILE  91           HN       ILE  91   8.401   1.362  -5.390
  583    HA   ILE  91           HA       ILE  91  10.485   3.283  -5.459
  584    HB   ILE  91           HB       ILE  91  10.410   0.603  -4.037
  585   1HG1  ILE  91          HG12      ILE  91   9.798   3.349  -2.924
  586   2HG1  ILE  91          HG11      ILE  91   8.545   2.312  -3.607
  587   1HG2  ILE  91          HG23      ILE  91  12.159   3.052  -3.697
  588   2HG2  ILE  91          HG22      ILE  91  12.014   1.791  -2.473
  589   3HG2  ILE  91          HG21      ILE  91  12.679   1.406  -4.060
  590   1HD1  ILE  91          HD11      ILE  91   9.369   0.494  -2.012
  591   2HD1  ILE  91          HD13      ILE  91  10.310   1.755  -1.216
  592   3HD1  ILE  91          HD12      ILE  91   8.551   1.864  -1.259
  593    H    SER  92           HN       SER  92  10.581  -0.182  -6.377
  594    HA   SER  92           HA       SER  92  13.325  -0.235  -7.095
  595   1HB   SER  92           HB2      SER  92  12.866  -2.278  -8.111
  596   2HB   SER  92           HB1      SER  92  11.471  -2.134  -7.047
  597    HG   SER  92           HG       SER  92  10.597  -2.527  -8.995
  598    H    TYR  93           HN       TYR  93  10.452   0.532  -9.080
  599    HA   TYR  93           HA       TYR  93  11.831   1.085 -11.498
  600   1HB   TYR  93           HB2      TYR  93   9.251   1.022 -10.915
  601   2HB   TYR  93           HB1      TYR  93   9.476   2.757 -10.688
  602    HD1  TYR  93           HD1      TYR  93  10.762   0.187 -13.110
  603    HD2  TYR  93           HD2      TYR  93   8.882   4.007 -12.553
  604    HE1  TYR  93           HE1      TYR  93  10.706   0.517 -15.568
  605    HE2  TYR  93           HE2      TYR  93   8.824   4.339 -15.010
  606    HH   TYR  93           HH       TYR  93   9.943   3.552 -16.996
  607    H    GLY  94           HN       GLY  94  10.959   3.297  -8.819
  608   1HA   GLY  94           HA2      GLY  94  12.065   5.658  -9.924
  609   2HA   GLY  94           HA1      GLY  94  11.906   5.348  -8.194
  610    H    ILE  95           HN       ILE  95  13.586   3.201  -7.822
  611    HA   ILE  95           HA       ILE  95  16.144   4.416  -7.658
  612    HB   ILE  95           HB       ILE  95  15.182   1.569  -7.482
  613   1HG1  ILE  95          HG12      ILE  95  16.621   2.183  -5.235
  614   2HG1  ILE  95          HG11      ILE  95  16.006   3.771  -5.693
  615   1HG2  ILE  95          HG22      ILE  95  17.998   2.515  -7.838
  616   2HG2  ILE  95          HG21      ILE  95  17.697   1.234  -6.666
  617   3HG2  ILE  95          HG23      ILE  95  17.250   1.004  -8.356
  618   1HD1  ILE  95          HD11      ILE  95  14.084   1.493  -5.782
  619   2HD1  ILE  95          HD13      ILE  95  14.573   2.073  -4.190
  620   3HD1  ILE  95          HD12      ILE  95  13.813   3.178  -5.335
  621    H    ARG  96           HN       ARG  96  14.909   2.079 -10.070
  622    HA   ARG  96           HA       ARG  96  17.277   1.875 -11.617
  623   1HB   ARG  96           HB2      ARG  96  15.319   0.430 -11.995
  624   2HB   ARG  96           HB1      ARG  96  14.395   1.819 -12.569
  625   1HG   ARG  96           HG2      ARG  96  15.281   1.627 -14.628
  626   2HG   ARG  96           HG1      ARG  96  16.917   1.658 -13.971
  627   1HD   ARG  96           HD2      ARG  96  16.631  -0.451 -15.115
  628   2HD   ARG  96           HD1      ARG  96  16.642  -0.779 -13.382
  629    HE   ARG  96           HE       ARG  96  13.955  -0.444 -13.977
  630   1HH1  ARG  96          HH21      ARG  96  14.988  -1.506 -16.689
  631   2HH1  ARG  96          HH22      ARG  96  14.663  -3.198 -16.507
  632   1HH2  ARG  96          HH11      ARG  96  14.206  -3.010 -13.074
  633   2HH2  ARG  96          HH12      ARG  96  14.220  -4.049 -14.460
  634    H    ARG  97           HN       ARG  97  14.559   4.174 -11.935
  635    HA   ARG  97           HA       ARG  97  15.560   5.592 -14.166
  636   1HB   ARG  97           HB2      ARG  97  13.306   5.994 -13.410
  637   2HB   ARG  97           HB1      ARG  97  13.877   6.532 -11.830
  638   1HG   ARG  97           HG2      ARG  97  15.232   8.104 -13.764
  639   2HG   ARG  97           HG1      ARG  97  13.531   8.077 -14.232
  640   1HD   ARG  97           HD2      ARG  97  12.943   8.668 -11.856
  641   2HD   ARG  97           HD1      ARG  97  14.664   8.876 -11.537
  642    HE   ARG  97           HE       ARG  97  13.169  10.942 -12.502
  643   1HH1  ARG  97          HH11      ARG  97  16.211   9.673 -13.045
  644   2HH1  ARG  97          HH12      ARG  97  16.515  10.546 -14.509
  645   1HH2  ARG  97          HH21      ARG  97  13.276  11.754 -14.775
  646   2HH2  ARG  97          HH22      ARG  97  14.854  11.724 -15.490
  647    H    LEU  98           HN       LEU  98  16.088   6.223 -10.690
  648    HA   LEU  98           HA       LEU  98  17.703   8.531 -10.982
  649   1HB   LEU  98           HB2      LEU  98  17.103   6.607  -8.884
  650   2HB   LEU  98           HB1      LEU  98  18.791   7.117  -8.820
  651    HG   LEU  98           HG       LEU  98  16.969   9.346  -9.337
  652   1HD1  LEU  98          HD12      LEU  98  16.332   7.428  -7.201
  653   2HD1  LEU  98          HD11      LEU  98  16.532   9.084  -6.628
  654   3HD1  LEU  98          HD13      LEU  98  15.345   8.723  -7.882
  655   1HD2  LEU  98          HD22      LEU  98  19.480   8.805  -8.126
  656   2HD2  LEU  98          HD21      LEU  98  18.719  10.379  -8.362
  657   3HD2  LEU  98          HD23      LEU  98  18.448   9.483  -6.867
  658    H    ILE  99           HN       ILE  99  18.657   5.099 -10.865
  659    HA   ILE  99           HA       ILE  99  21.466   5.675 -11.289
  660    HB   ILE  99           HB       ILE  99  21.651   3.224 -11.636
  661   1HG1  ILE  99          HG12      ILE  99  18.653   3.155 -11.235
  662   2HG1  ILE  99          HG11      ILE  99  19.385   3.124 -12.836
  663   1HG2  ILE  99          HG21      ILE  99  20.702   4.596  -9.323
  664   2HG2  ILE  99          HG23      ILE  99  19.883   3.035  -9.386
  665   3HG2  ILE  99          HG22      ILE  99  21.646   3.107  -9.388
  666   1HD1  ILE  99          HD13      ILE  99  20.217   1.179 -10.682
  667   2HD1  ILE  99          HD12      ILE  99  18.856   0.846 -11.754
  668   3HD1  ILE  99          HD11      ILE  99  20.474   1.059 -12.423
  669    H    LYS 100           HN       LYS 100  18.740   4.870 -13.404
  670    HA   LYS 100           HA       LYS 100  20.462   5.591 -15.719
  671   1HB   LYS 100           HB2      LYS 100  19.714   2.933 -15.087
  672   2HB   LYS 100           HB1      LYS 100  18.719   3.420 -16.461
  673   1HG   LYS 100           HG2      LYS 100  20.485   3.204 -17.838
  674   2HG   LYS 100           HG1      LYS 100  21.379   4.392 -16.889
  675   1HD   LYS 100           HD2      LYS 100  21.461   2.109 -15.305
  676   2HD   LYS 100           HD1      LYS 100  21.650   1.483 -16.943
  677   1HE   LYS 100           HE2      LYS 100  23.515   2.976 -17.362
  678   2HE   LYS 100           HE1      LYS 100  23.270   3.781 -15.811
  679   1HZ   LYS 100           HZ1      LYS 100  23.500   0.994 -15.428
  680   2HZ   LYS 100           HZ3      LYS 100  24.829   1.550 -16.324
  681   3HZ   LYS 100           HZ2      LYS 100  24.477   2.240 -14.812
  682    H    LYS 101           HN       LYS 101  19.365   6.772 -17.246
  683    HA   LYS 101           HA       LYS 101  16.683   6.620 -17.987
  684   1HB   LYS 101           HB2      LYS 101  15.952   7.126 -15.761
  685   2HB   LYS 101           HB1      LYS 101  17.116   8.442 -15.609
  686   1HG   LYS 101           HG2      LYS 101  14.805   9.263 -16.066
  687   2HG   LYS 101           HG1      LYS 101  15.946   9.724 -17.330
  688   1HD   LYS 101           HD2      LYS 101  14.674   8.676 -18.858
  689   2HD   LYS 101           HD1      LYS 101  14.897   7.153 -17.997
  690   1HE   LYS 101           HE2      LYS 101  12.918   9.112 -16.906
  691   2HE   LYS 101           HE1      LYS 101  12.471   8.181 -18.336
  692   1HZ   LYS 101           HZ3      LYS 101  13.611   6.884 -15.940
  693   2HZ   LYS 101           HZ2      LYS 101  11.944   7.183 -16.076
  694   3HZ   LYS 101           HZ1      LYS 101  12.725   6.179 -17.202
   
  No H/Q in entry =         694
  Start of MODEL   10
    1   1H    VAL  62           HT2      VAL  62 -32.402 -12.052  -6.248
    2   2H    VAL  62           HT1      VAL  62 -33.884 -12.883  -6.250
    3   3H    VAL  62           HT3      VAL  62 -33.611 -11.636  -7.367
    4    HA   VAL  62           HA       VAL  62 -34.859 -10.506  -5.853
    5    HB   VAL  62           HB       VAL  62 -33.521 -12.272  -3.784
    6   1HG1  VAL  62          HG12      VAL  62 -35.500  -9.997  -3.456
    7   2HG1  VAL  62          HG11      VAL  62 -35.111 -11.161  -2.189
    8   3HG1  VAL  62          HG13      VAL  62 -33.864 -10.076  -2.802
    9   1HG2  VAL  62          HG21      VAL  62 -35.967 -12.401  -5.365
   10   2HG2  VAL  62          HG23      VAL  62 -35.232 -13.639  -4.347
   11   3HG2  VAL  62          HG22      VAL  62 -36.311 -12.439  -3.635
   12    H    GLN  63           HN       GLN  63 -33.434  -8.847  -6.740
   13    HA   GLN  63           HA       GLN  63 -31.214  -8.097  -4.885
   14   1HB   GLN  63           HB2      GLN  63 -30.916  -8.620  -7.507
   15   2HB   GLN  63           HB1      GLN  63 -31.386  -6.927  -7.629
   16   1HG   GLN  63           HG2      GLN  63 -28.951  -8.120  -6.304
   17   2HG   GLN  63           HG1      GLN  63 -29.048  -6.801  -7.468
   18   1HE2  GLN  63          HE22      GLN  63 -29.646  -6.005  -3.494
   19   2HE2  GLN  63          HE21      GLN  63 -29.638  -7.613  -4.039
   20    H    LEU  64           HN       LEU  64 -34.204  -7.440  -4.901
   21    HA   LEU  64           HA       LEU  64 -35.553  -5.556  -4.501
   22   1HB   LEU  64           HB2      LEU  64 -32.858  -4.915  -3.423
   23   2HB   LEU  64           HB1      LEU  64 -33.964  -3.555  -3.625
   24    HG   LEU  64           HG       LEU  64 -34.128  -4.639  -1.368
   25   1HD1  LEU  64          HD11      LEU  64 -36.142  -3.729  -3.032
   26   2HD1  LEU  64          HD13      LEU  64 -36.756  -5.295  -2.499
   27   3HD1  LEU  64          HD12      LEU  64 -36.319  -4.068  -1.310
   28   1HD2  LEU  64          HD22      LEU  64 -33.699  -6.968  -2.336
   29   2HD2  LEU  64          HD21      LEU  64 -34.997  -6.859  -1.146
   30   3HD2  LEU  64          HD23      LEU  64 -35.382  -6.954  -2.863
   31    H    ALA  65           HN       ALA  65 -32.754  -3.568  -5.302
   32    HA   ALA  65           HA       ALA  65 -33.017  -3.172  -8.023
   33   1HB   ALA  65           HB1      ALA  65 -35.275  -1.980  -6.510
   34   2HB   ALA  65           HB3      ALA  65 -34.543  -0.955  -7.744
   35   3HB   ALA  65           HB2      ALA  65 -35.208  -2.526  -8.185
   36    H    HIS  66           HN       HIS  66 -32.483  -1.793  -4.877
   37    HA   HIS  66           HA       HIS  66 -30.870   0.403  -6.083
   38   1HB   HIS  66           HB2      HIS  66 -31.403   0.069  -3.136
   39   2HB   HIS  66           HB1      HIS  66 -31.056   1.547  -4.034
   40    HD1  HIS  66           HD1      HIS  66 -33.056   2.924  -4.584
   41    HD2  HIS  66           HD2      HIS  66 -34.062  -1.086  -4.042
   42    HE1  HIS  66           HE1      HIS  66 -35.575   2.780  -4.807
   43    H    HIS  67           HN       HIS  67 -29.184   0.677  -3.727
   44    HA   HIS  67           HA       HIS  67 -27.205  -0.198  -2.803
   45   1HB   HIS  67           HB2      HIS  67 -28.884  -2.482  -3.184
   46   2HB   HIS  67           HB1      HIS  67 -27.253  -2.911  -3.697
   47    HD1  HIS  67           HD1      HIS  67 -26.763  -4.343  -1.596
   48    HD2  HIS  67           HD2      HIS  67 -27.753  -0.389  -0.723
   49    HE1  HIS  67           HE1      HIS  67 -26.200  -3.986   0.847
   50    H    PHE  68           HN       PHE  68 -25.066  -0.859  -3.582
   51    HA   PHE  68           HA       PHE  68 -24.893  -0.882  -6.571
   52   1HB   PHE  68           HB2      PHE  68 -22.758   0.267  -4.774
   53   2HB   PHE  68           HB1      PHE  68 -23.013   0.550  -6.496
   54    HD1  PHE  68           HD1      PHE  68 -25.861   1.112  -6.698
   55    HD2  PHE  68           HD2      PHE  68 -23.054   2.318  -3.680
   56    HE1  PHE  68           HE1      PHE  68 -27.280   3.075  -6.164
   57    HE2  PHE  68           HE2      PHE  68 -24.471   4.282  -3.145
   58    HZ   PHE  68           HZ       PHE  68 -26.584   4.660  -4.387
   59    H    SER  69           HN       SER  69 -23.288  -1.867  -3.540
   60    HA   SER  69           HA       SER  69 -22.661  -4.479  -4.574
   61   1HB   SER  69           HB2      SER  69 -20.941  -2.603  -5.563
   62   2HB   SER  69           HB1      SER  69 -20.106  -3.071  -4.085
   63    HG   SER  69           HG       SER  69 -20.981  -4.727  -6.216
   64    H    GLU  70           HN       GLU  70 -20.576  -5.252  -3.010
   65    HA   GLU  70           HA       GLU  70 -21.690  -4.874  -0.299
   66   1HB   GLU  70           HB2      GLU  70 -19.723  -6.797  -1.535
   67   2HB   GLU  70           HB1      GLU  70 -19.867  -6.655   0.217
   68   1HG   GLU  70           HG2      GLU  70 -22.341  -7.008  -1.450
   69   2HG   GLU  70           HG1      GLU  70 -21.347  -8.411  -1.058
   70    HA   PRO  71           HA       PRO  71 -18.693  -1.971   1.027
   71   1HB   PRO  71           HB2      PRO  71 -18.448  -3.135   3.645
   72   2HB   PRO  71           HB1      PRO  71 -19.396  -1.721   3.169
   73   1HG   PRO  71           HG2      PRO  71 -20.378  -4.336   3.887
   74   2HG   PRO  71           HG1      PRO  71 -21.320  -2.918   3.409
   75   1HD   PRO  71           HD2      PRO  71 -20.829  -5.312   1.875
   76   2HD   PRO  71           HD1      PRO  71 -21.776  -3.887   1.400
   77    H    GLU  72           HN       GLU  72 -18.136  -5.344   0.931
   78    HA   GLU  72           HA       GLU  72 -15.652  -5.770   2.086
   79   1HB   GLU  72           HB2      GLU  72 -17.191  -6.986  -0.013
   80   2HB   GLU  72           HB1      GLU  72 -15.500  -6.921  -0.513
   81   1HG   GLU  72           HG2      GLU  72 -14.928  -7.850   1.799
   82   2HG   GLU  72           HG1      GLU  72 -16.651  -8.184   1.981
   83    H    ILE  73           HN       ILE  73 -16.349  -4.036  -0.930
   84    HA   ILE  73           HA       ILE  73 -13.596  -3.685  -1.685
   85    HB   ILE  73           HB       ILE  73 -15.751  -3.416  -3.110
   86   1HG1  ILE  73          HG12      ILE  73 -14.536  -1.393  -4.315
   87   2HG1  ILE  73          HG11      ILE  73 -13.270  -1.756  -3.142
   88   1HG2  ILE  73          HG21      ILE  73 -16.783  -1.741  -1.554
   89   2HG2  ILE  73          HG23      ILE  73 -15.514  -0.602  -2.003
   90   3HG2  ILE  73          HG22      ILE  73 -16.663  -1.165  -3.217
   91   1HD1  ILE  73          HD13      ILE  73 -13.987  -4.264  -4.040
   92   2HD1  ILE  73          HD12      ILE  73 -14.117  -3.284  -5.501
   93   3HD1  ILE  73          HD11      ILE  73 -12.595  -3.344  -4.612
   94    H    THR  74           HN       THR  74 -15.851  -1.871   0.333
   95    HA   THR  74           HA       THR  74 -14.284   0.510   0.595
   96    HB   THR  74           HB       THR  74 -15.807  -0.303   2.984
   97    HG1  THR  74           HG1      THR  74 -16.951  -0.258   0.400
   98   1HG2  THR  74          HG23      THR  74 -14.967   2.035   1.999
   99   2HG2  THR  74          HG22      THR  74 -16.538   1.973   1.201
  100   3HG2  THR  74          HG21      THR  74 -16.440   1.911   2.961
  101    H    LEU  75           HN       LEU  75 -14.444  -2.449   2.602
  102    HA   LEU  75           HA       LEU  75 -12.281  -1.491   4.323
  103   1HB   LEU  75           HB2      LEU  75 -14.212  -3.220   4.841
  104   2HB   LEU  75           HB1      LEU  75 -13.068  -4.382   4.168
  105    HG   LEU  75           HG       LEU  75 -12.676  -2.562   6.552
  106   1HD1  LEU  75          HD13      LEU  75 -13.686  -5.074   6.432
  107   2HD1  LEU  75          HD12      LEU  75 -11.966  -5.444   6.553
  108   3HD1  LEU  75          HD11      LEU  75 -12.751  -4.477   7.803
  109   1HD2  LEU  75          HD22      LEU  75 -10.661  -4.055   4.868
  110   2HD2  LEU  75          HD21      LEU  75 -10.606  -2.377   5.406
  111   3HD2  LEU  75          HD23      LEU  75 -10.348  -3.683   6.562
  112    H    ILE  76           HN       ILE  76 -12.555  -4.007   1.775
  113    HA   ILE  76           HA       ILE  76  -9.850  -4.852   1.894
  114    HB   ILE  76           HB       ILE  76 -11.751  -4.675  -0.465
  115   1HG1  ILE  76          HG12      ILE  76 -10.852  -7.111   1.083
  116   2HG1  ILE  76          HG11      ILE  76 -12.258  -6.163   1.570
  117   1HG2  ILE  76          HG21      ILE  76  -9.249  -4.733  -1.022
  118   2HG2  ILE  76          HG23      ILE  76  -9.234  -6.339  -0.294
  119   3HG2  ILE  76          HG22      ILE  76 -10.238  -6.018  -1.709
  120   1HD1  ILE  76          HD13      ILE  76 -12.258  -6.766  -1.290
  121   2HD1  ILE  76          HD12      ILE  76 -12.267  -8.221  -0.294
  122   3HD1  ILE  76          HD11      ILE  76 -13.530  -7.008  -0.093
  123    H    ILE  77           HN       ILE  77 -11.344  -2.271  -0.095
  124    HA   ILE  77           HA       ILE  77  -8.935  -1.406  -1.337
  125    HB   ILE  77           HB       ILE  77 -11.382  -0.682  -1.818
  126   1HG1  ILE  77          HG12      ILE  77  -9.471   1.639  -1.755
  127   2HG1  ILE  77          HG11      ILE  77  -9.106   0.230  -2.751
  128   1HG2  ILE  77          HG23      ILE  77 -10.608   1.331   0.314
  129   2HG2  ILE  77          HG22      ILE  77 -12.011   1.461  -0.745
  130   3HG2  ILE  77          HG21      ILE  77 -11.908   0.147   0.423
  131   1HD1  ILE  77          HD11      ILE  77 -11.736   0.652  -3.376
  132   2HD1  ILE  77          HD13      ILE  77 -11.175   2.304  -3.114
  133   3HD1  ILE  77          HD12      ILE  77 -10.382   1.282  -4.313
  134    H    PHE  78           HN       PHE  78 -10.497  -0.347   1.686
  135    HA   PHE  78           HA       PHE  78  -8.582   1.608   2.428
  136   1HB   PHE  78           HB2      PHE  78 -10.675   0.065   3.811
  137   2HB   PHE  78           HB1      PHE  78  -9.329   0.530   4.848
  138    HD1  PHE  78           HD1      PHE  78 -11.159   2.129   1.983
  139    HD2  PHE  78           HD2      PHE  78  -9.711   2.506   6.009
  140    HE1  PHE  78           HE1      PHE  78 -12.021   4.453   2.075
  141    HE2  PHE  78           HE2      PHE  78 -10.574   4.829   6.102
  142    HZ   PHE  78           HZ       PHE  78 -11.728   5.802   4.134
  143    H    GLY  79           HN       GLY  79  -8.645  -1.891   3.195
  144   1HA   GLY  79           HA2      GLY  79  -6.291  -1.940   4.766
  145   2HA   GLY  79           HA1      GLY  79  -6.870  -3.308   3.813
  146    H    VAL  80           HN       VAL  80  -6.639  -2.347   1.217
  147    HA   VAL  80           HA       VAL  80  -3.877  -2.709   0.660
  148    HB   VAL  80           HB       VAL  80  -5.991  -1.323  -1.016
  149   1HG1  VAL  80          HG12      VAL  80  -3.227  -2.383  -1.647
  150   2HG1  VAL  80          HG11      VAL  80  -4.441  -2.096  -2.894
  151   3HG1  VAL  80          HG13      VAL  80  -3.847  -0.753  -1.916
  152   1HG2  VAL  80          HG23      VAL  80  -5.942  -3.938  -0.140
  153   2HG2  VAL  80          HG22      VAL  80  -6.724  -3.395  -1.625
  154   3HG2  VAL  80          HG21      VAL  80  -5.090  -4.055  -1.679
  155    H    MET  81           HN       MET  81  -5.806   0.286   0.819
  156    HA   MET  81           HA       MET  81  -3.698   2.115   0.286
  157   1HB   MET  81           HB2      MET  81  -6.032   2.530   2.179
  158   2HB   MET  81           HB1      MET  81  -5.101   3.788   1.364
  159   1HG   MET  81           HG2      MET  81  -6.105   1.839  -0.540
  160   2HG   MET  81           HG1      MET  81  -7.422   2.540   0.401
  161   1HE   MET  81           HE2      MET  81  -6.874   4.803   1.340
  162   2HE   MET  81           HE1      MET  81  -5.771   5.975   0.622
  163   3HE   MET  81           HE3      MET  81  -7.483   5.976   0.176
  164    H    ALA  82           HN       ALA  82  -4.876   0.786   3.369
  165    HA   ALA  82           HA       ALA  82  -3.089   2.144   5.083
  166   1HB   ALA  82           HB3      ALA  82  -4.905  -0.118   5.291
  167   2HB   ALA  82           HB2      ALA  82  -3.436  -0.393   6.234
  168   3HB   ALA  82           HB1      ALA  82  -4.416   1.041   6.525
  169    H    GLY  83           HN       GLY  83  -2.644  -1.018   3.418
  170   1HA   GLY  83           HA2      GLY  83  -0.111  -1.610   4.532
  171   2HA   GLY  83           HA1      GLY  83  -0.643  -2.144   2.936
  172    H    VAL  84           HN       VAL  84  -0.921   0.250   1.575
  173    HA   VAL  84           HA       VAL  84   1.747   0.861   0.822
  174    HB   VAL  84           HB       VAL  84  -0.747   2.565   0.537
  175   1HG1  VAL  84          HG12      VAL  84   1.415   3.801   0.241
  176   2HG1  VAL  84          HG11      VAL  84   1.852   2.653  -1.025
  177   3HG1  VAL  84          HG13      VAL  84   0.458   3.712  -1.238
  178   1HG2  VAL  84          HG23      VAL  84   0.550   0.448  -1.200
  179   2HG2  VAL  84          HG22      VAL  84  -1.082   0.440  -0.534
  180   3HG2  VAL  84          HG21      VAL  84  -0.657   1.581  -1.811
  181    H    ILE  85           HN       ILE  85  -0.477   2.681   2.962
  182    HA   ILE  85           HA       ILE  85   1.282   4.810   3.596
  183    HB   ILE  85           HB       ILE  85  -0.763   3.492   5.410
  184   1HG1  ILE  85          HG12      ILE  85  -1.855   4.129   3.367
  185   2HG1  ILE  85          HG11      ILE  85  -2.205   5.401   4.538
  186   1HG2  ILE  85          HG23      ILE  85   1.104   5.388   6.070
  187   2HG2  ILE  85          HG22      ILE  85  -0.250   6.393   5.557
  188   3HG2  ILE  85          HG21      ILE  85  -0.464   5.221   6.857
  189   1HD1  ILE  85          HD13      ILE  85   0.124   6.330   3.477
  190   2HD1  ILE  85          HD12      ILE  85  -0.564   5.503   2.078
  191   3HD1  ILE  85          HD11      ILE  85  -1.472   6.784   2.880
  192    H    GLY  86           HN       GLY  86   0.843   1.671   5.257
  193   1HA   GLY  86           HA2      GLY  86   2.718   2.081   7.331
  194   2HA   GLY  86           HA1      GLY  86   2.297   0.501   6.671
  195    H    THR  87           HN       THR  87   3.230   0.693   4.072
  196    HA   THR  87           HA       THR  87   5.988   0.131   4.361
  197    HB   THR  87           HB       THR  87   4.574   1.104   1.861
  198    HG1  THR  87           HG1      THR  87   3.559  -0.700   2.752
  199   1HG2  THR  87          HG22      THR  87   7.173  -0.343   2.378
  200   2HG2  THR  87          HG21      THR  87   6.368  -0.400   0.810
  201   3HG2  THR  87          HG23      THR  87   6.916   1.143   1.464
  202    H    ILE  88           HN       ILE  88   4.410   3.140   3.210
  203    HA   ILE  88           HA       ILE  88   6.799   4.597   2.725
  204    HB   ILE  88           HB       ILE  88   4.143   5.632   3.768
  205   1HG1  ILE  88          HG12      ILE  88   5.237   5.287   0.957
  206   2HG1  ILE  88          HG11      ILE  88   3.895   4.391   1.671
  207   1HG2  ILE  88          HG23      ILE  88   6.221   7.135   3.937
  208   2HG2  ILE  88          HG22      ILE  88   6.224   7.134   2.174
  209   3HG2  ILE  88          HG21      ILE  88   4.843   7.789   3.053
  210   1HD1  ILE  88          HD11      ILE  88   3.484   7.252   1.939
  211   2HD1  ILE  88          HD13      ILE  88   3.723   6.804   0.250
  212   3HD1  ILE  88          HD12      ILE  88   2.441   6.043   1.192
  213    H    LEU  89           HN       LEU  89   4.850   4.351   5.713
  214    HA   LEU  89           HA       LEU  89   6.481   6.021   7.324
  215   1HB   LEU  89           HB2      LEU  89   4.745   5.540   8.688
  216   2HB   LEU  89           HB1      LEU  89   4.294   4.156   7.701
  217    HG   LEU  89           HG       LEU  89   6.091   2.836   8.887
  218   1HD1  LEU  89          HD11      LEU  89   6.722   5.435   9.877
  219   2HD1  LEU  89          HD13      LEU  89   6.202   4.457  11.249
  220   3HD1  LEU  89          HD12      LEU  89   7.537   3.912  10.234
  221   1HD2  LEU  89          HD22      LEU  89   3.881   4.064  10.567
  222   2HD2  LEU  89          HD21      LEU  89   3.741   2.632   9.548
  223   3HD2  LEU  89          HD23      LEU  89   4.761   2.595  10.986
  224    H    LEU  90           HN       LEU  90   6.635   2.509   6.756
  225    HA   LEU  90           HA       LEU  90   8.854   1.938   8.428
  226   1HB   LEU  90           HB2      LEU  90   7.948   0.676   5.825
  227   2HB   LEU  90           HB1      LEU  90   9.237   0.010   6.829
  228    HG   LEU  90           HG       LEU  90   6.634   0.678   8.144
  229   1HD1  LEU  90          HD11      LEU  90   7.128  -1.653   6.285
  230   2HD1  LEU  90          HD13      LEU  90   5.925  -1.723   7.572
  231   3HD1  LEU  90          HD12      LEU  90   5.769  -0.529   6.284
  232   1HD2  LEU  90          HD22      LEU  90   8.664  -0.140   9.380
  233   2HD2  LEU  90          HD21      LEU  90   7.264  -1.197   9.560
  234   3HD2  LEU  90          HD23      LEU  90   8.568  -1.640   8.458
  235    H    ILE  91           HN       ILE  91   8.798   2.886   4.979
  236    HA   ILE  91           HA       ILE  91  11.594   2.789   4.538
  237    HB   ILE  91           HB       ILE  91   9.522   4.664   3.359
  238   1HG1  ILE  91          HG12      ILE  91  10.703   2.027   2.428
  239   2HG1  ILE  91          HG11      ILE  91   9.040   2.301   2.949
  240   1HG2  ILE  91          HG22      ILE  91  12.430   4.187   2.774
  241   2HG2  ILE  91          HG21      ILE  91  11.335   4.589   1.451
  242   3HG2  ILE  91          HG23      ILE  91  11.534   5.706   2.800
  243   1HD1  ILE  91          HD12      ILE  91   9.370   4.231   1.009
  244   2HD1  ILE  91          HD11      ILE  91  10.312   2.886   0.364
  245   3HD1  ILE  91          HD13      ILE  91   8.606   2.663   0.753
  246    H    SER  92           HN       SER  92   9.603   5.546   5.700
  247    HA   SER  92           HA       SER  92  11.759   7.385   5.928
  248   1HB   SER  92           HB2      SER  92   9.650   7.342   8.052
  249   2HB   SER  92           HB1      SER  92  10.304   8.710   7.156
  250    HG   SER  92           HG       SER  92   8.709   8.471   5.823
  251    H    TYR  93           HN       TYR  93  10.458   5.049   8.290
  252    HA   TYR  93           HA       TYR  93  12.309   5.561  10.384
  253   1HB   TYR  93           HB2      TYR  93  10.224   3.780   9.972
  254   2HB   TYR  93           HB1      TYR  93  11.635   2.724  10.062
  255    HD1  TYR  93           HD1      TYR  93  13.310   3.175  12.008
  256    HD2  TYR  93           HD2      TYR  93   9.259   4.601  11.948
  257    HE1  TYR  93           HE1      TYR  93  13.374   3.463  14.471
  258    HE2  TYR  93           HE2      TYR  93   9.323   4.889  14.410
  259    HH   TYR  93           HH       TYR  93  11.602   5.272  16.156
  260    H    GLY  94           HN       GLY  94  12.499   3.258   7.665
  261   1HA   GLY  94           HA2      GLY  94  15.002   2.100   8.278
  262   2HA   GLY  94           HA1      GLY  94  14.351   2.258   6.644
  263    H    ILE  95           HN       ILE  95  14.235   5.003   6.349
  264    HA   ILE  95           HA       ILE  95  16.890   5.665   5.614
  265    HB   ILE  95           HB       ILE  95  14.419   7.329   6.106
  266   1HG1  ILE  95          HG12      ILE  95  15.551   7.668   3.532
  267   2HG1  ILE  95          HG11      ILE  95  15.652   5.945   3.894
  268   1HG2  ILE  95          HG21      ILE  95  17.231   8.272   5.555
  269   2HG2  ILE  95          HG23      ILE  95  15.838   9.195   4.991
  270   3HG2  ILE  95          HG22      ILE  95  16.064   8.907   6.717
  271   1HD1  ILE  95          HD12      ILE  95  13.114   6.743   4.803
  272   2HD1  ILE  95          HD11      ILE  95  13.319   7.538   3.242
  273   3HD1  ILE  95          HD13      ILE  95  13.466   5.785   3.366
  274    H    ARG  96           HN       ARG  96  15.063   6.614   8.566
  275    HA   ARG  96           HA       ARG  96  17.131   8.169   9.750
  276   1HB   ARG  96           HB2      ARG  96  15.470   6.352  11.468
  277   2HB   ARG  96           HB1      ARG  96  15.947   8.023  11.756
  278   1HG   ARG  96           HG2      ARG  96  13.821   7.004   9.869
  279   2HG   ARG  96           HG1      ARG  96  13.617   8.080  11.246
  280   1HD   ARG  96           HD2      ARG  96  15.111   9.739  10.055
  281   2HD   ARG  96           HD1      ARG  96  15.008   8.701   8.631
  282    HE   ARG  96           HE       ARG  96  12.364   9.110   9.320
  283   1HH1  ARG  96          HH21      ARG  96  14.577  10.501   7.336
  284   2HH1  ARG  96          HH22      ARG  96  13.893  12.092   7.334
  285   1HH2  ARG  96          HH11      ARG  96  11.694  11.438   9.932
  286   2HH2  ARG  96          HH12      ARG  96  12.263  12.622   8.803
  287    H    ARG  97           HN       ARG  97  16.461   4.676  10.014
  288    HA   ARG  97           HA       ARG  97  18.595   4.014  11.747
  289   1HB   ARG  97           HB2      ARG  97  16.828   2.410  11.169
  290   2HB   ARG  97           HB1      ARG  97  17.395   2.366   9.499
  291   1HG   ARG  97           HG2      ARG  97  19.602   1.868  11.290
  292   2HG   ARG  97           HG1      ARG  97  18.280   0.757  11.646
  293   1HD   ARG  97           HD2      ARG  97  19.288   1.253   8.837
  294   2HD   ARG  97           HD1      ARG  97  19.917  -0.034   9.862
  295    HE   ARG  97           HE       ARG  97  17.703  -0.444   8.332
  296   1HH1  ARG  97          HH11      ARG  97  18.691  -1.640  11.182
  297   2HH1  ARG  97          HH12      ARG  97  17.127  -1.922  11.870
  298   1HH2  ARG  97          HH21      ARG  97  15.440  -0.109   9.443
  299   2HH2  ARG  97          HH22      ARG  97  15.286  -1.056  10.885
  300    H    LEU  98           HN       LEU  98  18.553   4.110   8.172
  301    HA   LEU  98           HA       LEU  98  21.224   3.262   7.759
  302   1HB   LEU  98           HB2      LEU  98  19.135   4.484   6.201
  303   2HB   LEU  98           HB1      LEU  98  20.661   5.299   5.859
  304    HG   LEU  98           HG       LEU  98  20.604   2.301   5.969
  305   1HD1  LEU  98          HD12      LEU  98  19.558   4.062   3.748
  306   2HD1  LEU  98          HD11      LEU  98  20.195   2.449   3.429
  307   3HD1  LEU  98          HD13      LEU  98  18.790   2.650   4.477
  308   1HD2  LEU  98          HD22      LEU  98  22.200   4.448   4.557
  309   2HD2  LEU  98          HD21      LEU  98  22.773   3.261   5.728
  310   3HD2  LEU  98          HD23      LEU  98  22.316   2.748   4.104
  311    H    ILE  99           HN       ILE  99  19.927   6.546   8.245
  312    HA   ILE  99           HA       ILE  99  22.570   7.770   8.255
  313    HB   ILE  99           HB       ILE  99  21.343   9.780   9.030
  314   1HG1  ILE  99          HG12      ILE  99  18.915   7.963   9.027
  315   2HG1  ILE  99          HG11      ILE  99  19.759   8.466  10.492
  316   1HG2  ILE  99          HG22      ILE  99  20.437   8.147   6.699
  317   2HG2  ILE  99          HG21      ILE  99  19.491   9.580   7.104
  318   3HG2  ILE  99          HG23      ILE  99  21.207   9.735   6.725
  319   1HD1  ILE  99          HD11      ILE  99  18.511  10.346   8.464
  320   2HD1  ILE  99          HD13      ILE  99  17.809   9.923  10.025
  321   3HD1  ILE  99          HD12      ILE  99  19.322  10.826   9.955
  322    H    LYS 100           HN       LYS 100  20.708   6.008  10.508
  323    HA   LYS 100           HA       LYS 100  21.990   7.258  12.861
  324   1HB   LYS 100           HB2      LYS 100  19.598   6.603  12.963
  325   2HB   LYS 100           HB1      LYS 100  20.061   4.923  12.681
  326   1HG   LYS 100           HG2      LYS 100  21.705   5.681  14.782
  327   2HG   LYS 100           HG1      LYS 100  20.182   6.494  15.149
  328   1HD   LYS 100           HD2      LYS 100  19.144   4.146  14.498
  329   2HD   LYS 100           HD1      LYS 100  20.756   3.563  14.915
  330   1HE   LYS 100           HE2      LYS 100  19.371   5.450  16.787
  331   2HE   LYS 100           HE1      LYS 100  18.893   3.751  16.778
  332   1HZ   LYS 100           HZ2      LYS 100  21.486   3.432  16.837
  333   2HZ   LYS 100           HZ1      LYS 100  21.433   4.967  17.563
  334   3HZ   LYS 100           HZ3      LYS 100  20.592   3.671  18.262
  335    H    LYS 101           HN       LYS 101  24.185   6.608  12.270
  336    HA   LYS 101           HA       LYS 101  25.273   4.483  13.641
  337   1HB   LYS 101           HB2      LYS 101  25.675   2.793  11.757
  338   2HB   LYS 101           HB1      LYS 101  24.053   2.822  12.440
  339   1HG   LYS 101           HG2      LYS 101  23.142   3.891  10.567
  340   2HG   LYS 101           HG1      LYS 101  24.701   4.543  10.060
  341   1HD   LYS 101           HD2      LYS 101  24.293   1.568  10.138
  342   2HD   LYS 101           HD1      LYS 101  23.686   2.498   8.768
  343   1HE   LYS 101           HE2      LYS 101  25.790   3.027   8.015
  344   2HE   LYS 101           HE1      LYS 101  26.473   3.069   9.641
  345   1HZ   LYS 101           HZ3      LYS 101  25.586   0.459   9.036
  346   2HZ   LYS 101           HZ2      LYS 101  26.621   1.002   7.803
  347   3HZ   LYS 101           HZ1      LYS 101  27.151   0.989   9.416
  348   1H    VAL  62           HT2      VAL  62 -30.510 -17.807  -5.802
  349   2H    VAL  62           HT1      VAL  62 -30.818 -16.558  -6.912
  350   3H    VAL  62           HT3      VAL  62 -30.952 -16.263  -5.246
  351    HA   VAL  62           HA       VAL  62 -33.122 -16.631  -5.515
  352    HB   VAL  62           HB       VAL  62 -32.923 -16.461  -7.949
  353   1HG1  VAL  62          HG12      VAL  62 -31.074 -18.289  -7.955
  354   2HG1  VAL  62          HG11      VAL  62 -32.414 -19.431  -8.060
  355   3HG1  VAL  62          HG13      VAL  62 -32.182 -18.224  -9.326
  356   1HG2  VAL  62          HG21      VAL  62 -34.616 -18.627  -6.745
  357   2HG2  VAL  62          HG23      VAL  62 -35.110 -17.085  -7.444
  358   3HG2  VAL  62          HG22      VAL  62 -34.625 -18.416  -8.495
  359    H    GLN  63           HN       GLN  63 -32.374 -17.977  -3.570
  360    HA   GLN  63           HA       GLN  63 -33.604 -20.603  -3.747
  361   1HB   GLN  63           HB2      GLN  63 -31.463 -21.756  -2.886
  362   2HB   GLN  63           HB1      GLN  63 -31.531 -21.374  -4.607
  363   1HG   GLN  63           HG2      GLN  63 -29.630 -20.196  -4.364
  364   2HG   GLN  63           HG1      GLN  63 -30.516 -19.062  -3.343
  365   1HE2  GLN  63          HE22      GLN  63 -27.702 -21.328  -1.653
  366   2HE2  GLN  63          HE21      GLN  63 -27.843 -21.085  -3.328
  367    H    LEU  64           HN       LEU  64 -34.197 -21.325  -1.683
  368    HA   LEU  64           HA       LEU  64 -33.642 -19.403   0.517
  369   1HB   LEU  64           HB2      LEU  64 -35.914 -20.987  -0.281
  370   2HB   LEU  64           HB1      LEU  64 -35.449 -21.408   1.368
  371    HG   LEU  64           HG       LEU  64 -35.385 -18.519   0.821
  372   1HD1  LEU  64          HD11      LEU  64 -38.013 -20.034   0.767
  373   2HD1  LEU  64          HD13      LEU  64 -37.853 -18.282   0.891
  374   3HD1  LEU  64          HD12      LEU  64 -37.321 -19.115  -0.570
  375   1HD2  LEU  64          HD23      LEU  64 -35.215 -19.837   3.046
  376   2HD2  LEU  64          HD22      LEU  64 -36.249 -18.409   3.023
  377   3HD2  LEU  64          HD21      LEU  64 -36.964 -20.018   2.913
  378    H    ALA  65           HN       ALA  65 -31.559 -21.256  -0.273
  379    HA   ALA  65           HA       ALA  65 -31.553 -23.104   2.075
  380   1HB   ALA  65           HB3      ALA  65 -31.094 -23.680  -0.593
  381   2HB   ALA  65           HB2      ALA  65 -29.464 -23.523   0.060
  382   3HB   ALA  65           HB1      ALA  65 -30.589 -24.682   0.767
  383    H    HIS  66           HN       HIS  66 -30.870 -20.264   2.219
  384    HA   HIS  66           HA       HIS  66 -29.234 -19.023   3.376
  385   1HB   HIS  66           HB2      HIS  66 -28.732 -21.597   4.182
  386   2HB   HIS  66           HB1      HIS  66 -27.201 -21.161   3.421
  387    HD1  HIS  66           HD1      HIS  66 -25.646 -20.305   5.162
  388    HD2  HIS  66           HD2      HIS  66 -29.555 -19.030   5.850
  389    HE1  HIS  66           HE1      HIS  66 -25.562 -18.807   7.204
  390    H    HIS  67           HN       HIS  67 -26.334 -19.493   2.986
  391    HA   HIS  67           HA       HIS  67 -26.019 -19.191   0.052
  392   1HB   HIS  67           HB2      HIS  67 -24.836 -17.074   0.270
  393   2HB   HIS  67           HB1      HIS  67 -26.430 -16.908   1.006
  394    HD1  HIS  67           HD1      HIS  67 -24.551 -14.937   2.098
  395    HD2  HIS  67           HD2      HIS  67 -24.656 -18.823   3.606
  396    HE1  HIS  67           HE1      HIS  67 -23.532 -14.834   4.415
  397    H    PHE  68           HN       PHE  68 -23.289 -18.087   0.504
  398    HA   PHE  68           HA       PHE  68 -22.023 -20.552   1.636
  399   1HB   PHE  68           HB2      PHE  68 -20.139 -20.015  -0.006
  400   2HB   PHE  68           HB1      PHE  68 -21.642 -20.599  -0.721
  401    HD1  PHE  68           HD1      PHE  68 -23.167 -19.063  -1.897
  402    HD2  PHE  68           HD2      PHE  68 -19.426 -17.709  -0.277
  403    HE1  PHE  68           HE1      PHE  68 -23.337 -16.985  -3.241
  404    HE2  PHE  68           HE2      PHE  68 -19.596 -15.632  -1.621
  405    HZ   PHE  68           HZ       PHE  68 -21.551 -15.270  -3.103
  406    H    SER  69           HN       SER  69 -19.617 -20.045   2.223
  407    HA   SER  69           HA       SER  69 -19.583 -18.080   4.277
  408   1HB   SER  69           HB2      SER  69 -17.212 -19.273   2.812
  409   2HB   SER  69           HB1      SER  69 -17.170 -18.494   4.391
  410    HG   SER  69           HG       SER  69 -18.879 -20.169   4.887
  411    H    GLU  70           HN       GLU  70 -17.239 -16.608   3.953
  412    HA   GLU  70           HA       GLU  70 -17.370 -15.127   1.424
  413   1HB   GLU  70           HB2      GLU  70 -18.232 -13.857   4.039
  414   2HB   GLU  70           HB1      GLU  70 -17.895 -12.960   2.557
  415   1HG   GLU  70           HG2      GLU  70 -19.626 -14.422   1.408
  416   2HG   GLU  70           HG1      GLU  70 -20.067 -15.020   3.008
  417    HA   PRO  71           HA       PRO  71 -13.162 -15.244   3.138
  418   1HB   PRO  71           HB2      PRO  71 -12.226 -14.469   0.539
  419   2HB   PRO  71           HB1      PRO  71 -12.116 -16.063   1.297
  420   1HG   PRO  71           HG2      PRO  71 -13.834 -15.252  -0.882
  421   2HG   PRO  71           HG1      PRO  71 -13.693 -16.854  -0.145
  422   1HD   PRO  71           HD2      PRO  71 -15.863 -14.978   0.121
  423   2HD   PRO  71           HD1      PRO  71 -15.709 -16.577   0.877
  424    H    GLU  72           HN       GLU  72 -14.496 -13.078   3.950
  425    HA   GLU  72           HA       GLU  72 -13.837 -10.612   2.606
  426   1HB   GLU  72           HB2      GLU  72 -14.903 -11.360   5.306
  427   2HB   GLU  72           HB1      GLU  72 -14.306  -9.719   5.055
  428   1HG   GLU  72           HG2      GLU  72 -15.780  -9.701   2.940
  429   2HG   GLU  72           HG1      GLU  72 -16.558 -11.128   3.623
  430    H    ILE  73           HN       ILE  73 -12.665 -11.674   5.826
  431    HA   ILE  73           HA       ILE  73 -10.474  -9.939   5.953
  432    HB   ILE  73           HB       ILE  73 -11.003 -11.069   7.938
  433   1HG1  ILE  73          HG12      ILE  73  -8.490 -11.042   7.233
  434   2HG1  ILE  73          HG11      ILE  73  -8.970 -12.000   8.630
  435   1HG2  ILE  73          HG22      ILE  73 -11.323 -13.377   6.116
  436   2HG2  ILE  73          HG21      ILE  73 -10.706 -13.768   7.722
  437   3HG2  ILE  73          HG23      ILE  73 -12.250 -12.932   7.549
  438   1HD1  ILE  73          HD11      ILE  73  -9.202 -13.492   6.125
  439   2HD1  ILE  73          HD13      ILE  73  -7.555 -12.940   6.430
  440   3HD1  ILE  73          HD12      ILE  73  -8.384 -13.940   7.621
  441    H    THR  74           HN       THR  74 -10.782 -13.056   4.322
  442    HA   THR  74           HA       THR  74  -8.008 -13.453   3.753
  443    HB   THR  74           HB       THR  74  -9.393 -14.504   1.573
  444    HG1  THR  74           HG1      THR  74 -10.961 -14.924   3.874
  445   1HG2  THR  74          HG23      THR  74  -7.778 -15.421   3.531
  446   2HG2  THR  74          HG22      THR  74  -9.311 -16.109   4.070
  447   3HG2  THR  74          HG21      THR  74  -8.689 -16.490   2.463
  448    H    LEU  75           HN       LEU  75 -10.592 -11.867   1.856
  449    HA   LEU  75           HA       LEU  75  -8.791 -11.083  -0.275
  450   1HB   LEU  75           HB2      LEU  75 -11.372 -11.294  -0.344
  451   2HB   LEU  75           HB1      LEU  75 -11.385  -9.695   0.398
  452    HG   LEU  75           HG       LEU  75  -9.991 -10.397  -2.205
  453   1HD1  LEU  75          HD11      LEU  75 -12.707 -10.011  -1.748
  454   2HD1  LEU  75          HD13      LEU  75 -12.144  -8.416  -2.253
  455   3HD1  LEU  75          HD12      LEU  75 -11.885  -9.816  -3.297
  456   1HD2  LEU  75          HD22      LEU  75 -10.179  -7.927  -0.510
  457   2HD2  LEU  75          HD21      LEU  75  -8.792  -8.570  -1.386
  458   3HD2  LEU  75          HD23      LEU  75 -10.087  -7.761  -2.263
  459    H    ILE  76           HN       ILE  76 -10.228  -9.331   2.496
  460    HA   ILE  76           HA       ILE  76  -9.025  -6.822   1.964
  461    HB   ILE  76           HB       ILE  76  -9.664  -8.131   4.628
  462   1HG1  ILE  76          HG12      ILE  76 -11.226  -6.023   3.126
  463   2HG1  ILE  76          HG11      ILE  76 -11.510  -7.746   2.882
  464   1HG2  ILE  76          HG23      ILE  76  -8.012  -6.149   4.611
  465   2HG2  ILE  76          HG22      ILE  76  -9.385  -5.175   4.081
  466   3HG2  ILE  76          HG21      ILE  76  -9.438  -6.000   5.639
  467   1HD1  ILE  76          HD13      ILE  76 -11.386  -7.081   5.713
  468   2HD1  ILE  76          HD12      ILE  76 -12.636  -6.152   4.885
  469   3HD1  ILE  76          HD11      ILE  76 -12.656  -7.914   4.817
  470    H    ILE  77           HN       ILE  77  -7.800  -9.561   3.914
  471    HA   ILE  77           HA       ILE  77  -5.325  -8.370   4.653
  472    HB   ILE  77           HB       ILE  77  -6.135 -11.248   4.183
  473   1HG1  ILE  77          HG12      ILE  77  -7.045  -9.871   6.133
  474   2HG1  ILE  77          HG11      ILE  77  -6.213 -11.361   6.577
  475   1HG2  ILE  77          HG22      ILE  77  -3.459 -10.061   4.676
  476   2HG2  ILE  77          HG21      ILE  77  -3.887 -11.442   5.685
  477   3HG2  ILE  77          HG23      ILE  77  -3.888 -11.599   3.928
  478   1HD1  ILE  77          HD12      ILE  77  -4.414  -9.052   6.345
  479   2HD1  ILE  77          HD11      ILE  77  -5.639  -8.861   7.600
  480   3HD1  ILE  77          HD13      ILE  77  -4.547 -10.247   7.635
  481    H    PHE  78           HN       PHE  78  -6.174 -10.387   1.852
  482    HA   PHE  78           HA       PHE  78  -3.622 -10.367   0.614
  483   1HB   PHE  78           HB2      PHE  78  -4.752 -11.753  -0.753
  484   2HB   PHE  78           HB1      PHE  78  -6.287 -11.216  -0.088
  485    HD1  PHE  78           HD1      PHE  78  -3.628 -10.125  -2.501
  486    HD2  PHE  78           HD2      PHE  78  -7.791 -10.105  -1.460
  487    HE1  PHE  78           HE1      PHE  78  -4.154  -8.974  -4.635
  488    HE2  PHE  78           HE2      PHE  78  -8.322  -8.953  -3.593
  489    HZ   PHE  78           HZ       PHE  78  -6.502  -8.387  -5.182
  490    H    GLY  79           HN       GLY  79  -6.361  -8.099   0.213
  491   1HA   GLY  79           HA2      GLY  79  -5.174  -6.437  -1.745
  492   2HA   GLY  79           HA1      GLY  79  -6.357  -5.878  -0.561
  493    H    VAL  80           HN       VAL  80  -4.971  -6.185   1.831
  494    HA   VAL  80           HA       VAL  80  -3.337  -3.866   1.901
  495    HB   VAL  80           HB       VAL  80  -3.493  -6.254   3.753
  496   1HG1  VAL  80          HG13      VAL  80  -1.603  -4.013   3.684
  497   2HG1  VAL  80          HG12      VAL  80  -2.485  -4.119   5.207
  498   3HG1  VAL  80          HG11      VAL  80  -1.547  -5.498   4.632
  499   1HG2  VAL  80          HG21      VAL  80  -5.359  -4.354   3.291
  500   2HG2  VAL  80          HG23      VAL  80  -5.102  -5.059   4.888
  501   3HG2  VAL  80          HG22      VAL  80  -4.379  -3.502   4.485
  502    H    MET  81           HN       MET  81  -2.412  -7.311   1.764
  503    HA   MET  81           HA       MET  81   0.406  -6.928   1.675
  504   1HB   MET  81           HB2      MET  81  -1.358  -9.063   0.440
  505   2HB   MET  81           HB1      MET  81   0.404  -9.139   0.434
  506   1HG   MET  81           HG2      MET  81  -1.090  -8.696   3.009
  507   2HG   MET  81           HG1      MET  81  -0.881 -10.325   2.367
  508   1HE   MET  81           HE2      MET  81   0.654 -11.667   2.684
  509   2HE   MET  81           HE1      MET  81   1.987 -11.158   1.649
  510   3HE   MET  81           HE3      MET  81   2.269 -11.486   3.365
  511    H    ALA  82           HN       ALA  82  -1.995  -7.121  -0.939
  512    HA   ALA  82           HA       ALA  82  -0.232  -6.801  -3.121
  513   1HB   ALA  82           HB2      ALA  82  -3.119  -6.598  -2.684
  514   2HB   ALA  82           HB1      ALA  82  -2.542  -5.473  -3.918
  515   3HB   ALA  82           HB3      ALA  82  -2.232  -7.200  -4.082
  516    H    GLY  83           HN       GLY  83  -1.913  -4.264  -1.198
  517   1HA   GLY  83           HA2      GLY  83  -0.993  -2.052  -2.702
  518   2HA   GLY  83           HA1      GLY  83  -1.366  -1.994  -0.977
  519    H    VAL  84           HN       VAL  84   0.545  -3.694   0.095
  520    HA   VAL  84           HA       VAL  84   2.858  -2.045   0.212
  521    HB   VAL  84           HB       VAL  84   2.673  -5.027   0.745
  522   1HG1  VAL  84          HG12      VAL  84   4.798  -2.999   1.053
  523   2HG1  VAL  84          HG11      VAL  84   4.508  -3.983   2.487
  524   3HG1  VAL  84          HG13      VAL  84   4.923  -4.756   0.956
  525   1HG2  VAL  84          HG23      VAL  84   1.790  -2.606   2.219
  526   2HG2  VAL  84          HG22      VAL  84   1.176  -4.257   2.300
  527   3HG2  VAL  84          HG21      VAL  84   2.643  -3.816   3.175
  528    H    ILE  85           HN       ILE  85   2.299  -5.045  -1.660
  529    HA   ILE  85           HA       ILE  85   4.831  -5.182  -2.921
  530    HB   ILE  85           HB       ILE  85   2.086  -6.007  -3.903
  531   1HG1  ILE  85          HG12      ILE  85   4.412  -7.611  -2.793
  532   2HG1  ILE  85          HG11      ILE  85   2.991  -7.134  -1.864
  533   1HG2  ILE  85          HG23      ILE  85   4.841  -6.474  -5.069
  534   2HG2  ILE  85          HG22      ILE  85   3.447  -7.476  -5.476
  535   3HG2  ILE  85          HG21      ILE  85   3.440  -5.756  -5.867
  536   1HD1  ILE  85          HD11      ILE  85   1.635  -8.277  -3.763
  537   2HD1  ILE  85          HD13      ILE  85   3.163  -9.052  -4.181
  538   3HD1  ILE  85          HD12      ILE  85   2.450  -9.308  -2.588
  539    H    GLY  86           HN       GLY  86   1.855  -3.525  -4.006
  540   1HA   GLY  86           HA2      GLY  86   2.846  -2.523  -6.455
  541   2HA   GLY  86           HA1      GLY  86   1.579  -1.745  -5.504
  542    H    THR  87           HN       THR  87   2.950  -1.040  -3.201
  543    HA   THR  87           HA       THR  87   4.229   1.372  -3.947
  544    HB   THR  87           HB       THR  87   4.662  -0.205  -1.391
  545    HG1  THR  87           HG1      THR  87   2.498   0.148  -1.637
  546   1HG2  THR  87          HG22      THR  87   5.646   2.330  -2.374
  547   2HG2  THR  87          HG21      THR  87   4.644   2.575  -0.943
  548   3HG2  THR  87          HG23      THR  87   6.037   1.496  -0.870
  549    H    ILE  88           HN       ILE  88   5.686  -1.757  -2.982
  550    HA   ILE  88           HA       ILE  88   8.400  -0.955  -3.207
  551    HB   ILE  88           HB       ILE  88   7.099  -3.635  -3.776
  552   1HG1  ILE  88          HG12      ILE  88   8.618  -2.573  -1.371
  553   2HG1  ILE  88          HG11      ILE  88   6.867  -2.772  -1.460
  554   1HG2  ILE  88          HG23      ILE  88   9.942  -2.714  -3.840
  555   2HG2  ILE  88          HG22      ILE  88   9.604  -4.303  -3.153
  556   3HG2  ILE  88          HG21      ILE  88   9.140  -3.945  -4.816
  557   1HD1  ILE  88          HD13      ILE  88   8.802  -5.055  -1.917
  558   2HD1  ILE  88          HD12      ILE  88   8.120  -4.680  -0.334
  559   3HD1  ILE  88          HD11      ILE  88   7.059  -5.154  -1.661
  560    H    LEU  89           HN       LEU  89   6.214  -2.327  -5.672
  561    HA   LEU  89           HA       LEU  89   8.055  -2.330  -7.827
  562   1HB   LEU  89           HB2      LEU  89   6.242  -3.281  -8.771
  563   2HB   LEU  89           HB1      LEU  89   5.226  -2.719  -7.450
  564    HG   LEU  89           HG       LEU  89   5.040  -0.501  -8.626
  565   1HD1  LEU  89          HD11      LEU  89   7.175  -1.461 -10.109
  566   2HD1  LEU  89          HD13      LEU  89   5.815  -1.635 -11.218
  567   3HD1  LEU  89          HD12      LEU  89   6.191  -0.057 -10.526
  568   1HD2  LEU  89          HD23      LEU  89   4.135  -3.012 -10.069
  569   2HD2  LEU  89          HD22      LEU  89   3.233  -2.091  -8.866
  570   3HD2  LEU  89          HD21      LEU  89   3.540  -1.397 -10.458
  571    H    LEU  90           HN       LEU  90   5.812   0.223  -6.741
  572    HA   LEU  90           HA       LEU  90   6.434   2.149  -8.735
  573   1HB   LEU  90           HB2      LEU  90   4.719   2.167  -6.672
  574   2HB   LEU  90           HB1      LEU  90   6.019   3.103  -5.933
  575    HG   LEU  90           HG       LEU  90   4.492   4.629  -7.058
  576   1HD1  LEU  90          HD12      LEU  90   7.145   4.717  -7.305
  577   2HD1  LEU  90          HD11      LEU  90   6.755   4.484  -9.008
  578   3HD1  LEU  90          HD13      LEU  90   6.112   5.878  -8.139
  579   1HD2  LEU  90          HD21      LEU  90   4.106   2.542  -8.822
  580   2HD2  LEU  90          HD23      LEU  90   3.536   4.192  -9.072
  581   3HD2  LEU  90          HD22      LEU  90   5.064   3.670  -9.781
  582    H    ILE  91           HN       ILE  91   7.980   1.600  -5.557
  583    HA   ILE  91           HA       ILE  91   9.901   3.681  -5.729
  584    HB   ILE  91           HB       ILE  91  10.253   0.930  -4.488
  585   1HG1  ILE  91          HG12      ILE  91   9.323   3.507  -3.188
  586   2HG1  ILE  91          HG11      ILE  91   8.221   2.245  -3.738
  587   1HG2  ILE  91          HG22      ILE  91  11.812   3.475  -4.441
  588   2HG2  ILE  91          HG21      ILE  91  11.681   2.575  -2.930
  589   3HG2  ILE  91          HG23      ILE  91  12.380   1.808  -4.356
  590   1HD1  ILE  91          HD11      ILE  91  10.509   1.547  -1.915
  591   2HD1  ILE  91          HD13      ILE  91   9.025   2.228  -1.247
  592   3HD1  ILE  91          HD12      ILE  91   8.973   0.708  -2.140
  593    H    SER  92           HN       SER  92  10.115   0.290  -6.860
  594    HA   SER  92           HA       SER  92  12.756   0.450  -7.880
  595   1HB   SER  92           HB2      SER  92  10.337  -1.178  -8.616
  596   2HB   SER  92           HB1      SER  92  11.780  -1.261  -9.623
  597    HG   SER  92           HG       SER  92  12.062  -1.457  -6.847
  598    H    TYR  93           HN       TYR  93   9.638   1.174  -9.488
  599    HA   TYR  93           HA       TYR  93  10.712   1.955 -11.998
  600   1HB   TYR  93           HB2      TYR  93   8.189   1.874 -10.883
  601   2HB   TYR  93           HB1      TYR  93   8.464   3.608 -11.066
  602    HD1  TYR  93           HD1      TYR  93   8.524   0.361 -12.899
  603    HD2  TYR  93           HD2      TYR  93   8.404   4.644 -13.201
  604    HE1  TYR  93           HE1      TYR  93   8.084   0.178 -15.333
  605    HE2  TYR  93           HE2      TYR  93   7.965   4.460 -15.634
  606    HH   TYR  93           HH       TYR  93   6.885   1.806 -17.109
  607    H    GLY  94           HN       GLY  94  10.058   3.936  -9.083
  608   1HA   GLY  94           HA2      GLY  94  10.953   6.406 -10.143
  609   2HA   GLY  94           HA1      GLY  94  10.997   5.983  -8.431
  610    H    ILE  95           HN       ILE  95  12.778   3.880  -8.387
  611    HA   ILE  95           HA       ILE  95  15.292   5.187  -8.397
  612    HB   ILE  95           HB       ILE  95  14.511   2.272  -8.396
  613   1HG1  ILE  95          HG12      ILE  95  16.018   2.954  -6.145
  614   2HG1  ILE  95          HG11      ILE  95  15.023   4.380  -6.442
  615   1HG2  ILE  95          HG22      ILE  95  17.169   3.477  -8.880
  616   2HG2  ILE  95          HG21      ILE  95  17.125   2.266  -7.598
  617   3HG2  ILE  95          HG23      ILE  95  16.592   1.846  -9.226
  618   1HD1  ILE  95          HD12      ILE  95  13.505   1.914  -6.776
  619   2HD1  ILE  95          HD11      ILE  95  14.203   2.041  -5.162
  620   3HD1  ILE  95          HD13      ILE  95  13.149   3.317  -5.770
  621    H    ARG  96           HN       ARG  96  13.970   2.931 -10.869
  622    HA   ARG  96           HA       ARG  96  16.242   3.004 -12.568
  623   1HB   ARG  96           HB2      ARG  96  14.576   2.510 -14.441
  624   2HB   ARG  96           HB1      ARG  96  14.597   1.372 -13.096
  625   1HG   ARG  96           HG2      ARG  96  12.654   2.504 -12.098
  626   2HG   ARG  96           HG1      ARG  96  12.638   3.659 -13.432
  627   1HD   ARG  96           HD2      ARG  96  10.995   1.895 -13.852
  628   2HD   ARG  96           HD1      ARG  96  12.308   1.774 -15.023
  629    HE   ARG  96           HE       ARG  96  13.092   0.089 -12.965
  630   1HH1  ARG  96          HH21      ARG  96  10.196  -0.347 -12.423
  631   2HH1  ARG  96          HH22      ARG  96   9.812  -1.659 -13.488
  632   1HH2  ARG  96          HH11      ARG  96  12.648  -1.254 -15.441
  633   2HH2  ARG  96          HH12      ARG  96  11.200  -2.172 -15.196
  634    H    ARG  97           HN       ARG  97  13.366   5.112 -12.536
  635    HA   ARG  97           HA       ARG  97  14.092   6.749 -14.727
  636   1HB   ARG  97           HB2      ARG  97  11.889   6.944 -13.735
  637   2HB   ARG  97           HB1      ARG  97  12.582   7.446 -12.192
  638   1HG   ARG  97           HG2      ARG  97  13.600   9.424 -13.407
  639   2HG   ARG  97           HG1      ARG  97  12.629   8.970 -14.808
  640   1HD   ARG  97           HD2      ARG  97  11.195  10.474 -13.776
  641   2HD   ARG  97           HD1      ARG  97  10.661   8.964 -13.036
  642    HE   ARG  97           HE       ARG  97  12.653   9.873 -11.333
  643   1HH1  ARG  97          HH11      ARG  97  11.382  12.469 -12.624
  644   2HH1  ARG  97          HH12      ARG  97  10.338  12.936 -11.323
  645   1HH2  ARG  97          HH21      ARG  97  10.602   9.900  -9.670
  646   2HH2  ARG  97          HH22      ARG  97   9.897  11.482  -9.650
  647    H    LEU  98           HN       LEU  98  14.898   7.143 -11.262
  648    HA   LEU  98           HA       LEU  98  16.339   9.568 -11.502
  649   1HB   LEU  98           HB2      LEU  98  16.064   7.447  -9.535
  650   2HB   LEU  98           HB1      LEU  98  17.726   8.034  -9.598
  651    HG   LEU  98           HG       LEU  98  15.518  10.052  -9.602
  652   1HD1  LEU  98          HD11      LEU  98  15.390   8.111  -7.714
  653   2HD1  LEU  98          HD13      LEU  98  16.543   9.203  -6.947
  654   3HD1  LEU  98          HD12      LEU  98  14.943   9.788  -7.400
  655   1HD2  LEU  98          HD23      LEU  98  18.366   9.984  -9.344
  656   2HD2  LEU  98          HD22      LEU  98  17.309  11.395  -9.341
  657   3HD2  LEU  98          HD21      LEU  98  17.699  10.583  -7.825
  658    H    ILE  99           HN       ILE  99  17.505   6.202 -11.787
  659    HA   ILE  99           HA       ILE  99  20.211   7.000 -12.463
  660    HB   ILE  99           HB       ILE  99  20.468   4.614 -13.119
  661   1HG1  ILE  99          HG12      ILE  99  17.529   4.385 -12.416
  662   2HG1  ILE  99          HG11      ILE  99  18.124   4.471 -14.073
  663   1HG2  ILE  99          HG21      ILE  99  19.535   5.607 -10.540
  664   2HG2  ILE  99          HG23      ILE  99  19.151   3.900 -10.761
  665   3HG2  ILE  99          HG22      ILE  99  20.820   4.452 -10.892
  666   1HD1  ILE  99          HD13      ILE  99  19.703   2.515 -12.783
  667   2HD1  ILE  99          HD12      ILE  99  18.037   2.190 -12.303
  668   3HD1  ILE  99          HD11      ILE  99  18.467   2.248 -14.013
  669    H    LYS 100           HN       LYS 100  17.245   6.504 -14.233
  670    HA   LYS 100           HA       LYS 100  18.725   6.835 -16.807
  671   1HB   LYS 100           HB2      LYS 100  17.071   4.851 -16.316
  672   2HB   LYS 100           HB1      LYS 100  15.826   6.061 -16.628
  673   1HG   LYS 100           HG2      LYS 100  18.098   5.823 -18.564
  674   2HG   LYS 100           HG1      LYS 100  16.822   4.606 -18.610
  675   1HD   LYS 100           HD2      LYS 100  15.130   6.419 -18.795
  676   2HD   LYS 100           HD1      LYS 100  16.435   7.606 -18.829
  677   1HE   LYS 100           HE2      LYS 100  16.669   5.371 -20.766
  678   2HE   LYS 100           HE1      LYS 100  15.367   6.521 -21.070
  679   1HZ   LYS 100           HZ3      LYS 100  17.370   8.171 -20.484
  680   2HZ   LYS 100           HZ2      LYS 100  18.240   6.896 -21.194
  681   3HZ   LYS 100           HZ1      LYS 100  17.003   7.670 -22.063
  682    H    LYS 101           HN       LYS 101  18.857   9.051 -17.083
  683    HA   LYS 101           HA       LYS 101  18.047  11.178 -17.691
  684   1HB   LYS 101           HB2      LYS 101  16.065   9.550 -18.544
  685   2HB   LYS 101           HB1      LYS 101  15.197  10.430 -17.285
  686   1HG   LYS 101           HG2      LYS 101  14.951  11.632 -19.385
  687   2HG   LYS 101           HG1      LYS 101  15.984  12.574 -18.309
  688   1HD   LYS 101           HD2      LYS 101  17.658  10.771 -19.752
  689   2HD   LYS 101           HD1      LYS 101  16.600  11.568 -20.916
  690   1HE   LYS 101           HE2      LYS 101  17.961  13.189 -18.782
  691   2HE   LYS 101           HE1      LYS 101  18.847  12.731 -20.236
  692   1HZ   LYS 101           HZ1      LYS 101  16.201  14.068 -20.282
  693   2HZ   LYS 101           HZ3      LYS 101  17.673  14.908 -20.367
  694   3HZ   LYS 101           HZ2      LYS 101  17.251  13.808 -21.592
   
  No H/Q in entry =         694
  Start of MODEL   11
    1   1H    VAL  62           HT2      VAL  62 -21.556 -18.362  15.753
    2   2H    VAL  62           HT1      VAL  62 -22.589 -18.941  14.535
    3   3H    VAL  62           HT3      VAL  62 -20.911 -19.140  14.388
    4    HA   VAL  62           HA       VAL  62 -21.498 -17.366  12.962
    5    HB   VAL  62           HB       VAL  62 -22.751 -15.421  13.813
    6   1HG1  VAL  62          HG12      VAL  62 -23.781 -17.828  13.088
    7   2HG1  VAL  62          HG11      VAL  62 -24.500 -17.650  14.688
    8   3HG1  VAL  62          HG13      VAL  62 -24.776 -16.420  13.455
    9   1HG2  VAL  62          HG21      VAL  62 -21.917 -16.039  16.252
   10   2HG2  VAL  62          HG23      VAL  62 -23.458 -15.212  16.021
   11   3HG2  VAL  62          HG22      VAL  62 -23.424 -16.952  16.304
   12    H    GLN  63           HN       GLN  63 -19.470 -18.141  15.099
   13    HA   GLN  63           HA       GLN  63 -17.632 -17.188  16.232
   14   1HB   GLN  63           HB2      GLN  63 -16.351 -15.639  14.688
   15   2HB   GLN  63           HB1      GLN  63 -16.775 -17.207  13.999
   16   1HG   GLN  63           HG2      GLN  63 -18.657 -16.239  12.809
   17   2HG   GLN  63           HG1      GLN  63 -18.404 -14.682  13.598
   18   1HE2  GLN  63          HE22      GLN  63 -15.682 -13.748  11.507
   19   2HE2  GLN  63          HE21      GLN  63 -16.503 -13.412  12.954
   20    H    LEU  64           HN       LEU  64 -18.410 -16.059  18.018
   21    HA   LEU  64           HA       LEU  64 -19.703 -13.488  17.854
   22   1HB   LEU  64           HB2      LEU  64 -18.467 -15.132  20.033
   23   2HB   LEU  64           HB1      LEU  64 -18.794 -13.428  20.350
   24    HG   LEU  64           HG       LEU  64 -21.014 -14.812  19.015
   25   1HD1  LEU  64          HD11      LEU  64 -19.805 -15.891  21.513
   26   2HD1  LEU  64          HD13      LEU  64 -21.560 -15.727  21.488
   27   3HD1  LEU  64          HD12      LEU  64 -20.749 -16.717  20.273
   28   1HD2  LEU  64          HD22      LEU  64 -20.513 -12.844  21.198
   29   2HD2  LEU  64          HD21      LEU  64 -21.657 -12.767  19.858
   30   3HD2  LEU  64          HD23      LEU  64 -22.023 -13.753  21.273
   31    H    ALA  65           HN       ALA  65 -16.506 -14.428  17.312
   32    HA   ALA  65           HA       ALA  65 -15.247 -11.986  18.330
   33   1HB   ALA  65           HB1      ALA  65 -14.336 -14.526  17.642
   34   2HB   ALA  65           HB3      ALA  65 -13.712 -13.495  16.355
   35   3HB   ALA  65           HB2      ALA  65 -13.324 -13.137  18.038
   36    H    HIS  66           HN       HIS  66 -16.360 -10.309  17.175
   37    HA   HIS  66           HA       HIS  66 -16.487  -8.758  15.413
   38   1HB   HIS  66           HB2      HIS  66 -14.650 -10.569  13.839
   39   2HB   HIS  66           HB1      HIS  66 -14.863  -8.827  13.675
   40    HD1  HIS  66           HD1      HIS  66 -12.037  -9.668  14.128
   41    HD2  HIS  66           HD2      HIS  66 -14.650  -9.005  17.307
   42    HE1  HIS  66           HE1      HIS  66 -10.593  -9.206  16.157
   43    H    HIS  67           HN       HIS  67 -18.354  -8.711  14.282
   44    HA   HIS  67           HA       HIS  67 -19.522 -11.165  13.213
   45   1HB   HIS  67           HB2      HIS  67 -21.399  -9.715  12.571
   46   2HB   HIS  67           HB1      HIS  67 -20.909  -9.368  14.230
   47    HD1  HIS  67           HD1      HIS  67 -22.343  -7.143  12.770
   48    HD2  HIS  67           HD2      HIS  67 -18.204  -7.609  12.611
   49    HE1  HIS  67           HE1      HIS  67 -21.389  -4.879  12.149
   50    H    PHE  68           HN       PHE  68 -20.734  -9.918  10.857
   51    HA   PHE  68           HA       PHE  68 -18.449 -10.273   9.017
   52   1HB   PHE  68           HB2      PHE  68 -21.377  -9.849   8.354
   53   2HB   PHE  68           HB1      PHE  68 -20.121 -10.451   7.272
   54    HD1  PHE  68           HD2      PHE  68 -18.666 -12.442   8.610
   55    HD2  PHE  68           HD1      PHE  68 -22.840 -11.522   9.037
   56    HE1  PHE  68           HE2      PHE  68 -19.096 -14.755   9.395
   57    HE2  PHE  68           HE1      PHE  68 -23.270 -13.835   9.821
   58    HZ   PHE  68           HZ       PHE  68 -21.397 -15.451  10.001
   59    H    SER  69           HN       SER  69 -18.032  -8.693   7.303
   60    HA   SER  69           HA       SER  69 -18.779  -5.924   8.147
   61   1HB   SER  69           HB2      SER  69 -16.370  -6.330   8.237
   62   2HB   SER  69           HB1      SER  69 -16.381  -6.919   6.577
   63    HG   SER  69           HG       SER  69 -16.459  -4.348   7.565
   64    H    GLU  70           HN       GLU  70 -20.689  -5.717   6.932
   65    HA   GLU  70           HA       GLU  70 -21.249  -6.573   4.353
   66   1HB   GLU  70           HB2      GLU  70 -22.188  -4.422   6.093
   67   2HB   GLU  70           HB1      GLU  70 -22.310  -4.004   4.383
   68   1HG   GLU  70           HG2      GLU  70 -23.190  -6.619   4.413
   69   2HG   GLU  70           HG1      GLU  70 -23.826  -5.988   5.933
   70    HA   PRO  71           HA       PRO  71 -19.216  -2.502   2.617
   71   1HB   PRO  71           HB2      PRO  71 -17.179  -1.771   4.538
   72   2HB   PRO  71           HB1      PRO  71 -18.534  -0.798   3.948
   73   1HG   PRO  71           HG2      PRO  71 -18.263  -1.980   6.540
   74   2HG   PRO  71           HG1      PRO  71 -19.666  -1.113   5.902
   75   1HD   PRO  71           HD2      PRO  71 -19.385  -3.951   6.386
   76   2HD   PRO  71           HD1      PRO  71 -20.822  -3.074   5.825
   77    H    GLU  72           HN       GLU  72 -18.547  -4.714   1.690
   78    HA   GLU  72           HA       GLU  72 -16.024  -5.893   2.359
   79   1HB   GLU  72           HB2      GLU  72 -17.596  -7.185   1.084
   80   2HB   GLU  72           HB1      GLU  72 -17.694  -5.944  -0.165
   81   1HG   GLU  72           HG2      GLU  72 -15.362  -6.330  -0.783
   82   2HG   GLU  72           HG1      GLU  72 -15.188  -7.507   0.520
   83    H    ILE  73           HN       ILE  73 -16.582  -4.455  -0.838
   84    HA   ILE  73           HA       ILE  73 -13.990  -3.822  -1.488
   85    HB   ILE  73           HB       ILE  73 -16.133  -3.444  -2.851
   86   1HG1  ILE  73          HG12      ILE  73 -14.834  -1.074  -3.588
   87   2HG1  ILE  73          HG11      ILE  73 -13.580  -2.078  -2.860
   88   1HG2  ILE  73          HG23      ILE  73 -15.977  -0.790  -1.386
   89   2HG2  ILE  73          HG22      ILE  73 -17.023  -1.132  -2.764
   90   3HG2  ILE  73          HG21      ILE  73 -17.271  -1.978  -1.237
   91   1HD1  ILE  73          HD12      ILE  73 -15.068  -3.853  -4.420
   92   2HD1  ILE  73          HD11      ILE  73 -14.935  -2.401  -5.415
   93   3HD1  ILE  73          HD13      ILE  73 -13.479  -3.197  -4.815
   94    H    THR  74           HN       THR  74 -16.067  -2.102   0.765
   95    HA   THR  74           HA       THR  74 -14.479   0.269   1.014
   96    HB   THR  74           HB       THR  74 -15.776  -0.519   3.498
   97    HG1  THR  74           HG1      THR  74 -17.333  -0.502   1.128
   98   1HG2  THR  74          HG22      THR  74 -15.380   1.762   1.864
   99   2HG2  THR  74          HG21      THR  74 -17.123   1.536   2.002
  100   3HG2  THR  74          HG23      THR  74 -16.137   1.698   3.455
  101    H    LEU  75           HN       LEU  75 -14.497  -2.767   2.912
  102    HA   LEU  75           HA       LEU  75 -12.280  -1.867   4.570
  103   1HB   LEU  75           HB2      LEU  75 -14.149  -3.765   4.945
  104   2HB   LEU  75           HB1      LEU  75 -12.855  -4.778   4.305
  105    HG   LEU  75           HG       LEU  75 -12.808  -3.018   6.761
  106   1HD1  LEU  75          HD11      LEU  75 -13.185  -5.792   6.261
  107   2HD1  LEU  75          HD13      LEU  75 -11.602  -5.613   7.017
  108   3HD1  LEU  75          HD12      LEU  75 -13.039  -4.986   7.824
  109   1HD2  LEU  75          HD23      LEU  75 -10.509  -4.171   5.167
  110   2HD2  LEU  75          HD22      LEU  75 -10.734  -2.504   5.695
  111   3HD2  LEU  75          HD21      LEU  75 -10.354  -3.758   6.874
  112    H    ILE  76           HN       ILE  76 -12.537  -4.230   1.863
  113    HA   ILE  76           HA       ILE  76  -9.798  -4.969   1.874
  114    HB   ILE  76           HB       ILE  76 -11.640  -4.681  -0.521
  115   1HG1  ILE  76          HG12      ILE  76 -10.999  -7.185   1.049
  116   2HG1  ILE  76          HG11      ILE  76 -12.380  -6.160   1.446
  117   1HG2  ILE  76          HG22      ILE  76  -9.167  -4.884  -1.002
  118   2HG2  ILE  76          HG21      ILE  76  -9.198  -6.439  -0.169
  119   3HG2  ILE  76          HG23      ILE  76 -10.144  -6.207  -1.640
  120   1HD1  ILE  76          HD12      ILE  76 -12.161  -6.782  -1.417
  121   2HD1  ILE  76          HD11      ILE  76 -12.420  -8.201  -0.403
  122   3HD1  ILE  76          HD13      ILE  76 -13.564  -6.861  -0.354
  123    H    ILE  77           HN       ILE  77 -11.415  -2.328   0.059
  124    HA   ILE  77           HA       ILE  77  -9.059  -1.316  -1.175
  125    HB   ILE  77           HB       ILE  77 -11.447  -0.624  -1.683
  126   1HG1  ILE  77          HG12      ILE  77  -9.634   1.731  -1.114
  127   2HG1  ILE  77          HG11      ILE  77  -9.314   0.589  -2.420
  128   1HG2  ILE  77          HG22      ILE  77 -12.097  -0.218   0.676
  129   2HG2  ILE  77          HG21      ILE  77 -11.007   1.165   0.721
  130   3HG2  ILE  77          HG23      ILE  77 -12.408   1.180  -0.349
  131   1HD1  ILE  77          HD13      ILE  77 -11.773   1.050  -3.129
  132   2HD1  ILE  77          HD12      ILE  77 -11.640   2.478  -2.102
  133   3HD1  ILE  77          HD11      ILE  77 -10.560   2.282  -3.482
  134    H    PHE  78           HN       PHE  78 -10.597  -0.457   1.923
  135    HA   PHE  78           HA       PHE  78  -8.732   1.521   2.733
  136   1HB   PHE  78           HB2      PHE  78 -10.480  -0.399   4.267
  137   2HB   PHE  78           HB1      PHE  78  -9.384   0.694   5.107
  138    HD1  PHE  78           HD1      PHE  78 -10.305   2.232   2.072
  139    HD2  PHE  78           HD2      PHE  78 -11.827   1.351   5.993
  140    HE1  PHE  78           HE1      PHE  78 -11.955   4.068   1.845
  141    HE2  PHE  78           HE2      PHE  78 -13.476   3.188   5.763
  142    HZ   PHE  78           HZ       PHE  78 -13.541   4.545   3.690
  143    H    GLY  79           HN       GLY  79  -8.687  -2.007   3.333
  144   1HA   GLY  79           HA2      GLY  79  -6.309  -2.073   4.867
  145   2HA   GLY  79           HA1      GLY  79  -6.876  -3.408   3.865
  146    H    VAL  80           HN       VAL  80  -6.697  -2.336   1.313
  147    HA   VAL  80           HA       VAL  80  -3.946  -2.640   0.691
  148    HB   VAL  80           HB       VAL  80  -6.057  -1.156  -0.903
  149   1HG1  VAL  80          HG13      VAL  80  -3.417  -1.137  -1.407
  150   2HG1  VAL  80          HG12      VAL  80  -3.822  -2.683  -2.150
  151   3HG1  VAL  80          HG11      VAL  80  -4.617  -1.206  -2.697
  152   1HG2  VAL  80          HG22      VAL  80  -6.134  -3.787  -0.073
  153   2HG2  VAL  80          HG21      VAL  80  -6.920  -3.172  -1.526
  154   3HG2  VAL  80          HG23      VAL  80  -5.326  -3.920  -1.634
  155    H    MET  81           HN       MET  81  -5.892   0.335   1.001
  156    HA   MET  81           HA       MET  81  -3.813   2.191   0.466
  157   1HB   MET  81           HB2      MET  81  -6.270   2.368   2.224
  158   2HB   MET  81           HB1      MET  81  -5.198   3.741   1.949
  159   1HG   MET  81           HG2      MET  81  -5.577   2.900  -0.609
  160   2HG   MET  81           HG1      MET  81  -7.126   2.453   0.106
  161   1HE   MET  81           HE1      MET  81  -6.978   4.422  -2.205
  162   2HE   MET  81           HE3      MET  81  -8.484   4.047  -1.354
  163   3HE   MET  81           HE2      MET  81  -8.047   5.722  -1.682
  164    H    ALA  82           HN       ALA  82  -4.880   0.774   3.556
  165    HA   ALA  82           HA       ALA  82  -3.041   2.115   5.229
  166   1HB   ALA  82           HB3      ALA  82  -4.794  -0.215   5.453
  167   2HB   ALA  82           HB2      ALA  82  -3.307  -0.405   6.386
  168   3HB   ALA  82           HB1      ALA  82  -4.354   0.983   6.668
  169    H    GLY  83           HN       GLY  83  -2.626  -1.016   3.496
  170   1HA   GLY  83           HA2      GLY  83  -0.047  -1.602   4.503
  171   2HA   GLY  83           HA1      GLY  83  -0.639  -2.119   2.923
  172    H    VAL  84           HN       VAL  84  -0.976   0.292   1.605
  173    HA   VAL  84           HA       VAL  84   1.654   0.912   0.742
  174    HB   VAL  84           HB       VAL  84  -0.865   2.592   0.578
  175   1HG1  VAL  84          HG11      VAL  84   1.690   3.480   0.144
  176   2HG1  VAL  84          HG13      VAL  84   1.257   2.878  -1.457
  177   3HG1  VAL  84          HG12      VAL  84   0.268   4.115  -0.683
  178   1HG2  VAL  84          HG23      VAL  84  -0.180   0.138  -0.616
  179   2HG2  VAL  84          HG22      VAL  84  -1.488   1.217  -1.101
  180   3HG2  VAL  84          HG21      VAL  84   0.095   1.351  -1.866
  181    H    ILE  85           HN       ILE  85  -0.461   2.714   3.002
  182    HA   ILE  85           HA       ILE  85   1.321   4.843   3.551
  183    HB   ILE  85           HB       ILE  85  -0.618   3.512   5.467
  184   1HG1  ILE  85          HG12      ILE  85  -1.056   5.915   3.671
  185   2HG1  ILE  85          HG11      ILE  85  -1.551   4.280   3.230
  186   1HG2  ILE  85          HG22      ILE  85   1.265   5.356   6.101
  187   2HG2  ILE  85          HG21      ILE  85  -0.031   6.421   5.556
  188   3HG2  ILE  85          HG23      ILE  85  -0.317   5.289   6.878
  189   1HD1  ILE  85          HD13      ILE  85  -2.413   5.653   5.789
  190   2HD1  ILE  85          HD12      ILE  85  -3.371   5.662   4.309
  191   3HD1  ILE  85          HD11      ILE  85  -3.031   4.139   5.131
  192    H    GLY  86           HN       GLY  86   1.006   1.689   5.220
  193   1HA   GLY  86           HA2      GLY  86   2.985   2.121   7.190
  194   2HA   GLY  86           HA1      GLY  86   2.556   0.536   6.546
  195    H    THR  87           HN       THR  87   3.355   0.750   3.898
  196    HA   THR  87           HA       THR  87   6.142   0.256   4.048
  197    HB   THR  87           HB       THR  87   4.382   1.040   1.712
  198    HG1  THR  87           HG1      THR  87   4.276  -1.053   2.920
  199   1HG2  THR  87          HG22      THR  87   7.313   0.309   1.811
  200   2HG2  THR  87          HG21      THR  87   6.343   0.112   0.351
  201   3HG2  THR  87          HG23      THR  87   6.571   1.716   1.050
  202    H    ILE  88           HN       ILE  88   4.417   3.206   2.987
  203    HA   ILE  88           HA       ILE  88   6.712   4.762   2.382
  204    HB   ILE  88           HB       ILE  88   4.002   5.577   3.465
  205   1HG1  ILE  88          HG12      ILE  88   5.208   5.785   0.688
  206   2HG1  ILE  88          HG11      ILE  88   4.122   4.493   1.201
  207   1HG2  ILE  88          HG21      ILE  88   6.417   7.109   3.270
  208   2HG2  ILE  88          HG23      ILE  88   5.288   7.686   2.045
  209   3HG2  ILE  88          HG22      ILE  88   4.809   7.659   3.742
  210   1HD1  ILE  88          HD13      ILE  88   3.345   7.391   1.508
  211   2HD1  ILE  88          HD12      ILE  88   3.078   6.531  -0.009
  212   3HD1  ILE  88          HD11      ILE  88   2.300   5.971   1.471
  213    H    LEU  89           HN       LEU  89   4.939   4.411   5.456
  214    HA   LEU  89           HA       LEU  89   6.531   6.168   7.001
  215   1HB   LEU  89           HB2      LEU  89   4.968   5.555   8.505
  216   2HB   LEU  89           HB1      LEU  89   4.458   4.238   7.459
  217    HG   LEU  89           HG       LEU  89   6.331   2.848   8.432
  218   1HD1  LEU  89          HD11      LEU  89   6.812   5.422   9.772
  219   2HD1  LEU  89          HD13      LEU  89   6.789   4.046  10.873
  220   3HD1  LEU  89          HD12      LEU  89   7.911   4.069   9.512
  221   1HD2  LEU  89          HD21      LEU  89   3.934   2.784   9.230
  222   2HD2  LEU  89          HD23      LEU  89   5.114   2.314  10.455
  223   3HD2  LEU  89          HD22      LEU  89   4.388   3.921  10.499
  224    H    LEU  90           HN       LEU  90   6.933   2.669   6.402
  225    HA   LEU  90           HA       LEU  90   9.241   2.280   8.004
  226   1HB   LEU  90           HB2      LEU  90   8.478   0.966   5.377
  227   2HB   LEU  90           HB1      LEU  90   9.735   0.375   6.465
  228    HG   LEU  90           HG       LEU  90   6.934   0.868   7.466
  229   1HD1  LEU  90          HD11      LEU  90   8.002  -1.483   5.913
  230   2HD1  LEU  90          HD13      LEU  90   6.748  -1.713   7.133
  231   3HD1  LEU  90          HD12      LEU  90   6.450  -0.661   5.748
  232   1HD2  LEU  90          HD21      LEU  90   9.117   0.397   8.874
  233   2HD2  LEU  90          HD23      LEU  90   7.605  -0.408   9.298
  234   3HD2  LEU  90          HD22      LEU  90   8.835  -1.271   8.374
  235    H    ILE  91           HN       ILE  91   9.030   3.237   4.553
  236    HA   ILE  91           HA       ILE  91  11.828   3.411   4.086
  237    HB   ILE  91           HB       ILE  91   9.586   5.102   2.931
  238   1HG1  ILE  91          HG12      ILE  91  11.007   2.705   1.740
  239   2HG1  ILE  91          HG11      ILE  91   9.491   2.575   2.634
  240   1HG2  ILE  91          HG23      ILE  91  12.516   4.844   2.306
  241   2HG2  ILE  91          HG22      ILE  91  11.373   5.190   1.008
  242   3HG2  ILE  91          HG21      ILE  91  11.517   6.296   2.373
  243   1HD1  ILE  91          HD11      ILE  91   9.119   4.679   0.790
  244   2HD1  ILE  91          HD13      ILE  91   9.912   3.385  -0.108
  245   3HD1  ILE  91          HD12      ILE  91   8.393   3.072   0.734
  246    H    SER  92           HN       SER  92   9.557   5.914   5.270
  247    HA   SER  92           HA       SER  92  11.479   7.987   5.540
  248   1HB   SER  92           HB2      SER  92   9.361   7.668   7.634
  249   2HB   SER  92           HB1      SER  92   9.866   9.117   6.768
  250    HG   SER  92           HG       SER  92   8.210   8.716   5.543
  251    H    TYR  93           HN       TYR  93  10.453   5.473   7.866
  252    HA   TYR  93           HA       TYR  93  12.202   6.200   9.982
  253   1HB   TYR  93           HB2      TYR  93  10.426   4.519  10.255
  254   2HB   TYR  93           HB1      TYR  93  11.266   3.436   9.147
  255    HD1  TYR  93           HD2      TYR  93  12.463   5.606  11.965
  256    HD2  TYR  93           HD1      TYR  93  12.154   1.640  10.345
  257    HE1  TYR  93           HE2      TYR  93  13.819   4.732  13.848
  258    HE2  TYR  93           HE1      TYR  93  13.510   0.765  12.229
  259    HH   TYR  93           HH       TYR  93  14.203   1.315  14.402
  260    H    GLY  94           HN       GLY  94  12.731   3.940   7.254
  261   1HA   GLY  94           HA2      GLY  94  15.372   3.168   7.922
  262   2HA   GLY  94           HA1      GLY  94  14.729   3.200   6.279
  263    H    ILE  95           HN       ILE  95  14.228   5.879   5.898
  264    HA   ILE  95           HA       ILE  95  16.786   6.923   5.231
  265    HB   ILE  95           HB       ILE  95  14.070   8.204   5.572
  266   1HG1  ILE  95          HG12      ILE  95  15.223   8.597   3.014
  267   2HG1  ILE  95          HG11      ILE  95  15.565   6.925   3.458
  268   1HG2  ILE  95          HG21      ILE  95  16.732   9.514   5.307
  269   2HG2  ILE  95          HG23      ILE  95  15.440  10.128   4.275
  270   3HG2  ILE  95          HG22      ILE  95  15.244  10.126   6.028
  271   1HD1  ILE  95          HD12      ILE  95  12.893   7.442   4.253
  272   2HD1  ILE  95          HD11      ILE  95  13.068   8.082   2.619
  273   3HD1  ILE  95          HD13      ILE  95  13.441   6.389   2.948
  274    H    ARG  96           HN       ARG  96  14.679   7.646   8.022
  275    HA   ARG  96           HA       ARG  96  16.356   9.551   9.284
  276   1HB   ARG  96           HB2      ARG  96  14.403   7.523  10.394
  277   2HB   ARG  96           HB1      ARG  96  15.254   8.670  11.427
  278   1HG   ARG  96           HG2      ARG  96  14.375  10.412   9.614
  279   2HG   ARG  96           HG1      ARG  96  13.139   9.175   9.379
  280   1HD   ARG  96           HD2      ARG  96  13.740  10.809  11.824
  281   2HD   ARG  96           HD1      ARG  96  12.181  10.448  11.080
  282    HE   ARG  96           HE       ARG  96  13.091   7.975  11.932
  283   1HH1  ARG  96          HH11      ARG  96  11.419  10.610  13.117
  284   2HH1  ARG  96          HH12      ARG  96  11.591  10.201  14.791
  285   1HH2  ARG  96          HH21      ARG  96  13.845   7.632  14.204
  286   2HH2  ARG  96          HH22      ARG  96  12.965   8.515  15.407
  287    H    ARG  97           HN       ARG  97  16.264   6.001   9.648
  288    HA   ARG  97           HA       ARG  97  18.319   5.775  11.576
  289   1HB   ARG  97           HB2      ARG  97  16.805   3.920  10.730
  290   2HB   ARG  97           HB1      ARG  97  17.855   3.814   9.316
  291   1HG   ARG  97           HG2      ARG  97  19.524   2.798  10.476
  292   2HG   ARG  97           HG1      ARG  97  19.291   3.824  11.890
  293   1HD   ARG  97           HD2      ARG  97  18.203   2.149  12.918
  294   2HD   ARG  97           HD1      ARG  97  16.978   2.178  11.652
  295    HE   ARG  97           HE       ARG  97  18.613   0.013  11.982
  296   1HH1  ARG  97          HH21      ARG  97  17.012   1.072   9.430
  297   2HH1  ARG  97          HH22      ARG  97  18.183   0.686   8.213
  298   1HH2  ARG  97          HH11      ARG  97  20.743   0.113  10.482
  299   2HH2  ARG  97          HH12      ARG  97  20.295   0.143   8.809
  300    H    LEU  98           HN       LEU  98  18.575   5.759   8.011
  301    HA   LEU  98           HA       LEU  98  21.377   5.381   7.852
  302   1HB   LEU  98           HB2      LEU  98  19.246   6.301   6.091
  303   2HB   LEU  98           HB1      LEU  98  20.747   7.179   5.799
  304    HG   LEU  98           HG       LEU  98  20.879   4.206   6.125
  305   1HD1  LEU  98          HD11      LEU  98  19.032   5.154   4.392
  306   2HD1  LEU  98          HD13      LEU  98  20.467   5.250   3.372
  307   3HD1  LEU  98          HD12      LEU  98  19.986   3.705   4.073
  308   1HD2  LEU  98          HD23      LEU  98  22.744   6.121   5.675
  309   2HD2  LEU  98          HD22      LEU  98  22.914   4.462   5.100
  310   3HD2  LEU  98          HD21      LEU  98  22.320   5.718   4.012
  311    H    ILE  99           HN       ILE  99  19.500   8.402   8.086
  312    HA   ILE  99           HA       ILE  99  21.855  10.090   8.199
  313    HB   ILE  99           HB       ILE  99  20.229  11.848   8.895
  314   1HG1  ILE  99          HG12      ILE  99  18.239   9.558   8.785
  315   2HG1  ILE  99          HG11      ILE  99  18.790  10.344  10.263
  316   1HG2  ILE  99          HG23      ILE  99  20.003  10.149   6.496
  317   2HG2  ILE  99          HG22      ILE  99  18.571  11.125   6.826
  318   3HG2  ILE  99          HG21      ILE  99  20.141  11.902   6.623
  319   1HD1  ILE  99          HD11      ILE  99  18.026  12.522   8.860
  320   2HD1  ILE  99          HD13      ILE  99  16.919  11.332   8.176
  321   3HD1  ILE  99          HD12      ILE  99  16.927  11.632   9.914
  322    H    LYS 100           HN       LYS 100  19.685   8.660  10.618
  323    HA   LYS 100           HA       LYS 100  21.339   9.845  12.787
  324   1HB   LYS 100           HB2      LYS 100  18.598   8.658  12.616
  325   2HB   LYS 100           HB1      LYS 100  19.454   8.531  14.151
  326   1HG   LYS 100           HG2      LYS 100  19.941  11.068  13.827
  327   2HG   LYS 100           HG1      LYS 100  18.613  11.010  12.667
  328   1HD   LYS 100           HD2      LYS 100  17.094  10.997  14.328
  329   2HD   LYS 100           HD1      LYS 100  17.874   9.603  15.080
  330   1HE   LYS 100           HE2      LYS 100  19.076  12.348  15.367
  331   2HE   LYS 100           HE1      LYS 100  17.753  11.844  16.417
  332   1HZ   LYS 100           HZ2      LYS 100  19.593   9.751  16.291
  333   2HZ   LYS 100           HZ1      LYS 100  20.469  11.174  16.598
  334   3HZ   LYS 100           HZ3      LYS 100  19.202  10.722  17.630
  335    H    LYS 101           HN       LYS 101  21.085   7.910  14.755
  336    HA   LYS 101           HA       LYS 101  21.656   5.241  13.960
  337   1HB   LYS 101           HB2      LYS 101  24.098   5.177  14.251
  338   2HB   LYS 101           HB1      LYS 101  23.666   6.266  12.932
  339   1HG   LYS 101           HG2      LYS 101  23.963   7.345  15.722
  340   2HG   LYS 101           HG1      LYS 101  25.396   7.069  14.729
  341   1HD   LYS 101           HD2      LYS 101  24.187   8.404  12.899
  342   2HD   LYS 101           HD1      LYS 101  23.062   8.902  14.161
  343   1HE   LYS 101           HE2      LYS 101  24.555  10.590  14.494
  344   2HE   LYS 101           HE1      LYS 101  25.451   9.366  15.395
  345   1HZ   LYS 101           HZ3      LYS 101  25.802   9.994  12.513
  346   2HZ   LYS 101           HZ2      LYS 101  26.853  10.462  13.764
  347   3HZ   LYS 101           HZ1      LYS 101  26.664   8.818  13.381
  348   1H    VAL  62           HT1      VAL  62 -28.945 -26.973 -13.602
  349   2H    VAL  62           HT3      VAL  62 -30.131 -26.487 -14.712
  350   3H    VAL  62           HT2      VAL  62 -28.895 -27.544 -15.202
  351    HA   VAL  62           HA       VAL  62 -27.262 -25.891 -15.122
  352    HB   VAL  62           HB       VAL  62 -28.250 -24.082 -16.540
  353   1HG1  VAL  62          HG12      VAL  62 -28.865 -26.987 -17.048
  354   2HG1  VAL  62          HG11      VAL  62 -29.315 -25.760 -18.232
  355   3HG1  VAL  62          HG13      VAL  62 -27.623 -25.974 -17.785
  356   1HG2  VAL  62          HG23      VAL  62 -30.564 -24.681 -15.099
  357   2HG2  VAL  62          HG22      VAL  62 -30.467 -23.629 -16.510
  358   3HG2  VAL  62          HG21      VAL  62 -30.887 -25.330 -16.707
  359    H    GLN  63           HN       GLN  63 -26.429 -24.026 -14.115
  360    HA   GLN  63           HA       GLN  63 -28.196 -22.247 -12.605
  361   1HB   GLN  63           HB2      GLN  63 -28.082 -23.837 -10.870
  362   2HB   GLN  63           HB1      GLN  63 -26.425 -24.286 -11.262
  363   1HG   GLN  63           HG2      GLN  63 -25.700 -21.989 -10.507
  364   2HG   GLN  63           HG1      GLN  63 -27.352 -21.707  -9.953
  365   1HE2  GLN  63          HE22      GLN  63 -25.555 -23.015  -7.004
  366   2HE2  GLN  63          HE21      GLN  63 -25.551 -21.594  -7.934
  367    H    LEU  64           HN       LEU  64 -27.172 -20.262 -12.206
  368    HA   LEU  64           HA       LEU  64 -24.249 -20.073 -12.683
  369   1HB   LEU  64           HB2      LEU  64 -25.125 -17.856 -14.037
  370   2HB   LEU  64           HB1      LEU  64 -24.626 -19.361 -14.808
  371    HG   LEU  64           HG       LEU  64 -27.455 -19.111 -13.852
  372   1HD1  LEU  64          HD12      LEU  64 -26.206 -17.649 -16.153
  373   2HD1  LEU  64          HD11      LEU  64 -27.839 -18.290 -16.336
  374   3HD1  LEU  64          HD13      LEU  64 -27.488 -17.125 -15.060
  375   1HD2  LEU  64          HD23      LEU  64 -25.850 -20.700 -15.788
  376   2HD2  LEU  64          HD22      LEU  64 -27.195 -21.203 -14.763
  377   3HD2  LEU  64          HD21      LEU  64 -27.507 -20.332 -16.264
  378    H    ALA  65           HN       ALA  65 -25.197 -19.817 -10.207
  379    HA   ALA  65           HA       ALA  65 -25.228 -16.861  -9.785
  380   1HB   ALA  65           HB2      ALA  65 -27.445 -18.186  -9.341
  381   2HB   ALA  65           HB1      ALA  65 -26.617 -18.741  -7.886
  382   3HB   ALA  65           HB3      ALA  65 -26.894 -17.017  -8.141
  383    H    HIS  66           HN       HIS  66 -22.810 -17.606  -9.705
  384    HA   HIS  66           HA       HIS  66 -22.084 -18.848  -7.121
  385   1HB   HIS  66           HB2      HIS  66 -20.084 -17.760  -9.080
  386   2HB   HIS  66           HB1      HIS  66 -19.948 -19.157  -8.014
  387    HD1  HIS  66           HD1      HIS  66 -21.506 -21.269  -8.690
  388    HD2  HIS  66           HD2      HIS  66 -20.982 -18.368 -11.639
  389    HE1  HIS  66           HE1      HIS  66 -22.194 -22.341 -10.880
  390    H    HIS  67           HN       HIS  67 -21.901 -17.538  -5.379
  391    HA   HIS  67           HA       HIS  67 -20.863 -14.766  -5.822
  392   1HB   HIS  67           HB2      HIS  67 -23.182 -15.766  -4.235
  393   2HB   HIS  67           HB1      HIS  67 -22.233 -14.456  -3.534
  394    HD1  HIS  67           HD1      HIS  67 -21.537 -12.741  -5.890
  395    HD2  HIS  67           HD2      HIS  67 -25.294 -14.504  -5.497
  396    HE1  HIS  67           HE1      HIS  67 -23.121 -11.381  -7.325
  397    H    PHE  68           HN       PHE  68 -18.736 -15.070  -5.200
  398    HA   PHE  68           HA       PHE  68 -18.130 -16.667  -2.795
  399   1HB   PHE  68           HB2      PHE  68 -16.503 -15.340  -4.946
  400   2HB   PHE  68           HB1      PHE  68 -15.732 -15.809  -3.430
  401    HD1  PHE  68           HD2      PHE  68 -18.482 -17.437  -5.382
  402    HD2  PHE  68           HD1      PHE  68 -14.475 -17.740  -3.866
  403    HE1  PHE  68           HE2      PHE  68 -18.364 -19.787  -6.168
  404    HE2  PHE  68           HE1      PHE  68 -14.355 -20.089  -4.653
  405    HZ   PHE  68           HZ       PHE  68 -16.300 -21.113  -5.803
  406    H    SER  69           HN       SER  69 -19.178 -15.265  -1.220
  407    HA   SER  69           HA       SER  69 -17.746 -12.677  -0.782
  408   1HB   SER  69           HB2      SER  69 -19.918 -12.542   0.857
  409   2HB   SER  69           HB1      SER  69 -19.902 -11.932  -0.795
  410    HG   SER  69           HG       SER  69 -20.721 -14.511   0.080
  411    H    GLU  70           HN       GLU  70 -17.586 -15.769   0.194
  412    HA   GLU  70           HA       GLU  70 -17.587 -15.430   3.082
  413   1HB   GLU  70           HB2      GLU  70 -16.216 -17.689   1.635
  414   2HB   GLU  70           HB1      GLU  70 -17.019 -17.706   3.203
  415   1HG   GLU  70           HG2      GLU  70 -18.917 -18.371   2.202
  416   2HG   GLU  70           HG1      GLU  70 -18.950 -16.854   1.305
  417    HA   PRO  71           HA       PRO  71 -12.797 -15.576   2.330
  418   1HB   PRO  71           HB2      PRO  71 -12.268 -14.429  -0.244
  419   2HB   PRO  71           HB1      PRO  71 -11.917 -16.074   0.299
  420   1HG   PRO  71           HG2      PRO  71 -13.933 -15.244  -1.579
  421   2HG   PRO  71           HG1      PRO  71 -13.595 -16.883  -1.009
  422   1HD   PRO  71           HD2      PRO  71 -15.826 -15.175  -0.327
  423   2HD   PRO  71           HD1      PRO  71 -15.536 -16.851   0.174
  424    H    GLU  72           HN       GLU  72 -14.314 -13.631   3.478
  425    HA   GLU  72           HA       GLU  72 -13.884 -10.997   2.349
  426   1HB   GLU  72           HB2      GLU  72 -15.482 -12.016   4.354
  427   2HB   GLU  72           HB1      GLU  72 -14.257 -11.132   5.263
  428   1HG   GLU  72           HG2      GLU  72 -15.281  -9.200   4.744
  429   2HG   GLU  72           HG1      GLU  72 -14.980  -9.515   3.035
  430    H    ILE  73           HN       ILE  73 -12.662 -12.210   5.484
  431    HA   ILE  73           HA       ILE  73 -10.561 -10.394   5.760
  432    HB   ILE  73           HB       ILE  73 -11.414 -12.178   7.415
  433   1HG1  ILE  73          HG12      ILE  73  -8.748 -12.499   8.028
  434   2HG1  ILE  73          HG11      ILE  73  -8.735 -11.068   6.996
  435   1HG2  ILE  73          HG22      ILE  73 -11.044 -14.115   5.909
  436   2HG2  ILE  73          HG21      ILE  73  -9.309 -13.804   5.952
  437   3HG2  ILE  73          HG23      ILE  73 -10.155 -14.288   7.422
  438   1HD1  ILE  73          HD12      ILE  73 -10.890 -10.522   8.555
  439   2HD1  ILE  73          HD11      ILE  73  -9.901 -11.438   9.694
  440   3HD1  ILE  73          HD13      ILE  73  -9.254  -9.982   8.936
  441    H    THR  74           HN       THR  74 -10.649 -13.420   3.921
  442    HA   THR  74           HA       THR  74  -7.863 -13.569   3.321
  443    HB   THR  74           HB       THR  74  -8.515 -15.045   1.495
  444    HG1  THR  74           HG1      THR  74 -10.183 -14.174   0.493
  445   1HG2  THR  74          HG21      THR  74  -9.469 -15.282   4.195
  446   2HG2  THR  74          HG23      THR  74 -10.627 -16.042   3.103
  447   3HG2  THR  74          HG22      THR  74  -8.940 -16.558   3.098
  448    H    LEU  75           HN       LEU  75 -10.558 -12.053   1.516
  449    HA   LEU  75           HA       LEU  75  -8.821 -11.038  -0.565
  450   1HB   LEU  75           HB2      LEU  75 -11.461 -11.330  -0.487
  451   2HB   LEU  75           HB1      LEU  75 -11.398  -9.670   0.104
  452    HG   LEU  75           HG       LEU  75 -10.377 -10.750  -2.528
  453   1HD1  LEU  75          HD11      LEU  75 -12.756  -9.493  -1.721
  454   2HD1  LEU  75          HD13      LEU  75 -11.825  -8.235  -2.535
  455   3HD1  LEU  75          HD12      LEU  75 -12.201  -9.738  -3.377
  456   1HD2  LEU  75          HD21      LEU  75  -9.759  -8.111  -1.164
  457   2HD2  LEU  75          HD23      LEU  75  -8.603  -9.332  -1.694
  458   3HD2  LEU  75          HD22      LEU  75  -9.509  -8.400  -2.886
  459    H    ILE  76           HN       ILE  76 -10.281  -9.508   2.338
  460    HA   ILE  76           HA       ILE  76  -9.181  -6.930   1.907
  461    HB   ILE  76           HB       ILE  76  -9.663  -8.376   4.534
  462   1HG1  ILE  76          HG12      ILE  76 -11.391  -6.291   3.189
  463   2HG1  ILE  76          HG11      ILE  76 -11.606  -8.016   2.886
  464   1HG2  ILE  76          HG22      ILE  76  -8.112  -6.298   4.490
  465   2HG2  ILE  76          HG21      ILE  76  -9.575  -5.391   4.105
  466   3HG2  ILE  76          HG23      ILE  76  -9.467  -6.286   5.620
  467   1HD1  ILE  76          HD12      ILE  76 -11.520  -6.939   5.701
  468   2HD1  ILE  76          HD11      ILE  76 -13.019  -6.930   4.773
  469   3HD1  ILE  76          HD13      ILE  76 -12.209  -8.457   5.123
  470    H    ILE  77           HN       ILE  77  -7.814  -9.733   3.665
  471    HA   ILE  77           HA       ILE  77  -5.343  -8.519   4.372
  472    HB   ILE  77           HB       ILE  77  -6.132 -11.382   3.803
  473   1HG1  ILE  77          HG12      ILE  77  -5.173 -10.092   6.367
  474   2HG1  ILE  77          HG11      ILE  77  -6.871 -10.085   5.891
  475   1HG2  ILE  77          HG21      ILE  77  -3.745 -11.088   3.193
  476   2HG2  ILE  77          HG23      ILE  77  -3.440 -10.369   4.775
  477   3HG2  ILE  77          HG22      ILE  77  -3.924 -12.061   4.653
  478   1HD1  ILE  77          HD12      ILE  77  -5.967 -12.738   5.526
  479   2HD1  ILE  77          HD11      ILE  77  -5.345 -12.217   7.092
  480   3HD1  ILE  77          HD13      ILE  77  -7.076 -12.148   6.764
  481    H    PHE  78           HN       PHE  78  -6.262 -10.382   1.476
  482    HA   PHE  78           HA       PHE  78  -3.767 -10.254   0.139
  483   1HB   PHE  78           HB2      PHE  78  -6.589 -10.684  -0.692
  484   2HB   PHE  78           HB1      PHE  78  -5.478 -10.161  -1.957
  485    HD1  PHE  78           HD1      PHE  78  -3.118 -11.396  -1.934
  486    HD2  PHE  78           HD2      PHE  78  -6.735 -12.972  -0.237
  487    HE1  PHE  78           HE1      PHE  78  -2.185 -13.689  -2.075
  488    HE2  PHE  78           HE2      PHE  78  -5.802 -15.264  -0.376
  489    HZ   PHE  78           HZ       PHE  78  -3.528 -15.623  -1.297
  490    H    GLY  79           HN       GLY  79  -6.535  -7.984  -0.012
  491   1HA   GLY  79           HA2      GLY  79  -5.394  -6.179  -1.875
  492   2HA   GLY  79           HA1      GLY  79  -6.561  -5.715  -0.636
  493    H    VAL  80           HN       VAL  80  -5.149  -6.191   1.705
  494    HA   VAL  80           HA       VAL  80  -3.510  -3.885   1.933
  495    HB   VAL  80           HB       VAL  80  -3.442  -6.398   3.629
  496   1HG1  VAL  80          HG12      VAL  80  -1.837  -4.054   3.672
  497   2HG1  VAL  80          HG11      VAL  80  -2.952  -3.936   5.034
  498   3HG1  VAL  80          HG13      VAL  80  -1.896  -5.340   4.877
  499   1HG2  VAL  80          HG22      VAL  80  -5.487  -4.437   3.208
  500   2HG2  VAL  80          HG21      VAL  80  -5.484  -5.777   4.355
  501   3HG2  VAL  80          HG23      VAL  80  -4.835  -4.208   4.831
  502    H    MET  81           HN       MET  81  -2.605  -7.310   1.545
  503    HA   MET  81           HA       MET  81   0.211  -6.950   1.481
  504   1HB   MET  81           HB2      MET  81  -1.567  -8.972   0.088
  505   2HB   MET  81           HB1      MET  81   0.195  -9.068   0.098
  506   1HG   MET  81           HG2      MET  81  -1.089  -8.672   2.742
  507   2HG   MET  81           HG1      MET  81  -1.362 -10.240   1.982
  508   1HE   MET  81           HE3      MET  81  -0.079 -11.710   1.309
  509   2HE   MET  81           HE2      MET  81   1.657 -11.651   1.012
  510   3HE   MET  81           HE1      MET  81   1.052 -12.291   2.538
  511    H    ALA  82           HN       ALA  82  -2.179  -6.927  -1.158
  512    HA   ALA  82           HA       ALA  82  -0.382  -6.482  -3.290
  513   1HB   ALA  82           HB3      ALA  82  -3.267  -6.294  -2.881
  514   2HB   ALA  82           HB2      ALA  82  -2.677  -5.065  -4.004
  515   3HB   ALA  82           HB1      ALA  82  -2.365  -6.769  -4.317
  516    H    GLY  83           HN       GLY  83  -2.060  -4.043  -1.226
  517   1HA   GLY  83           HA2      GLY  83  -1.050  -1.763  -2.574
  518   2HA   GLY  83           HA1      GLY  83  -1.469  -1.799  -0.859
  519    H    VAL  84           HN       VAL  84   0.346  -3.610   0.162
  520    HA   VAL  84           HA       VAL  84   2.720  -2.069   0.433
  521    HB   VAL  84           HB       VAL  84   2.244  -5.033   0.863
  522   1HG1  VAL  84          HG11      VAL  84   4.646  -4.553   0.526
  523   2HG1  VAL  84          HG13      VAL  84   4.563  -3.292   1.757
  524   3HG1  VAL  84          HG12      VAL  84   4.311  -4.979   2.205
  525   1HG2  VAL  84          HG22      VAL  84   1.486  -2.668   2.288
  526   2HG2  VAL  84          HG21      VAL  84   1.217  -4.350   2.747
  527   3HG2  VAL  84          HG23      VAL  84   2.694  -3.524   3.248
  528    H    ILE  85           HN       ILE  85   2.069  -4.942  -1.588
  529    HA   ILE  85           HA       ILE  85   4.617  -5.145  -2.801
  530    HB   ILE  85           HB       ILE  85   1.876  -5.783  -3.931
  531   1HG1  ILE  85          HG12      ILE  85   3.954  -7.679  -2.819
  532   2HG1  ILE  85          HG11      ILE  85   2.734  -6.932  -1.788
  533   1HG2  ILE  85          HG22      ILE  85   3.818  -5.482  -5.595
  534   2HG2  ILE  85          HG21      ILE  85   4.525  -6.912  -4.843
  535   3HG2  ILE  85          HG23      ILE  85   2.957  -7.020  -5.645
  536   1HD1  ILE  85          HD12      ILE  85   2.059  -8.483  -4.300
  537   2HD1  ILE  85          HD11      ILE  85   2.099  -9.212  -2.694
  538   3HD1  ILE  85          HD13      ILE  85   0.943  -7.928  -3.052
  539    H    GLY  86           HN       GLY  86   1.743  -3.295  -3.883
  540   1HA   GLY  86           HA2      GLY  86   2.852  -2.272  -6.272
  541   2HA   GLY  86           HA1      GLY  86   1.609  -1.451  -5.327
  542    H    THR  87           HN       THR  87   2.952  -0.876  -2.970
  543    HA   THR  87           HA       THR  87   4.435   1.450  -3.642
  544    HB   THR  87           HB       THR  87   4.642  -0.188  -1.095
  545    HG1  THR  87           HG1      THR  87   2.505   0.620  -1.900
  546   1HG2  THR  87          HG21      THR  87   5.309   2.683  -1.789
  547   2HG2  THR  87          HG23      THR  87   5.164   2.098  -0.131
  548   3HG2  THR  87          HG22      THR  87   6.409   1.441  -1.193
  549    H    ILE  88           HN       ILE  88   5.555  -1.790  -2.667
  550    HA   ILE  88           HA       ILE  88   8.343  -1.290  -2.795
  551    HB   ILE  88           HB       ILE  88   6.845  -3.836  -3.490
  552   1HG1  ILE  88          HG12      ILE  88   8.154  -3.045  -0.877
  553   2HG1  ILE  88          HG11      ILE  88   6.439  -2.792  -1.201
  554   1HG2  ILE  88          HG22      ILE  88   9.743  -3.235  -2.877
  555   2HG2  ILE  88          HG21      ILE  88   9.062  -4.853  -2.703
  556   3HG2  ILE  88          HG23      ILE  88   9.081  -4.068  -4.283
  557   1HD1  ILE  88          HD12      ILE  88   6.381  -5.298  -1.821
  558   2HD1  ILE  88          HD11      ILE  88   7.943  -5.401  -1.010
  559   3HD1  ILE  88          HD13      ILE  88   6.514  -4.891  -0.111
  560    H    LEU  89           HN       LEU  89   6.103  -2.420  -5.335
  561    HA   LEU  89           HA       LEU  89   8.018  -2.657  -7.403
  562   1HB   LEU  89           HB2      LEU  89   6.230  -3.111  -8.737
  563   2HB   LEU  89           HB1      LEU  89   5.329  -3.101  -7.228
  564    HG   LEU  89           HG       LEU  89   4.983  -0.583  -7.648
  565   1HD1  LEU  89          HD12      LEU  89   6.702  -1.186  -9.814
  566   2HD1  LEU  89          HD11      LEU  89   5.115  -0.872 -10.516
  567   3HD1  LEU  89          HD13      LEU  89   5.886   0.343  -9.494
  568   1HD2  LEU  89          HD21      LEU  89   3.354  -2.561  -8.062
  569   2HD2  LEU  89          HD23      LEU  89   2.996  -1.019  -8.841
  570   3HD2  LEU  89          HD22      LEU  89   3.735  -2.325  -9.768
  571    H    LEU  90           HN       LEU  90   6.076   0.183  -6.431
  572    HA   LEU  90           HA       LEU  90   7.031   1.964  -8.432
  573   1HB   LEU  90           HB2      LEU  90   5.250   2.269  -6.457
  574   2HB   LEU  90           HB1      LEU  90   6.638   3.005  -5.654
  575    HG   LEU  90           HG       LEU  90   5.435   4.743  -6.841
  576   1HD1  LEU  90          HD12      LEU  90   8.046   4.484  -6.959
  577   2HD1  LEU  90          HD11      LEU  90   7.749   4.145  -8.665
  578   3HD1  LEU  90          HD13      LEU  90   7.250   5.688  -7.972
  579   1HD2  LEU  90          HD21      LEU  90   5.308   2.638  -8.905
  580   2HD2  LEU  90          HD23      LEU  90   4.199   3.974  -8.593
  581   3HD2  LEU  90          HD22      LEU  90   5.665   4.246  -9.535
  582    H    ILE  91           HN       ILE  91   8.343   1.269  -5.181
  583    HA   ILE  91           HA       ILE  91  10.567   3.033  -5.311
  584    HB   ILE  91           HB       ILE  91  10.466   0.302  -3.988
  585   1HG1  ILE  91          HG12      ILE  91   9.722   3.029  -2.878
  586   2HG1  ILE  91          HG11      ILE  91   8.561   1.791  -3.358
  587   1HG2  ILE  91          HG22      ILE  91  12.655   1.802  -4.300
  588   2HG2  ILE  91          HG21      ILE  91  11.972   2.645  -2.911
  589   3HG2  ILE  91          HG23      ILE  91  12.345   0.925  -2.802
  590   1HD1  ILE  91          HD13      ILE  91  10.697   1.460  -1.230
  591   2HD1  ILE  91          HD12      ILE  91   8.980   1.726  -0.921
  592   3HD1  ILE  91          HD11      ILE  91   9.517   0.238  -1.702
  593    H    SER  92           HN       SER  92  10.304  -0.386  -6.327
  594    HA   SER  92           HA       SER  92  12.976  -0.666  -7.239
  595   1HB   SER  92           HB2      SER  92  10.398  -2.025  -7.733
  596   2HB   SER  92           HB1      SER  92  11.566  -2.168  -9.044
  597    HG   SER  92           HG       SER  92  11.525  -3.603  -6.924
  598    H    TYR  93           HN       TYR  93  10.054   0.438  -8.975
  599    HA   TYR  93           HA       TYR  93  11.292   0.949 -11.476
  600   1HB   TYR  93           HB2      TYR  93   8.758   1.315 -10.395
  601   2HB   TYR  93           HB1      TYR  93   9.297   2.959 -10.736
  602    HD1  TYR  93           HD1      TYR  93  10.851   2.893 -13.087
  603    HD2  TYR  93           HD2      TYR  93   7.449   0.459 -12.118
  604    HE1  TYR  93           HE1      TYR  93  10.420   2.536 -15.503
  605    HE2  TYR  93           HE2      TYR  93   7.017   0.101 -14.534
  606    HH   TYR  93           HH       TYR  93   7.814   1.755 -16.807
  607    H    GLY  94           HN       GLY  94  10.860   3.138  -8.666
  608   1HA   GLY  94           HA2      GLY  94  12.118   5.410  -9.803
  609   2HA   GLY  94           HA1      GLY  94  12.070   5.061  -8.073
  610    H    ILE  95           HN       ILE  95  13.522   2.732  -7.898
  611    HA   ILE  95           HA       ILE  95  16.214   3.647  -7.953
  612    HB   ILE  95           HB       ILE  95  14.941   0.929  -7.716
  613   1HG1  ILE  95          HG12      ILE  95  16.899   1.589  -5.732
  614   2HG1  ILE  95          HG11      ILE  95  15.864   2.995  -5.976
  615   1HG2  ILE  95          HG23      ILE  95  17.761   1.523  -8.459
  616   2HG2  ILE  95          HG22      ILE  95  17.520   0.339  -7.174
  617   3HG2  ILE  95          HG21      ILE  95  16.799   0.075  -8.762
  618   1HD1  ILE  95          HD12      ILE  95  14.001   1.014  -5.953
  619   2HD1  ILE  95          HD11      ILE  95  15.203   0.337  -4.855
  620   3HD1  ILE  95          HD13      ILE  95  14.489   1.913  -4.516
  621    H    ARG  96           HN       ARG  96  14.473   1.544 -10.256
  622    HA   ARG  96           HA       ARG  96  16.617   1.109 -12.057
  623   1HB   ARG  96           HB2      ARG  96  14.320   0.013 -12.119
  624   2HB   ARG  96           HB1      ARG  96  13.729   1.489 -12.886
  625   1HG   ARG  96           HG2      ARG  96  14.362   0.551 -14.842
  626   2HG   ARG  96           HG1      ARG  96  16.018   0.894 -14.337
  627   1HD   ARG  96           HD2      ARG  96  15.709  -1.491 -14.976
  628   2HD   ARG  96           HD1      ARG  96  16.187  -1.310 -13.289
  629    HE   ARG  96           HE       ARG  96  13.418  -1.357 -13.191
  630   1HH1  ARG  96          HH11      ARG  96  14.683  -3.127 -15.636
  631   2HH1  ARG  96          HH12      ARG  96  14.326  -4.690 -14.979
  632   1HH2  ARG  96          HH21      ARG  96  13.469  -3.472 -11.848
  633   2HH2  ARG  96          HH22      ARG  96  13.640  -4.885 -12.835
  634    H    ARG  97           HN       ARG  97  14.188   3.729 -12.029
  635    HA   ARG  97           HA       ARG  97  15.126   5.061 -14.344
  636   1HB   ARG  97           HB2      ARG  97  13.059   5.553 -12.741
  637   2HB   ARG  97           HB1      ARG  97  14.192   6.692 -12.010
  638   1HG   ARG  97           HG2      ARG  97  14.350   6.895 -14.880
  639   2HG   ARG  97           HG1      ARG  97  12.667   7.049 -14.375
  640   1HD   ARG  97           HD2      ARG  97  13.106   9.177 -13.787
  641   2HD   ARG  97           HD1      ARG  97  14.156   8.557 -12.514
  642    HE   ARG  97           HE       ARG  97  15.752   8.497 -14.781
  643   1HH1  ARG  97          HH11      ARG  97  15.175  10.551 -12.290
  644   2HH1  ARG  97          HH12      ARG  97  15.568  12.017 -13.125
  645   1HH2  ARG  97          HH21      ARG  97  15.684  10.518 -16.250
  646   2HH2  ARG  97          HH22      ARG  97  15.857  11.997 -15.367
  647    H    LEU  98           HN       LEU  98  16.109   5.479 -10.941
  648    HA   LEU  98           HA       LEU  98  17.990   7.552 -11.346
  649   1HB   LEU  98           HB2      LEU  98  17.510   5.479  -9.292
  650   2HB   LEU  98           HB1      LEU  98  19.165   6.087  -9.362
  651    HG   LEU  98           HG       LEU  98  16.848   8.006  -9.393
  652   1HD1  LEU  98          HD13      LEU  98  16.949   6.234  -7.390
  653   2HD1  LEU  98          HD12      LEU  98  18.186   7.348  -6.807
  654   3HD1  LEU  98          HD11      LEU  98  16.549   7.928  -7.108
  655   1HD2  LEU  98          HD21      LEU  98  19.522   8.362  -9.710
  656   2HD2  LEU  98          HD23      LEU  98  18.462   9.583  -9.004
  657   3HD2  LEU  98          HD22      LEU  98  19.396   8.513  -7.957
  658    H    ILE  99           HN       ILE  99  18.483   4.006 -11.479
  659    HA   ILE  99           HA       ILE  99  21.253   4.370 -12.361
  660    HB   ILE  99           HB       ILE  99  21.153   1.851 -12.606
  661   1HG1  ILE  99          HG12      ILE  99  18.552   1.894 -11.141
  662   2HG1  ILE  99          HG11      ILE  99  18.500   2.165 -12.882
  663   1HG2  ILE  99          HG23      ILE  99  21.852   3.007 -10.504
  664   2HG2  ILE  99          HG22      ILE  99  20.179   2.949  -9.951
  665   3HG2  ILE  99          HG21      ILE  99  21.079   1.453 -10.198
  666   1HD1  ILE  99          HD11      ILE  99  19.949   0.083 -13.123
  667   2HD1  ILE  99          HD13      ILE  99  19.629  -0.229 -11.418
  668   3HD1  ILE  99          HD12      ILE  99  18.298  -0.200 -12.575
  669    H    LYS 100           HN       LYS 100  20.082   1.826 -14.161
  670    HA   LYS 100           HA       LYS 100  19.974   1.601 -16.502
  671   1HB   LYS 100           HB2      LYS 100  17.675   2.658 -15.527
  672   2HB   LYS 100           HB1      LYS 100  18.136   3.923 -16.666
  673   1HG   LYS 100           HG2      LYS 100  18.492   1.240 -17.774
  674   2HG   LYS 100           HG1      LYS 100  16.820   1.564 -17.314
  675   1HD   LYS 100           HD2      LYS 100  16.535   2.971 -19.050
  676   2HD   LYS 100           HD1      LYS 100  18.001   3.864 -18.639
  677   1HE   LYS 100           HE2      LYS 100  19.303   1.929 -19.690
  678   2HE   LYS 100           HE1      LYS 100  17.761   1.377 -20.340
  679   1HZ   LYS 100           HZ2      LYS 100  18.965   4.054 -20.786
  680   2HZ   LYS 100           HZ1      LYS 100  18.929   2.785 -21.915
  681   3HZ   LYS 100           HZ3      LYS 100  17.482   3.516 -21.418
  682    H    LYS 101           HN       LYS 101  22.181   2.426 -16.829
  683    HA   LYS 101           HA       LYS 101  22.404   4.393 -18.820
  684   1HB   LYS 101           HB2      LYS 101  21.865   5.622 -16.377
  685   2HB   LYS 101           HB1      LYS 101  23.614   5.775 -16.548
  686   1HG   LYS 101           HG2      LYS 101  23.430   6.937 -18.599
  687   2HG   LYS 101           HG1      LYS 101  21.755   6.436 -18.831
  688   1HD   LYS 101           HD2      LYS 101  21.567   7.735 -16.441
  689   2HD   LYS 101           HD1      LYS 101  22.850   8.661 -17.219
  690   1HE   LYS 101           HE2      LYS 101  21.161   8.498 -19.296
  691   2HE   LYS 101           HE1      LYS 101  19.985   8.380 -17.988
  692   1HZ   LYS 101           HZ3      LYS 101  22.070  10.476 -18.029
  693   2HZ   LYS 101           HZ2      LYS 101  20.571  10.689 -18.800
  694   3HZ   LYS 101           HZ1      LYS 101  20.637  10.433 -17.122
   
  No H/Q in entry =         694
  Start of MODEL   12
    1   1H    VAL  62           HT2      VAL  62 -35.302 -12.150   3.250
    2   2H    VAL  62           HT1      VAL  62 -36.753 -12.945   2.861
    3   3H    VAL  62           HT3      VAL  62 -36.767 -11.634   3.937
    4    HA   VAL  62           HA       VAL  62 -36.697 -13.140   5.558
    5    HB   VAL  62           HB       VAL  62 -37.313 -14.908   3.954
    6   1HG1  VAL  62          HG12      VAL  62 -35.123 -14.304   2.573
    7   2HG1  VAL  62          HG11      VAL  62 -34.423 -15.589   3.559
    8   3HG1  VAL  62          HG13      VAL  62 -35.806 -15.930   2.519
    9   1HG2  VAL  62          HG21      VAL  62 -36.494 -15.367   6.364
   10   2HG2  VAL  62          HG23      VAL  62 -36.540 -16.735   5.252
   11   3HG2  VAL  62          HG22      VAL  62 -35.006 -15.940   5.609
   12    H    GLN  63           HN       GLN  63 -34.989 -14.294   6.911
   13    HA   GLN  63           HA       GLN  63 -32.407 -12.891   6.528
   14   1HB   GLN  63           HB2      GLN  63 -33.922 -13.235   8.766
   15   2HB   GLN  63           HB1      GLN  63 -32.841 -14.616   8.918
   16   1HG   GLN  63           HG2      GLN  63 -32.036 -12.484  10.039
   17   2HG   GLN  63           HG1      GLN  63 -30.893 -13.193   8.902
   18   1HE2  GLN  63          HE22      GLN  63 -30.843 -10.322   6.868
   19   2HE2  GLN  63          HE21      GLN  63 -30.125 -11.800   7.293
   20    H    LEU  64           HN       LEU  64 -30.766 -14.755   7.956
   21    HA   LEU  64           HA       LEU  64 -29.659 -16.831   7.716
   22   1HB   LEU  64           HB2      LEU  64 -32.222 -17.438   6.812
   23   2HB   LEU  64           HB1      LEU  64 -31.185 -17.869   5.452
   24    HG   LEU  64           HG       LEU  64 -30.300 -18.696   8.182
   25   1HD1  LEU  64          HD11      LEU  64 -32.844 -19.208   7.775
   26   2HD1  LEU  64          HD13      LEU  64 -32.229 -20.434   6.667
   27   3HD1  LEU  64          HD12      LEU  64 -31.790 -20.489   8.374
   28   1HD2  LEU  64          HD21      LEU  64 -30.265 -19.998   5.439
   29   2HD2  LEU  64          HD23      LEU  64 -28.922 -19.130   6.183
   30   3HD2  LEU  64          HD22      LEU  64 -29.490 -20.645   6.886
   31    H    ALA  65           HN       ALA  65 -29.838 -14.312   5.710
   32    HA   ALA  65           HA       ALA  65 -28.379 -15.503   3.434
   33   1HB   ALA  65           HB1      ALA  65 -29.280 -12.670   4.031
   34   2HB   ALA  65           HB3      ALA  65 -28.389 -13.131   2.580
   35   3HB   ALA  65           HB2      ALA  65 -29.998 -13.791   2.873
   36    H    HIS  66           HN       HIS  66 -27.196 -15.485   6.149
   37    HA   HIS  66           HA       HIS  66 -25.052 -15.156   7.045
   38   1HB   HIS  66           HB2      HIS  66 -24.367 -13.945   4.353
   39   2HB   HIS  66           HB1      HIS  66 -23.246 -14.618   5.535
   40    HD1  HIS  66           HD1      HIS  66 -25.822 -15.623   2.987
   41    HD2  HIS  66           HD2      HIS  66 -23.123 -17.459   5.582
   42    HE1  HIS  66           HE1      HIS  66 -25.754 -18.069   2.335
   43    H    HIS  67           HN       HIS  67 -27.214 -12.854   6.451
   44    HA   HIS  67           HA       HIS  67 -27.352 -10.526   6.821
   45   1HB   HIS  67           HB2      HIS  67 -26.351  -9.900   9.032
   46   2HB   HIS  67           HB1      HIS  67 -27.320 -11.373   9.097
   47    HD1  HIS  67           HD1      HIS  67 -23.810 -10.120   9.379
   48    HD2  HIS  67           HD2      HIS  67 -25.798 -13.784   9.421
   49    HE1  HIS  67           HE1      HIS  67 -22.139 -11.834  10.209
   50    H    PHE  68           HN       PHE  68 -26.301  -9.515   5.090
   51    HA   PHE  68           HA       PHE  68 -23.626  -9.408   4.418
   52   1HB   PHE  68           HB2      PHE  68 -25.876  -7.972   3.696
   53   2HB   PHE  68           HB1      PHE  68 -24.833  -6.731   4.391
   54    HD1  PHE  68           HD2      PHE  68 -24.255  -9.823   2.332
   55    HD2  PHE  68           HD1      PHE  68 -23.604  -5.601   2.778
   56    HE1  PHE  68           HE2      PHE  68 -22.879  -9.817   0.268
   57    HE2  PHE  68           HE1      PHE  68 -22.228  -5.595   0.714
   58    HZ   PHE  68           HZ       PHE  68 -21.866  -7.702  -0.541
   59    H    SER  69           HN       SER  69 -21.989  -7.637   4.866
   60    HA   SER  69           HA       SER  69 -22.026  -7.016   7.785
   61   1HB   SER  69           HB2      SER  69 -19.866  -7.636   5.818
   62   2HB   SER  69           HB1      SER  69 -19.478  -6.540   7.140
   63    HG   SER  69           HG       SER  69 -19.772  -8.118   8.555
   64    H    GLU  70           HN       GLU  70 -19.882  -5.381   5.552
   65    HA   GLU  70           HA       GLU  70 -21.347  -3.103   4.868
   66   1HB   GLU  70           HB2      GLU  70 -21.014  -3.254   7.687
   67   2HB   GLU  70           HB1      GLU  70 -19.969  -1.955   7.109
   68   1HG   GLU  70           HG2      GLU  70 -22.432  -1.763   5.689
   69   2HG   GLU  70           HG1      GLU  70 -22.819  -1.941   7.400
   70    HA   PRO  71           HA       PRO  71 -16.647  -1.844   5.297
   71   1HB   PRO  71           HB2      PRO  71 -15.320  -4.344   5.969
   72   2HB   PRO  71           HB1      PRO  71 -15.228  -2.786   6.800
   73   1HG   PRO  71           HG2      PRO  71 -16.608  -5.125   7.684
   74   2HG   PRO  71           HG1      PRO  71 -16.640  -3.523   8.432
   75   1HD   PRO  71           HD2      PRO  71 -18.754  -4.846   6.980
   76   2HD   PRO  71           HD1      PRO  71 -18.795  -3.254   7.761
   77    H    GLU  72           HN       GLU  72 -16.329  -5.335   4.733
   78    HA   GLU  72           HA       GLU  72 -15.446  -6.398   2.808
   79   1HB   GLU  72           HB2      GLU  72 -17.913  -5.025   1.711
   80   2HB   GLU  72           HB1      GLU  72 -17.166  -6.492   1.077
   81   1HG   GLU  72           HG2      GLU  72 -18.129  -7.793   2.657
   82   2HG   GLU  72           HG1      GLU  72 -17.736  -6.654   3.946
   83    H    ILE  73           HN       ILE  73 -16.441  -4.960   0.118
   84    HA   ILE  73           HA       ILE  73 -14.077  -4.199  -0.966
   85    HB   ILE  73           HB       ILE  73 -16.436  -4.061  -1.992
   86   1HG1  ILE  73          HG12      ILE  73 -15.343  -1.743  -3.159
   87   2HG1  ILE  73          HG11      ILE  73 -13.970  -2.686  -2.575
   88   1HG2  ILE  73          HG22      ILE  73 -17.311  -2.413  -0.339
   89   2HG2  ILE  73          HG21      ILE  73 -16.175  -1.218  -0.965
   90   3HG2  ILE  73          HG23      ILE  73 -17.460  -1.840  -2.000
   91   1HD1  ILE  73          HD12      ILE  73 -15.629  -4.611  -3.679
   92   2HD1  ILE  73          HD11      ILE  73 -15.801  -3.249  -4.789
   93   3HD1  ILE  73          HD13      ILE  73 -14.203  -3.920  -4.456
   94    H    THR  74           HN       THR  74 -16.094  -2.027   1.026
   95    HA   THR  74           HA       THR  74 -14.399   0.236   0.946
   96    HB   THR  74           HB       THR  74 -15.603   1.051   2.780
   97    HG1  THR  74           HG1      THR  74 -15.274  -0.233   4.427
   98   1HG2  THR  74          HG23      THR  74 -17.000  -0.389   0.842
   99   2HG2  THR  74          HG22      THR  74 -17.719  -0.907   2.367
  100   3HG2  THR  74          HG21      THR  74 -17.682   0.806   1.947
  101    H    LEU  75           HN       LEU  75 -14.374  -2.561   3.173
  102    HA   LEU  75           HA       LEU  75 -12.050  -1.599   4.622
  103   1HB   LEU  75           HB2      LEU  75 -13.894  -3.515   5.147
  104   2HB   LEU  75           HB1      LEU  75 -12.571  -4.519   4.555
  105    HG   LEU  75           HG       LEU  75 -12.534  -2.577   6.872
  106   1HD1  LEU  75          HD13      LEU  75 -13.226  -5.144   6.919
  107   2HD1  LEU  75          HD12      LEU  75 -11.479  -5.378   6.907
  108   3HD1  LEU  75          HD11      LEU  75 -12.235  -4.451   8.202
  109   1HD2  LEU  75          HD23      LEU  75 -10.267  -3.796   5.294
  110   2HD2  LEU  75          HD22      LEU  75 -10.470  -2.121   5.807
  111   3HD2  LEU  75          HD21      LEU  75 -10.065  -3.363   6.991
  112    H    ILE  76           HN       ILE  76 -12.457  -4.075   2.046
  113    HA   ILE  76           HA       ILE  76  -9.739  -4.857   1.939
  114    HB   ILE  76           HB       ILE  76 -11.668  -4.610  -0.389
  115   1HG1  ILE  76          HG12      ILE  76 -11.121  -7.055   1.305
  116   2HG1  ILE  76          HG11      ILE  76 -12.421  -5.926   1.693
  117   1HG2  ILE  76          HG22      ILE  76  -9.269  -4.974  -0.984
  118   2HG2  ILE  76          HG21      ILE  76  -9.270  -6.422   0.023
  119   3HG2  ILE  76          HG23      ILE  76 -10.292  -6.345  -1.412
  120   1HD1  ILE  76          HD11      ILE  76 -12.303  -6.801  -1.134
  121   2HD1  ILE  76          HD13      ILE  76 -12.731  -8.057   0.027
  122   3HD1  ILE  76          HD12      ILE  76 -13.700  -6.586  -0.079
  123    H    ILE  77           HN       ILE  77 -11.376  -2.246   0.074
  124    HA   ILE  77           HA       ILE  77  -9.040  -1.371  -1.307
  125    HB   ILE  77           HB       ILE  77 -11.227  -0.521  -1.944
  126   1HG1  ILE  77          HG12      ILE  77 -10.525   2.085  -1.227
  127   2HG1  ILE  77          HG11      ILE  77  -8.992   1.213  -1.231
  128   1HG2  ILE  77          HG22      ILE  77 -11.906  -0.527   0.597
  129   2HG2  ILE  77          HG21      ILE  77 -11.376   1.152   0.533
  130   3HG2  ILE  77          HG23      ILE  77 -12.678   0.597  -0.520
  131   1HD1  ILE  77          HD13      ILE  77 -10.254   0.263  -3.507
  132   2HD1  ILE  77          HD12      ILE  77 -10.709   1.967  -3.482
  133   3HD1  ILE  77          HD11      ILE  77  -9.006   1.508  -3.475
  134    H    PHE  78           HN       PHE  78 -10.438  -0.347   1.787
  135    HA   PHE  78           HA       PHE  78  -8.495   1.592   2.487
  136   1HB   PHE  78           HB2      PHE  78 -10.351  -0.162   4.064
  137   2HB   PHE  78           HB1      PHE  78  -9.123   0.772   4.916
  138    HD1  PHE  78           HD1      PHE  78 -10.338   2.110   1.757
  139    HD2  PHE  78           HD2      PHE  78 -10.991   2.060   6.003
  140    HE1  PHE  78           HE1      PHE  78 -11.743   4.144   1.564
  141    HE2  PHE  78           HE2      PHE  78 -12.396   4.095   5.808
  142    HZ   PHE  78           HZ       PHE  78 -12.772   5.136   3.590
  143    H    GLY  79           HN       GLY  79  -8.537  -1.916   3.208
  144   1HA   GLY  79           HA2      GLY  79  -6.133  -1.994   4.702
  145   2HA   GLY  79           HA1      GLY  79  -6.750  -3.346   3.752
  146    H    VAL  80           HN       VAL  80  -6.590  -2.361   1.158
  147    HA   VAL  80           HA       VAL  80  -3.845  -2.725   0.520
  148    HB   VAL  80           HB       VAL  80  -5.961  -1.271  -1.101
  149   1HG1  VAL  80          HG11      VAL  80  -3.623  -0.926  -1.876
  150   2HG1  VAL  80          HG13      VAL  80  -3.408  -2.674  -1.952
  151   3HG1  VAL  80          HG12      VAL  80  -4.564  -1.879  -3.022
  152   1HG2  VAL  80          HG21      VAL  80  -6.066  -3.866  -0.199
  153   2HG2  VAL  80          HG23      VAL  80  -6.814  -3.305  -1.695
  154   3HG2  VAL  80          HG22      VAL  80  -5.224  -4.065  -1.736
  155    H    MET  81           HN       MET  81  -5.767   0.274   0.766
  156    HA   MET  81           HA       MET  81  -3.666   2.104   0.201
  157   1HB   MET  81           HB2      MET  81  -6.151   2.319   1.911
  158   2HB   MET  81           HB1      MET  81  -5.043   3.674   1.704
  159   1HG   MET  81           HG2      MET  81  -6.366   2.179  -0.577
  160   2HG   MET  81           HG1      MET  81  -6.931   3.719   0.070
  161   1HE   MET  81           HE3      MET  81  -6.322   3.231  -2.894
  162   2HE   MET  81           HE2      MET  81  -4.696   3.559  -3.489
  163   3HE   MET  81           HE1      MET  81  -5.017   2.075  -2.594
  164    H    ALA  82           HN       ALA  82  -4.778   0.732   3.283
  165    HA   ALA  82           HA       ALA  82  -2.942   2.040   4.982
  166   1HB   ALA  82           HB2      ALA  82  -4.737  -0.264   5.177
  167   2HB   ALA  82           HB1      ALA  82  -3.273  -0.465   6.144
  168   3HB   ALA  82           HB3      ALA  82  -4.311   0.936   6.394
  169    H    GLY  83           HN       GLY  83  -2.556  -1.103   3.251
  170   1HA   GLY  83           HA2      GLY  83  -0.003  -1.722   4.310
  171   2HA   GLY  83           HA1      GLY  83  -0.565  -2.228   2.714
  172    H    VAL  84           HN       VAL  84  -0.863   0.185   1.395
  173    HA   VAL  84           HA       VAL  84   1.801   0.829   0.629
  174    HB   VAL  84           HB       VAL  84  -0.672   2.575   0.400
  175   1HG1  VAL  84          HG12      VAL  84   2.115   2.753  -0.606
  176   2HG1  VAL  84          HG11      VAL  84   0.847   3.108  -1.780
  177   3HG1  VAL  84          HG13      VAL  84   0.950   4.037  -0.285
  178   1HG2  VAL  84          HG21      VAL  84   0.253   0.139  -1.005
  179   2HG2  VAL  84          HG23      VAL  84  -1.374   0.807  -0.864
  180   3HG2  VAL  84          HG22      VAL  84  -0.251   1.461  -2.058
  181    H    ILE  85           HN       ILE  85  -0.442   2.558   2.809
  182    HA   ILE  85           HA       ILE  85   1.270   4.700   3.515
  183    HB   ILE  85           HB       ILE  85  -0.895   3.268   5.074
  184   1HG1  ILE  85          HG12      ILE  85  -1.032   6.087   4.070
  185   2HG1  ILE  85          HG11      ILE  85  -1.202   4.777   2.901
  186   1HG2  ILE  85          HG22      ILE  85   1.007   5.398   5.880
  187   2HG2  ILE  85          HG21      ILE  85  -0.688   5.705   6.257
  188   3HG2  ILE  85          HG23      ILE  85   0.105   4.257   6.878
  189   1HD1  ILE  85          HD11      ILE  85  -2.766   4.477   5.402
  190   2HD1  ILE  85          HD13      ILE  85  -3.285   5.774   4.326
  191   3HD1  ILE  85          HD12      ILE  85  -3.222   4.112   3.738
  192    H    GLY  86           HN       GLY  86   0.898   1.496   5.069
  193   1HA   GLY  86           HA2      GLY  86   2.741   1.886   7.172
  194   2HA   GLY  86           HA1      GLY  86   2.378   0.317   6.450
  195    H    THR  87           HN       THR  87   3.326   0.642   3.864
  196    HA   THR  87           HA       THR  87   6.109   0.188   4.155
  197    HB   THR  87           HB       THR  87   4.520   1.097   1.736
  198    HG1  THR  87           HG1      THR  87   3.988  -0.946   2.574
  199   1HG2  THR  87          HG23      THR  87   7.407   0.328   2.087
  200   2HG2  THR  87          HG22      THR  87   6.578   0.002   0.564
  201   3HG2  THR  87          HG21      THR  87   6.719   1.658   1.154
  202    H    ILE  88           HN       ILE  88   4.369   3.134   3.124
  203    HA   ILE  88           HA       ILE  88   6.645   4.782   2.730
  204    HB   ILE  88           HB       ILE  88   3.871   5.499   3.726
  205   1HG1  ILE  88          HG12      ILE  88   5.188   5.508   0.993
  206   2HG1  ILE  88          HG11      ILE  88   3.824   4.517   1.510
  207   1HG2  ILE  88          HG22      ILE  88   5.696   7.185   4.251
  208   2HG2  ILE  88          HG21      ILE  88   5.949   7.338   2.512
  209   3HG2  ILE  88          HG23      ILE  88   4.398   7.788   3.222
  210   1HD1  ILE  88          HD11      ILE  88   3.784   7.547   1.430
  211   2HD1  ILE  88          HD13      ILE  88   3.143   6.515   0.151
  212   3HD1  ILE  88          HD12      ILE  88   2.419   6.480   1.758
  213    H    LEU  89           HN       LEU  89   4.698   4.234   5.673
  214    HA   LEU  89           HA       LEU  89   6.142   5.962   7.390
  215   1HB   LEU  89           HB2      LEU  89   4.463   5.247   8.716
  216   2HB   LEU  89           HB1      LEU  89   4.133   3.900   7.636
  217    HG   LEU  89           HG       LEU  89   5.970   2.617   8.752
  218   1HD1  LEU  89          HD11      LEU  89   6.466   5.211   9.898
  219   2HD1  LEU  89          HD13      LEU  89   6.132   4.059  11.192
  220   3HD1  LEU  89          HD12      LEU  89   7.432   3.742  10.043
  221   1HD2  LEU  89          HD21      LEU  89   3.402   2.870   9.514
  222   2HD2  LEU  89          HD23      LEU  89   4.544   1.856  10.396
  223   3HD2  LEU  89          HD22      LEU  89   4.178   3.480  10.976
  224    H    LEU  90           HN       LEU  90   6.676   2.504   6.666
  225    HA   LEU  90           HA       LEU  90   8.915   2.109   8.370
  226   1HB   LEU  90           HB2      LEU  90   8.114   0.868   5.733
  227   2HB   LEU  90           HB1      LEU  90   9.587   0.380   6.571
  228    HG   LEU  90           HG       LEU  90   6.981   0.474   8.066
  229   1HD1  LEU  90          HD11      LEU  90   7.802  -1.452   5.952
  230   2HD1  LEU  90          HD13      LEU  90   7.150  -2.144   7.436
  231   3HD1  LEU  90          HD12      LEU  90   6.188  -1.002   6.499
  232   1HD2  LEU  90          HD22      LEU  90   9.498   0.028   8.906
  233   2HD2  LEU  90          HD21      LEU  90   8.111  -0.785   9.630
  234   3HD2  LEU  90          HD23      LEU  90   9.083  -1.613   8.414
  235    H    ILE  91           HN       ILE  91   8.800   3.207   4.974
  236    HA   ILE  91           HA       ILE  91  11.593   3.509   4.589
  237    HB   ILE  91           HB       ILE  91   9.313   5.163   3.458
  238   1HG1  ILE  91          HG12      ILE  91  10.793   2.713   2.450
  239   2HG1  ILE  91          HG11      ILE  91   9.093   2.798   2.916
  240   1HG2  ILE  91          HG23      ILE  91  12.032   5.720   3.371
  241   2HG2  ILE  91          HG22      ILE  91  11.747   4.856   1.860
  242   3HG2  ILE  91          HG21      ILE  91  10.825   6.314   2.230
  243   1HD1  ILE  91          HD11      ILE  91   9.600   4.860   0.995
  244   2HD1  ILE  91          HD13      ILE  91  10.239   3.343   0.361
  245   3HD1  ILE  91          HD12      ILE  91   8.544   3.455   0.838
  246    H    SER  92           HN       SER  92   9.203   5.862   5.842
  247    HA   SER  92           HA       SER  92  11.020   8.003   6.224
  248   1HB   SER  92           HB2      SER  92   9.039   7.678   8.379
  249   2HB   SER  92           HB1      SER  92   9.266   9.017   7.256
  250    HG   SER  92           HG       SER  92   7.296   7.539   7.120
  251    H    TYR  93           HN       TYR  93  10.111   5.349   8.452
  252    HA   TYR  93           HA       TYR  93  11.808   6.102  10.603
  253   1HB   TYR  93           HB2      TYR  93  10.236   3.822   9.866
  254   2HB   TYR  93           HB1      TYR  93  11.829   3.253  10.365
  255    HD1  TYR  93           HD2      TYR  93  12.712   5.035  12.416
  256    HD2  TYR  93           HD1      TYR  93   8.728   3.630  11.637
  257    HE1  TYR  93           HE2      TYR  93  12.111   5.422  14.790
  258    HE2  TYR  93           HE1      TYR  93   8.127   4.017  14.012
  259    HH   TYR  93           HH       TYR  93  10.005   4.184  16.378
  260    H    GLY  94           HN       GLY  94  12.467   3.977   7.797
  261   1HA   GLY  94           HA2      GLY  94  15.161   3.361   8.423
  262   2HA   GLY  94           HA1      GLY  94  14.501   3.399   6.786
  263    H    ILE  95           HN       ILE  95  13.803   6.042   6.502
  264    HA   ILE  95           HA       ILE  95  16.261   7.287   5.827
  265    HB   ILE  95           HB       ILE  95  13.449   8.306   6.174
  266   1HG1  ILE  95          HG12      ILE  95  14.846   8.919   3.709
  267   2HG1  ILE  95          HG11      ILE  95  14.980   7.200   4.080
  268   1HG2  ILE  95          HG21      ILE  95  14.943  10.115   6.993
  269   2HG2  ILE  95          HG23      ILE  95  15.859  10.019   5.489
  270   3HG2  ILE  95          HG22      ILE  95  14.175  10.542   5.462
  271   1HD1  ILE  95          HD11      ILE  95  12.412   7.390   4.590
  272   2HD1  ILE  95          HD13      ILE  95  12.511   8.846   3.599
  273   3HD1  ILE  95          HD12      ILE  95  12.956   7.281   2.915
  274    H    ARG  96           HN       ARG  96  14.177   7.796   8.694
  275    HA   ARG  96           HA       ARG  96  15.748   9.805   9.934
  276   1HB   ARG  96           HB2      ARG  96  13.557   9.229  10.819
  277   2HB   ARG  96           HB1      ARG  96  14.090   7.586  11.176
  278   1HG   ARG  96           HG2      ARG  96  15.981   9.107  12.485
  279   2HG   ARG  96           HG1      ARG  96  14.515  10.063  12.701
  280   1HD   ARG  96           HD2      ARG  96  14.930   7.157  13.438
  281   2HD   ARG  96           HD1      ARG  96  14.622   8.503  14.535
  282    HE   ARG  96           HE       ARG  96  12.573   6.984  13.514
  283   1HH1  ARG  96          HH21      ARG  96  11.810   8.207  11.222
  284   2HH1  ARG  96          HH22      ARG  96  11.028   9.693  11.647
  285   1HH2  ARG  96          HH11      ARG  96  12.342   9.780  14.853
  286   2HH2  ARG  96          HH12      ARG  96  11.330  10.584  13.700
  287    H    ARG  97           HN       ARG  97  15.972   6.251  10.220
  288    HA   ARG  97           HA       ARG  97  18.125   6.206  12.053
  289   1HB   ARG  97           HB2      ARG  97  16.935   4.156  11.479
  290   2HB   ARG  97           HB1      ARG  97  17.465   4.283   9.801
  291   1HG   ARG  97           HG2      ARG  97  19.653   4.360  11.780
  292   2HG   ARG  97           HG1      ARG  97  18.773   2.833  11.721
  293   1HD   ARG  97           HD2      ARG  97  19.379   2.407   9.522
  294   2HD   ARG  97           HD1      ARG  97  19.586   4.116   9.140
  295    HE   ARG  97           HE       ARG  97  21.587   3.611  10.985
  296   1HH1  ARG  97          HH21      ARG  97  21.573   3.910   7.807
  297   2HH1  ARG  97          HH22      ARG  97  22.691   2.644   7.422
  298   1HH2  ARG  97          HH11      ARG  97  22.594   1.234  10.589
  299   2HH2  ARG  97          HH12      ARG  97  23.268   1.129   8.997
  300    H    LEU  98           HN       LEU  98  18.185   6.291   8.484
  301    HA   LEU  98           HA       LEU  98  20.996   6.224   8.162
  302   1HB   LEU  98           HB2      LEU  98  18.723   7.330   6.552
  303   2HB   LEU  98           HB1      LEU  98  20.371   7.757   6.087
  304    HG   LEU  98           HG       LEU  98  19.901   4.890   6.689
  305   1HD1  LEU  98          HD12      LEU  98  18.648   6.335   4.350
  306   2HD1  LEU  98          HD11      LEU  98  19.049   4.620   4.278
  307   3HD1  LEU  98          HD13      LEU  98  17.885   5.204   5.467
  308   1HD2  LEU  98          HD21      LEU  98  22.049   5.995   5.849
  309   2HD2  LEU  98          HD23      LEU  98  21.497   4.599   4.924
  310   3HD2  LEU  98          HD22      LEU  98  21.215   6.229   4.312
  311    H    ILE  99           HN       ILE  99  18.839   9.052   8.597
  312    HA   ILE  99           HA       ILE  99  21.142  10.859   8.744
  313    HB   ILE  99           HB       ILE  99  19.347  12.555   9.328
  314   1HG1  ILE  99          HG12      ILE  99  17.345  10.465   8.535
  315   2HG1  ILE  99          HG11      ILE  99  17.878  10.536  10.213
  316   1HG2  ILE  99          HG21      ILE  99  20.085  11.544   6.920
  317   2HG2  ILE  99          HG23      ILE  99  18.358  11.189   6.885
  318   3HG2  ILE  99          HG22      ILE  99  18.913  12.849   7.100
  319   1HD1  ILE  99          HD12      ILE  99  17.395  13.202   9.526
  320   2HD1  ILE  99          HD11      ILE  99  16.069  12.311   8.778
  321   3HD1  ILE  99          HD13      ILE  99  16.356  12.173  10.513
  322    H    LYS 100           HN       LYS 100  18.996  11.905  11.083
  323    HA   LYS 100           HA       LYS 100  19.106  11.949  13.421
  324   1HB   LYS 100           HB2      LYS 100  18.676   9.451  12.938
  325   2HB   LYS 100           HB1      LYS 100  20.399   9.226  13.248
  326   1HG   LYS 100           HG2      LYS 100  20.058  10.409  15.460
  327   2HG   LYS 100           HG1      LYS 100  18.322  10.331  15.154
  328   1HD   LYS 100           HD2      LYS 100  19.887   7.804  14.874
  329   2HD   LYS 100           HD1      LYS 100  19.585   8.402  16.506
  330   1HE   LYS 100           HE2      LYS 100  17.624   7.253  16.274
  331   2HE   LYS 100           HE1      LYS 100  17.116   8.709  15.418
  332   1HZ   LYS 100           HZ2      LYS 100  18.531   6.611  13.934
  333   2HZ   LYS 100           HZ1      LYS 100  16.892   6.377  14.312
  334   3HZ   LYS 100           HZ3      LYS 100  17.365   7.720  13.390
  335    H    LYS 101           HN       LYS 101  20.595  12.701  14.929
  336    HA   LYS 101           HA       LYS 101  22.671  13.411  15.769
  337   1HB   LYS 101           HB2      LYS 101  23.149  10.769  14.616
  338   2HB   LYS 101           HB1      LYS 101  24.580  11.797  14.535
  339   1HG   LYS 101           HG2      LYS 101  24.055  12.371  17.009
  340   2HG   LYS 101           HG1      LYS 101  23.020  10.944  16.969
  341   1HD   LYS 101           HD2      LYS 101  25.097   9.736  15.974
  342   2HD   LYS 101           HD1      LYS 101  26.006  11.110  16.605
  343   1HE   LYS 101           HE2      LYS 101  25.726  10.466  18.771
  344   2HE   LYS 101           HE1      LYS 101  24.069   9.927  18.499
  345   1HZ   LYS 101           HZ3      LYS 101  26.099   8.353  17.170
  346   2HZ   LYS 101           HZ2      LYS 101  26.150   8.283  18.866
  347   3HZ   LYS 101           HZ1      LYS 101  24.731   7.851  18.039
  348   1H    VAL  62           HT3      VAL  62 -35.357 -10.800  -6.828
  349   2H    VAL  62           HT2      VAL  62 -34.691 -11.430  -8.259
  350   3H    VAL  62           HT1      VAL  62 -36.372 -11.228  -8.117
  351    HA   VAL  62           HA       VAL  62 -36.540 -12.940  -6.496
  352    HB   VAL  62           HB       VAL  62 -34.812 -13.638  -8.882
  353   1HG1  VAL  62          HG11      VAL  62 -35.920 -15.346  -6.681
  354   2HG1  VAL  62          HG13      VAL  62 -35.883 -15.991  -8.321
  355   3HG1  VAL  62          HG12      VAL  62 -34.385 -15.486  -7.538
  356   1HG2  VAL  62          HG22      VAL  62 -37.101 -12.773  -9.315
  357   2HG2  VAL  62          HG21      VAL  62 -36.943 -14.464  -9.787
  358   3HG2  VAL  62          HG23      VAL  62 -37.761 -14.041  -8.282
  359    H    GLN  63           HN       GLN  63 -33.143 -12.354  -7.423
  360    HA   GLN  63           HA       GLN  63 -32.225 -12.628  -4.704
  361   1HB   GLN  63           HB2      GLN  63 -30.815 -14.715  -5.199
  362   2HB   GLN  63           HB1      GLN  63 -32.539 -14.981  -4.938
  363   1HG   GLN  63           HG2      GLN  63 -32.175 -16.212  -6.886
  364   2HG   GLN  63           HG1      GLN  63 -32.696 -14.661  -7.544
  365   1HE2  GLN  63          HE22      GLN  63 -29.671 -14.170  -9.260
  366   2HE2  GLN  63          HE21      GLN  63 -31.317 -13.787  -9.092
  367    H    LEU  64           HN       LEU  64 -29.801 -12.489  -4.625
  368    HA   LEU  64           HA       LEU  64 -28.669 -11.401  -7.171
  369   1HB   LEU  64           HB2      LEU  64 -29.121 -10.035  -4.674
  370   2HB   LEU  64           HB1      LEU  64 -27.388 -10.127  -4.992
  371    HG   LEU  64           HG       LEU  64 -27.721  -9.174  -7.227
  372   1HD1  LEU  64          HD13      LEU  64 -30.603  -9.501  -6.454
  373   2HD1  LEU  64          HD12      LEU  64 -30.152  -8.196  -7.551
  374   3HD1  LEU  64          HD11      LEU  64 -29.810  -9.872  -7.985
  375   1HD2  LEU  64          HD21      LEU  64 -28.036  -7.834  -4.789
  376   2HD2  LEU  64          HD23      LEU  64 -27.659  -7.094  -6.344
  377   3HD2  LEU  64          HD22      LEU  64 -29.334  -7.205  -5.803
  378    H    ALA  65           HN       ALA  65 -28.125 -13.964  -6.761
  379    HA   ALA  65           HA       ALA  65 -25.667 -14.169  -5.118
  380   1HB   ALA  65           HB3      ALA  65 -27.529 -16.140  -6.404
  381   2HB   ALA  65           HB2      ALA  65 -25.881 -16.641  -6.025
  382   3HB   ALA  65           HB1      ALA  65 -26.949 -16.078  -4.740
  383    H    HIS  66           HN       HIS  66 -25.689 -12.586  -7.595
  384    HA   HIS  66           HA       HIS  66 -24.033 -14.252  -9.420
  385   1HB   HIS  66           HB2      HIS  66 -25.048 -11.417  -9.789
  386   2HB   HIS  66           HB1      HIS  66 -24.287 -12.425 -11.020
  387    HD1  HIS  66           HD1      HIS  66 -25.634 -14.824 -11.417
  388    HD2  HIS  66           HD2      HIS  66 -27.800 -11.661  -9.780
  389    HE1  HIS  66           HE1      HIS  66 -28.081 -15.383 -11.753
  390    H    HIS  67           HN       HIS  67 -22.019 -13.124 -10.294
  391    HA   HIS  67           HA       HIS  67 -19.889 -12.248  -9.828
  392   1HB   HIS  67           HB2      HIS  67 -21.842 -10.283  -8.750
  393   2HB   HIS  67           HB1      HIS  67 -20.181 -10.122  -8.181
  394    HD1  HIS  67           HD1      HIS  67 -20.373  -7.827  -9.694
  395    HD2  HIS  67           HD2      HIS  67 -20.204 -11.441 -11.768
  396    HE1  HIS  67           HE1      HIS  67 -19.728  -7.257 -12.075
  397    H    PHE  68           HN       PHE  68 -19.705 -14.337  -8.510
  398    HA   PHE  68           HA       PHE  68 -20.069 -14.402  -5.695
  399   1HB   PHE  68           HB2      PHE  68 -18.122 -16.131  -5.846
  400   2HB   PHE  68           HB1      PHE  68 -19.634 -16.490  -6.680
  401    HD1  PHE  68           HD1      PHE  68 -16.432 -14.623  -7.310
  402    HD2  PHE  68           HD2      PHE  68 -19.492 -17.191  -8.892
  403    HE1  PHE  68           HE1      PHE  68 -15.216 -14.744  -9.468
  404    HE2  PHE  68           HE2      PHE  68 -18.275 -17.311 -11.050
  405    HZ   PHE  68           HZ       PHE  68 -16.136 -16.087 -11.337
  406    H    SER  69           HN       SER  69 -17.681 -14.935  -4.469
  407    HA   SER  69           HA       SER  69 -15.643 -12.957  -5.030
  408   1HB   SER  69           HB2      SER  69 -16.069 -11.351  -3.371
  409   2HB   SER  69           HB1      SER  69 -17.678 -11.669  -4.014
  410    HG   SER  69           HG       SER  69 -18.176 -12.245  -2.064
  411    H    GLU  70           HN       GLU  70 -14.623 -12.658  -2.423
  412    HA   GLU  70           HA       GLU  70 -14.222 -15.499  -1.574
  413   1HB   GLU  70           HB2      GLU  70 -11.964 -13.683  -1.056
  414   2HB   GLU  70           HB1      GLU  70 -11.962 -15.313  -1.725
  415   1HG   GLU  70           HG2      GLU  70 -12.980 -14.139  -3.848
  416   2HG   GLU  70           HG1      GLU  70 -12.260 -12.688  -3.149
  417    HA   PRO  71           HA       PRO  71 -14.896 -14.462   2.609
  418   1HB   PRO  71           HB2      PRO  71 -12.226 -14.991   3.612
  419   2HB   PRO  71           HB1      PRO  71 -13.684 -15.978   3.785
  420   1HG   PRO  71           HG2      PRO  71 -11.429 -16.534   2.119
  421   2HG   PRO  71           HG1      PRO  71 -12.950 -17.431   2.189
  422   1HD   PRO  71           HD2      PRO  71 -11.996 -15.688   0.081
  423   2HD   PRO  71           HD1      PRO  71 -13.481 -16.661   0.115
  424    H    GLU  72           HN       GLU  72 -14.937 -12.525   3.676
  425    HA   GLU  72           HA       GLU  72 -13.738 -10.197   2.789
  426   1HB   GLU  72           HB2      GLU  72 -13.888  -9.570   5.403
  427   2HB   GLU  72           HB1      GLU  72 -15.314  -9.681   4.371
  428   1HG   GLU  72           HG2      GLU  72 -15.958 -11.735   5.247
  429   2HG   GLU  72           HG1      GLU  72 -14.316 -12.163   5.728
  430    H    ILE  73           HN       ILE  73 -12.588 -11.504   5.909
  431    HA   ILE  73           HA       ILE  73 -10.188 -10.189   6.044
  432    HB   ILE  73           HB       ILE  73 -10.724 -11.486   7.906
  433   1HG1  ILE  73          HG12      ILE  73  -8.277 -11.692   7.012
  434   2HG1  ILE  73          HG11      ILE  73  -8.794 -12.731   8.337
  435   1HG2  ILE  73          HG22      ILE  73 -11.386 -13.545   5.864
  436   2HG2  ILE  73          HG21      ILE  73 -10.858 -14.129   7.441
  437   3HG2  ILE  73          HG23      ILE  73 -12.266 -13.075   7.317
  438   1HD1  ILE  73          HD11      ILE  73  -9.393 -13.915   5.741
  439   2HD1  ILE  73          HD13      ILE  73  -7.673 -13.575   5.922
  440   3HD1  ILE  73          HD12      ILE  73  -8.500 -14.598   7.098
  441    H    THR  74           HN       THR  74 -10.828 -13.125   4.140
  442    HA   THR  74           HA       THR  74  -8.116 -13.598   3.368
  443    HB   THR  74           HB       THR  74 -10.570 -14.197   1.700
  444    HG1  THR  74           HG1      THR  74  -9.417 -15.890   3.636
  445   1HG2  THR  74          HG23      THR  74  -7.813 -15.421   1.947
  446   2HG2  THR  74          HG22      THR  74  -9.145 -16.194   1.089
  447   3HG2  THR  74          HG21      THR  74  -8.515 -14.645   0.528
  448    H    LEU  75           HN       LEU  75 -10.715 -11.749   1.753
  449    HA   LEU  75           HA       LEU  75  -8.931 -10.900  -0.388
  450   1HB   LEU  75           HB2      LEU  75 -11.598 -11.050  -0.273
  451   2HB   LEU  75           HB1      LEU  75 -11.420  -9.372   0.241
  452    HG   LEU  75           HG       LEU  75 -10.430 -10.628  -2.329
  453   1HD1  LEU  75          HD11      LEU  75 -12.825  -9.377  -1.659
  454   2HD1  LEU  75          HD13      LEU  75 -11.885  -8.093  -2.420
  455   3HD1  LEU  75          HD12      LEU  75 -12.195  -9.595  -3.292
  456   1HD2  LEU  75          HD21      LEU  75  -9.654  -8.087  -0.925
  457   2HD2  LEU  75          HD23      LEU  75  -8.641  -9.217  -1.823
  458   3HD2  LEU  75          HD22      LEU  75  -9.712  -8.114  -2.687
  459    H    ILE  76           HN       ILE  76 -10.321  -9.274   2.497
  460    HA   ILE  76           HA       ILE  76  -9.107  -6.754   2.048
  461    HB   ILE  76           HB       ILE  76  -9.569  -8.103   4.726
  462   1HG1  ILE  76          HG12      ILE  76 -11.439  -6.233   3.257
  463   2HG1  ILE  76          HG11      ILE  76 -11.546  -7.986   3.089
  464   1HG2  ILE  76          HG22      ILE  76  -8.160  -6.034   4.740
  465   2HG2  ILE  76          HG21      ILE  76  -9.487  -5.167   3.967
  466   3HG2  ILE  76          HG23      ILE  76  -9.690  -5.829   5.589
  467   1HD1  ILE  76          HD12      ILE  76 -11.349  -7.518   5.855
  468   2HD1  ILE  76          HD11      ILE  76 -12.480  -6.304   5.256
  469   3HD1  ILE  76          HD13      ILE  76 -12.789  -8.015   4.966
  470    H    ILE  77           HN       ILE  77  -7.840  -9.575   3.883
  471    HA   ILE  77           HA       ILE  77  -5.340  -8.390   4.552
  472    HB   ILE  77           HB       ILE  77  -6.230 -10.592   5.431
  473   1HG1  ILE  77          HG12      ILE  77  -3.711 -11.619   4.784
  474   2HG1  ILE  77          HG11      ILE  77  -3.507  -9.869   4.689
  475   1HG2  ILE  77          HG21      ILE  77  -6.845 -11.519   3.217
  476   2HG2  ILE  77          HG23      ILE  77  -5.137 -11.627   2.802
  477   3HG2  ILE  77          HG22      ILE  77  -5.789 -12.601   4.119
  478   1HD1  ILE  77          HD11      ILE  77  -4.798 -11.288   7.034
  479   2HD1  ILE  77          HD13      ILE  77  -3.099 -10.817   6.987
  480   3HD1  ILE  77          HD12      ILE  77  -4.358  -9.582   6.936
  481    H    PHE  78           HN       PHE  78  -6.306 -10.331   1.729
  482    HA   PHE  78           HA       PHE  78  -3.811 -10.316   0.380
  483   1HB   PHE  78           HB2      PHE  78  -6.620 -10.792  -0.365
  484   2HB   PHE  78           HB1      PHE  78  -5.635 -10.157  -1.681
  485    HD1  PHE  78           HD2      PHE  78  -5.464 -12.716   1.062
  486    HD2  PHE  78           HD1      PHE  78  -4.365 -11.642  -2.950
  487    HE1  PHE  78           HE2      PHE  78  -4.431 -14.948   0.747
  488    HE2  PHE  78           HE1      PHE  78  -3.333 -13.874  -3.264
  489    HZ   PHE  78           HZ       PHE  78  -3.365 -15.527  -1.417
  490    H    GLY  79           HN       GLY  79  -6.508  -7.967   0.149
  491   1HA   GLY  79           HA2      GLY  79  -5.327  -6.274  -1.788
  492   2HA   GLY  79           HA1      GLY  79  -6.474  -5.724  -0.566
  493    H    VAL  80           HN       VAL  80  -5.054  -6.122   1.787
  494    HA   VAL  80           HA       VAL  80  -3.369  -3.841   1.888
  495    HB   VAL  80           HB       VAL  80  -3.362  -6.268   3.706
  496   1HG1  VAL  80          HG11      VAL  80  -1.708  -3.925   3.624
  497   2HG1  VAL  80          HG13      VAL  80  -2.746  -3.830   5.046
  498   3HG1  VAL  80          HG12      VAL  80  -1.698  -5.229   4.810
  499   1HG2  VAL  80          HG23      VAL  80  -5.448  -4.551   3.189
  500   2HG2  VAL  80          HG22      VAL  80  -5.222  -5.415   4.710
  501   3HG2  VAL  80          HG21      VAL  80  -4.658  -3.752   4.549
  502    H    MET  81           HN       MET  81  -2.507  -7.301   1.660
  503    HA   MET  81           HA       MET  81   0.312  -6.964   1.585
  504   1HB   MET  81           HB2      MET  81  -1.328  -9.026   0.077
  505   2HB   MET  81           HB1      MET  81   0.378  -9.157   0.508
  506   1HG   MET  81           HG2      MET  81  -0.760  -8.619   2.944
  507   2HG   MET  81           HG1      MET  81  -2.017  -9.584   2.173
  508   1HE   MET  81           HE2      MET  81  -0.988 -11.038   0.299
  509   2HE   MET  81           HE1      MET  81   0.478 -12.007   0.434
  510   3HE   MET  81           HE3      MET  81  -1.030 -12.570   1.168
  511    H    ALA  82           HN       ALA  82  -2.069  -7.041  -1.062
  512    HA   ALA  82           HA       ALA  82  -0.257  -6.680  -3.199
  513   1HB   ALA  82           HB3      ALA  82  -3.146  -6.471  -2.817
  514   2HB   ALA  82           HB2      ALA  82  -2.543  -5.293  -3.987
  515   3HB   ALA  82           HB1      ALA  82  -2.234  -7.011  -4.225
  516    H    GLY  83           HN       GLY  83  -1.947  -4.173  -1.237
  517   1HA   GLY  83           HA2      GLY  83  -0.961  -1.936  -2.661
  518   2HA   GLY  83           HA1      GLY  83  -1.380  -1.916  -0.947
  519    H    VAL  84           HN       VAL  84   0.491  -3.649   0.145
  520    HA   VAL  84           HA       VAL  84   2.815  -2.020   0.341
  521    HB   VAL  84           HB       VAL  84   2.462  -4.983   0.885
  522   1HG1  VAL  84          HG13      VAL  84   4.860  -3.513   0.663
  523   2HG1  VAL  84          HG12      VAL  84   4.555  -3.667   2.393
  524   3HG1  VAL  84          HG11      VAL  84   4.657  -5.109   1.383
  525   1HG2  VAL  84          HG21      VAL  84   1.928  -2.466   2.356
  526   2HG2  VAL  84          HG23      VAL  84   1.183  -4.054   2.536
  527   3HG2  VAL  84          HG22      VAL  84   2.743  -3.723   3.287
  528    H    ILE  85           HN       ILE  85   2.263  -4.987  -1.568
  529    HA   ILE  85           HA       ILE  85   4.813  -5.142  -2.786
  530    HB   ILE  85           HB       ILE  85   2.143  -5.866  -4.029
  531   1HG1  ILE  85          HG12      ILE  85   4.008  -7.646  -2.440
  532   2HG1  ILE  85          HG11      ILE  85   2.639  -6.812  -1.707
  533   1HG2  ILE  85          HG22      ILE  85   4.974  -6.839  -4.523
  534   2HG2  ILE  85          HG21      ILE  85   3.527  -7.537  -5.251
  535   3HG2  ILE  85          HG23      ILE  85   3.994  -5.879  -5.631
  536   1HD1  ILE  85          HD12      ILE  85   1.327  -7.899  -3.748
  537   2HD1  ILE  85          HD11      ILE  85   2.654  -9.059  -3.682
  538   3HD1  ILE  85          HD13      ILE  85   1.625  -8.815  -2.271
  539    H    GLY  86           HN       GLY  86   1.871  -3.438  -3.901
  540   1HA   GLY  86           HA2      GLY  86   2.913  -2.441  -6.328
  541   2HA   GLY  86           HA1      GLY  86   1.646  -1.646  -5.393
  542    H    THR  87           HN       THR  87   2.997  -0.945  -3.068
  543    HA   THR  87           HA       THR  87   4.341   1.433  -3.830
  544    HB   THR  87           HB       THR  87   4.738  -0.106  -1.245
  545    HG1  THR  87           HG1      THR  87   2.537   0.270  -1.715
  546   1HG2  THR  87          HG23      THR  87   6.304   1.787  -1.685
  547   2HG2  THR  87          HG22      THR  87   4.913   2.857  -1.856
  548   3HG2  THR  87          HG21      THR  87   5.245   2.084  -0.306
  549    H    ILE  88           HN       ILE  88   5.691  -1.712  -2.790
  550    HA   ILE  88           HA       ILE  88   8.436  -1.014  -3.030
  551    HB   ILE  88           HB       ILE  88   7.096  -3.684  -3.572
  552   1HG1  ILE  88          HG12      ILE  88   8.319  -2.459  -1.079
  553   2HG1  ILE  88          HG11      ILE  88   6.622  -2.871  -1.324
  554   1HG2  ILE  88          HG23      ILE  88   9.699  -2.937  -4.147
  555   2HG2  ILE  88          HG22      ILE  88   9.841  -3.643  -2.536
  556   3HG2  ILE  88          HG21      ILE  88   9.154  -4.589  -3.856
  557   1HD1  ILE  88          HD11      ILE  88   8.824  -4.934  -1.514
  558   2HD1  ILE  88          HD13      ILE  88   8.011  -4.562   0.006
  559   3HD1  ILE  88          HD12      ILE  88   7.090  -5.209  -1.353
  560    H    LEU  89           HN       LEU  89   6.186  -2.380  -5.427
  561    HA   LEU  89           HA       LEU  89   7.996  -2.555  -7.593
  562   1HB   LEU  89           HB2      LEU  89   6.148  -3.388  -8.577
  563   2HB   LEU  89           HB1      LEU  89   5.207  -2.899  -7.174
  564    HG   LEU  89           HG       LEU  89   4.978  -0.613  -8.241
  565   1HD1  LEU  89          HD12      LEU  89   6.981  -1.507  -9.900
  566   2HD1  LEU  89          HD11      LEU  89   5.550  -1.725 -10.908
  567   3HD1  LEU  89          HD13      LEU  89   5.930  -0.134 -10.250
  568   1HD2  LEU  89          HD23      LEU  89   3.215  -2.378  -8.362
  569   2HD2  LEU  89          HD22      LEU  89   3.221  -1.329  -9.781
  570   3HD2  LEU  89          HD21      LEU  89   3.926  -2.943  -9.874
  571    H    LEU  90           HN       LEU  90   5.905   0.161  -6.593
  572    HA   LEU  90           HA       LEU  90   6.603   1.950  -8.686
  573   1HB   LEU  90           HB2      LEU  90   4.900   2.202  -6.673
  574   2HB   LEU  90           HB1      LEU  90   6.270   2.987  -5.887
  575    HG   LEU  90           HG       LEU  90   4.923   3.776  -8.480
  576   1HD1  LEU  90          HD12      LEU  90   5.025   4.784  -5.699
  577   2HD1  LEU  90          HD11      LEU  90   5.209   6.015  -6.947
  578   3HD1  LEU  90          HD13      LEU  90   3.775   4.988  -6.926
  579   1HD2  LEU  90          HD21      LEU  90   7.608   4.550  -7.331
  580   2HD2  LEU  90          HD23      LEU  90   7.223   4.047  -8.976
  581   3HD2  LEU  90          HD22      LEU  90   6.722   5.636  -8.400
  582    H    ILE  91           HN       ILE  91   8.175   1.458  -5.505
  583    HA   ILE  91           HA       ILE  91  10.220   3.403  -5.828
  584    HB   ILE  91           HB       ILE  91  10.418   0.711  -4.437
  585   1HG1  ILE  91          HG12      ILE  91   9.692   3.421  -3.287
  586   2HG1  ILE  91          HG11      ILE  91   8.502   2.193  -3.721
  587   1HG2  ILE  91          HG21      ILE  91  12.200   3.057  -4.683
  588   2HG2  ILE  91          HG23      ILE  91  11.963   2.476  -3.034
  589   3HG2  ILE  91          HG22      ILE  91  12.589   1.387  -4.272
  590   1HD1  ILE  91          HD11      ILE  91  10.569   0.977  -2.136
  591   2HD1  ILE  91          HD13      ILE  91   9.962   2.404  -1.296
  592   3HD1  ILE  91          HD12      ILE  91   8.849   1.121  -1.775
  593    H    SER  92           HN       SER  92  10.201  -0.058  -6.762
  594    HA   SER  92           HA       SER  92  12.821  -0.115  -7.852
  595   1HB   SER  92           HB2      SER  92  10.416  -1.583  -8.970
  596   2HB   SER  92           HB1      SER  92  12.106  -2.060  -9.096
  597    HG   SER  92           HG       SER  92  11.536  -3.170  -7.368
  598    H    TYR  93           HN       TYR  93   9.701   0.685  -9.411
  599    HA   TYR  93           HA       TYR  93  10.736   1.262 -11.994
  600   1HB   TYR  93           HB2      TYR  93   8.248   1.428 -10.751
  601   2HB   TYR  93           HB1      TYR  93   8.621   3.103 -11.158
  602    HD1  TYR  93           HD2      TYR  93  10.148   2.944 -13.607
  603    HD2  TYR  93           HD1      TYR  93   6.776   0.590 -12.366
  604    HE1  TYR  93           HE2      TYR  93   9.587   2.495 -15.980
  605    HE2  TYR  93           HE1      TYR  93   6.216   0.141 -14.740
  606    HH   TYR  93           HH       TYR  93   6.598   1.049 -16.920
  607    H    GLY  94           HN       GLY  94  10.269   3.413  -9.172
  608   1HA   GLY  94           HA2      GLY  94  11.265   5.790 -10.347
  609   2HA   GLY  94           HA1      GLY  94  11.329   5.429  -8.620
  610    H    ILE  95           HN       ILE  95  12.987   3.229  -8.546
  611    HA   ILE  95           HA       ILE  95  15.579   4.381  -8.687
  612    HB   ILE  95           HB       ILE  95  14.582   1.543  -8.490
  613   1HG1  ILE  95          HG12      ILE  95  16.506   2.407  -6.524
  614   2HG1  ILE  95          HG11      ILE  95  15.251   3.634  -6.689
  615   1HG2  ILE  95          HG21      ILE  95  16.629   1.455  -9.884
  616   2HG2  ILE  95          HG23      ILE  95  17.494   2.382  -8.657
  617   3HG2  ILE  95          HG22      ILE  95  16.905   0.761  -8.287
  618   1HD1  ILE  95          HD13      ILE  95  13.657   1.503  -6.648
  619   2HD1  ILE  95          HD12      ILE  95  15.019   0.793  -5.785
  620   3HD1  ILE  95          HD11      ILE  95  14.230   2.237  -5.151
  621    H    ARG  96           HN       ARG  96  13.949   2.169 -10.982
  622    HA   ARG  96           HA       ARG  96  16.060   1.987 -12.873
  623   1HB   ARG  96           HB2      ARG  96  13.097   2.096 -13.517
  624   2HB   ARG  96           HB1      ARG  96  14.365   1.333 -14.478
  625   1HG   ARG  96           HG2      ARG  96  14.642   0.205 -11.931
  626   2HG   ARG  96           HG1      ARG  96  12.899   0.271 -12.199
  627   1HD   ARG  96           HD2      ARG  96  14.382  -0.606 -14.569
  628   2HD   ARG  96           HD1      ARG  96  14.600  -1.680 -13.187
  629    HE   ARG  96           HE       ARG  96  11.864  -1.245 -13.261
  630   1HH1  ARG  96          HH11      ARG  96  11.557  -0.942 -16.024
  631   2HH1  ARG  96          HH12      ARG  96  11.677  -2.534 -16.696
  632   1HH2  ARG  96          HH21      ARG  96  13.196  -3.893 -13.892
  633   2HH2  ARG  96          HH22      ARG  96  12.606  -4.204 -15.490
  634    H    ARG  97           HN       ARG  97  13.386   4.336 -12.655
  635    HA   ARG  97           HA       ARG  97  14.070   5.871 -14.931
  636   1HB   ARG  97           HB2      ARG  97  11.967   6.270 -13.812
  637   2HB   ARG  97           HB1      ARG  97  12.791   6.695 -12.310
  638   1HG   ARG  97           HG2      ARG  97  13.851   8.340 -14.393
  639   2HG   ARG  97           HG1      ARG  97  12.090   8.417 -14.480
  640   1HD   ARG  97           HD2      ARG  97  12.005   8.935 -12.059
  641   2HD   ARG  97           HD1      ARG  97  13.767   8.896 -11.997
  642    HE   ARG  97           HE       ARG  97  12.446  11.211 -12.573
  643   1HH1  ARG  97          HH11      ARG  97  12.173  10.619 -15.406
  644   2HH1  ARG  97          HH12      ARG  97  13.678  11.141 -16.084
  645   1HH2  ARG  97          HH21      ARG  97  15.332  11.212 -13.038
  646   2HH2  ARG  97          HH22      ARG  97  15.466  11.477 -14.745
  647    H    LEU  98           HN       LEU  98  15.147   6.233 -11.549
  648    HA   LEU  98           HA       LEU  98  16.758   8.530 -11.908
  649   1HB   LEU  98           HB2      LEU  98  16.649   6.284  -9.970
  650   2HB   LEU  98           HB1      LEU  98  18.181   7.154 -10.049
  651    HG   LEU  98           HG       LEU  98  15.643   8.739  -9.948
  652   1HD1  LEU  98          HD11      LEU  98  15.517   6.956  -8.160
  653   2HD1  LEU  98          HD13      LEU  98  17.007   7.615  -7.486
  654   3HD1  LEU  98          HD12      LEU  98  15.550   8.607  -7.538
  655   1HD2  LEU  98          HD22      LEU  98  18.501   9.056  -8.995
  656   2HD2  LEU  98          HD21      LEU  98  17.663   9.993 -10.232
  657   3HD2  LEU  98          HD23      LEU  98  17.218  10.177  -8.535
  658    H    ILE  99           HN       ILE  99  17.639   5.079 -12.256
  659    HA   ILE  99           HA       ILE  99  20.328   5.737 -13.165
  660    HB   ILE  99           HB       ILE  99  20.431   3.285 -13.666
  661   1HG1  ILE  99          HG12      ILE  99  17.649   3.141 -12.495
  662   2HG1  ILE  99          HG11      ILE  99  17.906   3.255 -14.234
  663   1HG2  ILE  99          HG22      ILE  99  20.902   4.199 -11.386
  664   2HG2  ILE  99          HG21      ILE  99  19.210   3.932 -10.964
  665   3HG2  ILE  99          HG23      ILE  99  20.252   2.560 -11.340
  666   1HD1  ILE  99          HD11      ILE  99  19.698   1.281 -13.432
  667   2HD1  ILE  99          HD13      ILE  99  18.260   0.961 -12.463
  668   3HD1  ILE  99          HD12      ILE  99  18.145   1.009 -14.222
  669    H    LYS 100           HN       LYS 100  19.461   3.391 -15.277
  670    HA   LYS 100           HA       LYS 100  19.321   3.474 -17.627
  671   1HB   LYS 100           HB2      LYS 100  16.932   3.712 -16.708
  672   2HB   LYS 100           HB1      LYS 100  17.085   5.431 -17.074
  673   1HG   LYS 100           HG2      LYS 100  16.399   4.901 -19.162
  674   2HG   LYS 100           HG1      LYS 100  18.004   4.204 -19.389
  675   1HD   LYS 100           HD2      LYS 100  17.206   2.022 -18.644
  676   2HD   LYS 100           HD1      LYS 100  15.617   2.696 -18.283
  677   1HE   LYS 100           HE2      LYS 100  15.692   3.460 -20.803
  678   2HE   LYS 100           HE1      LYS 100  16.889   2.172 -20.951
  679   1HZ   LYS 100           HZ2      LYS 100  14.452   1.521 -19.501
  680   2HZ   LYS 100           HZ1      LYS 100  14.286   1.758 -21.175
  681   3HZ   LYS 100           HZ3      LYS 100  15.356   0.580 -20.589
  682    H    LYS 101           HN       LYS 101  21.427   4.886 -17.310
  683    HA   LYS 101           HA       LYS 101  22.703   6.658 -18.178
  684   1HB   LYS 101           HB2      LYS 101  20.219   6.679 -19.822
  685   2HB   LYS 101           HB1      LYS 101  21.222   8.128 -19.876
  686   1HG   LYS 101           HG2      LYS 101  23.206   6.578 -20.303
  687   2HG   LYS 101           HG1      LYS 101  22.023   5.297 -20.570
  688   1HD   LYS 101           HD2      LYS 101  20.915   6.888 -22.252
  689   2HD   LYS 101           HD1      LYS 101  22.392   7.847 -22.146
  690   1HE   LYS 101           HE2      LYS 101  22.469   4.887 -22.730
  691   2HE   LYS 101           HE1      LYS 101  22.283   6.079 -24.016
  692   1HZ   LYS 101           HZ1      LYS 101  24.318   7.118 -22.644
  693   2HZ   LYS 101           HZ3      LYS 101  24.596   5.465 -22.379
  694   3HZ   LYS 101           HZ2      LYS 101  24.514   6.067 -23.965
   
  No H/Q in entry =         694
  Start of MODEL   13
    1   1H    VAL  62           HT1      VAL  62 -22.630 -10.271  18.455
    2   2H    VAL  62           HT3      VAL  62 -21.272  -9.406  17.922
    3   3H    VAL  62           HT2      VAL  62 -21.648  -9.456  19.578
    4    HA   VAL  62           HA       VAL  62 -23.515  -8.089  19.331
    5    HB   VAL  62           HB       VAL  62 -21.231  -7.168  17.566
    6   1HG1  VAL  62          HG13      VAL  62 -23.746  -5.771  18.473
    7   2HG1  VAL  62          HG12      VAL  62 -22.273  -4.861  18.140
    8   3HG1  VAL  62          HG11      VAL  62 -23.029  -5.811  16.862
    9   1HG2  VAL  62          HG21      VAL  62 -22.032  -6.653  20.445
   10   2HG2  VAL  62          HG23      VAL  62 -20.586  -7.487  19.878
   11   3HG2  VAL  62          HG22      VAL  62 -20.769  -5.754  19.607
   12    H    GLN  63           HN       GLN  63 -22.197  -8.851  16.093
   13    HA   GLN  63           HA       GLN  63 -24.968  -8.496  15.024
   14   1HB   GLN  63           HB2      GLN  63 -23.913  -8.062  12.845
   15   2HB   GLN  63           HB1      GLN  63 -23.281  -6.951  14.062
   16   1HG   GLN  63           HG2      GLN  63 -21.239  -7.637  13.349
   17   2HG   GLN  63           HG1      GLN  63 -21.565  -9.088  14.299
   18   1HE2  GLN  63          HE22      GLN  63 -21.281 -11.026  11.376
   19   2HE2  GLN  63          HE21      GLN  63 -20.842 -10.801  13.000
   20    H    LEU  64           HN       LEU  64 -25.953 -10.381  14.501
   21    HA   LEU  64           HA       LEU  64 -24.220 -12.724  13.823
   22   1HB   LEU  64           HB2      LEU  64 -26.914 -12.548  15.183
   23   2HB   LEU  64           HB1      LEU  64 -26.297 -14.059  14.514
   24    HG   LEU  64           HG       LEU  64 -24.379 -12.583  16.207
   25   1HD1  LEU  64          HD13      LEU  64 -27.057 -12.894  17.124
   26   2HD1  LEU  64          HD12      LEU  64 -26.069 -14.079  17.977
   27   3HD1  LEU  64          HD11      LEU  64 -25.651 -12.367  18.050
   28   1HD2  LEU  64          HD22      LEU  64 -24.282 -14.973  15.154
   29   2HD2  LEU  64          HD21      LEU  64 -23.716 -14.758  16.811
   30   3HD2  LEU  64          HD23      LEU  64 -25.318 -15.431  16.507
   31    H    ALA  65           HN       ALA  65 -25.737 -14.383  12.495
   32    HA   ALA  65           HA       ALA  65 -26.859 -14.800  10.475
   33   1HB   ALA  65           HB2      ALA  65 -28.322 -12.763  11.721
   34   2HB   ALA  65           HB1      ALA  65 -28.044 -12.171  10.083
   35   3HB   ALA  65           HB3      ALA  65 -28.839 -13.725  10.336
   36    H    HIS  66           HN       HIS  66 -24.266 -13.056  10.806
   37    HA   HIS  66           HA       HIS  66 -24.268 -12.007   8.005
   38   1HB   HIS  66           HB2      HIS  66 -23.403 -10.833  10.485
   39   2HB   HIS  66           HB1      HIS  66 -22.011 -11.027   9.418
   40    HD1  HIS  66           HD1      HIS  66 -25.270  -9.215   9.737
   41    HD2  HIS  66           HD2      HIS  66 -22.155  -9.528   6.983
   42    HE1  HIS  66           HE1      HIS  66 -25.612  -7.352   8.056
   43    H    HIS  67           HN       HIS  67 -21.958 -12.091   7.036
   44    HA   HIS  67           HA       HIS  67 -20.121 -14.092   8.010
   45   1HB   HIS  67           HB2      HIS  67 -22.357 -14.985   6.376
   46   2HB   HIS  67           HB1      HIS  67 -20.814 -15.331   5.596
   47    HD1  HIS  67           HD1      HIS  67 -21.683 -17.888   6.266
   48    HD2  HIS  67           HD2      HIS  67 -20.314 -15.452   9.361
   49    HE1  HIS  67           HE1      HIS  67 -21.146 -19.426   8.204
   50    H    PHE  68           HN       PHE  68 -21.010 -13.674   4.606
   51    HA   PHE  68           HA       PHE  68 -18.309 -12.725   4.014
   52   1HB   PHE  68           HB2      PHE  68 -20.764 -13.011   2.254
   53   2HB   PHE  68           HB1      PHE  68 -19.148 -12.612   1.670
   54    HD1  PHE  68           HD2      PHE  68 -17.243 -14.264   2.663
   55    HD2  PHE  68           HD1      PHE  68 -21.390 -15.246   2.131
   56    HE1  PHE  68           HE2      PHE  68 -16.664 -16.674   2.605
   57    HE2  PHE  68           HE1      PHE  68 -20.811 -17.657   2.073
   58    HZ   PHE  68           HZ       PHE  68 -18.448 -18.372   2.310
   59    H    SER  69           HN       SER  69 -17.870 -10.643   2.974
   60    HA   SER  69           HA       SER  69 -19.775  -8.536   3.895
   61   1HB   SER  69           HB2      SER  69 -17.198  -8.703   4.566
   62   2HB   SER  69           HB1      SER  69 -16.991  -7.885   3.020
   63    HG   SER  69           HG       SER  69 -18.199  -6.205   3.746
   64    H    GLU  70           HN       GLU  70 -21.117  -8.130   2.169
   65    HA   GLU  70           HA       GLU  70 -20.680  -8.479  -0.538
   66   1HB   GLU  70           HB2      GLU  70 -22.412  -6.744   1.079
   67   2HB   GLU  70           HB1      GLU  70 -22.067  -6.092  -0.524
   68   1HG   GLU  70           HG2      GLU  70 -22.585  -8.920  -0.726
   69   2HG   GLU  70           HG1      GLU  70 -23.909  -8.135   0.135
   70    HA   PRO  71           HA       PRO  71 -18.723  -4.056  -0.847
   71   1HB   PRO  71           HB2      PRO  71 -17.728  -3.332   1.746
   72   2HB   PRO  71           HB1      PRO  71 -18.986  -2.520   0.803
   73   1HG   PRO  71           HG2      PRO  71 -19.322  -4.104   3.188
   74   2HG   PRO  71           HG1      PRO  71 -20.575  -3.293   2.239
   75   1HD   PRO  71           HD2      PRO  71 -20.016  -6.121   2.393
   76   2HD   PRO  71           HD1      PRO  71 -21.292  -5.308   1.468
   77    H    GLU  72           HN       GLU  72 -17.526  -6.424  -1.270
   78    HA   GLU  72           HA       GLU  72 -15.166  -6.959   0.275
   79   1HB   GLU  72           HB2      GLU  72 -15.944  -7.660  -2.566
   80   2HB   GLU  72           HB1      GLU  72 -14.456  -8.228  -1.808
   81   1HG   GLU  72           HG2      GLU  72 -16.303  -8.837   0.119
   82   2HG   GLU  72           HG1      GLU  72 -17.243  -9.086  -1.353
   83    H    ILE  73           HN       ILE  73 -15.620  -5.230  -2.827
   84    HA   ILE  73           HA       ILE  73 -12.894  -4.515  -3.171
   85    HB   ILE  73           HB       ILE  73 -14.223  -4.215  -5.068
   86   1HG1  ILE  73          HG12      ILE  73 -12.761  -2.171  -4.311
   87   2HG1  ILE  73          HG11      ILE  73 -13.842  -2.005  -5.691
   88   1HG2  ILE  73          HG23      ILE  73 -16.195  -3.006  -3.150
   89   2HG2  ILE  73          HG22      ILE  73 -16.312  -2.642  -4.872
   90   3HG2  ILE  73          HG21      ILE  73 -16.428  -4.311  -4.314
   91   1HD1  ILE  73          HD12      ILE  73 -15.153  -1.420  -3.131
   92   2HD1  ILE  73          HD11      ILE  73 -13.804  -0.340  -3.478
   93   3HD1  ILE  73          HD13      ILE  73 -15.137  -0.479  -4.623
   94    H    THR  74           HN       THR  74 -15.529  -2.896  -1.405
   95    HA   THR  74           HA       THR  74 -14.104  -0.493  -0.807
   96    HB   THR  74           HB       THR  74 -15.683  -0.787   1.382
   97    HG1  THR  74           HG1      THR  74 -16.154  -2.957   0.454
   98   1HG2  THR  74          HG22      THR  74 -16.308   0.037  -1.446
   99   2HG2  THR  74          HG21      THR  74 -17.536   0.148  -0.184
  100   3HG2  THR  74          HG23      THR  74 -16.032   1.059  -0.035
  101    H    LEU  75           HN       LEU  75 -14.397  -3.556   1.004
  102    HA   LEU  75           HA       LEU  75 -12.638  -2.728   3.131
  103   1HB   LEU  75           HB2      LEU  75 -14.061  -5.154   2.400
  104   2HB   LEU  75           HB1      LEU  75 -12.412  -5.532   2.887
  105    HG   LEU  75           HG       LEU  75 -14.539  -4.090   4.478
  106   1HD1  LEU  75          HD13      LEU  75 -14.276  -6.641   4.458
  107   2HD1  LEU  75          HD12      LEU  75 -12.732  -6.382   5.269
  108   3HD1  LEU  75          HD11      LEU  75 -14.230  -5.864   6.040
  109   1HD2  LEU  75          HD21      LEU  75 -11.605  -3.800   4.562
  110   2HD2  LEU  75          HD23      LEU  75 -12.855  -2.770   5.256
  111   3HD2  LEU  75          HD22      LEU  75 -12.329  -4.216   6.116
  112    H    ILE  76           HN       ILE  76 -12.082  -4.652   0.170
  113    HA   ILE  76           HA       ILE  76  -9.335  -5.167   0.613
  114    HB   ILE  76           HB       ILE  76 -10.875  -4.687  -1.954
  115   1HG1  ILE  76          HG12      ILE  76  -9.833  -7.175  -0.569
  116   2HG1  ILE  76          HG11      ILE  76 -11.524  -6.695  -0.722
  117   1HG2  ILE  76          HG23      ILE  76  -8.035  -4.726  -1.532
  118   2HG2  ILE  76          HG22      ILE  76  -8.498  -6.187  -2.406
  119   3HG2  ILE  76          HG21      ILE  76  -8.915  -4.601  -3.056
  120   1HD1  ILE  76          HD11      ILE  76 -11.177  -6.740  -3.246
  121   2HD1  ILE  76          HD13      ILE  76  -9.633  -7.532  -2.930
  122   3HD1  ILE  76          HD12      ILE  76 -11.140  -8.311  -2.445
  123    H    ILE  77           HN       ILE  77 -10.883  -2.381  -1.037
  124    HA   ILE  77           HA       ILE  77  -8.476  -1.005  -1.641
  125    HB   ILE  77           HB       ILE  77 -11.286  -0.049  -1.079
  126   1HG1  ILE  77          HG12      ILE  77  -9.570  -0.044  -3.583
  127   2HG1  ILE  77          HG11      ILE  77 -10.761  -1.285  -3.193
  128   1HG2  ILE  77          HG22      ILE  77  -8.847   1.598  -1.818
  129   2HG2  ILE  77          HG21      ILE  77 -10.508   2.175  -1.951
  130   3HG2  ILE  77          HG23      ILE  77  -9.840   1.771  -0.370
  131   1HD1  ILE  77          HD12      ILE  77 -12.235   1.000  -2.859
  132   2HD1  ILE  77          HD11      ILE  77 -11.167   1.464  -4.183
  133   3HD1  ILE  77          HD13      ILE  77 -12.203   0.046  -4.343
  134    H    PHE  78           HN       PHE  78 -10.552  -0.775   1.283
  135    HA   PHE  78           HA       PHE  78  -8.972   1.157   2.642
  136   1HB   PHE  78           HB2      PHE  78 -10.819  -1.030   3.567
  137   2HB   PHE  78           HB1      PHE  78  -9.881  -0.118   4.747
  138    HD1  PHE  78           HD1      PHE  78 -11.165   1.210   1.527
  139    HD2  PHE  78           HD2      PHE  78 -11.650   1.117   5.794
  140    HE1  PHE  78           HE1      PHE  78 -12.791   3.077   1.383
  141    HE2  PHE  78           HE2      PHE  78 -13.277   2.983   5.650
  142    HZ   PHE  78           HZ       PHE  78 -13.848   3.963   3.444
  143    H    GLY  79           HN       GLY  79  -8.781  -2.417   2.761
  144   1HA   GLY  79           HA2      GLY  79  -6.571  -2.583   4.537
  145   2HA   GLY  79           HA1      GLY  79  -6.972  -3.803   3.325
  146    H    VAL  80           HN       VAL  80  -6.676  -2.419   0.993
  147    HA   VAL  80           HA       VAL  80  -3.900  -2.544   0.491
  148    HB   VAL  80           HB       VAL  80  -5.986  -0.956  -1.033
  149   1HG1  VAL  80          HG13      VAL  80  -3.155  -1.679  -1.495
  150   2HG1  VAL  80          HG12      VAL  80  -4.233  -1.950  -2.863
  151   3HG1  VAL  80          HG11      VAL  80  -4.094  -0.341  -2.153
  152   1HG2  VAL  80          HG21      VAL  80  -6.144  -3.611  -0.462
  153   2HG2  VAL  80          HG23      VAL  80  -6.724  -2.914  -1.975
  154   3HG2  VAL  80          HG22      VAL  80  -5.131  -3.667  -1.903
  155    H    MET  81           HN       MET  81  -5.956   0.334   1.051
  156    HA   MET  81           HA       MET  81  -3.917   2.285   0.771
  157   1HB   MET  81           HB2      MET  81  -6.227   2.368   2.736
  158   2HB   MET  81           HB1      MET  81  -5.355   3.751   2.075
  159   1HG   MET  81           HG2      MET  81  -6.294   2.092  -0.084
  160   2HG   MET  81           HG1      MET  81  -7.640   2.480   0.986
  161   1HE   MET  81           HE2      MET  81  -8.606   4.269   1.442
  162   2HE   MET  81           HE1      MET  81  -7.577   5.629   1.886
  163   3HE   MET  81           HE3      MET  81  -8.660   5.751   0.491
  164    H    ALA  82           HN       ALA  82  -5.001   0.523   3.677
  165    HA   ALA  82           HA       ALA  82  -3.191   1.710   5.503
  166   1HB   ALA  82           HB1      ALA  82  -4.922  -0.646   5.469
  167   2HB   ALA  82           HB3      ALA  82  -3.435  -0.926   6.381
  168   3HB   ALA  82           HB2      ALA  82  -4.494   0.415   6.808
  169    H    GLY  83           HN       GLY  83  -2.750  -1.202   3.442
  170   1HA   GLY  83           HA2      GLY  83  -0.164  -1.890   4.360
  171   2HA   GLY  83           HA1      GLY  83  -0.768  -2.230   2.739
  172    H    VAL  84           HN       VAL  84  -1.099   0.313   1.690
  173    HA   VAL  84           HA       VAL  84   1.526   0.992   0.870
  174    HB   VAL  84           HB       VAL  84  -1.014   2.645   0.897
  175   1HG1  VAL  84          HG11      VAL  84   1.713   3.439   0.374
  176   2HG1  VAL  84          HG13      VAL  84   0.768   3.532  -1.114
  177   3HG1  VAL  84          HG12      VAL  84   0.247   4.419   0.319
  178   1HG2  VAL  84          HG22      VAL  84   0.183   0.596  -0.856
  179   2HG2  VAL  84          HG21      VAL  84  -1.495   1.123  -0.725
  180   3HG2  VAL  84          HG23      VAL  84  -0.355   2.045  -1.704
  181    H    ILE  85           HN       ILE  85  -0.536   2.579   3.339
  182    HA   ILE  85           HA       ILE  85   1.315   4.594   4.088
  183    HB   ILE  85           HB       ILE  85  -0.756   3.117   5.735
  184   1HG1  ILE  85          HG12      ILE  85  -0.912   5.969   4.809
  185   2HG1  ILE  85          HG11      ILE  85  -1.274   4.677   3.665
  186   1HG2  ILE  85          HG22      ILE  85   1.199   5.259   6.428
  187   2HG2  ILE  85          HG21      ILE  85  -0.447   5.451   7.032
  188   3HG2  ILE  85          HG23      ILE  85   0.486   4.014   7.454
  189   1HD1  ILE  85          HD11      ILE  85  -2.569   4.915   6.393
  190   2HD1  ILE  85          HD13      ILE  85  -3.291   5.534   4.907
  191   3HD1  ILE  85          HD12      ILE  85  -3.013   3.803   5.099
  192    H    GLY  86           HN       GLY  86   0.907   1.291   5.396
  193   1HA   GLY  86           HA2      GLY  86   2.932   1.408   7.364
  194   2HA   GLY  86           HA1      GLY  86   2.419  -0.071   6.554
  195    H    THR  87           HN       THR  87   3.184   0.414   3.932
  196    HA   THR  87           HA       THR  87   5.939  -0.239   3.960
  197    HB   THR  87           HB       THR  87   4.394   1.064   1.697
  198    HG1  THR  87           HG1      THR  87   3.388  -0.816   2.440
  199   1HG2  THR  87          HG21      THR  87   6.961   0.905   1.597
  200   2HG2  THR  87          HG23      THR  87   6.730  -0.842   1.514
  201   3HG2  THR  87          HG22      THR  87   6.067   0.197   0.252
  202    H    ILE  88           HN       ILE  88   4.366   2.910   3.305
  203    HA   ILE  88           HA       ILE  88   6.741   4.396   2.846
  204    HB   ILE  88           HB       ILE  88   4.095   5.208   4.079
  205   1HG1  ILE  88          HG12      ILE  88   5.263   5.850   1.359
  206   2HG1  ILE  88          HG11      ILE  88   4.247   4.439   1.649
  207   1HG2  ILE  88          HG23      ILE  88   6.623   6.641   3.935
  208   2HG2  ILE  88          HG22      ILE  88   5.364   7.470   3.020
  209   3HG2  ILE  88          HG21      ILE  88   5.120   7.110   4.729
  210   1HD1  ILE  88          HD12      ILE  88   3.151   6.955   2.724
  211   2HD1  ILE  88          HD11      ILE  88   3.294   6.919   0.966
  212   3HD1  ILE  88          HD13      ILE  88   2.352   5.683   1.800
  213    H    LEU  89           HN       LEU  89   4.995   3.749   5.886
  214    HA   LEU  89           HA       LEU  89   6.716   5.185   7.615
  215   1HB   LEU  89           HB2      LEU  89   5.114   4.480   9.036
  216   2HB   LEU  89           HB1      LEU  89   4.542   3.312   7.853
  217    HG   LEU  89           HG       LEU  89   6.349   1.742   8.638
  218   1HD1  LEU  89          HD12      LEU  89   7.521   3.898   9.727
  219   2HD1  LEU  89          HD11      LEU  89   6.604   3.355  11.133
  220   3HD1  LEU  89          HD13      LEU  89   7.770   2.273  10.370
  221   1HD2  LEU  89          HD21      LEU  89   4.130   2.737  10.402
  222   2HD2  LEU  89          HD23      LEU  89   4.262   1.205   9.541
  223   3HD2  LEU  89          HD22      LEU  89   5.209   1.479  11.003
  224    H    LEU  90           HN       LEU  90   6.888   1.778   6.545
  225    HA   LEU  90           HA       LEU  90   9.191   1.040   8.033
  226   1HB   LEU  90           HB2      LEU  90   7.780  -0.546   6.706
  227   2HB   LEU  90           HB1      LEU  90   8.488   0.112   5.229
  228    HG   LEU  90           HG       LEU  90  10.286  -0.878   7.426
  229   1HD1  LEU  90          HD11      LEU  90   8.529  -2.641   6.847
  230   2HD1  LEU  90          HD13      LEU  90   9.213  -2.651   5.222
  231   3HD1  LEU  90          HD12      LEU  90  10.208  -3.120   6.601
  232   1HD2  LEU  90          HD23      LEU  90  10.611   0.211   4.836
  233   2HD2  LEU  90          HD22      LEU  90  11.864  -0.478   5.868
  234   3HD2  LEU  90          HD21      LEU  90  11.023  -1.497   4.700
  235    H    ILE  91           HN       ILE  91   8.985   2.468   4.755
  236    HA   ILE  91           HA       ILE  91  11.779   2.547   4.244
  237    HB   ILE  91           HB       ILE  91   9.635   4.524   3.395
  238   1HG1  ILE  91          HG12      ILE  91  10.825   2.180   1.884
  239   2HG1  ILE  91          HG11      ILE  91   9.299   2.095   2.765
  240   1HG2  ILE  91          HG23      ILE  91  12.535   4.258   2.812
  241   2HG2  ILE  91          HG22      ILE  91  11.491   4.542   1.420
  242   3HG2  ILE  91          HG21      ILE  91  11.503   5.687   2.760
  243   1HD1  ILE  91          HD11      ILE  91   8.470   4.027   1.392
  244   2HD1  ILE  91          HD13      ILE  91   9.950   3.926   0.439
  245   3HD1  ILE  91          HD12      ILE  91   8.808   2.582   0.440
  246    H    SER  92           HN       SER  92   9.682   4.977   5.831
  247    HA   SER  92           HA       SER  92  11.727   6.879   6.340
  248   1HB   SER  92           HB2      SER  92  10.053   6.922   8.593
  249   2HB   SER  92           HB1      SER  92   9.877   7.899   7.139
  250    HG   SER  92           HG       SER  92   8.019   6.817   7.176
  251    H    TYR  93           HN       TYR  93  10.607   4.116   8.318
  252    HA   TYR  93           HA       TYR  93  12.433   4.449  10.467
  253   1HB   TYR  93           HB2      TYR  93  10.563   2.829  10.517
  254   2HB   TYR  93           HB1      TYR  93  11.378   1.856   9.292
  255    HD1  TYR  93           HD2      TYR  93  11.474   3.007  12.801
  256    HD2  TYR  93           HD1      TYR  93  13.346   0.536   9.828
  257    HE1  TYR  93           HE2      TYR  93  12.792   1.875  14.571
  258    HE2  TYR  93           HE1      TYR  93  14.665  -0.595  11.597
  259    HH   TYR  93           HH       TYR  93  13.977  -0.186  14.946
  260    H    GLY  94           HN       GLY  94  12.795   2.573   7.437
  261   1HA   GLY  94           HA2      GLY  94  15.408   1.593   7.925
  262   2HA   GLY  94           HA1      GLY  94  14.740   1.888   6.318
  263    H    ILE  95           HN       ILE  95  14.349   4.609   6.344
  264    HA   ILE  95           HA       ILE  95  16.936   5.634   5.764
  265    HB   ILE  95           HB       ILE  95  14.254   6.908   6.262
  266   1HG1  ILE  95          HG12      ILE  95  15.853   7.622   3.906
  267   2HG1  ILE  95          HG11      ILE  95  15.561   5.889   4.040
  268   1HG2  ILE  95          HG22      ILE  95  16.909   8.348   6.030
  269   2HG2  ILE  95          HG21      ILE  95  15.364   9.119   5.665
  270   3HG2  ILE  95          HG23      ILE  95  15.694   8.528   7.294
  271   1HD1  ILE  95          HD12      ILE  95  13.408   8.016   4.214
  272   2HD1  ILE  95          HD11      ILE  95  13.763   7.064   2.772
  273   3HD1  ILE  95          HD13      ILE  95  13.155   6.271   4.227
  274    H    ARG  96           HN       ARG  96  14.935   6.036   8.700
  275    HA   ARG  96           HA       ARG  96  16.729   7.685  10.148
  276   1HB   ARG  96           HB2      ARG  96  14.379   7.056  10.847
  277   2HB   ARG  96           HB1      ARG  96  15.016   5.487  11.343
  278   1HG   ARG  96           HG2      ARG  96  16.347   6.430  13.045
  279   2HG   ARG  96           HG1      ARG  96  16.250   8.047  12.349
  280   1HD   ARG  96           HD2      ARG  96  14.797   7.929  14.308
  281   2HD   ARG  96           HD1      ARG  96  13.806   8.078  12.857
  282    HE   ARG  96           HE       ARG  96  13.986   5.344  13.242
  283   1HH1  ARG  96          HH11      ARG  96  14.225   6.689  16.119
  284   2HH1  ARG  96          HH12      ARG  96  12.604   6.421  16.670
  285   1HH2  ARG  96          HH21      ARG  96  11.394   5.580  13.531
  286   2HH2  ARG  96          HH22      ARG  96  11.002   5.794  15.205
  287    H    ARG  97           HN       ARG  97  16.525   4.122  10.029
  288    HA   ARG  97           HA       ARG  97  18.651   3.581  11.817
  289   1HB   ARG  97           HB2      ARG  97  17.188   1.800  11.022
  290   2HB   ARG  97           HB1      ARG  97  17.754   2.035   9.367
  291   1HG   ARG  97           HG2      ARG  97  19.760   0.988   9.757
  292   2HG   ARG  97           HG1      ARG  97  19.839   1.537  11.432
  293   1HD   ARG  97           HD2      ARG  97  17.609  -0.307  10.865
  294   2HD   ARG  97           HD1      ARG  97  19.210  -1.022  10.676
  295    HE   ARG  97           HE       ARG  97  19.367   0.296  13.104
  296   1HH1  ARG  97          HH21      ARG  97  16.756   0.053  13.983
  297   2HH1  ARG  97          HH22      ARG  97  16.544  -1.599  14.461
  298   1HH2  ARG  97          HH11      ARG  97  19.318  -2.735  12.717
  299   2HH2  ARG  97          HH12      ARG  97  17.995  -3.178  13.744
  300    H    LEU  98           HN       LEU  98  18.752   4.039   8.272
  301    HA   LEU  98           HA       LEU  98  21.529   3.608   7.947
  302   1HB   LEU  98           HB2      LEU  98  20.826   3.907   5.824
  303   2HB   LEU  98           HB1      LEU  98  19.335   4.657   6.381
  304    HG   LEU  98           HG       LEU  98  20.620   6.816   6.640
  305   1HD1  LEU  98          HD11      LEU  98  22.835   5.253   6.460
  306   2HD1  LEU  98          HD13      LEU  98  22.706   5.806   4.790
  307   3HD1  LEU  98          HD12      LEU  98  22.837   6.979   6.101
  308   1HD2  LEU  98          HD23      LEU  98  19.720   5.479   4.245
  309   2HD2  LEU  98          HD22      LEU  98  19.639   7.195   4.645
  310   3HD2  LEU  98          HD21      LEU  98  21.075   6.539   3.857
  311    H    ILE  99           HN       ILE  99  19.767   6.632   8.656
  312    HA   ILE  99           HA       ILE  99  22.188   8.214   8.883
  313    HB   ILE  99           HB       ILE  99  20.663   9.898   9.919
  314   1HG1  ILE  99          HG12      ILE  99  18.569   7.731   9.560
  315   2HG1  ILE  99          HG11      ILE  99  19.247   8.214  11.113
  316   1HG2  ILE  99          HG23      ILE  99  20.537   8.778   7.295
  317   2HG2  ILE  99          HG22      ILE  99  18.896   9.213   7.773
  318   3HG2  ILE  99          HG21      ILE  99  20.171  10.432   7.788
  319   1HD1  ILE  99          HD11      ILE  99  18.528  10.639  10.251
  320   2HD1  ILE  99          HD13      ILE  99  17.364   9.691   9.325
  321   3HD1  ILE  99          HD12      ILE  99  17.388   9.582  11.085
  322    H    LYS 100           HN       LYS 100  20.499   6.038  10.956
  323    HA   LYS 100           HA       LYS 100  22.033   7.044  13.315
  324   1HB   LYS 100           HB2      LYS 100  19.478   6.853  13.420
  325   2HB   LYS 100           HB1      LYS 100  19.713   5.105  13.376
  326   1HG   LYS 100           HG2      LYS 100  20.050   5.154  15.601
  327   2HG   LYS 100           HG1      LYS 100  21.530   6.067  15.305
  328   1HD   LYS 100           HD2      LYS 100  20.548   8.092  15.801
  329   2HD   LYS 100           HD1      LYS 100  18.956   7.575  15.243
  330   1HE   LYS 100           HE2      LYS 100  19.227   7.870  17.775
  331   2HE   LYS 100           HE1      LYS 100  18.547   6.335  17.237
  332   1HZ   LYS 100           HZ3      LYS 100  21.448   6.691  17.688
  333   2HZ   LYS 100           HZ2      LYS 100  20.395   6.237  18.941
  334   3HZ   LYS 100           HZ1      LYS 100  20.570   5.243  17.574
  335    H    LYS 101           HN       LYS 101  23.979   5.934  12.600
  336    HA   LYS 101           HA       LYS 101  25.457   4.108  12.601
  337   1HB   LYS 101           HB2      LYS 101  24.500   3.845  14.911
  338   2HB   LYS 101           HB1      LYS 101  23.290   2.753  14.235
  339   1HG   LYS 101           HG2      LYS 101  25.365   1.501  13.234
  340   2HG   LYS 101           HG1      LYS 101  26.259   2.356  14.490
  341   1HD   LYS 101           HD2      LYS 101  23.946   1.350  15.752
  342   2HD   LYS 101           HD1      LYS 101  24.554   0.036  14.743
  343   1HE   LYS 101           HE2      LYS 101  25.603  -0.046  16.962
  344   2HE   LYS 101           HE1      LYS 101  26.808   0.337  15.732
  345   1HZ   LYS 101           HZ3      LYS 101  25.593   2.706  16.680
  346   2HZ   LYS 101           HZ2      LYS 101  26.185   1.806  17.993
  347   3HZ   LYS 101           HZ1      LYS 101  27.227   2.254  16.728
  348   1H    VAL  62           HT1      VAL  62 -12.021  -6.701  14.051
  349   2H    VAL  62           HT3      VAL  62 -12.348  -7.243  12.478
  350   3H    VAL  62           HT2      VAL  62 -11.028  -7.878  13.337
  351    HA   VAL  62           HA       VAL  62 -10.197  -6.327  11.740
  352    HB   VAL  62           HB       VAL  62 -10.968  -4.039  11.665
  353   1HG1  VAL  62          HG13      VAL  62 -12.482  -6.183  10.885
  354   2HG1  VAL  62          HG12      VAL  62 -13.629  -5.298  11.892
  355   3HG1  VAL  62          HG11      VAL  62 -12.873  -4.505  10.510
  356   1HG2  VAL  62          HG21      VAL  62 -12.647  -4.832  14.063
  357   2HG2  VAL  62          HG23      VAL  62 -11.349  -3.638  14.025
  358   3HG2  VAL  62          HG22      VAL  62 -12.860  -3.325  13.171
  359    H    GLN  63           HN       GLN  63  -9.834  -7.253  14.627
  360    HA   GLN  63           HA       GLN  63  -7.851  -5.144  15.339
  361   1HB   GLN  63           HB2      GLN  63  -8.473  -5.658  17.786
  362   2HB   GLN  63           HB1      GLN  63  -9.605  -4.665  16.868
  363   1HG   GLN  63           HG2      GLN  63 -11.236  -6.196  17.112
  364   2HG   GLN  63           HG1      GLN  63 -10.193  -7.471  16.480
  365   1HE2  GLN  63          HE22      GLN  63  -8.974  -8.357  19.799
  366   2HE2  GLN  63          HE21      GLN  63  -8.395  -8.146  18.218
  367    H    LEU  64           HN       LEU  64  -5.882  -6.099  15.449
  368    HA   LEU  64           HA       LEU  64  -5.346  -8.831  15.205
  369   1HB   LEU  64           HB2      LEU  64  -3.844  -6.466  15.789
  370   2HB   LEU  64           HB1      LEU  64  -3.339  -7.734  16.908
  371    HG   LEU  64           HG       LEU  64  -3.324  -9.239  14.752
  372   1HD1  LEU  64          HD12      LEU  64  -3.569  -6.462  13.717
  373   2HD1  LEU  64          HD11      LEU  64  -2.378  -7.491  12.920
  374   3HD1  LEU  64          HD13      LEU  64  -4.070  -7.985  12.982
  375   1HD2  LEU  64          HD21      LEU  64  -1.296  -7.188  15.622
  376   2HD2  LEU  64          HD23      LEU  64  -1.271  -8.936  15.854
  377   3HD2  LEU  64          HD22      LEU  64  -0.951  -8.255  14.260
  378    H    ALA  65           HN       ALA  65  -6.225 -10.386  16.540
  379    HA   ALA  65           HA       ALA  65  -5.961  -9.925  19.482
  380   1HB   ALA  65           HB2      ALA  65  -8.335 -10.216  18.082
  381   2HB   ALA  65           HB1      ALA  65  -8.028 -11.845  18.685
  382   3HB   ALA  65           HB3      ALA  65  -8.130 -10.493  19.812
  383    H    HIS  66           HN       HIS  66  -4.256 -11.347  17.377
  384    HA   HIS  66           HA       HIS  66  -3.129 -13.402  17.137
  385   1HB   HIS  66           HB2      HIS  66  -2.819 -12.446  19.688
  386   2HB   HIS  66           HB1      HIS  66  -3.444 -14.066  19.994
  387    HD1  HIS  66           HD1      HIS  66  -1.052 -14.792  20.850
  388    HD2  HIS  66           HD2      HIS  66  -1.192 -13.662  16.840
  389    HE1  HIS  66           HE1      HIS  66   1.112 -15.592  19.803
  390    H    HIS  67           HN       HIS  67  -5.308 -14.096  16.094
  391    HA   HIS  67           HA       HIS  67  -6.093 -16.645  17.368
  392   1HB   HIS  67           HB2      HIS  67  -7.696 -14.401  17.715
  393   2HB   HIS  67           HB1      HIS  67  -8.436 -15.222  16.340
  394    HD1  HIS  67           HD1      HIS  67 -10.399 -15.665  18.200
  395    HD2  HIS  67           HD2      HIS  67  -6.835 -17.765  18.712
  396    HE1  HIS  67           HE1      HIS  67 -10.917 -17.579  19.775
  397    H    PHE  68           HN       PHE  68  -8.162 -17.315  15.628
  398    HA   PHE  68           HA       PHE  68  -6.741 -18.089  13.275
  399   1HB   PHE  68           HB2      PHE  68  -9.169 -18.499  12.403
  400   2HB   PHE  68           HB1      PHE  68  -8.595 -19.443  13.777
  401    HD1  PHE  68           HD1      PHE  68 -10.178 -16.094  13.133
  402    HD2  PHE  68           HD2      PHE  68 -10.016 -19.602  15.608
  403    HE1  PHE  68           HE1      PHE  68 -12.026 -15.199  14.524
  404    HE2  PHE  68           HE2      PHE  68 -11.864 -18.705  16.999
  405    HZ   PHE  68           HZ       PHE  68 -12.869 -16.505  16.457
  406    H    SER  69           HN       SER  69  -8.199 -17.503  11.059
  407    HA   SER  69           HA       SER  69  -8.246 -14.514  10.960
  408   1HB   SER  69           HB2      SER  69  -6.968 -16.468   9.043
  409   2HB   SER  69           HB1      SER  69  -7.389 -14.830   8.555
  410    HG   SER  69           HG       SER  69  -6.055 -14.054  10.205
  411    H    GLU  70           HN       GLU  70 -10.432 -14.151  10.780
  412    HA   GLU  70           HA       GLU  70 -12.278 -15.899   9.454
  413   1HB   GLU  70           HB2      GLU  70 -12.363 -13.364  10.831
  414   2HB   GLU  70           HB1      GLU  70 -13.317 -13.270   9.350
  415   1HG   GLU  70           HG2      GLU  70 -14.850 -14.106  10.932
  416   2HG   GLU  70           HG1      GLU  70 -14.298 -15.556  10.093
  417    HA   PRO  71           HA       PRO  71 -12.114 -14.858   5.215
  418   1HB   PRO  71           HB2      PRO  71 -14.754 -13.770   4.886
  419   2HB   PRO  71           HB1      PRO  71 -14.198 -15.405   4.505
  420   1HG   PRO  71           HG2      PRO  71 -15.916 -14.597   6.673
  421   2HG   PRO  71           HG1      PRO  71 -15.338 -16.226   6.300
  422   1HD   PRO  71           HD2      PRO  71 -14.507 -14.503   8.466
  423   2HD   PRO  71           HD1      PRO  71 -13.957 -16.152   8.108
  424    H    GLU  72           HN       GLU  72 -14.054 -12.296   6.827
  425    HA   GLU  72           HA       GLU  72 -13.488 -10.172   5.110
  426   1HB   GLU  72           HB2      GLU  72 -13.669  -8.703   7.184
  427   2HB   GLU  72           HB1      GLU  72 -15.021  -9.801   6.909
  428   1HG   GLU  72           HG2      GLU  72 -13.561 -11.435   8.408
  429   2HG   GLU  72           HG1      GLU  72 -12.877  -9.918   8.994
  430    H    ILE  73           HN       ILE  73 -11.545 -10.987   8.037
  431    HA   ILE  73           HA       ILE  73  -9.499  -9.107   7.540
  432    HB   ILE  73           HB       ILE  73  -9.928 -10.690   9.599
  433   1HG1  ILE  73          HG12      ILE  73  -7.110 -10.593   9.546
  434   2HG1  ILE  73          HG11      ILE  73  -7.670  -9.224   8.585
  435   1HG2  ILE  73          HG23      ILE  73  -9.229 -12.656   7.874
  436   2HG2  ILE  73          HG22      ILE  73  -7.645 -12.272   8.542
  437   3HG2  ILE  73          HG21      ILE  73  -8.960 -12.765   9.610
  438   1HD1  ILE  73          HD11      ILE  73  -9.363  -8.900  10.577
  439   2HD1  ILE  73          HD13      ILE  73  -8.170  -9.833  11.480
  440   3HD1  ILE  73          HD12      ILE  73  -7.708  -8.306  10.726
  441    H    THR  74           HN       THR  74 -10.023 -12.324   6.198
  442    HA   THR  74           HA       THR  74  -7.450 -12.671   5.008
  443    HB   THR  74           HB       THR  74 -10.086 -13.626   3.859
  444    HG1  THR  74           HG1      THR  74  -9.340 -15.534   5.217
  445   1HG2  THR  74          HG21      THR  74  -7.819 -13.864   2.625
  446   2HG2  THR  74          HG23      THR  74  -7.432 -15.050   3.870
  447   3HG2  THR  74          HG22      THR  74  -8.816 -15.307   2.808
  448    H    LEU  75           HN       LEU  75 -10.457 -11.237   3.720
  449    HA   LEU  75           HA       LEU  75  -9.300 -10.516   1.180
  450   1HB   LEU  75           HB2      LEU  75 -11.700 -10.649   1.362
  451   2HB   LEU  75           HB1      LEU  75 -11.720  -9.497   2.695
  452    HG   LEU  75           HG       LEU  75 -10.641  -8.740  -0.022
  453   1HD1  LEU  75          HD13      LEU  75 -13.471  -8.966   0.935
  454   2HD1  LEU  75          HD12      LEU  75 -13.040  -7.595  -0.090
  455   3HD1  LEU  75          HD11      LEU  75 -12.810  -9.243  -0.676
  456   1HD2  LEU  75          HD22      LEU  75 -11.217  -7.419   2.555
  457   2HD2  LEU  75          HD21      LEU  75 -10.119  -6.929   1.265
  458   3HD2  LEU  75          HD23      LEU  75 -11.838  -6.551   1.150
  459    H    ILE  76           HN       ILE  76  -9.848  -8.646   4.187
  460    HA   ILE  76           HA       ILE  76  -8.770  -6.201   3.231
  461    HB   ILE  76           HB       ILE  76  -8.840  -7.450   5.986
  462   1HG1  ILE  76          HG12      ILE  76 -10.239  -5.025   4.830
  463   2HG1  ILE  76          HG11      ILE  76 -10.946  -6.641   4.870
  464   1HG2  ILE  76          HG23      ILE  76  -7.305  -5.129   5.027
  465   2HG2  ILE  76          HG22      ILE  76  -8.381  -4.754   6.373
  466   3HG2  ILE  76          HG21      ILE  76  -7.164  -6.019   6.543
  467   1HD1  ILE  76          HD13      ILE  76 -10.006  -6.227   7.472
  468   2HD1  ILE  76          HD12      ILE  76 -10.718  -4.681   7.010
  469   3HD1  ILE  76          HD11      ILE  76 -11.687  -6.152   6.945
  470    H    ILE  77           HN       ILE  77  -7.147  -8.945   4.844
  471    HA   ILE  77           HA       ILE  77  -4.524  -7.870   4.805
  472    HB   ILE  77           HB       ILE  77  -5.708 -10.607   4.955
  473   1HG1  ILE  77          HG12      ILE  77  -4.175 -10.641   6.961
  474   2HG1  ILE  77          HG11      ILE  77  -3.714  -8.987   6.560
  475   1HG2  ILE  77          HG23      ILE  77  -2.760 -10.112   4.426
  476   2HG2  ILE  77          HG22      ILE  77  -3.463 -11.654   4.913
  477   3HG2  ILE  77          HG21      ILE  77  -3.873 -10.953   3.347
  478   1HD1  ILE  77          HD11      ILE  77  -6.285  -8.531   6.551
  479   2HD1  ILE  77          HD13      ILE  77  -6.384 -10.029   7.476
  480   3HD1  ILE  77          HD12      ILE  77  -5.453  -8.668   8.100
  481    H    PHE  78           HN       PHE  78  -6.187  -9.882   2.337
  482    HA   PHE  78           HA       PHE  78  -4.018 -10.002   0.509
  483   1HB   PHE  78           HB2      PHE  78  -6.967 -10.307   0.305
  484   2HB   PHE  78           HB1      PHE  78  -6.128  -9.915  -1.195
  485    HD1  PHE  78           HD2      PHE  78  -4.309 -11.389  -2.044
  486    HD2  PHE  78           HD1      PHE  78  -6.685 -12.448   1.375
  487    HE1  PHE  78           HE2      PHE  78  -3.538 -13.738  -2.235
  488    HE2  PHE  78           HE1      PHE  78  -5.913 -14.796   1.184
  489    HZ   PHE  78           HZ       PHE  78  -4.340 -15.441  -0.621
  490    H    GLY  79           HN       GLY  79  -6.659  -7.583   0.716
  491   1HA   GLY  79           HA2      GLY  79  -5.773  -5.953  -1.439
  492   2HA   GLY  79           HA1      GLY  79  -6.697  -5.359  -0.056
  493    H    VAL  80           HN       VAL  80  -4.985  -5.820   2.026
  494    HA   VAL  80           HA       VAL  80  -3.230  -3.602   1.951
  495    HB   VAL  80           HB       VAL  80  -3.040  -6.059   3.719
  496   1HG1  VAL  80          HG13      VAL  80  -1.359  -3.815   3.495
  497   2HG1  VAL  80          HG12      VAL  80  -2.363  -3.503   4.911
  498   3HG1  VAL  80          HG11      VAL  80  -1.398  -4.977   4.820
  499   1HG2  VAL  80          HG23      VAL  80  -5.237  -4.485   3.450
  500   2HG2  VAL  80          HG22      VAL  80  -4.766  -5.224   4.980
  501   3HG2  VAL  80          HG21      VAL  80  -4.337  -3.549   4.642
  502    H    MET  81           HN       MET  81  -2.497  -7.081   1.554
  503    HA   MET  81           HA       MET  81   0.305  -6.824   1.213
  504   1HB   MET  81           HB2      MET  81  -1.605  -8.786  -0.097
  505   2HB   MET  81           HB1      MET  81   0.149  -8.962  -0.053
  506   1HG   MET  81           HG2      MET  81  -1.492  -8.631   2.463
  507   2HG   MET  81           HG1      MET  81  -1.164 -10.215   1.759
  508   1HE   MET  81           HE3      MET  81  -0.433  -7.804   4.108
  509   2HE   MET  81           HE2      MET  81  -0.102  -9.375   4.834
  510   3HE   MET  81           HE1      MET  81   1.173  -8.161   4.761
  511    H    ALA  82           HN       ALA  82  -2.306  -6.715  -1.216
  512    HA   ALA  82           HA       ALA  82  -0.660  -6.327  -3.486
  513   1HB   ALA  82           HB2      ALA  82  -3.495  -6.048  -2.860
  514   2HB   ALA  82           HB1      ALA  82  -2.954  -4.804  -3.991
  515   3HB   ALA  82           HB3      ALA  82  -2.722  -6.509  -4.374
  516    H    GLY  83           HN       GLY  83  -2.077  -3.869  -1.267
  517   1HA   GLY  83           HA2      GLY  83  -1.103  -1.588  -2.631
  518   2HA   GLY  83           HA1      GLY  83  -1.392  -1.659  -0.892
  519    H    VAL  84           HN       VAL  84   0.472  -3.533  -0.063
  520    HA   VAL  84           HA       VAL  84   2.860  -2.012   0.098
  521    HB   VAL  84           HB       VAL  84   2.781  -5.029   0.291
  522   1HG1  VAL  84          HG13      VAL  84   4.606  -2.861   1.061
  523   2HG1  VAL  84          HG12      VAL  84   4.251  -3.977   2.379
  524   3HG1  VAL  84          HG11      VAL  84   4.927  -4.585   0.867
  525   1HG2  VAL  84          HG23      VAL  84   1.367  -2.991   1.885
  526   2HG2  VAL  84          HG22      VAL  84   1.089  -4.730   1.783
  527   3HG2  VAL  84          HG21      VAL  84   2.350  -4.099   2.843
  528    H    ILE  85           HN       ILE  85   2.093  -4.803  -2.012
  529    HA   ILE  85           HA       ILE  85   4.577  -4.921  -3.365
  530    HB   ILE  85           HB       ILE  85   1.790  -5.515  -4.402
  531   1HG1  ILE  85          HG12      ILE  85   3.941  -7.406  -3.409
  532   2HG1  ILE  85          HG11      ILE  85   2.656  -6.783  -2.372
  533   1HG2  ILE  85          HG22      ILE  85   4.510  -5.755  -5.595
  534   2HG2  ILE  85          HG21      ILE  85   3.411  -7.112  -5.840
  535   3HG2  ILE  85          HG23      ILE  85   2.955  -5.498  -6.386
  536   1HD1  ILE  85          HD13      ILE  85   1.531  -7.763  -4.844
  537   2HD1  ILE  85          HD12      ILE  85   2.524  -9.015  -4.098
  538   3HD1  ILE  85          HD11      ILE  85   1.197  -8.286  -3.193
  539    H    GLY  86           HN       GLY  86   1.641  -3.044  -4.193
  540   1HA   GLY  86           HA2      GLY  86   2.624  -1.861  -6.567
  541   2HA   GLY  86           HA1      GLY  86   1.419  -1.118  -5.512
  542    H    THR  87           HN       THR  87   2.861  -0.699  -3.192
  543    HA   THR  87           HA       THR  87   4.272   1.696  -3.741
  544    HB   THR  87           HB       THR  87   4.575  -0.140  -1.344
  545    HG1  THR  87           HG1      THR  87   2.444   0.532  -1.676
  546   1HG2  THR  87          HG22      THR  87   5.224   2.792  -1.762
  547   2HG2  THR  87          HG21      THR  87   5.250   1.977  -0.199
  548   3HG2  THR  87          HG23      THR  87   6.381   1.495  -1.464
  549    H    ILE  88           HN       ILE  88   5.521  -1.586  -3.078
  550    HA   ILE  88           HA       ILE  88   8.283  -0.977  -3.270
  551    HB   ILE  88           HB       ILE  88   6.841  -3.505  -4.132
  552   1HG1  ILE  88          HG12      ILE  88   8.104  -2.660  -1.503
  553   2HG1  ILE  88          HG11      ILE  88   6.390  -2.962  -1.796
  554   1HG2  ILE  88          HG21      ILE  88   9.647  -2.686  -4.155
  555   2HG2  ILE  88          HG23      ILE  88   9.382  -4.141  -3.194
  556   3HG2  ILE  88          HG22      ILE  88   8.887  -4.100  -4.886
  557   1HD1  ILE  88          HD11      ILE  88   8.569  -5.042  -2.140
  558   2HD1  ILE  88          HD13      ILE  88   7.555  -4.895  -0.705
  559   3HD1  ILE  88          HD12      ILE  88   6.830  -5.308  -2.258
  560    H    LEU  89           HN       LEU  89   5.979  -1.963  -5.811
  561    HA   LEU  89           HA       LEU  89   7.803  -1.955  -7.975
  562   1HB   LEU  89           HB2      LEU  89   5.911  -2.655  -8.983
  563   2HB   LEU  89           HB1      LEU  89   4.957  -2.130  -7.602
  564    HG   LEU  89           HG       LEU  89   4.947   0.190  -8.573
  565   1HD1  LEU  89          HD12      LEU  89   7.021  -0.672 -10.100
  566   2HD1  LEU  89          HD11      LEU  89   5.690  -0.889 -11.236
  567   3HD1  LEU  89          HD13      LEU  89   6.003   0.700 -10.538
  568   1HD2  LEU  89          HD21      LEU  89   3.433  -2.067  -9.276
  569   2HD2  LEU  89          HD23      LEU  89   2.979  -0.382  -9.524
  570   3HD2  LEU  89          HD22      LEU  89   3.795  -1.274 -10.809
  571    H    LEU  90           HN       LEU  90   5.803   0.709  -6.675
  572    HA   LEU  90           HA       LEU  90   6.617   2.708  -8.527
  573   1HB   LEU  90           HB2      LEU  90   5.498   2.701  -5.774
  574   2HB   LEU  90           HB1      LEU  90   6.371   4.160  -6.238
  575    HG   LEU  90           HG       LEU  90   4.172   2.901  -7.902
  576   1HD1  LEU  90          HD11      LEU  90   4.148   5.038  -5.782
  577   2HD1  LEU  90          HD13      LEU  90   2.991   5.097  -7.111
  578   3HD1  LEU  90          HD12      LEU  90   3.017   3.707  -6.027
  579   1HD2  LEU  90          HD21      LEU  90   5.809   5.437  -8.083
  580   2HD2  LEU  90          HD23      LEU  90   5.579   4.195  -9.315
  581   3HD2  LEU  90          HD22      LEU  90   4.254   5.280  -8.900
  582    H    ILE  91           HN       ILE  91   8.085   1.768  -5.404
  583    HA   ILE  91           HA       ILE  91  10.216   3.639  -5.437
  584    HB   ILE  91           HB       ILE  91  10.267   0.793  -4.386
  585   1HG1  ILE  91          HG12      ILE  91   9.469   3.406  -3.060
  586   2HG1  ILE  91          HG11      ILE  91   8.381   2.078  -3.469
  587   1HG2  ILE  91          HG22      ILE  91  12.126   3.093  -4.272
  588   2HG2  ILE  91          HG21      ILE  91  11.827   2.292  -2.729
  589   3HG2  ILE  91          HG23      ILE  91  12.455   1.370  -4.094
  590   1HD1  ILE  91          HD12      ILE  91  10.369   0.810  -2.025
  591   2HD1  ILE  91          HD11      ILE  91  10.206   2.356  -1.190
  592   3HD1  ILE  91          HD13      ILE  91   8.802   1.305  -1.384
  593    H    SER  92           HN       SER  92  10.101   0.316  -6.782
  594    HA   SER  92           HA       SER  92  12.756   0.292  -7.784
  595   1HB   SER  92           HB2      SER  92  11.966  -1.430  -9.348
  596   2HB   SER  92           HB1      SER  92  11.258  -1.696  -7.758
  597    HG   SER  92           HG       SER  92   9.521  -1.755  -9.019
  598    H    TYR  93           HN       TYR  93   9.723   1.362  -9.354
  599    HA   TYR  93           HA       TYR  93  10.884   2.194 -11.812
  600   1HB   TYR  93           HB2      TYR  93   8.377   2.671 -10.358
  601   2HB   TYR  93           HB1      TYR  93   8.870   4.037 -11.358
  602    HD1  TYR  93           HD1      TYR  93   9.922   0.629 -12.223
  603    HD2  TYR  93           HD2      TYR  93   6.995   3.695 -12.923
  604    HE1  TYR  93           HE1      TYR  93   9.150  -0.572 -14.249
  605    HE2  TYR  93           HE2      TYR  93   6.224   2.493 -14.952
  606    HH   TYR  93           HH       TYR  93   7.086  -0.709 -15.629
  607    H    GLY  94           HN       GLY  94  10.332   4.045  -8.800
  608   1HA   GLY  94           HA2      GLY  94  11.421   6.508  -9.678
  609   2HA   GLY  94           HA1      GLY  94  11.399   5.970  -7.997
  610    H    ILE  95           HN       ILE  95  13.010   3.744  -8.077
  611    HA   ILE  95           HA       ILE  95  15.627   4.852  -7.992
  612    HB   ILE  95           HB       ILE  95  14.527   2.061  -8.002
  613   1HG1  ILE  95          HG12      ILE  95  14.801   3.548  -5.949
  614   2HG1  ILE  95          HG11      ILE  95  15.583   1.970  -5.845
  615   1HG2  ILE  95          HG23      ILE  95  16.504   1.942  -9.507
  616   2HG2  ILE  95          HG22      ILE  95  17.486   2.689  -8.247
  617   3HG2  ILE  95          HG21      ILE  95  16.780   1.094  -7.985
  618   1HD1  ILE  95          HD11      ILE  95  17.105   4.347  -6.885
  619   2HD1  ILE  95          HD13      ILE  95  16.939   4.088  -5.149
  620   3HD1  ILE  95          HD12      ILE  95  17.725   2.868  -6.151
  621    H    ARG  96           HN       ARG  96  14.056   2.902 -10.546
  622    HA   ARG  96           HA       ARG  96  16.232   2.862 -12.365
  623   1HB   ARG  96           HB2      ARG  96  13.247   2.942 -12.890
  624   2HB   ARG  96           HB1      ARG  96  14.458   2.614 -14.130
  625   1HG   ARG  96           HG2      ARG  96  15.082   0.923 -11.950
  626   2HG   ARG  96           HG1      ARG  96  13.337   0.807 -12.182
  627   1HD   ARG  96           HD2      ARG  96  14.849   0.792 -14.700
  628   2HD   ARG  96           HD1      ARG  96  15.222  -0.575 -13.651
  629    HE   ARG  96           HE       ARG  96  12.450  -0.456 -13.639
  630   1HH1  ARG  96          HH11      ARG  96  14.597  -2.294 -15.152
  631   2HH1  ARG  96          HH12      ARG  96  13.789  -2.420 -16.679
  632   1HH2  ARG  96          HH21      ARG  96  11.529   0.119 -15.992
  633   2HH2  ARG  96          HH22      ARG  96  12.052  -1.054 -17.154
  634    H    ARG  97           HN       ARG  97  13.578   5.223 -12.034
  635    HA   ARG  97           HA       ARG  97  14.364   6.944 -14.139
  636   1HB   ARG  97           HB2      ARG  97  12.232   7.021 -12.678
  637   2HB   ARG  97           HB1      ARG  97  13.202   7.969 -11.551
  638   1HG   ARG  97           HG2      ARG  97  13.546   8.919 -14.274
  639   2HG   ARG  97           HG1      ARG  97  11.845   8.936 -13.806
  640   1HD   ARG  97           HD2      ARG  97  12.753  10.001 -11.585
  641   2HD   ARG  97           HD1      ARG  97  14.161  10.397 -12.571
  642    HE   ARG  97           HE       ARG  97  12.027  11.274 -14.099
  643   1HH1  ARG  97          HH21      ARG  97  10.300  11.937 -11.975
  644   2HH1  ARG  97          HH22      ARG  97  10.888  13.441 -11.347
  645   1HH2  ARG  97          HH11      ARG  97  14.015  13.134 -12.815
  646   2HH2  ARG  97          HH12      ARG  97  12.992  14.118 -11.823
  647    H    LEU  98           HN       LEU  98  15.299   7.028 -10.689
  648    HA   LEU  98           HA       LEU  98  16.946   9.329 -10.819
  649   1HB   LEU  98           HB2      LEU  98  17.058   6.847  -9.099
  650   2HB   LEU  98           HB1      LEU  98  18.215   8.163  -8.902
  651    HG   LEU  98           HG       LEU  98  15.217   8.583  -8.853
  652   1HD1  LEU  98          HD11      LEU  98  17.161   7.841  -6.688
  653   2HD1  LEU  98          HD13      LEU  98  15.804   8.901  -6.307
  654   3HD1  LEU  98          HD12      LEU  98  15.507   7.281  -6.938
  655   1HD2  LEU  98          HD21      LEU  98  17.504  10.310  -8.924
  656   2HD2  LEU  98          HD23      LEU  98  15.801  10.759  -8.814
  657   3HD2  LEU  98          HD22      LEU  98  16.735  10.474  -7.346
  658    H    ILE  99           HN       ILE  99  17.793   5.902 -11.341
  659    HA   ILE  99           HA       ILE  99  20.552   6.464 -12.003
  660    HB   ILE  99           HB       ILE  99  20.544   4.121 -12.866
  661   1HG1  ILE  99          HG12      ILE  99  17.603   4.218 -12.117
  662   2HG1  ILE  99          HG11      ILE  99  18.215   4.212 -13.771
  663   1HG2  ILE  99          HG21      ILE  99  19.181   4.595 -10.198
  664   2HG2  ILE  99          HG23      ILE  99  19.896   3.061 -10.691
  665   3HG2  ILE  99          HG22      ILE  99  20.918   4.484 -10.487
  666   1HD1  ILE  99          HD13      ILE  99  19.444   2.054 -13.159
  667   2HD1  ILE  99          HD12      ILE  99  18.461   2.028 -11.695
  668   3HD1  ILE  99          HD11      ILE  99  17.689   1.937 -13.278
  669    H    LYS 100           HN       LYS 100  17.570   6.121 -13.883
  670    HA   LYS 100           HA       LYS 100  19.139   6.888 -16.314
  671   1HB   LYS 100           HB2      LYS 100  17.552   4.643 -15.952
  672   2HB   LYS 100           HB1      LYS 100  16.479   5.760 -16.798
  673   1HG   LYS 100           HG2      LYS 100  17.764   4.417 -18.411
  674   2HG   LYS 100           HG1      LYS 100  18.221   6.118 -18.520
  675   1HD   LYS 100           HD2      LYS 100  20.249   5.759 -17.328
  676   2HD   LYS 100           HD1      LYS 100  19.731   4.165 -16.779
  677   1HE   LYS 100           HE2      LYS 100  21.220   3.687 -18.548
  678   2HE   LYS 100           HE1      LYS 100  19.628   3.553 -19.293
  679   1HZ   LYS 100           HZ3      LYS 100  20.409   6.224 -19.440
  680   2HZ   LYS 100           HZ2      LYS 100  21.730   5.291 -19.960
  681   3HZ   LYS 100           HZ1      LYS 100  20.219   5.123 -20.716
  682    H    LYS 101           HN       LYS 101  18.724   8.935 -16.959
  683    HA   LYS 101           HA       LYS 101  17.505  10.881 -17.476
  684   1HB   LYS 101           HB2      LYS 101  15.549   8.782 -17.458
  685   2HB   LYS 101           HB1      LYS 101  14.856  10.206 -16.683
  686   1HG   LYS 101           HG2      LYS 101  15.280  11.574 -18.591
  687   2HG   LYS 101           HG1      LYS 101  16.331  10.359 -19.318
  688   1HD   LYS 101           HD2      LYS 101  14.363   9.995 -20.502
  689   2HD   LYS 101           HD1      LYS 101  14.165   8.850 -19.175
  690   1HE   LYS 101           HE2      LYS 101  13.107  11.686 -19.083
  691   2HE   LYS 101           HE1      LYS 101  12.143  10.314 -19.629
  692   1HZ   LYS 101           HZ3      LYS 101  13.055   9.336 -17.359
  693   2HZ   LYS 101           HZ2      LYS 101  13.076  10.985 -16.951
  694   3HZ   LYS 101           HZ1      LYS 101  11.627  10.248 -17.445
   
  No H/Q in entry =         694
  Start of MODEL   14
    1   1H    VAL  62           HT3      VAL  62 -34.981  -8.295 -10.125
    2   2H    VAL  62           HT2      VAL  62 -33.652  -8.678 -11.112
    3   3H    VAL  62           HT1      VAL  62 -34.369  -9.876 -10.145
    4    HA   VAL  62           HA       VAL  62 -32.774  -9.431  -8.673
    5    HB   VAL  62           HB       VAL  62 -31.361  -7.433  -8.824
    6   1HG1  VAL  62          HG11      VAL  62 -31.785  -9.339 -10.906
    7   2HG1  VAL  62          HG13      VAL  62 -31.422  -7.788 -11.664
    8   3HG1  VAL  62          HG12      VAL  62 -30.295  -8.487 -10.501
    9   1HG2  VAL  62          HG23      VAL  62 -33.499  -6.050  -9.542
   10   2HG2  VAL  62          HG22      VAL  62 -31.898  -5.554 -10.094
   11   3HG2  VAL  62          HG21      VAL  62 -32.961  -6.461 -11.170
   12    H    GLN  63           HN       GLN  63 -32.346  -7.636  -6.848
   13    HA   GLN  63           HA       GLN  63 -34.597  -5.894  -6.261
   14   1HB   GLN  63           HB2      GLN  63 -35.235  -7.174  -4.155
   15   2HB   GLN  63           HB1      GLN  63 -35.737  -7.923  -5.671
   16   1HG   GLN  63           HG2      GLN  63 -33.704  -9.355  -5.609
   17   2HG   GLN  63           HG1      GLN  63 -33.280  -8.649  -4.049
   18   1HE2  GLN  63          HE22      GLN  63 -35.442 -10.766  -2.261
   19   2HE2  GLN  63          HE21      GLN  63 -34.162  -9.652  -2.226
   20    H    LEU  64           HN       LEU  64 -33.587  -4.232  -5.259
   21    HA   LEU  64           HA       LEU  64 -30.959  -4.394  -4.155
   22   1HB   LEU  64           HB2      LEU  64 -32.965  -2.369  -4.565
   23   2HB   LEU  64           HB1      LEU  64 -32.311  -2.218  -2.934
   24    HG   LEU  64           HG       LEU  64 -30.091  -2.737  -4.589
   25   1HD1  LEU  64          HD13      LEU  64 -32.147  -0.956  -5.864
   26   2HD1  LEU  64          HD12      LEU  64 -30.433  -0.593  -6.073
   27   3HD1  LEU  64          HD11      LEU  64 -31.080  -2.142  -6.618
   28   1HD2  LEU  64          HD22      LEU  64 -31.143  -0.139  -3.421
   29   2HD2  LEU  64          HD21      LEU  64 -30.126  -1.312  -2.583
   30   3HD2  LEU  64          HD23      LEU  64 -29.485  -0.412  -3.957
   31    H    ALA  65           HN       ALA  65 -34.030  -5.232  -2.850
   32    HA   ALA  65           HA       ALA  65 -33.608  -4.784  -0.078
   33   1HB   ALA  65           HB1      ALA  65 -35.117  -7.021  -1.463
   34   2HB   ALA  65           HB3      ALA  65 -35.243  -6.637   0.253
   35   3HB   ALA  65           HB2      ALA  65 -35.786  -5.470  -0.954
   36    H    HIS  66           HN       HIS  66 -32.008  -6.915  -2.227
   37    HA   HIS  66           HA       HIS  66 -30.997  -8.538   0.070
   38   1HB   HIS  66           HB2      HIS  66 -32.097  -9.566  -2.106
   39   2HB   HIS  66           HB1      HIS  66 -30.496  -9.283  -2.791
   40    HD1  HIS  66           HD1      HIS  66 -31.450 -10.460   0.710
   41    HD2  HIS  66           HD2      HIS  66 -29.265 -11.753  -2.596
   42    HE1  HIS  66           HE1      HIS  66 -30.340 -12.633   1.390
   43    H    HIS  67           HN       HIS  67 -29.195  -7.466   0.810
   44    HA   HIS  67           HA       HIS  67 -26.849  -7.358  -0.891
   45   1HB   HIS  67           HB2      HIS  67 -26.518  -4.979  -0.972
   46   2HB   HIS  67           HB1      HIS  67 -28.150  -5.282  -1.569
   47    HD1  HIS  67           HD1      HIS  67 -30.119  -4.950   0.258
   48    HD2  HIS  67           HD2      HIS  67 -26.415  -3.316   1.256
   49    HE1  HIS  67           HE1      HIS  67 -30.545  -3.306   2.137
   50    H    PHE  68           HN       PHE  68 -25.253  -7.917   0.505
   51    HA   PHE  68           HA       PHE  68 -25.111  -6.597   3.144
   52   1HB   PHE  68           HB2      PHE  68 -24.766  -8.871   4.243
   53   2HB   PHE  68           HB1      PHE  68 -26.420  -8.511   3.749
   54    HD1  PHE  68           HD2      PHE  68 -23.376 -10.444   2.941
   55    HD2  PHE  68           HD1      PHE  68 -27.477  -9.688   1.915
   56    HE1  PHE  68           HE2      PHE  68 -23.389 -12.465   1.503
   57    HE2  PHE  68           HE1      PHE  68 -27.491 -11.709   0.478
   58    HZ   PHE  68           HZ       PHE  68 -25.447 -13.098   0.271
   59    H    SER  69           HN       SER  69 -23.575  -7.100   0.455
   60    HA   SER  69           HA       SER  69 -20.965  -7.652   1.803
   61   1HB   SER  69           HB2      SER  69 -20.413  -8.455  -0.701
   62   2HB   SER  69           HB1      SER  69 -21.044  -9.558   0.519
   63    HG   SER  69           HG       SER  69 -22.329  -9.742  -1.281
   64    H    GLU  70           HN       GLU  70 -22.384  -5.117   1.154
   65    HA   GLU  70           HA       GLU  70 -20.986  -3.958  -1.126
   66   1HB   GLU  70           HB2      GLU  70 -23.199  -3.260   0.496
   67   2HB   GLU  70           HB1      GLU  70 -22.013  -1.968   0.680
   68   1HG   GLU  70           HG2      GLU  70 -23.452  -1.471  -1.229
   69   2HG   GLU  70           HG1      GLU  70 -21.824  -1.833  -1.803
   70    HA   PRO  71           HA       PRO  71 -18.671  -1.625   2.449
   71   1HB   PRO  71           HB2      PRO  71 -18.802  -3.316   4.782
   72   2HB   PRO  71           HB1      PRO  71 -19.391  -1.658   4.597
   73   1HG   PRO  71           HG2      PRO  71 -20.968  -4.045   4.788
   74   2HG   PRO  71           HG1      PRO  71 -21.545  -2.397   4.507
   75   1HD   PRO  71           HD2      PRO  71 -21.406  -4.594   2.626
   76   2HD   PRO  71           HD1      PRO  71 -22.077  -2.971   2.368
   77    H    GLU  72           HN       GLU  72 -18.682  -4.962   1.673
   78    HA   GLU  72           HA       GLU  72 -16.213  -5.805   2.821
   79   1HB   GLU  72           HB2      GLU  72 -16.263  -7.612   1.257
   80   2HB   GLU  72           HB1      GLU  72 -17.950  -7.252   1.625
   81   1HG   GLU  72           HG2      GLU  72 -18.023  -5.801  -0.421
   82   2HG   GLU  72           HG1      GLU  72 -16.395  -6.353  -0.816
   83    H    ILE  73           HN       ILE  73 -16.889  -4.317  -0.363
   84    HA   ILE  73           HA       ILE  73 -14.178  -4.261  -1.238
   85    HB   ILE  73           HB       ILE  73 -16.279  -3.868  -2.626
   86   1HG1  ILE  73          HG12      ILE  73 -15.110  -1.960  -3.940
   87   2HG1  ILE  73          HG11      ILE  73 -13.849  -2.097  -2.714
   88   1HG2  ILE  73          HG23      ILE  73 -17.255  -2.189  -1.043
   89   2HG2  ILE  73          HG22      ILE  73 -15.980  -1.064  -1.509
   90   3HG2  ILE  73          HG21      ILE  73 -17.163  -1.601  -2.703
   91   1HD1  ILE  73          HD13      ILE  73 -14.551  -4.733  -3.562
   92   2HD1  ILE  73          HD12      ILE  73 -14.255  -3.754  -5.001
   93   3HD1  ILE  73          HD11      ILE  73 -13.009  -3.900  -3.761
   94    H    THR  74           HN       THR  74 -16.168  -1.855   0.488
   95    HA   THR  74           HA       THR  74 -14.306   0.253   0.586
   96    HB   THR  74           HB       THR  74 -15.810  -0.253   3.090
   97    HG1  THR  74           HG1      THR  74 -17.677   0.529   1.573
   98   1HG2  THR  74          HG22      THR  74 -15.087   1.968   1.273
   99   2HG2  THR  74          HG21      THR  74 -16.669   2.107   2.041
  100   3HG2  THR  74          HG23      THR  74 -15.217   1.947   3.032
  101    H    LEU  75           HN       LEU  75 -14.646  -2.498   2.860
  102    HA   LEU  75           HA       LEU  75 -12.420  -1.661   4.500
  103   1HB   LEU  75           HB2      LEU  75 -14.353  -3.407   4.971
  104   2HB   LEU  75           HB1      LEU  75 -13.199  -4.549   4.281
  105    HG   LEU  75           HG       LEU  75 -12.822  -2.769   6.698
  106   1HD1  LEU  75          HD13      LEU  75 -13.455  -5.561   6.230
  107   2HD1  LEU  75          HD12      LEU  75 -11.957  -5.405   7.148
  108   3HD1  LEU  75          HD11      LEU  75 -13.441  -4.665   7.748
  109   1HD2  LEU  75          HD23      LEU  75 -10.802  -4.241   5.001
  110   2HD2  LEU  75          HD22      LEU  75 -10.749  -2.569   5.561
  111   3HD2  LEU  75          HD21      LEU  75 -10.496  -3.889   6.702
  112    H    ILE  76           HN       ILE  76 -12.679  -4.100   1.878
  113    HA   ILE  76           HA       ILE  76  -9.975  -4.951   1.986
  114    HB   ILE  76           HB       ILE  76 -11.723  -4.649  -0.481
  115   1HG1  ILE  76          HG12      ILE  76 -11.325  -7.116   1.217
  116   2HG1  ILE  76          HG11      ILE  76 -12.630  -5.973   1.536
  117   1HG2  ILE  76          HG21      ILE  76  -9.221  -5.060  -0.785
  118   2HG2  ILE  76          HG23      ILE  76  -9.468  -6.602   0.035
  119   3HG2  ILE  76          HG22      ILE  76 -10.287  -6.275  -1.492
  120   1HD1  ILE  76          HD12      ILE  76 -13.288  -6.237  -0.909
  121   2HD1  ILE  76          HD11      ILE  76 -12.160  -7.589  -0.968
  122   3HD1  ILE  76          HD13      ILE  76 -13.553  -7.654   0.108
  123    H    ILE  77           HN       ILE  77 -11.459  -2.302   0.099
  124    HA   ILE  77           HA       ILE  77  -9.065  -1.364  -1.116
  125    HB   ILE  77           HB       ILE  77 -11.705  -0.111  -0.403
  126   1HG1  ILE  77          HG12      ILE  77 -11.981   0.010  -2.759
  127   2HG1  ILE  77          HG11      ILE  77 -10.251  -0.164  -3.052
  128   1HG2  ILE  77          HG23      ILE  77  -9.166   1.331  -1.105
  129   2HG2  ILE  77          HG22      ILE  77 -10.698   1.932  -1.740
  130   3HG2  ILE  77          HG21      ILE  77 -10.452   1.812   0.003
  131   1HD1  ILE  77          HD13      ILE  77 -10.365  -2.481  -2.129
  132   2HD1  ILE  77          HD12      ILE  77 -12.110  -2.298  -1.964
  133   3HD1  ILE  77          HD11      ILE  77 -11.370  -2.273  -3.563
  134    H    PHE  78           HN       PHE  78 -10.611  -0.475   1.967
  135    HA   PHE  78           HA       PHE  78  -8.720   1.458   2.810
  136   1HB   PHE  78           HB2      PHE  78 -10.787  -0.190   4.110
  137   2HB   PHE  78           HB1      PHE  78  -9.442   0.230   5.169
  138    HD1  PHE  78           HD2      PHE  78  -8.798   2.633   5.479
  139    HD2  PHE  78           HD1      PHE  78 -12.358   1.465   3.382
  140    HE1  PHE  78           HE2      PHE  78  -9.697   4.932   5.723
  141    HE2  PHE  78           HE1      PHE  78 -13.257   3.763   3.624
  142    HZ   PHE  78           HZ       PHE  78 -11.926   5.497   4.795
  143    H    GLY  79           HN       GLY  79  -8.734  -2.081   3.404
  144   1HA   GLY  79           HA2      GLY  79  -6.361  -2.164   4.955
  145   2HA   GLY  79           HA1      GLY  79  -6.929  -3.496   3.945
  146    H    VAL  80           HN       VAL  80  -6.761  -2.419   1.405
  147    HA   VAL  80           HA       VAL  80  -4.010  -2.703   0.771
  148    HB   VAL  80           HB       VAL  80  -6.135  -1.241  -0.822
  149   1HG1  VAL  80          HG12      VAL  80  -3.497  -2.526  -1.589
  150   2HG1  VAL  80          HG11      VAL  80  -4.703  -1.969  -2.749
  151   3HG1  VAL  80          HG13      VAL  80  -3.903  -0.812  -1.684
  152   1HG2  VAL  80          HG23      VAL  80  -5.987  -3.961  -0.010
  153   2HG2  VAL  80          HG22      VAL  80  -7.084  -3.255  -1.195
  154   3HG2  VAL  80          HG21      VAL  80  -5.536  -3.918  -1.715
  155    H    MET  81           HN       MET  81  -5.980   0.256   1.093
  156    HA   MET  81           HA       MET  81  -3.923   2.130   0.537
  157   1HB   MET  81           HB2      MET  81  -6.362   2.285   2.325
  158   2HB   MET  81           HB1      MET  81  -5.306   3.668   2.035
  159   1HG   MET  81           HG2      MET  81  -5.758   3.618  -0.328
  160   2HG   MET  81           HG1      MET  81  -6.598   2.073  -0.191
  161   1HE   MET  81           HE3      MET  81  -6.147   5.326   1.292
  162   2HE   MET  81           HE2      MET  81  -7.624   6.233   0.976
  163   3HE   MET  81           HE1      MET  81  -7.459   5.327   2.478
  164    H    ALA  82           HN       ALA  82  -4.952   0.712   3.642
  165    HA   ALA  82           HA       ALA  82  -3.097   2.068   5.289
  166   1HB   ALA  82           HB2      ALA  82  -4.834  -0.277   5.546
  167   2HB   ALA  82           HB1      ALA  82  -3.343  -0.430   6.479
  168   3HB   ALA  82           HB3      ALA  82  -4.411   0.948   6.739
  169    H    GLY  83           HN       GLY  83  -2.704  -1.071   3.571
  170   1HA   GLY  83           HA2      GLY  83  -0.113  -1.656   4.549
  171   2HA   GLY  83           HA1      GLY  83  -0.727  -2.183   2.980
  172    H    VAL  84           HN       VAL  84  -1.070   0.214   1.643
  173    HA   VAL  84           HA       VAL  84   1.556   0.822   0.758
  174    HB   VAL  84           HB       VAL  84  -0.989   2.461   0.578
  175   1HG1  VAL  84          HG11      VAL  84   1.742   2.822  -0.666
  176   2HG1  VAL  84          HG13      VAL  84   0.288   3.498  -1.400
  177   3HG1  VAL  84          HG12      VAL  84   0.780   4.009   0.215
  178   1HG2  VAL  84          HG22      VAL  84  -0.371   0.042  -0.578
  179   2HG2  VAL  84          HG21      VAL  84  -1.494   1.218  -1.261
  180   3HG2  VAL  84          HG23      VAL  84   0.182   1.180  -1.808
  181    H    ILE  85           HN       ILE  85  -0.549   2.643   3.011
  182    HA   ILE  85           HA       ILE  85   1.231   4.780   3.531
  183    HB   ILE  85           HB       ILE  85  -0.790   3.440   5.350
  184   1HG1  ILE  85          HG12      ILE  85  -1.661   4.454   3.245
  185   2HG1  ILE  85          HG11      ILE  85  -2.221   5.311   4.681
  186   1HG2  ILE  85          HG23      ILE  85   0.814   5.988   5.646
  187   2HG2  ILE  85          HG22      ILE  85  -0.686   5.704   6.529
  188   3HG2  ILE  85          HG21      ILE  85   0.700   4.643   6.781
  189   1HD1  ILE  85          HD12      ILE  85  -0.115   6.807   4.316
  190   2HD1  ILE  85          HD11      ILE  85  -0.138   6.152   2.678
  191   3HD1  ILE  85          HD13      ILE  85  -1.523   7.062   3.283
  192    H    GLY  86           HN       GLY  86   0.926   1.648   5.247
  193   1HA   GLY  86           HA2      GLY  86   2.925   2.111   7.194
  194   2HA   GLY  86           HA1      GLY  86   2.485   0.516   6.587
  195    H    THR  87           HN       THR  87   3.238   0.677   3.936
  196    HA   THR  87           HA       THR  87   6.022   0.170   4.033
  197    HB   THR  87           HB       THR  87   4.344   1.019   1.654
  198    HG1  THR  87           HG1      THR  87   3.777  -0.921   2.919
  199   1HG2  THR  87          HG22      THR  87   7.135  -0.050   1.961
  200   2HG2  THR  87          HG21      THR  87   6.202  -0.442   0.517
  201   3HG2  THR  87          HG23      THR  87   6.550   1.241   0.912
  202    H    ILE  88           HN       ILE  88   4.289   3.108   2.953
  203    HA   ILE  88           HA       ILE  88   6.568   4.623   2.222
  204    HB   ILE  88           HB       ILE  88   3.913   5.490   3.394
  205   1HG1  ILE  88          HG12      ILE  88   5.032   5.571   0.573
  206   2HG1  ILE  88          HG11      ILE  88   3.879   4.377   1.168
  207   1HG2  ILE  88          HG23      ILE  88   6.272   7.080   2.395
  208   2HG2  ILE  88          HG22      ILE  88   4.635   7.728   2.298
  209   3HG2  ILE  88          HG21      ILE  88   5.329   7.317   3.866
  210   1HD1  ILE  88          HD11      ILE  88   3.319   7.337   1.347
  211   2HD1  ILE  88          HD13      ILE  88   2.912   6.405  -0.094
  212   3HD1  ILE  88          HD12      ILE  88   2.175   6.000   1.457
  213    H    LEU  89           HN       LEU  89   4.932   4.394   5.397
  214    HA   LEU  89           HA       LEU  89   6.647   6.184   6.771
  215   1HB   LEU  89           HB2      LEU  89   5.469   5.576   8.621
  216   2HB   LEU  89           HB1      LEU  89   4.454   4.710   7.477
  217    HG   LEU  89           HG       LEU  89   6.024   2.708   7.841
  218   1HD1  LEU  89          HD11      LEU  89   7.382   4.670   9.387
  219   2HD1  LEU  89          HD13      LEU  89   6.735   3.480  10.516
  220   3HD1  LEU  89          HD12      LEU  89   7.797   2.966   9.207
  221   1HD2  LEU  89          HD23      LEU  89   3.714   3.028   8.833
  222   2HD2  LEU  89          HD22      LEU  89   4.784   1.991   9.775
  223   3HD2  LEU  89          HD21      LEU  89   4.503   3.657  10.280
  224    H    LEU  90           HN       LEU  90   6.947   2.663   6.286
  225    HA   LEU  90           HA       LEU  90   9.348   2.283   7.752
  226   1HB   LEU  90           HB2      LEU  90   8.488   0.890   5.196
  227   2HB   LEU  90           HB1      LEU  90   9.669   0.284   6.358
  228    HG   LEU  90           HG       LEU  90   6.948   1.024   7.363
  229   1HD1  LEU  90          HD12      LEU  90   7.326  -0.831   5.236
  230   2HD1  LEU  90          HD11      LEU  90   7.011  -1.768   6.697
  231   3HD1  LEU  90          HD13      LEU  90   5.859  -0.542   6.172
  232   1HD2  LEU  90          HD23      LEU  90   8.991   0.225   8.738
  233   2HD2  LEU  90          HD22      LEU  90   7.448  -0.574   9.040
  234   3HD2  LEU  90          HD21      LEU  90   8.670  -1.363   8.042
  235    H    ILE  91           HN       ILE  91   8.900   3.125   4.302
  236    HA   ILE  91           HA       ILE  91  11.644   3.212   3.597
  237    HB   ILE  91           HB       ILE  91   9.366   4.944   2.587
  238   1HG1  ILE  91          HG12      ILE  91  10.555   2.456   1.339
  239   2HG1  ILE  91          HG11      ILE  91   9.163   2.397   2.422
  240   1HG2  ILE  91          HG23      ILE  91  12.227   4.634   1.809
  241   2HG2  ILE  91          HG22      ILE  91  11.048   4.736   0.501
  242   3HG2  ILE  91          HG21      ILE  91  11.171   6.042   1.679
  243   1HD1  ILE  91          HD11      ILE  91   8.207   4.261   0.832
  244   2HD1  ILE  91          HD13      ILE  91   9.380   3.614  -0.316
  245   3HD1  ILE  91          HD12      ILE  91   8.120   2.570   0.341
  246    H    SER  92           HN       SER  92   9.561   5.835   4.884
  247    HA   SER  92           HA       SER  92  11.568   7.843   4.882
  248   1HB   SER  92           HB2      SER  92   9.594   7.625   7.141
  249   2HB   SER  92           HB1      SER  92  10.157   9.065   6.297
  250    HG   SER  92           HG       SER  92   8.301   8.781   5.302
  251    H    TYR  93           HN       TYR  93  10.692   5.474   7.417
  252    HA   TYR  93           HA       TYR  93  12.667   6.252   9.302
  253   1HB   TYR  93           HB2      TYR  93  10.806   4.119   9.011
  254   2HB   TYR  93           HB1      TYR  93  12.383   3.396   9.334
  255    HD1  TYR  93           HD1      TYR  93  13.795   5.013  11.109
  256    HD2  TYR  93           HD2      TYR  93   9.540   4.459  10.937
  257    HE1  TYR  93           HE1      TYR  93  13.613   5.671  13.493
  258    HE2  TYR  93           HE2      TYR  93   9.358   5.114  13.322
  259    HH   TYR  93           HH       TYR  93  11.960   6.544  15.038
  260    H    GLY  94           HN       GLY  94  12.857   3.826   6.675
  261   1HA   GLY  94           HA2      GLY  94  15.513   2.977   7.145
  262   2HA   GLY  94           HA1      GLY  94  14.724   2.946   5.568
  263    H    ILE  95           HN       ILE  95  14.342   5.635   5.047
  264    HA   ILE  95           HA       ILE  95  16.904   6.438   4.115
  265    HB   ILE  95           HB       ILE  95  14.389   7.330   3.613
  266   1HG1  ILE  95          HG12      ILE  95  15.650   9.334   2.514
  267   2HG1  ILE  95          HG11      ILE  95  17.099   8.547   3.142
  268   1HG2  ILE  95          HG21      ILE  95  15.700   9.499   5.285
  269   2HG2  ILE  95          HG23      ILE  95  14.228   9.686   4.332
  270   3HG2  ILE  95          HG22      ILE  95  14.246   8.608   5.725
  271   1HD1  ILE  95          HD11      ILE  95  15.177   6.767   1.752
  272   2HD1  ILE  95          HD13      ILE  95  16.001   7.945   0.731
  273   3HD1  ILE  95          HD12      ILE  95  16.939   6.795   1.684
  274    H    ARG  96           HN       ARG  96  15.105   7.505   7.002
  275    HA   ARG  96           HA       ARG  96  17.003   9.369   7.972
  276   1HB   ARG  96           HB2      ARG  96  15.093   7.535   9.445
  277   2HB   ARG  96           HB1      ARG  96  16.033   8.798  10.242
  278   1HG   ARG  96           HG2      ARG  96  14.785  10.491   9.338
  279   2HG   ARG  96           HG1      ARG  96  14.519   9.624   7.824
  280   1HD   ARG  96           HD2      ARG  96  12.425   9.861   9.147
  281   2HD   ARG  96           HD1      ARG  96  12.874   8.172   8.907
  282    HE   ARG  96           HE       ARG  96  14.048   8.829  11.329
  283   1HH1  ARG  96          HH11      ARG  96  11.017   8.084  10.007
  284   2HH1  ARG  96          HH12      ARG  96  10.140   8.303  11.485
  285   1HH2  ARG  96          HH21      ARG  96  12.870   9.532  13.234
  286   2HH2  ARG  96          HH22      ARG  96  11.188   9.123  13.311
  287    H    ARG  97           HN       ARG  97  16.753   5.856   8.599
  288    HA   ARG  97           HA       ARG  97  18.982   5.685  10.336
  289   1HB   ARG  97           HB2      ARG  97  17.591   3.747   8.527
  290   2HB   ARG  97           HB1      ARG  97  19.163   3.289   9.181
  291   1HG   ARG  97           HG2      ARG  97  17.806   2.520  10.886
  292   2HG   ARG  97           HG1      ARG  97  18.081   4.170  11.450
  293   1HD   ARG  97           HD2      ARG  97  15.976   4.911  10.529
  294   2HD   ARG  97           HD1      ARG  97  15.728   3.364   9.720
  295    HE   ARG  97           HE       ARG  97  14.730   3.817  12.224
  296   1HH1  ARG  97          HH11      ARG  97  17.071   3.086  13.693
  297   2HH1  ARG  97          HH12      ARG  97  17.030   1.355  13.759
  298   1HH2  ARG  97          HH21      ARG  97  14.761   1.046  11.154
  299   2HH2  ARG  97          HH22      ARG  97  15.722   0.201  12.321
  300    H    LEU  98           HN       LEU  98  18.866   5.389   6.780
  301    HA   LEU  98           HA       LEU  98  21.624   4.903   6.361
  302   1HB   LEU  98           HB2      LEU  98  19.341   5.712   4.762
  303   2HB   LEU  98           HB1      LEU  98  20.791   6.580   4.260
  304    HG   LEU  98           HG       LEU  98  21.493   3.847   4.757
  305   1HD1  LEU  98          HD13      LEU  98  18.822   4.083   3.884
  306   2HD1  LEU  98          HD12      LEU  98  19.755   3.650   2.450
  307   3HD1  LEU  98          HD11      LEU  98  19.814   2.625   3.884
  308   1HD2  LEU  98          HD21      LEU  98  21.711   5.913   2.695
  309   2HD2  LEU  98          HD23      LEU  98  22.859   4.649   3.138
  310   3HD2  LEU  98          HD22      LEU  98  21.550   4.296   2.010
  311    H    ILE  99           HN       ILE  99  19.866   7.998   6.556
  312    HA   ILE  99           HA       ILE  99  22.376   9.518   6.432
  313    HB   ILE  99           HB       ILE  99  20.711  11.448   7.036
  314   1HG1  ILE  99          HG12      ILE  99  18.586   9.777   5.843
  315   2HG1  ILE  99          HG11      ILE  99  19.012   9.344   7.499
  316   1HG2  ILE  99          HG23      ILE  99  20.788   9.843   4.484
  317   2HG2  ILE  99          HG22      ILE  99  19.817  11.310   4.603
  318   3HG2  ILE  99          HG21      ILE  99  21.563  11.386   4.839
  319   1HD1  ILE  99          HD13      ILE  99  18.539  12.222   6.737
  320   2HD1  ILE  99          HD12      ILE  99  17.189  11.161   7.140
  321   3HD1  ILE  99          HD11      ILE  99  18.450  11.475   8.332
  322    H    LYS 100           HN       LYS 100  20.097  10.706   8.743
  323    HA   LYS 100           HA       LYS 100  20.406  11.174  11.022
  324   1HB   LYS 100           HB2      LYS 100  19.696   8.774  11.039
  325   2HB   LYS 100           HB1      LYS 100  21.396   8.308  11.019
  326   1HG   LYS 100           HG2      LYS 100  20.230   8.415  13.320
  327   2HG   LYS 100           HG1      LYS 100  21.791   9.221  13.169
  328   1HD   LYS 100           HD2      LYS 100  20.771  11.375  12.989
  329   2HD   LYS 100           HD1      LYS 100  19.169  10.672  12.752
  330   1HE   LYS 100           HE2      LYS 100  20.132   9.600  15.179
  331   2HE   LYS 100           HE1      LYS 100  20.515  11.321  15.226
  332   1HZ   LYS 100           HZ2      LYS 100  18.064  11.446  14.276
  333   2HZ   LYS 100           HZ1      LYS 100  17.921   9.993  15.143
  334   3HZ   LYS 100           HZ3      LYS 100  18.386  11.413  15.943
  335    H    LYS 101           HN       LYS 101  22.696  11.745   9.234
  336    HA   LYS 101           HA       LYS 101  24.913  12.486   9.503
  337   1HB   LYS 101           HB2      LYS 101  23.695  12.755  12.024
  338   2HB   LYS 101           HB1      LYS 101  25.229  11.942  12.335
  339   1HG   LYS 101           HG2      LYS 101  25.857  14.195  12.384
  340   2HG   LYS 101           HG1      LYS 101  26.213  13.751  10.714
  341   1HD   LYS 101           HD2      LYS 101  24.212  14.765   9.910
  342   2HD   LYS 101           HD1      LYS 101  23.547  14.914  11.537
  343   1HE   LYS 101           HE2      LYS 101  24.415  17.082  10.704
  344   2HE   LYS 101           HE1      LYS 101  25.299  16.530  12.127
  345   1HZ   LYS 101           HZ1      LYS 101  26.283  15.738   9.485
  346   2HZ   LYS 101           HZ3      LYS 101  26.544  17.338   9.984
  347   3HZ   LYS 101           HZ2      LYS 101  27.146  16.051  10.914
  348   1H    VAL  62           HT2      VAL  62 -32.749 -10.132  11.008
  349   2H    VAL  62           HT1      VAL  62 -33.220 -10.258   9.381
  350   3H    VAL  62           HT3      VAL  62 -34.195  -9.413  10.481
  351    HA   VAL  62           HA       VAL  62 -34.844 -11.361  11.598
  352    HB   VAL  62           HB       VAL  62 -34.722 -12.133   8.674
  353   1HG1  VAL  62          HG12      VAL  62 -36.359 -12.857  11.059
  354   2HG1  VAL  62          HG11      VAL  62 -37.199 -12.747   9.512
  355   3HG1  VAL  62          HG13      VAL  62 -35.844 -13.860   9.704
  356   1HG2  VAL  62          HG22      VAL  62 -36.261  -9.969  10.086
  357   2HG2  VAL  62          HG21      VAL  62 -35.491  -9.931   8.500
  358   3HG2  VAL  62          HG23      VAL  62 -37.001 -10.814   8.725
  359    H    GLN  63           HN       GLN  63 -32.147 -11.921   9.373
  360    HA   GLN  63           HA       GLN  63 -31.713 -14.593  10.603
  361   1HB   GLN  63           HB2      GLN  63 -30.073 -14.917   8.775
  362   2HB   GLN  63           HB1      GLN  63 -31.665 -14.493   8.146
  363   1HG   GLN  63           HG2      GLN  63 -30.994 -12.389   7.473
  364   2HG   GLN  63           HG1      GLN  63 -29.764 -12.265   8.732
  365   1HE2  GLN  63          HE22      GLN  63 -27.229 -13.855   6.795
  366   2HE2  GLN  63          HE21      GLN  63 -27.692 -13.390   8.360
  367    H    LEU  64           HN       LEU  64 -29.703 -15.106  11.593
  368    HA   LEU  64           HA       LEU  64 -28.479 -12.970  13.079
  369   1HB   LEU  64           HB2      LEU  64 -28.582 -15.660  13.398
  370   2HB   LEU  64           HB1      LEU  64 -26.959 -15.496  12.725
  371    HG   LEU  64           HG       LEU  64 -27.119 -13.424  14.580
  372   1HD1  LEU  64          HD11      LEU  64 -29.136 -15.261  15.246
  373   2HD1  LEU  64          HD13      LEU  64 -27.800 -15.637  16.333
  374   3HD1  LEU  64          HD12      LEU  64 -28.468 -14.006  16.288
  375   1HD2  LEU  64          HD23      LEU  64 -25.872 -16.152  14.483
  376   2HD2  LEU  64          HD22      LEU  64 -25.095 -14.569  14.448
  377   3HD2  LEU  64          HD21      LEU  64 -25.733 -15.206  15.964
  378    H    ALA  65           HN       ALA  65 -26.032 -12.597  12.992
  379    HA   ALA  65           HA       ALA  65 -25.018 -12.764  10.193
  380   1HB   ALA  65           HB3      ALA  65 -25.928 -10.414  11.338
  381   2HB   ALA  65           HB2      ALA  65 -24.190 -10.343  11.628
  382   3HB   ALA  65           HB1      ALA  65 -24.802 -10.518   9.984
  383    H    HIS  66           HN       HIS  66 -22.922 -13.521  10.124
  384    HA   HIS  66           HA       HIS  66 -21.418 -13.555  12.710
  385   1HB   HIS  66           HB2      HIS  66 -21.682 -15.553  10.489
  386   2HB   HIS  66           HB1      HIS  66 -20.180 -15.500  11.413
  387    HD1  HIS  66           HD1      HIS  66 -22.630 -17.707  11.488
  388    HD2  HIS  66           HD2      HIS  66 -21.626 -14.887  14.389
  389    HE1  HIS  66           HE1      HIS  66 -23.575 -18.563  13.676
  390    H    HIS  67           HN       HIS  67 -19.358 -12.691  12.698
  391    HA   HIS  67           HA       HIS  67 -18.265 -11.840  10.048
  392   1HB   HIS  67           HB2      HIS  67 -18.626 -10.279  12.587
  393   2HB   HIS  67           HB1      HIS  67 -17.273  -9.894  11.523
  394    HD1  HIS  67           HD1      HIS  67 -18.158  -9.752   8.824
  395    HD2  HIS  67           HD2      HIS  67 -20.865  -8.851  11.863
  396    HE1  HIS  67           HE1      HIS  67 -20.011  -8.399   7.752
  397    H    PHE  68           HN       PHE  68 -17.784 -13.999  12.335
  398    HA   PHE  68           HA       PHE  68 -14.856 -13.495  12.620
  399   1HB   PHE  68           HB2      PHE  68 -16.905 -14.811  14.296
  400   2HB   PHE  68           HB1      PHE  68 -15.363 -15.663  14.203
  401    HD1  PHE  68           HD1      PHE  68 -16.666 -12.162  14.592
  402    HD2  PHE  68           HD2      PHE  68 -13.689 -15.052  15.701
  403    HE1  PHE  68           HE1      PHE  68 -15.665 -10.525  16.162
  404    HE2  PHE  68           HE2      PHE  68 -12.688 -13.415  17.273
  405    HZ   PHE  68           HZ       PHE  68 -13.676 -11.152  17.503
  406    H    SER  69           HN       SER  69 -16.014 -14.446  10.133
  407    HA   SER  69           HA       SER  69 -14.241 -16.491   9.420
  408   1HB   SER  69           HB2      SER  69 -16.032 -18.398   9.290
  409   2HB   SER  69           HB1      SER  69 -15.197 -18.110  10.813
  410    HG   SER  69           HG       SER  69 -17.682 -18.214  10.633
  411    H    GLU  70           HN       GLU  70 -14.360 -15.050   7.582
  412    HA   GLU  70           HA       GLU  70 -16.361 -15.904   5.611
  413   1HB   GLU  70           HB2      GLU  70 -16.622 -13.395   7.068
  414   2HB   GLU  70           HB1      GLU  70 -16.466 -13.122   5.332
  415   1HG   GLU  70           HG2      GLU  70 -18.209 -15.118   5.199
  416   2HG   GLU  70           HG1      GLU  70 -18.601 -14.586   6.834
  417    HA   PRO  71           HA       PRO  71 -13.020 -15.300   2.858
  418   1HB   PRO  71           HB2      PRO  71 -14.623 -14.245   0.723
  419   2HB   PRO  71           HB1      PRO  71 -14.048 -15.906   0.927
  420   1HG   PRO  71           HG2      PRO  71 -16.743 -14.915   1.247
  421   2HG   PRO  71           HG1      PRO  71 -16.169 -16.578   1.419
  422   1HD   PRO  71           HD2      PRO  71 -16.990 -14.776   3.510
  423   2HD   PRO  71           HD1      PRO  71 -16.389 -16.438   3.681
  424    H    GLU  72           HN       GLU  72 -15.224 -12.707   3.587
  425    HA   GLU  72           HA       GLU  72 -14.166 -10.520   2.220
  426   1HB   GLU  72           HB2      GLU  72 -15.135 -10.713   5.084
  427   2HB   GLU  72           HB1      GLU  72 -14.778  -9.181   4.284
  428   1HG   GLU  72           HG2      GLU  72 -16.403  -9.829   2.474
  429   2HG   GLU  72           HG1      GLU  72 -16.846 -11.232   3.446
  430    H    ILE  73           HN       ILE  73 -13.153 -11.370   5.552
  431    HA   ILE  73           HA       ILE  73 -10.914  -9.748   5.723
  432    HB   ILE  73           HB       ILE  73 -11.943 -11.441   7.438
  433   1HG1  ILE  73          HG12      ILE  73  -9.288 -11.638   8.210
  434   2HG1  ILE  73          HG11      ILE  73  -9.303 -10.238   7.136
  435   1HG2  ILE  73          HG23      ILE  73 -11.403 -13.458   6.072
  436   2HG2  ILE  73          HG22      ILE  73  -9.688 -13.099   6.268
  437   3HG2  ILE  73          HG21      ILE  73 -10.668 -13.513   7.674
  438   1HD1  ILE  73          HD11      ILE  73 -11.564 -10.371   9.031
  439   2HD1  ILE  73          HD13      ILE  73  -9.984 -10.130   9.778
  440   3HD1  ILE  73          HD12      ILE  73 -10.568  -8.993   8.562
  441    H    THR  74           HN       THR  74 -11.132 -12.944   4.179
  442    HA   THR  74           HA       THR  74  -8.394 -13.318   3.581
  443    HB   THR  74           HB       THR  74 -10.832 -14.101   1.956
  444    HG1  THR  74           HG1      THR  74 -11.036 -15.387   3.591
  445   1HG2  THR  74          HG22      THR  74  -8.489 -14.061   0.821
  446   2HG2  THR  74          HG21      THR  74  -8.140 -15.444   1.858
  447   3HG2  THR  74          HG23      THR  74  -9.462 -15.526   0.692
  448    H    LEU  75           HN       LEU  75 -10.903 -11.641   1.661
  449    HA   LEU  75           HA       LEU  75  -9.048 -10.889  -0.428
  450   1HB   LEU  75           HB2      LEU  75 -11.764 -10.851  -0.253
  451   2HB   LEU  75           HB1      LEU  75 -11.405  -9.146   0.022
  452    HG   LEU  75           HG       LEU  75 -10.573 -10.839  -2.347
  453   1HD1  LEU  75          HD12      LEU  75 -12.868  -9.402  -1.920
  454   2HD1  LEU  75          HD11      LEU  75 -11.839  -8.197  -2.697
  455   3HD1  LEU  75          HD13      LEU  75 -12.179  -9.725  -3.512
  456   1HD2  LEU  75          HD21      LEU  75  -9.538  -8.235  -1.287
  457   2HD2  LEU  75          HD23      LEU  75  -8.664  -9.542  -2.087
  458   3HD2  LEU  75          HD22      LEU  75  -9.664  -8.440  -3.034
  459    H    ILE  76           HN       ILE  76 -10.377  -9.107   2.386
  460    HA   ILE  76           HA       ILE  76  -9.047  -6.664   1.864
  461    HB   ILE  76           HB       ILE  76  -9.593  -7.898   4.583
  462   1HG1  ILE  76          HG12      ILE  76 -11.340  -6.001   2.999
  463   2HG1  ILE  76          HG11      ILE  76 -11.554  -7.752   2.954
  464   1HG2  ILE  76          HG23      ILE  76  -8.064  -5.828   4.347
  465   2HG2  ILE  76          HG22      ILE  76  -9.523  -4.973   3.847
  466   3HG2  ILE  76          HG21      ILE  76  -9.434  -5.703   5.450
  467   1HD1  ILE  76          HD13      ILE  76 -11.464  -6.228   5.556
  468   2HD1  ILE  76          HD12      ILE  76 -12.970  -6.457   4.666
  469   3HD1  ILE  76          HD11      ILE  76 -12.077  -7.855   5.268
  470    H    ILE  77           HN       ILE  77  -7.896  -9.487   3.779
  471    HA   ILE  77           HA       ILE  77  -5.361  -8.367   4.428
  472    HB   ILE  77           HB       ILE  77  -4.580 -10.689   4.737
  473   1HG1  ILE  77          HG12      ILE  77  -7.250 -11.454   3.525
  474   2HG1  ILE  77          HG11      ILE  77  -5.689 -11.662   2.736
  475   1HG2  ILE  77          HG23      ILE  77  -6.830  -9.454   5.975
  476   2HG2  ILE  77          HG22      ILE  77  -7.161 -11.183   5.872
  477   3HG2  ILE  77          HG21      ILE  77  -5.701 -10.611   6.680
  478   1HD1  ILE  77          HD13      ILE  77  -4.988 -13.038   4.757
  479   2HD1  ILE  77          HD12      ILE  77  -6.682 -13.013   5.251
  480   3HD1  ILE  77          HD11      ILE  77  -6.218 -13.773   3.729
  481    H    PHE  78           HN       PHE  78  -6.369 -10.338   1.634
  482    HA   PHE  78           HA       PHE  78  -3.859 -10.422   0.314
  483   1HB   PHE  78           HB2      PHE  78  -6.709 -10.645  -0.571
  484   2HB   PHE  78           HB1      PHE  78  -5.478 -10.394  -1.809
  485    HD1  PHE  78           HD2      PHE  78  -3.233 -11.867  -1.329
  486    HD2  PHE  78           HD1      PHE  78  -7.224 -12.866  -0.096
  487    HE1  PHE  78           HE2      PHE  78  -2.591 -14.258  -1.186
  488    HE2  PHE  78           HE1      PHE  78  -6.581 -15.257   0.049
  489    HZ   PHE  78           HZ       PHE  78  -4.265 -15.953  -0.497
  490    H    GLY  79           HN       GLY  79  -6.491  -8.012   0.033
  491   1HA   GLY  79           HA2      GLY  79  -5.253  -6.360  -1.908
  492   2HA   GLY  79           HA1      GLY  79  -6.395  -5.776  -0.695
  493    H    VAL  80           HN       VAL  80  -5.006  -6.214   1.665
  494    HA   VAL  80           HA       VAL  80  -3.268  -3.978   1.798
  495    HB   VAL  80           HB       VAL  80  -3.449  -6.419   3.581
  496   1HG1  VAL  80          HG12      VAL  80  -1.708  -4.023   3.635
  497   2HG1  VAL  80          HG11      VAL  80  -2.507  -4.410   5.159
  498   3HG1  VAL  80          HG13      VAL  80  -1.471  -5.604   4.379
  499   1HG2  VAL  80          HG22      VAL  80  -5.341  -4.505   3.131
  500   2HG2  VAL  80          HG21      VAL  80  -5.144  -5.333   4.676
  501   3HG2  VAL  80          HG23      VAL  80  -4.420  -3.745   4.428
  502    H    MET  81           HN       MET  81  -2.478  -7.455   1.554
  503    HA   MET  81           HA       MET  81   0.349  -7.172   1.509
  504   1HB   MET  81           HB2      MET  81  -1.439  -9.195   0.124
  505   2HB   MET  81           HB1      MET  81   0.315  -9.346   0.249
  506   1HG   MET  81           HG2      MET  81  -0.066  -9.030   2.803
  507   2HG   MET  81           HG1      MET  81  -1.743  -9.443   2.447
  508   1HE   MET  81           HE3      MET  81  -2.633 -11.446   1.642
  509   2HE   MET  81           HE2      MET  81  -1.696 -11.588   0.157
  510   3HE   MET  81           HE1      MET  81  -1.805 -12.960   1.257
  511    H    ALA  82           HN       ALA  82  -2.011  -7.191  -1.151
  512    HA   ALA  82           HA       ALA  82  -0.188  -6.843  -3.285
  513   1HB   ALA  82           HB1      ALA  82  -3.075  -6.597  -2.904
  514   2HB   ALA  82           HB3      ALA  82  -2.455  -5.414  -4.060
  515   3HB   ALA  82           HB2      ALA  82  -2.171  -7.134  -4.316
  516    H    GLY  83           HN       GLY  83  -1.846  -4.345  -1.297
  517   1HA   GLY  83           HA2      GLY  83  -0.842  -2.093  -2.679
  518   2HA   GLY  83           HA1      GLY  83  -1.259  -2.102  -0.964
  519    H    VAL  84           HN       VAL  84   0.597  -3.883   0.078
  520    HA   VAL  84           HA       VAL  84   2.924  -2.277   0.334
  521    HB   VAL  84           HB       VAL  84   2.718  -5.282   0.706
  522   1HG1  VAL  84          HG11      VAL  84   4.993  -3.853   0.689
  523   2HG1  VAL  84          HG13      VAL  84   4.483  -3.525   2.346
  524   3HG1  VAL  84          HG12      VAL  84   4.736  -5.187   1.814
  525   1HG2  VAL  84          HG21      VAL  84   0.993  -4.008   1.967
  526   2HG2  VAL  84          HG23      VAL  84   2.183  -4.740   3.044
  527   3HG2  VAL  84          HG22      VAL  84   2.265  -3.016   2.678
  528    H    ILE  85           HN       ILE  85   2.382  -5.178  -1.699
  529    HA   ILE  85           HA       ILE  85   4.954  -5.274  -2.889
  530    HB   ILE  85           HB       ILE  85   2.300  -5.947  -4.196
  531   1HG1  ILE  85          HG12      ILE  85   4.156  -7.575  -2.433
  532   2HG1  ILE  85          HG11      ILE  85   2.500  -7.098  -2.059
  533   1HG2  ILE  85          HG21      ILE  85   5.045  -6.078  -5.077
  534   2HG2  ILE  85          HG23      ILE  85   4.386  -7.708  -4.943
  535   3HG2  ILE  85          HG22      ILE  85   3.581  -6.513  -5.960
  536   1HD1  ILE  85          HD12      ILE  85   3.227  -8.787  -4.464
  537   2HD1  ILE  85          HD11      ILE  85   2.762  -9.475  -2.907
  538   3HD1  ILE  85          HD13      ILE  85   1.617  -8.483  -3.811
  539    H    GLY  86           HN       GLY  86   2.019  -3.537  -3.973
  540   1HA   GLY  86           HA2      GLY  86   3.101  -2.407  -6.329
  541   2HA   GLY  86           HA1      GLY  86   1.806  -1.675  -5.380
  542    H    THR  87           HN       THR  87   3.091  -1.102  -2.996
  543    HA   THR  87           HA       THR  87   4.409   1.338  -3.566
  544    HB   THR  87           HB       THR  87   4.764  -0.354  -1.076
  545    HG1  THR  87           HG1      THR  87   2.571   0.015  -1.580
  546   1HG2  THR  87          HG21      THR  87   5.217   2.541  -1.776
  547   2HG2  THR  87          HG23      THR  87   4.901   2.056  -0.111
  548   3HG2  THR  87          HG22      THR  87   6.309   1.420  -0.962
  549    H    ILE  88           HN       ILE  88   5.814  -1.843  -2.707
  550    HA   ILE  88           HA       ILE  88   8.537  -1.046  -2.777
  551    HB   ILE  88           HB       ILE  88   7.320  -3.700  -3.609
  552   1HG1  ILE  88          HG12      ILE  88   8.560  -2.904  -0.961
  553   2HG1  ILE  88          HG11      ILE  88   6.824  -2.831  -1.268
  554   1HG2  ILE  88          HG21      ILE  88  10.083  -2.694  -3.439
  555   2HG2  ILE  88          HG23      ILE  88   9.813  -4.197  -2.556
  556   3HG2  ILE  88          HG22      ILE  88   9.452  -4.109  -4.280
  557   1HD1  ILE  88          HD13      ILE  88   8.477  -5.337  -1.662
  558   2HD1  ILE  88          HD12      ILE  88   7.608  -4.974  -0.171
  559   3HD1  ILE  88          HD11      ILE  88   6.718  -5.202  -1.678
  560    H    LEU  89           HN       LEU  89   6.445  -2.273  -5.393
  561    HA   LEU  89           HA       LEU  89   8.369  -2.166  -7.475
  562   1HB   LEU  89           HB2      LEU  89   6.584  -3.037  -8.550
  563   2HB   LEU  89           HB1      LEU  89   5.529  -2.563  -7.225
  564    HG   LEU  89           HG       LEU  89   5.391  -0.267  -8.252
  565   1HD1  LEU  89          HD11      LEU  89   7.531  -1.232  -9.789
  566   2HD1  LEU  89          HD13      LEU  89   6.171  -1.146 -10.908
  567   3HD1  LEU  89          HD12      LEU  89   6.673   0.291 -10.020
  568   1HD2  LEU  89          HD22      LEU  89   4.462  -2.739  -9.710
  569   2HD2  LEU  89          HD21      LEU  89   3.527  -1.649  -8.686
  570   3HD2  LEU  89          HD23      LEU  89   4.033  -1.131 -10.294
  571    H    LEU  90           HN       LEU  90   6.097   0.316  -6.304
  572    HA   LEU  90           HA       LEU  90   6.793   2.386  -8.116
  573   1HB   LEU  90           HB2      LEU  90   5.947   2.545  -5.205
  574   2HB   LEU  90           HB1      LEU  90   6.029   3.932  -6.292
  575    HG   LEU  90           HG       LEU  90   4.382   1.455  -6.861
  576   1HD1  LEU  90          HD13      LEU  90   3.656   4.079  -5.543
  577   2HD1  LEU  90          HD12      LEU  90   2.451   3.045  -6.310
  578   3HD1  LEU  90          HD11      LEU  90   3.380   2.446  -4.935
  579   1HD2  LEU  90          HD22      LEU  90   5.104   2.855  -8.805
  580   2HD2  LEU  90          HD21      LEU  90   3.356   2.863  -8.573
  581   3HD2  LEU  90          HD23      LEU  90   4.319   4.245  -8.054
  582    H    ILE  91           HN       ILE  91   8.214   1.560  -4.942
  583    HA   ILE  91           HA       ILE  91  10.136   3.639  -4.844
  584    HB   ILE  91           HB       ILE  91  10.334   0.786  -3.827
  585   1HG1  ILE  91          HG12      ILE  91   9.692   3.317  -2.296
  586   2HG1  ILE  91          HG11      ILE  91   8.437   2.308  -3.014
  587   1HG2  ILE  91          HG23      ILE  91  12.067   3.222  -3.468
  588   2HG2  ILE  91          HG22      ILE  91  11.948   2.021  -2.181
  589   3HG2  ILE  91          HG21      ILE  91  12.549   1.553  -3.772
  590   1HD1  ILE  91          HD12      ILE  91   9.883   0.409  -1.728
  591   2HD1  ILE  91          HD11      ILE  91  10.169   1.784  -0.662
  592   3HD1  ILE  91          HD13      ILE  91   8.520   1.249  -0.989
  593    H    SER  92           HN       SER  92  10.424   0.361  -6.285
  594    HA   SER  92           HA       SER  92  13.107   0.650  -7.171
  595   1HB   SER  92           HB2      SER  92  10.947  -0.760  -8.754
  596   2HB   SER  92           HB1      SER  92  12.664  -1.148  -8.684
  597    HG   SER  92           HG       SER  92  11.083  -2.414  -7.344
  598    H    TYR  93           HN       TYR  93  10.037   1.479  -8.815
  599    HA   TYR  93           HA       TYR  93  11.208   2.550 -11.174
  600   1HB   TYR  93           HB2      TYR  93   8.642   2.267 -10.246
  601   2HB   TYR  93           HB1      TYR  93   8.860   4.014 -10.139
  602    HD1  TYR  93           HD1      TYR  93   9.740   5.254 -12.204
  603    HD2  TYR  93           HD2      TYR  93   8.273   1.217 -12.331
  604    HE1  TYR  93           HE1      TYR  93   9.437   5.440 -14.658
  605    HE2  TYR  93           HE2      TYR  93   7.970   1.405 -14.785
  606    HH   TYR  93           HH       TYR  93   7.574   3.536 -16.430
  607    H    GLY  94           HN       GLY  94  10.351   4.163  -8.096
  608   1HA   GLY  94           HA2      GLY  94  11.189   6.773  -8.779
  609   2HA   GLY  94           HA1      GLY  94  11.156   6.137  -7.137
  610    H    ILE  95           HN       ILE  95  13.101   4.156  -7.220
  611    HA   ILE  95           HA       ILE  95  15.488   5.667  -6.957
  612    HB   ILE  95           HB       ILE  95  15.430   3.558  -5.847
  613   1HG1  ILE  95          HG12      ILE  95  17.317   3.484  -8.218
  614   2HG1  ILE  95          HG11      ILE  95  17.654   4.115  -6.605
  615   1HG2  ILE  95          HG23      ILE  95  15.028   2.309  -8.578
  616   2HG2  ILE  95          HG22      ILE  95  15.243   1.421  -7.071
  617   3HG2  ILE  95          HG21      ILE  95  13.814   2.427  -7.303
  618   1HD1  ILE  95          HD13      ILE  95  17.200   1.786  -5.712
  619   2HD1  ILE  95          HD12      ILE  95  17.166   1.230  -7.386
  620   3HD1  ILE  95          HD11      ILE  95  18.642   1.926  -6.719
  621    H    ARG  96           HN       ARG  96  14.389   3.639  -9.687
  622    HA   ARG  96           HA       ARG  96  16.651   4.015 -11.360
  623   1HB   ARG  96           HB2      ARG  96  13.722   3.588 -11.964
  624   2HB   ARG  96           HB1      ARG  96  14.919   3.748 -13.249
  625   1HG   ARG  96           HG2      ARG  96  16.087   1.939 -11.483
  626   2HG   ARG  96           HG1      ARG  96  14.385   1.476 -11.497
  627   1HD   ARG  96           HD2      ARG  96  16.310   1.623 -13.813
  628   2HD   ARG  96           HD1      ARG  96  15.292   0.271 -13.311
  629    HE   ARG  96           HE       ARG  96  13.473   2.253 -13.966
  630   1HH1  ARG  96          HH11      ARG  96  14.894  -0.294 -15.461
  631   2HH1  ARG  96          HH12      ARG  96  14.815   0.332 -17.074
  632   1HH2  ARG  96          HH21      ARG  96  13.913   3.527 -16.073
  633   2HH2  ARG  96          HH22      ARG  96  14.259   2.496 -17.421
  634    H    ARG  97           HN       ARG  97  13.675   5.975 -11.097
  635    HA   ARG  97           HA       ARG  97  14.340   7.890 -13.069
  636   1HB   ARG  97           HB2      ARG  97  12.121   7.913 -12.160
  637   2HB   ARG  97           HB1      ARG  97  12.729   8.133 -10.518
  638   1HG   ARG  97           HG2      ARG  97  12.738  10.366 -10.779
  639   2HG   ARG  97           HG1      ARG  97  13.765  10.223 -12.206
  640   1HD   ARG  97           HD2      ARG  97  11.792  11.276 -12.996
  641   2HD   ARG  97           HD1      ARG  97  11.620   9.587 -13.477
  642    HE   ARG  97           HE       ARG  97  10.383   9.683 -11.006
  643   1HH1  ARG  97          HH21      ARG  97   9.365  12.239 -10.989
  644   2HH1  ARG  97          HH22      ARG  97   8.036  12.263 -12.100
  645   1HH2  ARG  97          HH11      ARG  97   9.004   9.359 -13.730
  646   2HH2  ARG  97          HH12      ARG  97   7.832  10.633 -13.651
  647    H    LEU  98           HN       LEU  98  15.075   7.909  -9.574
  648    HA   LEU  98           HA       LEU  98  16.410  10.406  -9.498
  649   1HB   LEU  98           HB2      LEU  98  16.658   7.867  -7.896
  650   2HB   LEU  98           HB1      LEU  98  17.776   9.202  -7.613
  651    HG   LEU  98           HG       LEU  98  14.834   9.771  -7.727
  652   1HD1  LEU  98          HD13      LEU  98  16.342   8.595  -5.375
  653   2HD1  LEU  98          HD12      LEU  98  14.774   9.389  -5.240
  654   3HD1  LEU  98          HD11      LEU  98  14.933   7.906  -6.182
  655   1HD2  LEU  98          HD23      LEU  98  17.260  10.925  -6.329
  656   2HD2  LEU  98          HD22      LEU  98  16.275  11.683  -7.580
  657   3HD2  LEU  98          HD21      LEU  98  15.615  11.443  -5.963
  658    H    ILE  99           HN       ILE  99  17.708   7.149 -10.158
  659    HA   ILE  99           HA       ILE  99  20.376   8.161 -10.725
  660    HB   ILE  99           HB       ILE  99  20.790   5.821 -11.472
  661   1HG1  ILE  99          HG12      ILE  99  17.841   5.445 -10.851
  662   2HG1  ILE  99          HG11      ILE  99  18.520   5.477 -12.474
  663   1HG2  ILE  99          HG21      ILE  99  19.779   6.650  -8.862
  664   2HG2  ILE  99          HG23      ILE  99  19.532   4.928  -9.150
  665   3HG2  ILE  99          HG22      ILE  99  21.153   5.615  -9.252
  666   1HD1  ILE  99          HD12      ILE  99  19.992   3.638 -10.780
  667   2HD1  ILE  99          HD11      ILE  99  18.275   3.233 -10.805
  668   3HD1  ILE  99          HD13      ILE  99  19.181   3.329 -12.315
  669    H    LYS 100           HN       LYS 100  20.124   6.105 -13.174
  670    HA   LYS 100           HA       LYS 100  20.004   6.368 -15.495
  671   1HB   LYS 100           HB2      LYS 100  17.552   6.582 -14.737
  672   2HB   LYS 100           HB1      LYS 100  17.766   8.321 -14.954
  673   1HG   LYS 100           HG2      LYS 100  17.593   8.135 -17.193
  674   2HG   LYS 100           HG1      LYS 100  18.817   6.865 -17.234
  675   1HD   LYS 100           HD2      LYS 100  16.905   5.762 -18.034
  676   2HD   LYS 100           HD1      LYS 100  16.910   5.335 -16.321
  677   1HE   LYS 100           HE2      LYS 100  15.156   6.788 -15.814
  678   2HE   LYS 100           HE1      LYS 100  15.466   7.811 -17.216
  679   1HZ   LYS 100           HZ1      LYS 100  14.786   5.075 -17.843
  680   2HZ   LYS 100           HZ3      LYS 100  13.541   5.948 -17.091
  681   3HZ   LYS 100           HZ2      LYS 100  14.227   6.522 -18.537
  682    H    LYS 101           HN       LYS 101  20.349   7.975 -17.256
  683    HA   LYS 101           HA       LYS 101  21.702   9.739 -18.053
  684   1HB   LYS 101           HB2      LYS 101  19.653  10.936 -16.230
  685   2HB   LYS 101           HB1      LYS 101  20.938  11.981 -16.836
  686   1HG   LYS 101           HG2      LYS 101  20.276  10.760 -19.139
  687   2HG   LYS 101           HG1      LYS 101  18.720  10.654 -18.314
  688   1HD   LYS 101           HD2      LYS 101  18.385  12.916 -18.364
  689   2HD   LYS 101           HD1      LYS 101  20.099  13.278 -18.153
  690   1HE   LYS 101           HE2      LYS 101  19.023  12.100 -20.718
  691   2HE   LYS 101           HE1      LYS 101  19.080  13.841 -20.444
  692   1HZ   LYS 101           HZ2      LYS 101  21.547  12.892 -19.686
  693   2HZ   LYS 101           HZ1      LYS 101  21.186  12.065 -21.125
  694   3HZ   LYS 101           HZ3      LYS 101  21.181  13.759 -21.100
   
  No H/Q in entry =         694
  Start of MODEL   15
    1   1H    VAL  62           HT2      VAL  62 -18.200 -19.480  15.815
    2   2H    VAL  62           HT1      VAL  62 -19.876 -19.669  16.016
    3   3H    VAL  62           HT3      VAL  62 -18.805 -20.387  17.118
    4    HA   VAL  62           HA       VAL  62 -18.164 -22.037  15.668
    5    HB   VAL  62           HB       VAL  62 -21.055 -21.307  15.148
    6   1HG1  VAL  62          HG13      VAL  62 -19.379 -23.224  13.767
    7   2HG1  VAL  62          HG12      VAL  62 -20.652 -24.054  14.663
    8   3HG1  VAL  62          HG11      VAL  62 -21.071 -22.818  13.476
    9   1HG2  VAL  62          HG21      VAL  62 -20.239 -21.990  17.463
   10   2HG2  VAL  62          HG23      VAL  62 -21.518 -23.000  16.789
   11   3HG2  VAL  62          HG22      VAL  62 -19.847 -23.563  16.769
   12    H    GLN  63           HN       GLN  63 -19.421 -19.201  14.021
   13    HA   GLN  63           HA       GLN  63 -18.829 -18.321  11.925
   14   1HB   GLN  63           HB2      GLN  63 -16.552 -19.368  12.611
   15   2HB   GLN  63           HB1      GLN  63 -16.996 -20.695  11.541
   16   1HG   GLN  63           HG2      GLN  63 -15.583 -18.837  10.497
   17   2HG   GLN  63           HG1      GLN  63 -17.055 -19.264   9.627
   18   1HE2  GLN  63          HE22      GLN  63 -17.032 -15.715  11.730
   19   2HE2  GLN  63          HE21      GLN  63 -16.096 -17.013  12.298
   20    H    LEU  64           HN       LEU  64 -18.873 -19.073   9.506
   21    HA   LEU  64           HA       LEU  64 -19.841 -20.382   7.789
   22   1HB   LEU  64           HB2      LEU  64 -19.475 -22.266   9.777
   23   2HB   LEU  64           HB1      LEU  64 -21.220 -22.314   9.515
   24    HG   LEU  64           HG       LEU  64 -20.367 -22.229   6.945
   25   1HD1  LEU  64          HD13      LEU  64 -18.021 -22.756   8.463
   26   2HD1  LEU  64          HD12      LEU  64 -18.462 -24.258   7.651
   27   3HD1  LEU  64          HD11      LEU  64 -18.203 -22.791   6.710
   28   1HD2  LEU  64          HD22      LEU  64 -21.019 -24.419   8.864
   29   2HD2  LEU  64          HD21      LEU  64 -21.854 -23.934   7.387
   30   3HD2  LEU  64          HD23      LEU  64 -20.377 -24.893   7.291
   31    H    ALA  65           HN       ALA  65 -21.323 -18.832  10.348
   32    HA   ALA  65           HA       ALA  65 -24.076 -19.288   9.351
   33   1HB   ALA  65           HB2      ALA  65 -22.871 -18.370  11.851
   34   2HB   ALA  65           HB1      ALA  65 -24.183 -17.315  11.319
   35   3HB   ALA  65           HB3      ALA  65 -24.478 -19.037  11.562
   36    H    HIS  66           HN       HIS  66 -21.506 -16.922   9.261
   37    HA   HIS  66           HA       HIS  66 -21.348 -14.854   8.168
   38   1HB   HIS  66           HB2      HIS  66 -23.060 -16.587   6.520
   39   2HB   HIS  66           HB1      HIS  66 -23.305 -14.864   6.229
   40    HD1  HIS  66           HD1      HIS  66 -21.295 -13.502   5.303
   41    HD2  HIS  66           HD2      HIS  66 -20.485 -17.562   5.792
   42    HE1  HIS  66           HE1      HIS  66 -19.114 -13.948   4.095
   43    H    HIS  67           HN       HIS  67 -22.707 -12.853   7.548
   44    HA   HIS  67           HA       HIS  67 -25.287 -12.674   8.982
   45   1HB   HIS  67           HB2      HIS  67 -22.915 -11.923  10.262
   46   2HB   HIS  67           HB1      HIS  67 -23.593 -10.406   9.673
   47    HD1  HIS  67           HD1      HIS  67 -23.551 -11.378  12.730
   48    HD2  HIS  67           HD2      HIS  67 -26.819 -11.533  10.146
   49    HE1  HIS  67           HE1      HIS  67 -25.618 -11.431  14.192
   50    H    PHE  68           HN       PHE  68 -24.099 -12.384   6.185
   51    HA   PHE  68           HA       PHE  68 -24.330 -10.947   4.342
   52   1HB   PHE  68           HB2      PHE  68 -26.738 -10.757   5.976
   53   2HB   PHE  68           HB1      PHE  68 -26.447  -9.274   5.065
   54    HD1  PHE  68           HD1      PHE  68 -25.596 -12.814   4.213
   55    HD2  PHE  68           HD2      PHE  68 -27.941  -9.348   3.245
   56    HE1  PHE  68           HE1      PHE  68 -26.390 -13.929   2.145
   57    HE2  PHE  68           HE2      PHE  68 -28.735 -10.463   1.176
   58    HZ   PHE  68           HZ       PHE  68 -27.958 -12.753   0.626
   59    H    SER  69           HN       SER  69 -24.815  -8.362   3.933
   60    HA   SER  69           HA       SER  69 -23.865  -6.227   4.154
   61   1HB   SER  69           HB2      SER  69 -24.192  -7.113   7.014
   62   2HB   SER  69           HB1      SER  69 -23.418  -5.576   6.637
   63    HG   SER  69           HG       SER  69 -25.366  -5.221   5.283
   64    H    GLU  70           HN       GLU  70 -21.915  -6.918   3.050
   65    HA   GLU  70           HA       GLU  70 -19.557  -6.923   4.852
   66   1HB   GLU  70           HB2      GLU  70 -20.519  -9.278   3.663
   67   2HB   GLU  70           HB1      GLU  70 -19.158  -8.783   2.656
   68   1HG   GLU  70           HG2      GLU  70 -17.802  -8.508   4.767
   69   2HG   GLU  70           HG1      GLU  70 -19.144  -9.233   5.652
   70    HA   PRO  71           HA       PRO  71 -19.047  -3.936   1.433
   71   1HB   PRO  71           HB2      PRO  71 -16.963  -2.778   3.061
   72   2HB   PRO  71           HB1      PRO  71 -18.546  -2.096   2.665
   73   1HG   PRO  71           HG2      PRO  71 -17.687  -3.170   5.194
   74   2HG   PRO  71           HG1      PRO  71 -19.276  -2.514   4.783
   75   1HD   PRO  71           HD2      PRO  71 -18.571  -5.271   5.229
   76   2HD   PRO  71           HD1      PRO  71 -20.163  -4.610   4.804
   77    H    GLU  72           HN       GLU  72 -18.054  -5.530   0.064
   78    HA   GLU  72           HA       GLU  72 -15.465  -6.669   0.599
   79   1HB   GLU  72           HB2      GLU  72 -17.054  -7.717  -0.957
   80   2HB   GLU  72           HB1      GLU  72 -16.938  -6.322  -2.030
   81   1HG   GLU  72           HG2      GLU  72 -14.560  -6.751  -2.390
   82   2HG   GLU  72           HG1      GLU  72 -14.604  -8.087  -1.239
   83    H    ILE  73           HN       ILE  73 -16.073  -4.689  -2.287
   84    HA   ILE  73           HA       ILE  73 -13.494  -3.786  -2.676
   85    HB   ILE  73           HB       ILE  73 -15.626  -3.364  -4.081
   86   1HG1  ILE  73          HG12      ILE  73 -14.384  -0.873  -4.448
   87   2HG1  ILE  73          HG11      ILE  73 -13.127  -1.938  -3.819
   88   1HG2  ILE  73          HG22      ILE  73 -16.488  -1.952  -1.961
   89   2HG2  ILE  73          HG21      ILE  73 -15.675  -0.655  -2.837
   90   3HG2  ILE  73          HG23      ILE  73 -16.977  -1.562  -3.609
   91   1HD1  ILE  73          HD13      ILE  73 -14.549  -3.497  -5.673
   92   2HD1  ILE  73          HD12      ILE  73 -14.350  -1.924  -6.447
   93   3HD1  ILE  73          HD11      ILE  73 -12.936  -2.815  -5.885
   94    H    THR  74           HN       THR  74 -15.823  -2.584  -0.315
   95    HA   THR  74           HA       THR  74 -14.373  -0.189   0.358
   96    HB   THR  74           HB       THR  74 -15.837  -1.341   2.594
   97    HG1  THR  74           HG1      THR  74 -17.190  -1.039   0.121
   98   1HG2  THR  74          HG21      THR  74 -15.259   1.110   1.917
   99   2HG2  THR  74          HG23      THR  74 -16.682   0.983   0.882
  100   3HG2  THR  74          HG22      THR  74 -16.839   0.778   2.626
  101    H    LEU  75           HN       LEU  75 -14.430  -3.450   1.840
  102    HA   LEU  75           HA       LEU  75 -12.376  -2.737   3.773
  103   1HB   LEU  75           HB2      LEU  75 -13.781  -5.255   2.973
  104   2HB   LEU  75           HB1      LEU  75 -12.222  -5.417   3.770
  105    HG   LEU  75           HG       LEU  75 -14.729  -4.112   4.836
  106   1HD1  LEU  75          HD13      LEU  75 -12.983  -6.460   5.520
  107   2HD1  LEU  75          HD12      LEU  75 -13.899  -5.663   6.801
  108   3HD1  LEU  75          HD11      LEU  75 -14.743  -6.370   5.424
  109   1HD2  LEU  75          HD23      LEU  75 -11.858  -3.663   5.561
  110   2HD2  LEU  75          HD22      LEU  75 -13.215  -2.537   5.616
  111   3HD2  LEU  75          HD21      LEU  75 -13.035  -3.765   6.871
  112    H    ILE  76           HN       ILE  76 -12.374  -4.636   0.736
  113    HA   ILE  76           HA       ILE  76  -9.608  -5.263   0.771
  114    HB   ILE  76           HB       ILE  76 -11.548  -4.784  -1.502
  115   1HG1  ILE  76          HG12      ILE  76 -10.189  -7.264  -0.399
  116   2HG1  ILE  76          HG11      ILE  76 -11.872  -6.807  -0.132
  117   1HG2  ILE  76          HG22      ILE  76  -8.657  -4.823  -1.592
  118   2HG2  ILE  76          HG21      ILE  76  -9.310  -6.218  -2.450
  119   3HG2  ILE  76          HG23      ILE  76  -9.801  -4.588  -2.912
  120   1HD1  ILE  76          HD12      ILE  76 -11.401  -6.709  -2.939
  121   2HD1  ILE  76          HD11      ILE  76 -10.754  -8.239  -2.349
  122   3HD1  ILE  76          HD13      ILE  76 -12.442  -7.823  -2.056
  123    H    ILE  77           HN       ILE  77 -11.293  -2.435  -0.632
  124    HA   ILE  77           HA       ILE  77  -8.968  -1.097  -1.570
  125    HB   ILE  77           HB       ILE  77 -11.621  -0.048  -0.555
  126   1HG1  ILE  77          HG12      ILE  77 -11.479  -1.423  -2.688
  127   2HG1  ILE  77          HG11      ILE  77 -12.136   0.202  -2.893
  128   1HG2  ILE  77          HG23      ILE  77  -9.140   1.371  -1.371
  129   2HG2  ILE  77          HG22      ILE  77 -10.647   1.979  -2.054
  130   3HG2  ILE  77          HG21      ILE  77 -10.439   1.902  -0.304
  131   1HD1  ILE  77          HD13      ILE  77  -9.203   0.055  -3.132
  132   2HD1  ILE  77          HD12      ILE  77 -10.073  -0.840  -4.378
  133   3HD1  ILE  77          HD11      ILE  77 -10.376   0.884  -4.157
  134    H    PHE  78           HN       PHE  78 -10.639  -0.862   1.581
  135    HA   PHE  78           HA       PHE  78  -8.900   1.037   2.771
  136   1HB   PHE  78           HB2      PHE  78 -10.670  -1.133   3.861
  137   2HB   PHE  78           HB1      PHE  78  -9.582  -0.272   4.949
  138    HD1  PHE  78           HD2      PHE  78 -10.893   1.405   1.965
  139    HD2  PHE  78           HD1      PHE  78 -11.478   0.738   6.168
  140    HE1  PHE  78           HE2      PHE  78 -12.472   3.315   2.048
  141    HE2  PHE  78           HE1      PHE  78 -13.057   2.648   6.252
  142    HZ   PHE  78           HZ       PHE  78 -13.555   3.937   4.192
  143    H    GLY  79           HN       GLY  79  -8.714  -2.533   2.824
  144   1HA   GLY  79           HA2      GLY  79  -6.382  -2.744   4.407
  145   2HA   GLY  79           HA1      GLY  79  -6.875  -3.935   3.201
  146    H    VAL  80           HN       VAL  80  -6.678  -2.501   0.852
  147    HA   VAL  80           HA       VAL  80  -3.909  -2.634   0.269
  148    HB   VAL  80           HB       VAL  80  -6.021  -0.996  -1.170
  149   1HG1  VAL  80          HG13      VAL  80  -3.309  -0.978  -1.568
  150   2HG1  VAL  80          HG12      VAL  80  -3.812  -2.278  -2.650
  151   3HG1  VAL  80          HG11      VAL  80  -4.500  -0.665  -2.831
  152   1HG2  VAL  80          HG22      VAL  80  -6.313  -3.586  -0.715
  153   2HG2  VAL  80          HG21      VAL  80  -6.644  -2.930  -2.316
  154   3HG2  VAL  80          HG23      VAL  80  -5.110  -3.739  -1.994
  155    H    MET  81           HN       MET  81  -5.955   0.213   0.959
  156    HA   MET  81           HA       MET  81  -3.913   2.174   0.744
  157   1HB   MET  81           HB2      MET  81  -6.287   2.114   2.637
  158   2HB   MET  81           HB1      MET  81  -5.338   3.545   2.232
  159   1HG   MET  81           HG2      MET  81  -6.184   2.204  -0.183
  160   2HG   MET  81           HG1      MET  81  -7.579   2.542   0.843
  161   1HE   MET  81           HE2      MET  81  -7.988   4.418   2.011
  162   2HE   MET  81           HE1      MET  81  -7.514   6.083   1.686
  163   3HE   MET  81           HE3      MET  81  -8.712   5.285   0.658
  164    H    ALA  82           HN       ALA  82  -5.004   0.280   3.558
  165    HA   ALA  82           HA       ALA  82  -3.197   1.362   5.447
  166   1HB   ALA  82           HB2      ALA  82  -4.920  -1.004   5.274
  167   2HB   ALA  82           HB1      ALA  82  -3.453  -1.295   6.212
  168   3HB   ALA  82           HB3      ALA  82  -4.543   0.014   6.660
  169    H    GLY  83           HN       GLY  83  -2.744  -1.465   3.255
  170   1HA   GLY  83           HA2      GLY  83  -0.163  -2.174   4.182
  171   2HA   GLY  83           HA1      GLY  83  -0.743  -2.455   2.539
  172    H    VAL  84           HN       VAL  84  -1.104   0.106   1.593
  173    HA   VAL  84           HA       VAL  84   1.515   0.891   0.846
  174    HB   VAL  84           HB       VAL  84  -0.994   2.596   0.917
  175   1HG1  VAL  84          HG13      VAL  84   1.676   2.867  -0.480
  176   2HG1  VAL  84          HG12      VAL  84   0.234   3.722  -1.028
  177   3HG1  VAL  84          HG11      VAL  84   0.885   4.033   0.582
  178   1HG2  VAL  84          HG22      VAL  84   0.131   0.609  -1.060
  179   2HG2  VAL  84          HG21      VAL  84  -1.507   0.704  -0.412
  180   3HG2  VAL  84          HG23      VAL  84  -0.951   1.901  -1.581
  181    H    ILE  85           HN       ILE  85  -0.644   2.307   3.334
  182    HA   ILE  85           HA       ILE  85   1.109   4.366   4.164
  183    HB   ILE  85           HB       ILE  85  -1.392   3.542   4.914
  184   1HG1  ILE  85          HG12      ILE  85  -0.063   5.260   6.908
  185   2HG1  ILE  85          HG11      ILE  85   0.206   5.745   5.233
  186   1HG2  ILE  85          HG23      ILE  85   0.460   2.982   7.253
  187   2HG2  ILE  85          HG22      ILE  85  -1.297   3.095   7.356
  188   3HG2  ILE  85          HG21      ILE  85  -0.551   1.799   6.425
  189   1HD1  ILE  85          HD12      ILE  85  -2.556   5.066   6.242
  190   2HD1  ILE  85          HD11      ILE  85  -1.888   6.689   6.419
  191   3HD1  ILE  85          HD13      ILE  85  -2.108   5.997   4.812
  192    H    GLY  86           HN       GLY  86   0.856   1.005   5.377
  193   1HA   GLY  86           HA2      GLY  86   2.867   1.189   7.362
  194   2HA   GLY  86           HA1      GLY  86   2.449  -0.297   6.505
  195    H    THR  87           HN       THR  87   3.154   0.315   3.908
  196    HA   THR  87           HA       THR  87   5.954  -0.127   3.875
  197    HB   THR  87           HB       THR  87   4.267   1.110   1.677
  198    HG1  THR  87           HG1      THR  87   3.545  -0.939   2.565
  199   1HG2  THR  87          HG22      THR  87   7.016  -0.072   1.829
  200   2HG2  THR  87          HG21      THR  87   6.077  -0.287   0.351
  201   3HG2  THR  87          HG23      THR  87   6.453   1.336   0.929
  202    H    ILE  88           HN       ILE  88   4.112   2.882   3.332
  203    HA   ILE  88           HA       ILE  88   6.318   4.589   2.849
  204    HB   ILE  88           HB       ILE  88   3.636   5.116   4.154
  205   1HG1  ILE  88          HG12      ILE  88   4.751   5.785   1.410
  206   2HG1  ILE  88          HG11      ILE  88   3.660   4.443   1.755
  207   1HG2  ILE  88          HG21      ILE  88   6.007   6.855   3.797
  208   2HG2  ILE  88          HG23      ILE  88   4.477   7.544   3.255
  209   3HG2  ILE  88          HG22      ILE  88   4.661   7.006   4.925
  210   1HD1  ILE  88          HD13      ILE  88   2.756   7.069   2.766
  211   2HD1  ILE  88          HD12      ILE  88   2.821   6.931   1.008
  212   3HD1  ILE  88          HD11      ILE  88   1.842   5.803   1.946
  213    H    LEU  89           HN       LEU  89   4.736   3.732   5.934
  214    HA   LEU  89           HA       LEU  89   6.375   5.315   7.614
  215   1HB   LEU  89           HB2      LEU  89   5.009   4.422   9.169
  216   2HB   LEU  89           HB1      LEU  89   4.346   3.357   7.938
  217    HG   LEU  89           HG       LEU  89   6.247   1.756   8.432
  218   1HD1  LEU  89          HD11      LEU  89   6.911   3.982  10.245
  219   2HD1  LEU  89          HD13      LEU  89   6.943   2.395  11.014
  220   3HD1  LEU  89          HD12      LEU  89   7.949   2.711   9.600
  221   1HD2  LEU  89          HD21      LEU  89   4.331   2.497  10.664
  222   2HD2  LEU  89          HD23      LEU  89   4.030   1.354   9.353
  223   3HD2  LEU  89          HD22      LEU  89   5.232   0.983  10.589
  224    H    LEU  90           HN       LEU  90   6.840   1.947   6.505
  225    HA   LEU  90           HA       LEU  90   9.283   1.459   7.876
  226   1HB   LEU  90           HB2      LEU  90   8.055  -0.314   6.678
  227   2HB   LEU  90           HB1      LEU  90   8.431   0.459   5.138
  228    HG   LEU  90           HG       LEU  90  10.920   0.270   6.255
  229   1HD1  LEU  90          HD13      LEU  90   9.945  -1.036   8.160
  230   2HD1  LEU  90          HD12      LEU  90   9.433  -2.265   7.004
  231   3HD1  LEU  90          HD11      LEU  90  11.151  -1.941   7.244
  232   1HD2  LEU  90          HD23      LEU  90  10.201  -0.386   3.957
  233   2HD2  LEU  90          HD22      LEU  90  11.268  -1.583   4.692
  234   3HD2  LEU  90          HD21      LEU  90   9.531  -1.878   4.621
  235    H    ILE  91           HN       ILE  91   8.737   2.838   4.622
  236    HA   ILE  91           HA       ILE  91  11.463   3.234   3.936
  237    HB   ILE  91           HB       ILE  91   9.029   4.903   3.223
  238   1HG1  ILE  91          HG12      ILE  91  10.462   2.809   1.572
  239   2HG1  ILE  91          HG11      ILE  91   9.088   2.420   2.607
  240   1HG2  ILE  91          HG21      ILE  91  11.901   5.046   2.448
  241   2HG2  ILE  91          HG23      ILE  91  10.721   5.232   1.152
  242   3HG2  ILE  91          HG22      ILE  91  10.694   6.329   2.533
  243   1HD1  ILE  91          HD11      ILE  91   8.072   4.553   1.293
  244   2HD1  ILE  91          HD13      ILE  91   9.165   3.935   0.054
  245   3HD1  ILE  91          HD12      ILE  91   7.898   2.898   0.710
  246    H    SER  92           HN       SER  92   9.208   5.440   5.630
  247    HA   SER  92           HA       SER  92  11.046   7.573   5.977
  248   1HB   SER  92           HB2      SER  92   8.869   6.652   7.881
  249   2HB   SER  92           HB1      SER  92   9.645   8.233   7.901
  250    HG   SER  92           HG       SER  92   7.536   7.824   6.673
  251    H    TYR  93           HN       TYR  93  10.372   4.758   8.077
  252    HA   TYR  93           HA       TYR  93  12.272   5.367  10.095
  253   1HB   TYR  93           HB2      TYR  93  10.497   3.453   9.969
  254   2HB   TYR  93           HB1      TYR  93  11.788   2.537   9.192
  255    HD1  TYR  93           HD1      TYR  93  14.189   2.927  10.436
  256    HD2  TYR  93           HD2      TYR  93  10.314   3.175  12.271
  257    HE1  TYR  93           HE1      TYR  93  15.210   2.484  12.652
  258    HE2  TYR  93           HE2      TYR  93  11.335   2.730  14.487
  259    HH   TYR  93           HH       TYR  93  13.248   1.899  15.494
  260    H    GLY  94           HN       GLY  94  12.673   3.435   7.100
  261   1HA   GLY  94           HA2      GLY  94  15.404   2.779   7.473
  262   2HA   GLY  94           HA1      GLY  94  14.624   2.934   5.896
  263    H    ILE  95           HN       ILE  95  13.927   5.592   5.842
  264    HA   ILE  95           HA       ILE  95  16.354   6.881   5.107
  265    HB   ILE  95           HB       ILE  95  13.577   7.883   5.721
  266   1HG1  ILE  95          HG12      ILE  95  14.722   8.658   3.196
  267   2HG1  ILE  95          HG11      ILE  95  14.975   6.930   3.440
  268   1HG2  ILE  95          HG23      ILE  95  16.069   9.449   5.706
  269   2HG2  ILE  95          HG22      ILE  95  14.852  10.041   4.576
  270   3HG2  ILE  95          HG21      ILE  95  14.465   9.894   6.290
  271   1HD1  ILE  95          HD11      ILE  95  12.284   7.990   4.141
  272   2HD1  ILE  95          HD13      ILE  95  12.687   7.929   2.425
  273   3HD1  ILE  95          HD12      ILE  95  12.730   6.456   3.392
  274    H    ARG  96           HN       ARG  96  14.422   7.182   8.095
  275    HA   ARG  96           HA       ARG  96  16.067   9.070   9.424
  276   1HB   ARG  96           HB2      ARG  96  14.272   6.858  10.421
  277   2HB   ARG  96           HB1      ARG  96  15.182   7.871  11.541
  278   1HG   ARG  96           HG2      ARG  96  14.117   9.770   9.905
  279   2HG   ARG  96           HG1      ARG  96  12.843   8.550   9.861
  280   1HD   ARG  96           HD2      ARG  96  13.859   8.920  12.561
  281   2HD   ARG  96           HD1      ARG  96  13.264  10.437  11.885
  282    HE   ARG  96           HE       ARG  96  11.271   8.616  11.266
  283   1HH1  ARG  96          HH11      ARG  96  12.534   7.453  13.892
  284   2HH1  ARG  96          HH12      ARG  96  11.399   8.062  15.050
  285   1HH2  ARG  96          HH21      ARG  96   9.974  10.333  12.852
  286   2HH2  ARG  96          HH22      ARG  96   9.950   9.693  14.461
  287    H    ARG  97           HN       ARG  97  16.233   5.502   9.458
  288    HA   ARG  97           HA       ARG  97  18.430   5.294  11.222
  289   1HB   ARG  97           HB2      ARG  97  17.187   3.313  10.585
  290   2HB   ARG  97           HB1      ARG  97  17.623   3.534   8.891
  291   1HG   ARG  97           HG2      ARG  97  19.769   2.762   9.197
  292   2HG   ARG  97           HG1      ARG  97  19.857   3.354  10.857
  293   1HD   ARG  97           HD2      ARG  97  17.918   1.498  11.154
  294   2HD   ARG  97           HD1      ARG  97  18.816   0.768   9.821
  295    HE   ARG  97           HE       ARG  97  20.787   1.451  11.641
  296   1HH1  ARG  97          HH21      ARG  97  18.908  -1.163  10.953
  297   2HH1  ARG  97          HH22      ARG  97  18.952  -1.874  12.532
  298   1HH2  ARG  97          HH11      ARG  97  20.388   0.904  14.031
  299   2HH2  ARG  97          HH12      ARG  97  19.790  -0.704  14.274
  300    H    LEU  98           HN       LEU  98  18.420   5.562   7.662
  301    HA   LEU  98           HA       LEU  98  21.226   5.449   7.317
  302   1HB   LEU  98           HB2      LEU  98  20.740   5.798   5.132
  303   2HB   LEU  98           HB1      LEU  98  19.058   5.732   5.639
  304    HG   LEU  98           HG       LEU  98  19.227   8.260   6.029
  305   1HD1  LEU  98          HD11      LEU  98  21.923   7.782   5.567
  306   2HD1  LEU  98          HD13      LEU  98  21.370   8.479   4.045
  307   3HD1  LEU  98          HD12      LEU  98  21.148   9.365   5.553
  308   1HD2  LEU  98          HD22      LEU  98  18.272   6.969   3.977
  309   2HD2  LEU  98          HD21      LEU  98  18.590   8.696   3.810
  310   3HD2  LEU  98          HD23      LEU  98  19.731   7.522   3.155
  311    H    ILE  99           HN       ILE  99  19.140   8.286   7.871
  312    HA   ILE  99           HA       ILE  99  21.436  10.085   7.949
  313    HB   ILE  99           HB       ILE  99  19.585  11.651   8.997
  314   1HG1  ILE  99          HG12      ILE  99  17.649  10.025   7.469
  315   2HG1  ILE  99          HG11      ILE  99  18.148   9.314   9.002
  316   1HG2  ILE  99          HG22      ILE  99  20.317  10.861   6.309
  317   2HG2  ILE  99          HG21      ILE  99  18.631  11.374   6.366
  318   3HG2  ILE  99          HG23      ILE  99  19.903  12.460   6.924
  319   1HD1  ILE  99          HD13      ILE  99  17.579  12.202   9.140
  320   2HD1  ILE  99          HD12      ILE  99  16.180  11.205   8.742
  321   3HD1  ILE  99          HD11      ILE  99  17.083  10.904  10.226
  322    H    LYS 100           HN       LYS 100  18.999   9.900  10.538
  323    HA   LYS 100           HA       LYS 100  21.215  10.091  12.494
  324   1HB   LYS 100           HB2      LYS 100  18.228  10.505  12.659
  325   2HB   LYS 100           HB1      LYS 100  19.227  10.400  14.109
  326   1HG   LYS 100           HG2      LYS 100  20.590  12.156  12.376
  327   2HG   LYS 100           HG1      LYS 100  18.893  12.629  12.295
  328   1HD   LYS 100           HD2      LYS 100  19.586  12.046  15.027
  329   2HD   LYS 100           HD1      LYS 100  20.743  13.201  14.364
  330   1HE   LYS 100           HE2      LYS 100  18.688  14.460  13.447
  331   2HE   LYS 100           HE1      LYS 100  17.744  13.464  14.553
  332   1HZ   LYS 100           HZ1      LYS 100  19.813  14.351  16.077
  333   2HZ   LYS 100           HZ3      LYS 100  19.444  15.697  15.114
  334   3HZ   LYS 100           HZ2      LYS 100  18.237  14.986  16.076
  335    H    LYS 101           HN       LYS 101  21.901   8.324  13.581
  336    HA   LYS 101           HA       LYS 101  20.232   6.336  14.720
  337   1HB   LYS 101           HB2      LYS 101  19.916   5.815  12.233
  338   2HB   LYS 101           HB1      LYS 101  21.607   5.312  12.227
  339   1HG   LYS 101           HG2      LYS 101  20.411   3.313  12.648
  340   2HG   LYS 101           HG1      LYS 101  20.976   3.822  14.240
  341   1HD   LYS 101           HD2      LYS 101  18.384   4.985  13.471
  342   2HD   LYS 101           HD1      LYS 101  18.360   3.228  13.626
  343   1HE   LYS 101           HE2      LYS 101  18.842   3.281  15.883
  344   2HE   LYS 101           HE1      LYS 101  19.755   4.785  15.759
  345   1HZ   LYS 101           HZ2      LYS 101  17.316   5.602  15.058
  346   2HZ   LYS 101           HZ1      LYS 101  16.915   4.370  16.157
  347   3HZ   LYS 101           HZ3      LYS 101  17.905   5.655  16.651
  348   1H    VAL  62           HT3      VAL  62   6.935 -21.326   2.816
  349   2H    VAL  62           HT2      VAL  62   7.336 -20.561   4.280
  350   3H    VAL  62           HT1      VAL  62   7.843 -22.154   3.983
  351    HA   VAL  62           HA       VAL  62   6.057 -22.781   5.136
  352    HB   VAL  62           HB       VAL  62   4.173 -21.199   5.580
  353   1HG1  VAL  62          HG12      VAL  62   6.817 -21.099   6.505
  354   2HG1  VAL  62          HG11      VAL  62   6.392 -19.417   6.183
  355   3HG1  VAL  62          HG13      VAL  62   5.407 -20.380   7.283
  356   1HG2  VAL  62          HG22      VAL  62   5.414 -19.851   3.328
  357   2HG2  VAL  62          HG21      VAL  62   3.845 -19.548   4.076
  358   3HG2  VAL  62          HG23      VAL  62   5.292 -18.767   4.713
  359    H    GLN  63           HN       GLN  63   3.631 -23.269   4.678
  360    HA   GLN  63           HA       GLN  63   3.206 -23.383   1.717
  361   1HB   GLN  63           HB2      GLN  63   1.926 -25.574   2.355
  362   2HB   GLN  63           HB1      GLN  63   3.686 -25.617   2.253
  363   1HG   GLN  63           HG2      GLN  63   3.064 -26.705   4.312
  364   2HG   GLN  63           HG1      GLN  63   3.751 -25.137   4.736
  365   1HE2  GLN  63          HE22      GLN  63   0.823 -24.116   6.385
  366   2HE2  GLN  63          HE21      GLN  63   2.498 -23.944   6.174
  367    H    LEU  64           HN       LEU  64   0.968 -23.316   1.050
  368    HA   LEU  64           HA       LEU  64  -0.713 -21.759   2.905
  369   1HB   LEU  64           HB2      LEU  64  -0.446 -22.013   0.050
  370   2HB   LEU  64           HB1      LEU  64  -2.119 -22.331   0.514
  371    HG   LEU  64           HG       LEU  64  -1.904 -20.212   1.984
  372   1HD1  LEU  64          HD12      LEU  64   0.712 -20.332   1.276
  373   2HD1  LEU  64          HD11      LEU  64   0.106 -19.243   0.028
  374   3HD1  LEU  64          HD13      LEU  64  -0.097 -18.833   1.731
  375   1HD2  LEU  64          HD23      LEU  64  -1.883 -20.094  -1.047
  376   2HD2  LEU  64          HD22      LEU  64  -3.296 -20.247  -0.004
  377   3HD2  LEU  64          HD21      LEU  64  -2.366 -18.750  -0.013
  378    H    ALA  65           HN       ALA  65  -1.450 -23.302   4.442
  379    HA   ALA  65           HA       ALA  65  -3.219 -25.420   3.292
  380   1HB   ALA  65           HB1      ALA  65  -1.374 -25.509   5.684
  381   2HB   ALA  65           HB3      ALA  65  -2.707 -26.647   5.498
  382   3HB   ALA  65           HB2      ALA  65  -1.415 -26.599   4.299
  383    H    HIS  66           HN       HIS  66  -3.562 -22.540   4.416
  384    HA   HIS  66           HA       HIS  66  -6.163 -22.779   5.424
  385   1HB   HIS  66           HB2      HIS  66  -4.133 -23.484   7.387
  386   2HB   HIS  66           HB1      HIS  66  -5.096 -22.109   7.925
  387    HD1  HIS  66           HD1      HIS  66  -5.361 -24.973   9.200
  388    HD2  HIS  66           HD2      HIS  66  -7.849 -23.453   6.221
  389    HE1  HIS  66           HE1      HIS  66  -7.531 -26.273   9.346
  390    H    HIS  67           HN       HIS  67  -7.039 -20.716   5.737
  391    HA   HIS  67           HA       HIS  67  -5.116 -18.453   5.987
  392   1HB   HIS  67           HB2      HIS  67  -6.641 -19.145   3.638
  393   2HB   HIS  67           HB1      HIS  67  -7.187 -17.588   4.263
  394    HD1  HIS  67           HD1      HIS  67  -3.738 -19.217   3.930
  395    HD2  HIS  67           HD2      HIS  67  -5.666 -15.617   3.088
  396    HE1  HIS  67           HE1      HIS  67  -1.990 -17.685   2.925
  397    H    PHE  68           HN       PHE  68  -5.971 -18.448   8.210
  398    HA   PHE  68           HA       PHE  68  -7.482 -17.766   9.879
  399   1HB   PHE  68           HB2      PHE  68  -8.199 -15.831   7.653
  400   2HB   PHE  68           HB1      PHE  68  -8.662 -15.641   9.345
  401    HD1  PHE  68           HD2      PHE  68  -6.219 -16.599  10.727
  402    HD2  PHE  68           HD1      PHE  68  -6.657 -14.077   7.277
  403    HE1  PHE  68           HE2      PHE  68  -4.024 -15.552  11.213
  404    HE2  PHE  68           HE1      PHE  68  -4.462 -13.031   7.763
  405    HZ   PHE  68           HZ       PHE  68  -3.145 -13.769   9.731
  406    H    SER  69           HN       SER  69 -10.060 -16.915   9.900
  407    HA   SER  69           HA       SER  69 -11.558 -18.958   8.313
  408   1HB   SER  69           HB2      SER  69 -12.669 -18.312  10.964
  409   2HB   SER  69           HB1      SER  69 -12.496 -19.874  10.168
  410    HG   SER  69           HG       SER  69 -10.170 -19.584  10.638
  411    H    GLU  70           HN       GLU  70 -11.114 -15.751   8.811
  412    HA   GLU  70           HA       GLU  70 -14.004 -15.118   8.380
  413   1HB   GLU  70           HB2      GLU  70 -12.068 -14.002  10.168
  414   2HB   GLU  70           HB1      GLU  70 -12.510 -12.765   8.991
  415   1HG   GLU  70           HG2      GLU  70 -14.485 -12.460  10.020
  416   2HG   GLU  70           HG1      GLU  70 -14.886 -14.161   9.784
  417    HA   PRO  71           HA       PRO  71 -12.463 -14.281   4.248
  418   1HB   PRO  71           HB2      PRO  71 -15.045 -13.194   3.588
  419   2HB   PRO  71           HB1      PRO  71 -14.365 -14.754   3.109
  420   1HG   PRO  71           HG2      PRO  71 -16.461 -14.270   5.024
  421   2HG   PRO  71           HG1      PRO  71 -15.763 -15.825   4.553
  422   1HD   PRO  71           HD2      PRO  71 -15.397 -14.408   7.038
  423   2HD   PRO  71           HD1      PRO  71 -14.702 -15.969   6.560
  424    H    GLU  72           HN       GLU  72 -14.151 -12.046   6.386
  425    HA   GLU  72           HA       GLU  72 -13.740  -9.664   4.855
  426   1HB   GLU  72           HB2      GLU  72 -13.991  -8.490   7.072
  427   2HB   GLU  72           HB1      GLU  72 -15.294  -9.621   6.707
  428   1HG   GLU  72           HG2      GLU  72 -13.609 -11.296   7.989
  429   2HG   GLU  72           HG1      GLU  72 -13.167  -9.783   8.780
  430    H    ILE  73           HN       ILE  73 -11.805 -10.971   7.595
  431    HA   ILE  73           HA       ILE  73  -9.730  -9.019   7.300
  432    HB   ILE  73           HB       ILE  73 -10.195 -10.502   9.327
  433   1HG1  ILE  73          HG12      ILE  73  -7.711 -10.779   9.783
  434   2HG1  ILE  73          HG11      ILE  73  -7.435 -10.235   8.127
  435   1HG2  ILE  73          HG23      ILE  73  -8.749 -12.480   7.539
  436   2HG2  ILE  73          HG22      ILE  73  -8.948 -12.690   9.279
  437   3HG2  ILE  73          HG21      ILE  73 -10.363 -12.654   8.228
  438   1HD1  ILE  73          HD11      ILE  73  -9.270  -8.406   9.220
  439   2HD1  ILE  73          HD13      ILE  73  -8.056  -8.659  10.474
  440   3HD1  ILE  73          HD12      ILE  73  -7.565  -8.114   8.869
  441    H    THR  74           HN       THR  74 -10.349 -12.156   5.833
  442    HA   THR  74           HA       THR  74  -7.760 -12.604   4.716
  443    HB   THR  74           HB       THR  74 -10.506 -13.417   3.713
  444    HG1  THR  74           HG1      THR  74  -9.993 -14.315   5.689
  445   1HG2  THR  74          HG23      THR  74  -8.684 -13.401   1.959
  446   2HG2  THR  74          HG22      THR  74  -7.816 -14.574   2.949
  447   3HG2  THR  74          HG21      THR  74  -9.389 -14.987   2.271
  448    H    LEU  75           HN       LEU  75 -10.639 -10.965   3.367
  449    HA   LEU  75           HA       LEU  75  -9.318 -10.241   0.900
  450   1HB   LEU  75           HB2      LEU  75 -11.888  -9.582   2.229
  451   2HB   LEU  75           HB1      LEU  75 -11.253  -8.329   1.170
  452    HG   LEU  75           HG       LEU  75 -11.890 -11.198   0.447
  453   1HD1  LEU  75          HD12      LEU  75 -12.919  -8.475  -0.380
  454   2HD1  LEU  75          HD11      LEU  75 -13.248  -9.934  -1.317
  455   3HD1  LEU  75          HD13      LEU  75 -13.827  -9.804   0.344
  456   1HD2  LEU  75          HD22      LEU  75 -10.075  -9.207  -0.823
  457   2HD2  LEU  75          HD21      LEU  75 -10.030 -10.968  -0.888
  458   3HD2  LEU  75          HD23      LEU  75 -11.165 -10.077  -1.902
  459    H    ILE  76           HN       ILE  76  -9.954  -8.431   3.926
  460    HA   ILE  76           HA       ILE  76  -8.746  -6.002   3.099
  461    HB   ILE  76           HB       ILE  76  -8.881  -7.320   5.827
  462   1HG1  ILE  76          HG12      ILE  76 -10.367  -4.897   4.798
  463   2HG1  ILE  76          HG11      ILE  76 -10.993  -6.536   4.604
  464   1HG2  ILE  76          HG21      ILE  76  -7.677  -4.725   4.922
  465   2HG2  ILE  76          HG23      ILE  76  -8.485  -4.791   6.489
  466   3HG2  ILE  76          HG22      ILE  76  -7.111  -5.847   6.161
  467   1HD1  ILE  76          HD11      ILE  76 -10.059  -6.051   7.322
  468   2HD1  ILE  76          HD13      ILE  76 -11.319  -4.914   6.851
  469   3HD1  ILE  76          HD12      ILE  76 -11.623  -6.648   6.770
  470    H    ILE  77           HN       ILE  77  -7.278  -8.842   4.712
  471    HA   ILE  77           HA       ILE  77  -4.621  -7.845   4.799
  472    HB   ILE  77           HB       ILE  77  -5.719 -10.655   4.567
  473   1HG1  ILE  77          HG12      ILE  77  -6.051  -9.257   6.666
  474   2HG1  ILE  77          HG11      ILE  77  -5.192 -10.779   6.912
  475   1HG2  ILE  77          HG22      ILE  77  -2.879  -9.662   4.623
  476   2HG2  ILE  77          HG21      ILE  77  -3.289 -11.199   5.382
  477   3HG2  ILE  77          HG23      ILE  77  -3.581 -10.962   3.660
  478   1HD1  ILE  77          HD11      ILE  77  -3.550  -8.375   6.262
  479   2HD1  ILE  77          HD13      ILE  77  -4.255  -8.462   7.876
  480   3HD1  ILE  77          HD12      ILE  77  -3.178  -9.740   7.314
  481    H    PHE  78           HN       PHE  78  -6.249  -9.777   2.264
  482    HA   PHE  78           HA       PHE  78  -4.043  -9.946   0.486
  483   1HB   PHE  78           HB2      PHE  78  -6.963 -10.282   0.273
  484   2HB   PHE  78           HB1      PHE  78  -6.198  -9.742  -1.220
  485    HD1  PHE  78           HD1      PHE  78  -5.305 -12.098   1.574
  486    HD2  PHE  78           HD2      PHE  78  -5.618 -11.462  -2.664
  487    HE1  PHE  78           HE1      PHE  78  -4.458 -14.394   1.165
  488    HE2  PHE  78           HE2      PHE  78  -4.771 -13.757  -3.071
  489    HZ   PHE  78           HZ       PHE  78  -4.192 -15.223  -1.157
  490    H    GLY  79           HN       GLY  79  -6.624  -7.481   0.654
  491   1HA   GLY  79           HA2      GLY  79  -5.713  -5.865  -1.487
  492   2HA   GLY  79           HA1      GLY  79  -6.625  -5.264  -0.100
  493    H    VAL  80           HN       VAL  80  -4.898  -5.735   1.976
  494    HA   VAL  80           HA       VAL  80  -3.134  -3.525   1.885
  495    HB   VAL  80           HB       VAL  80  -2.848  -5.983   3.638
  496   1HG1  VAL  80          HG13      VAL  80  -1.069  -4.042   3.478
  497   2HG1  VAL  80          HG12      VAL  80  -2.248  -3.158   4.446
  498   3HG1  VAL  80          HG11      VAL  80  -1.558  -4.662   5.054
  499   1HG2  VAL  80          HG22      VAL  80  -5.149  -4.603   3.436
  500   2HG2  VAL  80          HG21      VAL  80  -4.566  -5.224   4.978
  501   3HG2  VAL  80          HG23      VAL  80  -4.297  -3.536   4.549
  502    H    MET  81           HN       MET  81  -2.419  -7.004   1.483
  503    HA   MET  81           HA       MET  81   0.377  -6.755   1.112
  504   1HB   MET  81           HB2      MET  81  -1.557  -8.721  -0.152
  505   2HB   MET  81           HB1      MET  81   0.197  -8.903  -0.140
  506   1HG   MET  81           HG2      MET  81  -0.343  -8.416   2.514
  507   2HG   MET  81           HG1      MET  81  -1.748  -9.361   2.021
  508   1HE   MET  81           HE3      MET  81  -1.589 -11.464   0.581
  509   2HE   MET  81           HE2      MET  81  -0.640 -12.773   1.283
  510   3HE   MET  81           HE1      MET  81  -1.734 -11.841   2.303
  511    H    ALA  82           HN       ALA  82  -2.244  -6.671  -1.316
  512    HA   ALA  82           HA       ALA  82  -0.590  -6.315  -3.586
  513   1HB   ALA  82           HB1      ALA  82  -3.433  -5.992  -2.966
  514   2HB   ALA  82           HB3      ALA  82  -2.866  -4.822  -4.162
  515   3HB   ALA  82           HB2      ALA  82  -2.661  -6.547  -4.449
  516    H    GLY  83           HN       GLY  83  -2.035  -3.813  -1.435
  517   1HA   GLY  83           HA2      GLY  83  -1.045  -1.562  -2.841
  518   2HA   GLY  83           HA1      GLY  83  -1.373  -1.590  -1.108
  519    H    VAL  84           HN       VAL  84   0.462  -3.432  -0.191
  520    HA   VAL  84           HA       VAL  84   2.846  -1.917   0.012
  521    HB   VAL  84           HB       VAL  84   2.337  -4.872   0.432
  522   1HG1  VAL  84          HG12      VAL  84   4.779  -3.191   1.067
  523   2HG1  VAL  84          HG11      VAL  84   4.485  -4.797   1.736
  524   3HG1  VAL  84          HG13      VAL  84   4.708  -4.592  -0.002
  525   1HG2  VAL  84          HG21      VAL  84   1.700  -2.519   1.903
  526   2HG2  VAL  84          HG23      VAL  84   1.482  -4.195   2.403
  527   3HG2  VAL  84          HG22      VAL  84   2.983  -3.351   2.781
  528    H    ILE  85           HN       ILE  85   2.158  -4.761  -2.050
  529    HA   ILE  85           HA       ILE  85   4.700  -4.934  -3.279
  530    HB   ILE  85           HB       ILE  85   1.950  -5.560  -4.385
  531   1HG1  ILE  85          HG12      ILE  85   4.098  -7.447  -3.394
  532   2HG1  ILE  85          HG11      ILE  85   2.870  -6.779  -2.319
  533   1HG2  ILE  85          HG21      ILE  85   4.678  -5.755  -5.553
  534   2HG2  ILE  85          HG23      ILE  85   3.628  -7.153  -5.777
  535   3HG2  ILE  85          HG22      ILE  85   3.121  -5.568  -6.358
  536   1HD1  ILE  85          HD13      ILE  85   1.178  -7.627  -4.113
  537   2HD1  ILE  85          HD12      ILE  85   2.515  -8.640  -4.658
  538   3HD1  ILE  85          HD11      ILE  85   1.900  -8.801  -3.013
  539    H    GLY  86           HN       GLY  86   1.824  -3.063  -4.326
  540   1HA   GLY  86           HA2      GLY  86   2.960  -1.981  -6.681
  541   2HA   GLY  86           HA1      GLY  86   1.701  -1.189  -5.733
  542    H    THR  87           HN       THR  87   3.000  -0.675  -3.348
  543    HA   THR  87           HA       THR  87   4.467   1.684  -3.918
  544    HB   THR  87           HB       THR  87   4.634  -0.027  -1.417
  545    HG1  THR  87           HG1      THR  87   2.506   0.552  -1.933
  546   1HG2  THR  87          HG21      THR  87   5.330   2.844  -2.048
  547   2HG2  THR  87          HG23      THR  87   5.045   2.288  -0.398
  548   3HG2  THR  87          HG22      THR  87   6.367   1.603  -1.344
  549    H    ILE  88           HN       ILE  88   5.640  -1.561  -3.005
  550    HA   ILE  88           HA       ILE  88   8.414  -0.984  -3.032
  551    HB   ILE  88           HB       ILE  88   6.924  -3.525  -3.744
  552   1HG1  ILE  88          HG12      ILE  88   8.340  -2.559  -1.239
  553   2HG1  ILE  88          HG11      ILE  88   6.602  -2.778  -1.439
  554   1HG2  ILE  88          HG22      ILE  88   9.695  -2.849  -4.103
  555   2HG2  ILE  88          HG21      ILE  88   9.558  -4.053  -2.823
  556   3HG2  ILE  88          HG23      ILE  88   8.890  -4.385  -4.420
  557   1HD1  ILE  88          HD11      ILE  88   8.023  -5.190  -2.187
  558   2HD1  ILE  88          HD13      ILE  88   8.446  -4.702  -0.545
  559   3HD1  ILE  88          HD12      ILE  88   6.758  -4.976  -0.977
  560    H    LEU  89           HN       LEU  89   6.304  -2.108  -5.682
  561    HA   LEU  89           HA       LEU  89   8.295  -2.260  -7.685
  562   1HB   LEU  89           HB2      LEU  89   6.477  -3.017  -8.782
  563   2HB   LEU  89           HB1      LEU  89   5.422  -2.366  -7.534
  564    HG   LEU  89           HG       LEU  89   5.563  -0.129  -8.688
  565   1HD1  LEU  89          HD11      LEU  89   7.467  -1.660 -10.289
  566   2HD1  LEU  89          HD13      LEU  89   6.241  -0.875 -11.285
  567   3HD1  LEU  89          HD12      LEU  89   7.237   0.087 -10.192
  568   1HD2  LEU  89          HD23      LEU  89   4.438  -2.571 -10.060
  569   2HD2  LEU  89          HD22      LEU  89   3.584  -1.349  -9.117
  570   3HD2  LEU  89          HD21      LEU  89   4.189  -0.957 -10.727
  571    H    LEU  90           HN       LEU  90   6.239   0.506  -6.743
  572    HA   LEU  90           HA       LEU  90   7.231   2.354  -8.664
  573   1HB   LEU  90           HB2      LEU  90   5.484   2.494  -6.485
  574   2HB   LEU  90           HB1      LEU  90   6.795   3.591  -6.054
  575    HG   LEU  90           HG       LEU  90   5.116   4.824  -7.312
  576   1HD1  LEU  90          HD13      LEU  90   7.827   4.344  -8.337
  577   2HD1  LEU  90          HD12      LEU  90   6.726   5.000  -9.547
  578   3HD1  LEU  90          HD11      LEU  90   6.993   5.869  -8.037
  579   1HD2  LEU  90          HD22      LEU  90   5.078   2.360  -8.859
  580   2HD2  LEU  90          HD21      LEU  90   3.888   3.660  -8.808
  581   3HD2  LEU  90          HD23      LEU  90   5.263   3.768  -9.906
  582    H    ILE  91           HN       ILE  91   8.424   1.654  -5.365
  583    HA   ILE  91           HA       ILE  91  10.578   3.503  -5.372
  584    HB   ILE  91           HB       ILE  91  10.515   0.758  -4.078
  585   1HG1  ILE  91          HG12      ILE  91   9.720   3.432  -2.890
  586   2HG1  ILE  91          HG11      ILE  91   8.555   2.297  -3.574
  587   1HG2  ILE  91          HG22      ILE  91  12.271   3.174  -3.849
  588   2HG2  ILE  91          HG21      ILE  91  11.940   2.237  -2.392
  589   3HG2  ILE  91          HG23      ILE  91  12.705   1.466  -3.781
  590   1HD1  ILE  91          HD12      ILE  91  10.430   1.041  -1.697
  591   2HD1  ILE  91          HD11      ILE  91   9.429   2.288  -0.954
  592   3HD1  ILE  91          HD13      ILE  91   8.673   0.924  -1.777
  593    H    SER  92           HN       SER  92  10.532   0.084  -6.449
  594    HA   SER  92           HA       SER  92  13.266  -0.054  -7.187
  595   1HB   SER  92           HB2      SER  92  11.072  -1.374  -8.787
  596   2HB   SER  92           HB1      SER  92  12.695  -1.973  -8.452
  597    HG   SER  92           HG       SER  92  12.103  -2.261  -6.307
  598    H    TYR  93           HN       TYR  93  10.428   0.935  -9.141
  599    HA   TYR  93           HA       TYR  93  11.855   1.531 -11.523
  600   1HB   TYR  93           HB2      TYR  93   9.262   1.583 -10.945
  601   2HB   TYR  93           HB1      TYR  93   9.587   3.297 -10.687
  602    HD1  TYR  93           HD2      TYR  93  10.476   0.606 -13.154
  603    HD2  TYR  93           HD1      TYR  93   9.351   4.703 -12.526
  604    HE1  TYR  93           HE2      TYR  93  10.465   0.979 -15.605
  605    HE2  TYR  93           HE1      TYR  93   9.341   5.077 -14.977
  606    HH   TYR  93           HH       TYR  93  10.784   3.514 -17.078
  607    H    GLY  94           HN       GLY  94  11.066   3.643  -8.744
  608   1HA   GLY  94           HA2      GLY  94  12.305   6.000  -9.709
  609   2HA   GLY  94           HA1      GLY  94  12.112   5.604  -8.000
  610    H    ILE  95           HN       ILE  95  13.657   3.340  -7.749
  611    HA   ILE  95           HA       ILE  95  16.289   4.386  -7.498
  612    HB   ILE  95           HB       ILE  95  15.125   1.614  -7.449
  613   1HG1  ILE  95          HG12      ILE  95  17.001   2.531  -5.376
  614   2HG1  ILE  95          HG11      ILE  95  15.590   3.572  -5.559
  615   1HG2  ILE  95          HG23      ILE  95  18.060   2.300  -7.669
  616   2HG2  ILE  95          HG22      ILE  95  17.506   0.826  -6.875
  617   3HG2  ILE  95          HG21      ILE  95  17.149   1.096  -8.580
  618   1HD1  ILE  95          HD12      ILE  95  14.167   1.468  -5.464
  619   2HD1  ILE  95          HD11      ILE  95  15.626   0.598  -4.991
  620   3HD1  ILE  95          HD13      ILE  95  14.992   1.883  -3.961
  621    H    ARG  96           HN       ARG  96  14.912   2.289 -10.052
  622    HA   ARG  96           HA       ARG  96  17.258   2.031 -11.617
  623   1HB   ARG  96           HB2      ARG  96  14.402   2.274 -12.611
  624   2HB   ARG  96           HB1      ARG  96  15.753   1.565 -13.495
  625   1HG   ARG  96           HG2      ARG  96  15.735   0.269 -10.997
  626   2HG   ARG  96           HG1      ARG  96  14.046   0.346 -11.501
  627   1HD   ARG  96           HD2      ARG  96  16.268  -0.591 -13.330
  628   2HD   ARG  96           HD1      ARG  96  15.320  -1.691 -12.328
  629    HE   ARG  96           HE       ARG  96  13.406  -0.235 -13.705
  630   1HH1  ARG  96          HH21      ARG  96  15.229  -2.988 -14.095
  631   2HH1  ARG  96          HH22      ARG  96  15.039  -3.103 -15.813
  632   1HH2  ARG  96          HH11      ARG  96  13.565   0.021 -16.123
  633   2HH2  ARG  96          HH12      ARG  96  14.096  -1.399 -16.961
  634    H    ARG  97           HN       ARG  97  14.698   4.516 -11.772
  635    HA   ARG  97           HA       ARG  97  15.786   6.023 -13.904
  636   1HB   ARG  97           HB2      ARG  97  13.540   6.449 -13.021
  637   2HB   ARG  97           HB1      ARG  97  14.228   6.992 -11.490
  638   1HG   ARG  97           HG2      ARG  97  15.185   8.924 -12.475
  639   2HG   ARG  97           HG1      ARG  97  14.982   8.290 -14.108
  640   1HD   ARG  97           HD2      ARG  97  12.401   8.274 -13.058
  641   2HD   ARG  97           HD1      ARG  97  13.093   9.779 -12.457
  642    HE   ARG  97           HE       ARG  97  13.784   9.742 -15.146
  643   1HH1  ARG  97          HH11      ARG  97  10.855   9.260 -13.382
  644   2HH1  ARG  97          HH12      ARG  97   9.863  10.041 -14.566
  645   1HH2  ARG  97          HH21      ARG  97  12.509  10.843 -16.653
  646   2HH2  ARG  97          HH22      ARG  97  10.796  10.936 -16.414
  647    H    LEU  98           HN       LEU  98  16.349   6.355 -10.395
  648    HA   LEU  98           HA       LEU  98  18.100   8.574 -10.510
  649   1HB   LEU  98           HB2      LEU  98  17.421   6.491  -8.579
  650   2HB   LEU  98           HB1      LEU  98  19.118   6.961  -8.475
  651    HG   LEU  98           HG       LEU  98  17.198   9.197  -8.765
  652   1HD1  LEU  98          HD13      LEU  98  16.268   7.337  -7.107
  653   2HD1  LEU  98          HD12      LEU  98  17.470   8.032  -6.020
  654   3HD1  LEU  98          HD11      LEU  98  16.189   9.047  -6.684
  655   1HD2  LEU  98          HD22      LEU  98  19.712   8.546  -7.236
  656   2HD2  LEU  98          HD21      LEU  98  19.438   9.827  -8.417
  657   3HD2  LEU  98          HD23      LEU  98  18.743   9.955  -6.801
  658    H    ILE  99           HN       ILE  99  18.847   5.091 -10.684
  659    HA   ILE  99           HA       ILE  99  21.684   5.522 -11.093
  660    HB   ILE  99           HB       ILE  99  21.698   3.115 -11.700
  661   1HG1  ILE  99          HG12      ILE  99  18.690   3.306 -11.347
  662   2HG1  ILE  99          HG11      ILE  99  19.493   3.203 -12.913
  663   1HG2  ILE  99          HG23      ILE  99  20.205   4.076  -9.270
  664   2HG2  ILE  99          HG22      ILE  99  20.440   2.348  -9.534
  665   3HG2  ILE  99          HG21      ILE  99  21.837   3.413  -9.378
  666   1HD1  ILE  99          HD12      ILE  99  20.550   1.145 -11.222
  667   2HD1  ILE  99          HD11      ILE  99  18.788   1.062 -11.168
  668   3HD1  ILE  99          HD13      ILE  99  19.629   0.967 -12.715
  669    H    LYS 100           HN       LYS 100  18.903   5.655 -13.127
  670    HA   LYS 100           HA       LYS 100  20.697   5.756 -15.520
  671   1HB   LYS 100           HB2      LYS 100  18.426   4.082 -15.019
  672   2HB   LYS 100           HB1      LYS 100  18.015   5.204 -16.316
  673   1HG   LYS 100           HG2      LYS 100  20.659   3.767 -16.339
  674   2HG   LYS 100           HG1      LYS 100  19.205   2.965 -16.935
  675   1HD   LYS 100           HD2      LYS 100  18.838   5.102 -18.343
  676   2HD   LYS 100           HD1      LYS 100  20.525   5.470 -17.978
  677   1HE   LYS 100           HE2      LYS 100  20.975   4.205 -19.814
  678   2HE   LYS 100           HE1      LYS 100  20.692   2.840 -18.735
  679   1HZ   LYS 100           HZ1      LYS 100  18.487   4.149 -20.207
  680   2HZ   LYS 100           HZ3      LYS 100  19.396   2.892 -20.895
  681   3HZ   LYS 100           HZ2      LYS 100  18.504   2.616 -19.475
  682    H    LYS 101           HN       LYS 101  20.527   8.107 -14.379
  683    HA   LYS 101           HA       LYS 101  19.790  10.324 -14.634
  684   1HB   LYS 101           HB2      LYS 101  19.654   9.046 -17.197
  685   2HB   LYS 101           HB1      LYS 101  18.274  10.133 -17.042
  686   1HG   LYS 101           HG2      LYS 101  21.137  10.928 -16.439
  687   2HG   LYS 101           HG1      LYS 101  20.322  11.250 -17.970
  688   1HD   LYS 101           HD2      LYS 101  18.725  12.685 -16.938
  689   2HD   LYS 101           HD1      LYS 101  19.172  12.140 -15.321
  690   1HE   LYS 101           HE2      LYS 101  20.867  13.626 -15.189
  691   2HE   LYS 101           HE1      LYS 101  21.462  13.193 -16.792
  692   1HZ   LYS 101           HZ3      LYS 101  19.202  14.514 -17.374
  693   2HZ   LYS 101           HZ2      LYS 101  19.719  15.351 -15.990
  694   3HZ   LYS 101           HZ1      LYS 101  20.742  15.224 -17.341
   
  No H/Q in entry =         694
  Start of MODEL   16
    1   1H    VAL  62           HT2      VAL  62  -7.315  10.820  -7.549
    2   2H    VAL  62           HT1      VAL  62  -6.899  12.453  -7.769
    3   3H    VAL  62           HT3      VAL  62  -5.698  11.317  -7.394
    4    HA   VAL  62           HA       VAL  62  -6.093  11.400  -5.215
    5    HB   VAL  62           HB       VAL  62  -6.096  13.816  -5.987
    6   1HG1  VAL  62          HG11      VAL  62  -8.465  13.436  -7.035
    7   2HG1  VAL  62          HG13      VAL  62  -9.047  13.776  -5.405
    8   3HG1  VAL  62          HG12      VAL  62  -8.105  14.987  -6.274
    9   1HG2  VAL  62          HG23      VAL  62  -7.328  12.753  -3.490
   10   2HG2  VAL  62          HG22      VAL  62  -5.887  13.748  -3.696
   11   3HG2  VAL  62          HG21      VAL  62  -7.486  14.484  -3.780
   12    H    GLN  63           HN       GLN  63  -9.028  11.452  -7.140
   13    HA   GLN  63           HA       GLN  63 -10.424  10.095  -4.871
   14   1HB   GLN  63           HB2      GLN  63 -12.527  11.136  -5.651
   15   2HB   GLN  63           HB1      GLN  63 -11.343  12.361  -5.198
   16   1HG   GLN  63           HG2      GLN  63 -12.035  13.189  -7.253
   17   2HG   GLN  63           HG1      GLN  63 -10.667  12.193  -7.751
   18   1HE2  GLN  63          HE22      GLN  63 -13.011  10.775 -10.035
   19   2HE2  GLN  63          HE21      GLN  63 -11.703  11.846  -9.879
   20    H    LEU  64           HN       LEU  64 -11.719   8.312  -5.459
   21    HA   LEU  64           HA       LEU  64 -11.129   7.214  -8.147
   22   1HB   LEU  64           HB2      LEU  64 -11.677   6.114  -5.513
   23   2HB   LEU  64           HB1      LEU  64 -12.726   5.391  -6.733
   24    HG   LEU  64           HG       LEU  64 -10.140   5.584  -7.887
   25   1HD1  LEU  64          HD12      LEU  64  -9.594   5.730  -5.313
   26   2HD1  LEU  64          HD11      LEU  64  -9.948   4.003  -5.342
   27   3HD1  LEU  64          HD13      LEU  64  -8.655   4.655  -6.348
   28   1HD2  LEU  64          HD21      LEU  64 -12.101   3.863  -8.068
   29   2HD2  LEU  64          HD23      LEU  64 -10.447   3.281  -8.244
   30   3HD2  LEU  64          HD22      LEU  64 -11.301   3.062  -6.717
   31    H    ALA  65           HN       ALA  65 -14.076   6.892  -6.172
   32    HA   ALA  65           HA       ALA  65 -15.624   7.955  -8.495
   33   1HB   ALA  65           HB3      ALA  65 -15.583   5.301  -7.758
   34   2HB   ALA  65           HB2      ALA  65 -16.993   5.906  -6.888
   35   3HB   ALA  65           HB1      ALA  65 -16.896   6.080  -8.640
   36    H    HIS  66           HN       HIS  66 -17.123   9.503  -7.897
   37    HA   HIS  66           HA       HIS  66 -17.175  10.534  -5.238
   38   1HB   HIS  66           HB2      HIS  66 -17.831  11.771  -7.357
   39   2HB   HIS  66           HB1      HIS  66 -19.355  10.884  -7.313
   40    HD1  HIS  66           HD1      HIS  66 -20.571  11.074  -4.779
   41    HD2  HIS  66           HD2      HIS  66 -18.003  14.140  -5.959
   42    HE1  HIS  66           HE1      HIS  66 -21.119  13.069  -3.320
   43    H    HIS  67           HN       HIS  67 -18.810   7.867  -6.671
   44    HA   HIS  67           HA       HIS  67 -20.554   7.682  -4.247
   45   1HB   HIS  67           HB2      HIS  67 -21.954   6.179  -5.950
   46   2HB   HIS  67           HB1      HIS  67 -22.183   7.925  -5.869
   47    HD1  HIS  67           HD1      HIS  67 -21.607   5.343  -8.262
   48    HD2  HIS  67           HD2      HIS  67 -20.225   9.253  -7.840
   49    HE1  HIS  67           HE1      HIS  67 -20.748   6.049 -10.538
   50    H    PHE  68           HN       PHE  68 -19.918   5.346  -6.858
   51    HA   PHE  68           HA       PHE  68 -18.794   3.273  -6.783
   52   1HB   PHE  68           HB2      PHE  68 -17.378   4.796  -4.978
   53   2HB   PHE  68           HB1      PHE  68 -17.941   3.461  -3.971
   54    HD1  PHE  68           HD2      PHE  68 -17.070   3.507  -7.609
   55    HD2  PHE  68           HD1      PHE  68 -16.076   2.054  -3.690
   56    HE1  PHE  68           HE2      PHE  68 -15.342   2.028  -8.596
   57    HE2  PHE  68           HE1      PHE  68 -14.348   0.573  -4.679
   58    HZ   PHE  68           HZ       PHE  68 -13.980   0.560  -7.131
   59    H    SER  69           HN       SER  69 -18.755   1.281  -5.016
   60    HA   SER  69           HA       SER  69 -20.944   1.135  -3.173
   61   1HB   SER  69           HB2      SER  69 -21.549   0.629  -6.008
   62   2HB   SER  69           HB1      SER  69 -22.035  -0.680  -4.934
   63    HG   SER  69           HG       SER  69 -23.573   1.116  -5.258
   64    H    GLU  70           HN       GLU  70 -21.582  -1.556  -3.306
   65    HA   GLU  70           HA       GLU  70 -20.715  -3.655  -2.712
   66   1HB   GLU  70           HB2      GLU  70 -19.256  -2.755  -5.042
   67   2HB   GLU  70           HB1      GLU  70 -18.209  -3.717  -3.998
   68   1HG   GLU  70           HG2      GLU  70 -19.482  -5.094  -5.664
   69   2HG   GLU  70           HG1      GLU  70 -19.806  -5.546  -3.990
   70    HA   PRO  71           HA       PRO  71 -18.230  -1.892   0.654
   71   1HB   PRO  71           HB2      PRO  71 -18.803  -4.303   2.120
   72   2HB   PRO  71           HB1      PRO  71 -19.453  -2.681   2.396
   73   1HG   PRO  71           HG2      PRO  71 -20.828  -4.961   1.290
   74   2HG   PRO  71           HG1      PRO  71 -21.471  -3.337   1.567
   75   1HD   PRO  71           HD2      PRO  71 -20.818  -4.565  -0.955
   76   2HD   PRO  71           HD1      PRO  71 -21.442  -2.928  -0.671
   77    H    GLU  72           HN       GLU  72 -18.179  -5.235  -0.572
   78    HA   GLU  72           HA       GLU  72 -15.794  -6.183   0.502
   79   1HB   GLU  72           HB2      GLU  72 -15.519  -7.224  -1.929
   80   2HB   GLU  72           HB1      GLU  72 -16.811  -7.761  -0.854
   81   1HG   GLU  72           HG2      GLU  72 -17.572  -5.392  -2.384
   82   2HG   GLU  72           HG1      GLU  72 -17.143  -6.749  -3.426
   83    H    ILE  73           HN       ILE  73 -15.863  -4.739  -2.782
   84    HA   ILE  73           HA       ILE  73 -13.113  -4.327  -3.011
   85    HB   ILE  73           HB       ILE  73 -15.003  -3.946  -4.745
   86   1HG1  ILE  73          HG12      ILE  73 -13.536  -2.089  -5.824
   87   2HG1  ILE  73          HG11      ILE  73 -12.510  -2.307  -4.406
   88   1HG2  ILE  73          HG23      ILE  73 -14.815  -1.184  -3.500
   89   2HG2  ILE  73          HG22      ILE  73 -15.668  -1.577  -4.993
   90   3HG2  ILE  73          HG21      ILE  73 -16.228  -2.238  -3.458
   91   1HD1  ILE  73          HD11      ILE  73 -12.528  -4.799  -4.930
   92   2HD1  ILE  73          HD13      ILE  73 -13.256  -4.377  -6.479
   93   3HD1  ILE  73          HD12      ILE  73 -11.644  -3.789  -6.074
   94    H    THR  74           HN       THR  74 -15.524  -2.258  -1.429
   95    HA   THR  74           HA       THR  74 -13.861  -0.007  -0.940
   96    HB   THR  74           HB       THR  74 -16.155  -1.186   0.649
   97    HG1  THR  74           HG1      THR  74 -16.898   1.027  -0.244
   98   1HG2  THR  74          HG23      THR  74 -14.404   1.189   1.179
   99   2HG2  THR  74          HG22      THR  74 -16.117   1.275   1.592
  100   3HG2  THR  74          HG21      THR  74 -15.094   0.036   2.321
  101    H    LEU  75           HN       LEU  75 -14.393  -2.936   1.027
  102    HA   LEU  75           HA       LEU  75 -12.526  -2.175   3.089
  103   1HB   LEU  75           HB2      LEU  75 -14.344  -4.256   2.759
  104   2HB   LEU  75           HB1      LEU  75 -12.779  -5.065   2.686
  105    HG   LEU  75           HG       LEU  75 -13.881  -3.339   4.908
  106   1HD1  LEU  75          HD11      LEU  75 -12.884  -6.182   4.649
  107   2HD1  LEU  75          HD13      LEU  75 -13.086  -5.396   6.215
  108   3HD1  LEU  75          HD12      LEU  75 -14.481  -5.631   5.161
  109   1HD2  LEU  75          HD23      LEU  75 -11.047  -3.986   4.172
  110   2HD2  LEU  75          HD22      LEU  75 -11.707  -2.511   4.878
  111   3HD2  LEU  75          HD21      LEU  75 -11.487  -3.946   5.880
  112    H    ILE  76           HN       ILE  76 -12.204  -4.302   0.224
  113    HA   ILE  76           HA       ILE  76  -9.506  -5.042   0.672
  114    HB   ILE  76           HB       ILE  76 -11.090  -4.618  -1.872
  115   1HG1  ILE  76          HG12      ILE  76 -10.042  -7.074  -0.440
  116   2HG1  ILE  76          HG11      ILE  76 -11.717  -6.522  -0.451
  117   1HG2  ILE  76          HG23      ILE  76  -8.196  -5.348  -1.487
  118   2HG2  ILE  76          HG22      ILE  76  -9.103  -6.025  -2.840
  119   3HG2  ILE  76          HG21      ILE  76  -8.921  -4.278  -2.688
  120   1HD1  ILE  76          HD13      ILE  76 -11.283  -6.595  -3.105
  121   2HD1  ILE  76          HD12      ILE  76 -10.141  -7.843  -2.605
  122   3HD1  ILE  76          HD11      ILE  76 -11.851  -8.002  -2.207
  123    H    ILE  77           HN       ILE  77 -10.830  -2.238  -1.118
  124    HA   ILE  77           HA       ILE  77  -8.335  -1.092  -1.833
  125    HB   ILE  77           HB       ILE  77 -10.956   0.274  -1.154
  126   1HG1  ILE  77          HG12      ILE  77  -9.786  -0.287  -3.882
  127   2HG1  ILE  77          HG11      ILE  77 -10.814  -1.462  -3.062
  128   1HG2  ILE  77          HG21      ILE  77  -8.982   1.795  -1.058
  129   2HG2  ILE  77          HG23      ILE  77  -8.562   1.312  -2.701
  130   3HG2  ILE  77          HG22      ILE  77 -10.065   2.184  -2.395
  131   1HD1  ILE  77          HD12      ILE  77 -12.266   0.841  -2.751
  132   2HD1  ILE  77          HD11      ILE  77 -11.532   1.100  -4.333
  133   3HD1  ILE  77          HD13      ILE  77 -12.523  -0.330  -4.045
  134    H    PHE  78           HN       PHE  78 -10.344  -0.539   1.086
  135    HA   PHE  78           HA       PHE  78  -8.615   1.345   2.321
  136   1HB   PHE  78           HB2      PHE  78 -10.776  -0.458   3.232
  137   2HB   PHE  78           HB1      PHE  78  -9.601  -0.028   4.473
  138    HD1  PHE  78           HD1      PHE  78 -11.723   1.495   1.790
  139    HD2  PHE  78           HD2      PHE  78  -9.738   2.044   5.560
  140    HE1  PHE  78           HE1      PHE  78 -12.767   3.734   2.014
  141    HE2  PHE  78           HE2      PHE  78 -10.782   4.282   5.784
  142    HZ   PHE  78           HZ       PHE  78 -12.296   5.128   4.012
  143    H    GLY  79           HN       GLY  79  -8.670  -2.223   2.632
  144   1HA   GLY  79           HA2      GLY  79  -6.474  -2.438   4.421
  145   2HA   GLY  79           HA1      GLY  79  -6.948  -3.689   3.267
  146    H    VAL  80           HN       VAL  80  -6.542  -2.449   0.859
  147    HA   VAL  80           HA       VAL  80  -3.754  -2.726   0.430
  148    HB   VAL  80           HB       VAL  80  -5.723  -1.124  -1.233
  149   1HG1  VAL  80          HG13      VAL  80  -3.039  -1.194  -1.535
  150   2HG1  VAL  80          HG12      VAL  80  -3.467  -2.663  -2.415
  151   3HG1  VAL  80          HG11      VAL  80  -4.150  -1.111  -2.903
  152   1HG2  VAL  80          HG21      VAL  80  -6.039  -3.736  -0.541
  153   2HG2  VAL  80          HG23      VAL  80  -6.533  -3.087  -2.105
  154   3HG2  VAL  80          HG22      VAL  80  -4.986  -3.916  -1.944
  155    H    MET  81           HN       MET  81  -5.728   0.224   0.798
  156    HA   MET  81           HA       MET  81  -3.637   2.117   0.512
  157   1HB   MET  81           HB2      MET  81  -6.179   2.175   2.155
  158   2HB   MET  81           HB1      MET  81  -5.106   3.566   2.006
  159   1HG   MET  81           HG2      MET  81  -5.932   2.206  -0.515
  160   2HG   MET  81           HG1      MET  81  -7.149   3.175   0.316
  161   1HE   MET  81           HE1      MET  81  -7.671   4.961  -0.756
  162   2HE   MET  81           HE3      MET  81  -6.980   5.936   0.549
  163   3HE   MET  81           HE2      MET  81  -6.696   6.380  -1.132
  164    H    ALA  82           HN       ALA  82  -4.858   0.481   3.435
  165    HA   ALA  82           HA       ALA  82  -3.108   1.703   5.291
  166   1HB   ALA  82           HB2      ALA  82  -4.825  -0.681   5.248
  167   2HB   ALA  82           HB1      ALA  82  -3.397  -0.874   6.270
  168   3HB   ALA  82           HB3      ALA  82  -4.513   0.460   6.554
  169    H    GLY  83           HN       GLY  83  -2.618  -1.272   3.333
  170   1HA   GLY  83           HA2      GLY  83  -0.072  -1.949   4.367
  171   2HA   GLY  83           HA1      GLY  83  -0.616  -2.329   2.732
  172    H    VAL  84           HN       VAL  84  -0.915   0.196   1.618
  173    HA   VAL  84           HA       VAL  84   1.740   0.880   0.886
  174    HB   VAL  84           HB       VAL  84  -0.742   2.624   0.829
  175   1HG1  VAL  84          HG11      VAL  84   1.792   3.511   0.509
  176   2HG1  VAL  84          HG13      VAL  84   1.469   2.947  -1.131
  177   3HG1  VAL  84          HG12      VAL  84   0.428   4.168  -0.397
  178   1HG2  VAL  84          HG21      VAL  84  -0.830   0.399  -0.389
  179   2HG2  VAL  84          HG23      VAL  84  -1.044   1.814  -1.420
  180   3HG2  VAL  84          HG22      VAL  84   0.506   0.975  -1.386
  181    H    ILE  85           HN       ILE  85  -0.436   2.462   3.252
  182    HA   ILE  85           HA       ILE  85   1.346   4.507   4.074
  183    HB   ILE  85           HB       ILE  85  -0.671   2.988   5.759
  184   1HG1  ILE  85          HG12      ILE  85  -1.027   5.634   4.333
  185   2HG1  ILE  85          HG11      ILE  85  -1.470   4.097   3.589
  186   1HG2  ILE  85          HG23      ILE  85   1.210   5.077   6.385
  187   2HG2  ILE  85          HG22      ILE  85  -0.430   5.713   6.506
  188   3HG2  ILE  85          HG21      ILE  85   0.037   4.297   7.446
  189   1HD1  ILE  85          HD11      ILE  85  -2.700   3.763   5.948
  190   2HD1  ILE  85          HD13      ILE  85  -2.731   5.526   5.883
  191   3HD1  ILE  85          HD12      ILE  85  -3.483   4.583   4.597
  192    H    GLY  86           HN       GLY  86   0.939   1.194   5.357
  193   1HA   GLY  86           HA2      GLY  86   2.878   1.335   7.408
  194   2HA   GLY  86           HA1      GLY  86   2.426  -0.150   6.569
  195    H    THR  87           HN       THR  87   3.282   0.371   3.981
  196    HA   THR  87           HA       THR  87   6.045  -0.233   4.108
  197    HB   THR  87           HB       THR  87   4.517   1.047   1.819
  198    HG1  THR  87           HG1      THR  87   3.798  -1.035   2.759
  199   1HG2  THR  87          HG23      THR  87   7.161  -0.417   1.964
  200   2HG2  THR  87          HG22      THR  87   6.292  -0.136   0.455
  201   3HG2  THR  87          HG21      THR  87   6.876   1.231   1.405
  202    H    ILE  88           HN       ILE  88   4.437   2.891   3.417
  203    HA   ILE  88           HA       ILE  88   6.801   4.431   3.083
  204    HB   ILE  88           HB       ILE  88   4.182   5.308   4.344
  205   1HG1  ILE  88          HG12      ILE  88   5.066   5.448   1.444
  206   2HG1  ILE  88          HG11      ILE  88   3.987   4.207   2.082
  207   1HG2  ILE  88          HG23      ILE  88   6.667   6.684   3.551
  208   2HG2  ILE  88          HG22      ILE  88   5.195   7.424   2.922
  209   3HG2  ILE  88          HG21      ILE  88   5.398   7.203   4.659
  210   1HD1  ILE  88          HD11      ILE  88   2.663   6.311   3.010
  211   2HD1  ILE  88          HD13      ILE  88   3.484   7.130   1.683
  212   3HD1  ILE  88          HD12      ILE  88   2.427   5.757   1.353
  213    H    LEU  89           HN       LEU  89   4.914   3.715   6.019
  214    HA   LEU  89           HA       LEU  89   6.512   5.155   7.857
  215   1HB   LEU  89           HB2      LEU  89   4.796   4.423   9.129
  216   2HB   LEU  89           HB1      LEU  89   4.388   3.182   7.951
  217    HG   LEU  89           HG       LEU  89   6.204   1.748   8.924
  218   1HD1  LEU  89          HD12      LEU  89   6.553   4.214  10.530
  219   2HD1  LEU  89          HD11      LEU  89   6.620   2.704  11.439
  220   3HD1  LEU  89          HD13      LEU  89   7.732   2.976  10.098
  221   1HD2  LEU  89          HD21      LEU  89   3.844   2.702  10.528
  222   2HD2  LEU  89          HD23      LEU  89   4.079   1.157   9.711
  223   3HD2  LEU  89          HD22      LEU  89   4.936   1.498  11.214
  224    H    LEU  90           HN       LEU  90   6.790   1.769   6.746
  225    HA   LEU  90           HA       LEU  90   9.012   1.030   8.350
  226   1HB   LEU  90           HB2      LEU  90   7.674  -0.518   6.869
  227   2HB   LEU  90           HB1      LEU  90   8.541   0.150   5.485
  228    HG   LEU  90           HG       LEU  90  10.693  -0.452   6.768
  229   1HD1  LEU  90          HD12      LEU  90   8.568  -1.808   8.404
  230   2HD1  LEU  90          HD11      LEU  90  10.155  -2.561   8.241
  231   3HD1  LEU  90          HD13      LEU  90  10.011  -0.951   8.945
  232   1HD2  LEU  90          HD22      LEU  90   8.764  -2.372   5.494
  233   2HD2  LEU  90          HD21      LEU  90  10.303  -1.769   4.879
  234   3HD2  LEU  90          HD23      LEU  90  10.279  -2.984   6.157
  235    H    ILE  91           HN       ILE  91   8.986   2.520   5.086
  236    HA   ILE  91           HA       ILE  91  11.809   2.653   4.765
  237    HB   ILE  91           HB       ILE  91   9.661   4.576   3.805
  238   1HG1  ILE  91          HG12      ILE  91  11.062   2.238   2.466
  239   2HG1  ILE  91          HG11      ILE  91   9.381   2.265   3.000
  240   1HG2  ILE  91          HG23      ILE  91  12.077   5.436   3.868
  241   2HG2  ILE  91          HG22      ILE  91  12.435   4.201   2.661
  242   3HG2  ILE  91          HG21      ILE  91  11.272   5.477   2.298
  243   1HD1  ILE  91          HD11      ILE  91   9.785   4.574   1.388
  244   2HD1  ILE  91          HD13      ILE  91  10.476   3.204   0.519
  245   3HD1  ILE  91          HD12      ILE  91   8.788   3.165   1.028
  246    H    SER  92           HN       SER  92   9.546   4.992   6.239
  247    HA   SER  92           HA       SER  92  11.487   6.933   6.969
  248   1HB   SER  92           HB2      SER  92   9.663   6.941   9.065
  249   2HB   SER  92           HB1      SER  92   9.501   7.852   7.566
  250    HG   SER  92           HG       SER  92   7.781   6.661   7.321
  251    H    TYR  93           HN       TYR  93  10.282   4.081   8.762
  252    HA   TYR  93           HA       TYR  93  11.902   4.421  11.067
  253   1HB   TYR  93           HB2      TYR  93  10.086   2.535  10.207
  254   2HB   TYR  93           HB1      TYR  93  11.600   1.633  10.166
  255    HD1  TYR  93           HD1      TYR  93  13.022   1.482  12.228
  256    HD2  TYR  93           HD2      TYR  93   9.078   3.184  12.282
  257    HE1  TYR  93           HE1      TYR  93  12.954   1.250  14.696
  258    HE2  TYR  93           HE2      TYR  93   9.011   2.951  14.749
  259    HH   TYR  93           HH       TYR  93  11.766   1.549  16.535
  260    H    GLY  94           HN       GLY  94  12.597   2.615   8.040
  261   1HA   GLY  94           HA2      GLY  94  15.183   1.715   8.759
  262   2HA   GLY  94           HA1      GLY  94  14.652   1.991   7.102
  263    H    ILE  95           HN       ILE  95  14.261   4.726   7.032
  264    HA   ILE  95           HA       ILE  95  16.912   5.711   6.742
  265    HB   ILE  95           HB       ILE  95  15.198   6.859   5.539
  266   1HG1  ILE  95          HG12      ILE  95  15.457   9.217   6.391
  267   2HG1  ILE  95          HG11      ILE  95  16.248   8.552   7.821
  268   1HG2  ILE  95          HG21      ILE  95  13.323   6.330   7.055
  269   2HG2  ILE  95          HG23      ILE  95  13.941   7.499   8.222
  270   3HG2  ILE  95          HG22      ILE  95  13.356   8.045   6.650
  271   1HD1  ILE  95          HD11      ILE  95  17.474   7.334   5.573
  272   2HD1  ILE  95          HD13      ILE  95  17.377   9.060   5.225
  273   3HD1  ILE  95          HD12      ILE  95  18.189   8.500   6.687
  274    H    ARG  96           HN       ARG  96  14.583   6.204   9.394
  275    HA   ARG  96           HA       ARG  96  16.199   7.872  11.016
  276   1HB   ARG  96           HB2      ARG  96  14.216   5.742  11.871
  277   2HB   ARG  96           HB1      ARG  96  14.840   7.025  12.907
  278   1HG   ARG  96           HG2      ARG  96  13.980   8.464  10.744
  279   2HG   ARG  96           HG1      ARG  96  12.799   7.153  10.777
  280   1HD   ARG  96           HD2      ARG  96  13.408   8.289  13.427
  281   2HD   ARG  96           HD1      ARG  96  12.643   9.423  12.316
  282    HE   ARG  96           HE       ARG  96  11.110   7.128  12.075
  283   1HH1  ARG  96          HH11      ARG  96  11.078   9.898  13.844
  284   2HH1  ARG  96          HH12      ARG  96  10.197   9.275  15.198
  285   1HH2  ARG  96          HH21      ARG  96  10.449   5.970  14.175
  286   2HH2  ARG  96          HH22      ARG  96   9.840   7.050  15.386
  287    H    ARG  97           HN       ARG  97  15.978   4.308  10.946
  288    HA   ARG  97           HA       ARG  97  17.852   3.818  13.009
  289   1HB   ARG  97           HB2      ARG  97  16.814   2.256  10.696
  290   2HB   ARG  97           HB1      ARG  97  18.340   1.708  11.388
  291   1HG   ARG  97           HG2      ARG  97  16.994   2.082  13.672
  292   2HG   ARG  97           HG1      ARG  97  15.620   1.763  12.611
  293   1HD   ARG  97           HD2      ARG  97  17.300  -0.209  11.808
  294   2HD   ARG  97           HD1      ARG  97  17.786  -0.059  13.497
  295    HE   ARG  97           HE       ARG  97  15.019  -0.144  13.611
  296   1HH1  ARG  97          HH21      ARG  97  17.307  -2.304  14.171
  297   2HH1  ARG  97          HH22      ARG  97  16.533  -3.685  13.467
  298   1HH2  ARG  97          HH11      ARG  97  14.091  -1.826  11.853
  299   2HH2  ARG  97          HH12      ARG  97  14.712  -3.415  12.155
  300    H    LEU  98           HN       LEU  98  18.407   4.193   9.503
  301    HA   LEU  98           HA       LEU  98  21.207   3.785   9.549
  302   1HB   LEU  98           HB2      LEU  98  20.745   4.024   7.346
  303   2HB   LEU  98           HB1      LEU  98  19.221   4.828   7.701
  304    HG   LEU  98           HG       LEU  98  20.501   6.956   8.059
  305   1HD1  LEU  98          HD11      LEU  98  22.678   5.525   8.418
  306   2HD1  LEU  98          HD13      LEU  98  22.816   5.645   6.664
  307   3HD1  LEU  98          HD12      LEU  98  22.795   7.107   7.649
  308   1HD2  LEU  98          HD22      LEU  98  20.115   5.505   5.539
  309   2HD2  LEU  98          HD21      LEU  98  19.718   7.177   5.941
  310   3HD2  LEU  98          HD23      LEU  98  21.352   6.757   5.427
  311    H    ILE  99           HN       ILE  99  19.322   6.782   9.968
  312    HA   ILE  99           HA       ILE  99  21.749   8.304  10.643
  313    HB   ILE  99           HB       ILE  99  20.170  10.182  10.942
  314   1HG1  ILE  99          HG12      ILE  99  17.886   8.480  10.058
  315   2HG1  ILE  99          HG11      ILE  99  18.386   8.338  11.744
  316   1HG2  ILE  99          HG22      ILE  99  20.950   9.603   8.661
  317   2HG2  ILE  99          HG21      ILE  99  19.570   8.519   8.475
  318   3HG2  ILE  99          HG23      ILE  99  19.312  10.255   8.636
  319   1HD1  ILE  99          HD11      ILE  99  18.394  11.098  11.204
  320   2HD1  ILE  99          HD13      ILE  99  16.920  10.482  10.454
  321   3HD1  ILE  99          HD12      ILE  99  17.215  10.213  12.172
  322    H    LYS 100           HN       LYS 100  21.220   6.073  12.399
  323    HA   LYS 100           HA       LYS 100  21.111   7.543  14.941
  324   1HB   LYS 100           HB2      LYS 100  18.708   6.894  14.261
  325   2HB   LYS 100           HB1      LYS 100  19.207   5.230  14.573
  326   1HG   LYS 100           HG2      LYS 100  18.305   5.939  16.637
  327   2HG   LYS 100           HG1      LYS 100  20.046   6.119  16.854
  328   1HD   LYS 100           HD2      LYS 100  19.154   8.163  17.648
  329   2HD   LYS 100           HD1      LYS 100  19.708   8.539  16.015
  330   1HE   LYS 100           HE2      LYS 100  17.235   7.781  15.383
  331   2HE   LYS 100           HE1      LYS 100  16.918   8.253  17.053
  332   1HZ   LYS 100           HZ1      LYS 100  18.243  10.353  16.395
  333   2HZ   LYS 100           HZ3      LYS 100  17.861   9.903  14.806
  334   3HZ   LYS 100           HZ2      LYS 100  16.617  10.215  15.921
  335    H    LYS 101           HN       LYS 101  23.123   6.789  15.553
  336    HA   LYS 101           HA       LYS 101  24.790   5.247  16.173
  337   1HB   LYS 101           HB2      LYS 101  22.302   4.467  17.332
  338   2HB   LYS 101           HB1      LYS 101  23.142   2.998  16.832
  339   1HG   LYS 101           HG2      LYS 101  24.527   3.185  18.590
  340   2HG   LYS 101           HG1      LYS 101  25.065   4.759  18.004
  341   1HD   LYS 101           HD2      LYS 101  24.160   5.007  20.258
  342   2HD   LYS 101           HD1      LYS 101  23.087   5.805  19.108
  343   1HE   LYS 101           HE2      LYS 101  22.170   3.164  19.197
  344   2HE   LYS 101           HE1      LYS 101  22.541   3.560  20.875
  345   1HZ   LYS 101           HZ1      LYS 101  20.878   5.222  19.061
  346   2HZ   LYS 101           HZ3      LYS 101  20.269   4.173  20.247
  347   3HZ   LYS 101           HZ2      LYS 101  21.188   5.528  20.704
  348   1H    VAL  62           HT2      VAL  62  -6.255 -31.433  12.370
  349   2H    VAL  62           HT1      VAL  62  -4.787 -30.789  12.931
  350   3H    VAL  62           HT3      VAL  62  -6.158 -30.763  13.928
  351    HA   VAL  62           HA       VAL  62  -5.837 -28.576  13.057
  352    HB   VAL  62           HB       VAL  62  -5.692 -28.153  10.691
  353   1HG1  VAL  62          HG13      VAL  62  -3.670 -29.154  12.009
  354   2HG1  VAL  62          HG12      VAL  62  -3.955 -30.591  11.026
  355   3HG1  VAL  62          HG11      VAL  62  -3.568 -29.054  10.251
  356   1HG2  VAL  62          HG22      VAL  62  -6.749 -30.914  10.559
  357   2HG2  VAL  62          HG21      VAL  62  -7.001 -29.559   9.457
  358   3HG2  VAL  62          HG23      VAL  62  -5.530 -30.527   9.344
  359    H    GLN  63           HN       GLN  63  -7.613 -27.667  11.102
  360    HA   GLN  63           HA       GLN  63 -10.148 -29.131  11.463
  361   1HB   GLN  63           HB2      GLN  63 -11.126 -26.754  12.168
  362   2HB   GLN  63           HB1      GLN  63 -10.511 -27.886  13.371
  363   1HG   GLN  63           HG2      GLN  63  -9.458 -25.852  13.936
  364   2HG   GLN  63           HG1      GLN  63  -8.226 -26.704  13.011
  365   1HE2  GLN  63          HE22      GLN  63  -8.200 -24.340  10.383
  366   2HE2  GLN  63          HE21      GLN  63  -7.570 -25.793  10.993
  367    H    LEU  64           HN       LEU  64 -10.154 -29.298   9.178
  368    HA   LEU  64           HA       LEU  64 -10.386 -28.541   6.951
  369   1HB   LEU  64           HB2      LEU  64 -12.382 -27.326   8.672
  370   2HB   LEU  64           HB1      LEU  64 -11.998 -26.267   7.313
  371    HG   LEU  64           HG       LEU  64 -12.137 -28.684   6.054
  372   1HD1  LEU  64          HD11      LEU  64 -14.117 -28.709   8.350
  373   2HD1  LEU  64          HD13      LEU  64 -14.242 -29.752   6.933
  374   3HD1  LEU  64          HD12      LEU  64 -12.861 -29.902   8.019
  375   1HD2  LEU  64          HD23      LEU  64 -14.277 -26.624   6.638
  376   2HD2  LEU  64          HD22      LEU  64 -13.268 -26.762   5.198
  377   3HD2  LEU  64          HD21      LEU  64 -14.535 -27.951   5.505
  378    H    ALA  65           HN       ALA  65  -7.970 -27.720   7.625
  379    HA   ALA  65           HA       ALA  65  -7.890 -24.767   7.227
  380   1HB   ALA  65           HB2      ALA  65  -6.275 -26.661   8.738
  381   2HB   ALA  65           HB1      ALA  65  -5.279 -25.672   7.670
  382   3HB   ALA  65           HB3      ALA  65  -6.334 -24.903   8.856
  383    H    HIS  66           HN       HIS  66  -7.849 -24.343   5.038
  384    HA   HIS  66           HA       HIS  66  -5.577 -25.214   3.469
  385   1HB   HIS  66           HB2      HIS  66  -7.262 -26.234   1.687
  386   2HB   HIS  66           HB1      HIS  66  -6.598 -27.239   2.974
  387    HD1  HIS  66           HD1      HIS  66  -9.750 -25.492   1.902
  388    HD2  HIS  66           HD2      HIS  66  -8.464 -27.989   4.983
  389    HE1  HIS  66           HE1      HIS  66 -11.832 -26.241   3.136
  390    H    HIS  67           HN       HIS  67  -5.162 -23.459   2.222
  391    HA   HIS  67           HA       HIS  67  -5.526 -21.576   0.865
  392   1HB   HIS  67           HB2      HIS  67  -7.123 -23.190  -0.293
  393   2HB   HIS  67           HB1      HIS  67  -8.408 -22.489   0.691
  394    HD1  HIS  67           HD1      HIS  67  -9.580 -21.361  -1.325
  395    HD2  HIS  67           HD2      HIS  67  -5.626 -20.149  -0.808
  396    HE1  HIS  67           HE1      HIS  67  -9.249 -19.344  -2.820
  397    H    PHE  68           HN       PHE  68  -5.772 -19.507   1.592
  398    HA   PHE  68           HA       PHE  68  -7.831 -19.042   3.713
  399   1HB   PHE  68           HB2      PHE  68  -4.954 -18.446   3.619
  400   2HB   PHE  68           HB1      PHE  68  -5.946 -17.062   4.082
  401    HD1  PHE  68           HD1      PHE  68  -6.020 -20.769   4.717
  402    HD2  PHE  68           HD2      PHE  68  -6.191 -16.811   6.380
  403    HE1  PHE  68           HE1      PHE  68  -6.311 -21.733   6.983
  404    HE2  PHE  68           HE2      PHE  68  -6.483 -17.777   8.646
  405    HZ   PHE  68           HZ       PHE  68  -6.542 -20.238   8.947
  406    H    SER  69           HN       SER  69  -9.215 -18.474   1.804
  407    HA   SER  69           HA       SER  69  -8.967 -15.587   1.242
  408   1HB   SER  69           HB2      SER  69  -9.449 -17.428  -1.089
  409   2HB   SER  69           HB1      SER  69  -8.918 -15.748  -1.098
  410    HG   SER  69           HG       SER  69  -6.959 -16.479  -1.061
  411    H    GLU  70           HN       GLU  70 -10.920 -15.164   2.275
  412    HA   GLU  70           HA       GLU  70 -13.345 -15.465   0.897
  413   1HB   GLU  70           HB2      GLU  70 -12.548 -17.869   2.340
  414   2HB   GLU  70           HB1      GLU  70 -14.109 -17.257   2.891
  415   1HG   GLU  70           HG2      GLU  70 -15.094 -17.485   0.789
  416   2HG   GLU  70           HG1      GLU  70 -13.546 -17.422  -0.054
  417    HA   PRO  71           HA       PRO  71 -14.328 -14.472   5.545
  418   1HB   PRO  71           HB2      PRO  71 -11.809 -14.281   6.926
  419   2HB   PRO  71           HB1      PRO  71 -13.153 -15.382   7.257
  420   1HG   PRO  71           HG2      PRO  71 -10.604 -16.024   6.071
  421   2HG   PRO  71           HG1      PRO  71 -11.952 -17.120   6.403
  422   1HD   PRO  71           HD2      PRO  71 -11.058 -16.158   3.845
  423   2HD   PRO  71           HD1      PRO  71 -12.428 -17.233   4.184
  424    H    GLU  72           HN       GLU  72 -14.228 -12.315   6.476
  425    HA   GLU  72           HA       GLU  72 -13.463 -10.245   4.735
  426   1HB   GLU  72           HB2      GLU  72 -13.664 -10.106   7.760
  427   2HB   GLU  72           HB1      GLU  72 -13.739  -8.733   6.655
  428   1HG   GLU  72           HG2      GLU  72 -15.663 -11.069   6.530
  429   2HG   GLU  72           HG1      GLU  72 -15.994  -9.587   7.428
  430    H    ILE  73           HN       ILE  73 -11.805 -10.937   7.833
  431    HA   ILE  73           HA       ILE  73  -9.549  -9.408   7.533
  432    HB   ILE  73           HB       ILE  73 -10.174 -11.025   9.433
  433   1HG1  ILE  73          HG12      ILE  73  -7.427 -11.538   9.424
  434   2HG1  ILE  73          HG11      ILE  73  -7.611 -10.074   8.455
  435   1HG2  ILE  73          HG22      ILE  73 -10.247 -13.055   7.986
  436   2HG2  ILE  73          HG21      ILE  73  -8.511 -12.899   7.719
  437   3HG2  ILE  73          HG23      ILE  73  -9.128 -13.235   9.337
  438   1HD1  ILE  73          HD11      ILE  73  -9.279  -9.433  10.445
  439   2HD1  ILE  73          HD13      ILE  73  -8.226 -10.528  11.340
  440   3HD1  ILE  73          HD12      ILE  73  -7.548  -9.106  10.547
  441    H    THR  74           HN       THR  74  -9.986 -12.678   6.151
  442    HA   THR  74           HA       THR  74  -7.428 -12.921   4.973
  443    HB   THR  74           HB       THR  74  -9.137 -14.137   3.153
  444    HG1  THR  74           HG1      THR  74 -11.003 -14.057   4.107
  445   1HG2  THR  74          HG23      THR  74  -7.145 -15.023   4.494
  446   2HG2  THR  74          HG22      THR  74  -8.300 -15.364   5.783
  447   3HG2  THR  74          HG21      THR  74  -8.466 -16.157   4.217
  448    H    LEU  75           HN       LEU  75 -10.409 -11.521   3.576
  449    HA   LEU  75           HA       LEU  75  -9.106 -10.781   1.096
  450   1HB   LEU  75           HB2      LEU  75 -11.453 -11.007   0.951
  451   2HB   LEU  75           HB1      LEU  75 -11.726 -10.048   2.401
  452    HG   LEU  75           HG       LEU  75 -10.464  -8.831  -0.056
  453   1HD1  LEU  75          HD12      LEU  75 -13.401  -9.192   0.610
  454   2HD1  LEU  75          HD11      LEU  75 -12.816  -7.997  -0.547
  455   3HD1  LEU  75          HD13      LEU  75 -12.563  -9.715  -0.852
  456   1HD2  LEU  75          HD22      LEU  75 -11.333  -7.950   2.588
  457   2HD2  LEU  75          HD21      LEU  75 -10.364  -7.087   1.394
  458   3HD2  LEU  75          HD23      LEU  75 -12.125  -7.027   1.311
  459    H    ILE  76           HN       ILE  76  -9.976  -8.903   4.023
  460    HA   ILE  76           HA       ILE  76  -8.974  -6.412   3.105
  461    HB   ILE  76           HB       ILE  76  -8.846  -7.513   5.930
  462   1HG1  ILE  76          HG12      ILE  76 -11.020  -5.799   4.730
  463   2HG1  ILE  76          HG11      ILE  76 -11.111  -7.560   4.726
  464   1HG2  ILE  76          HG21      ILE  76  -7.917  -5.087   4.804
  465   2HG2  ILE  76          HG23      ILE  76  -9.393  -4.695   5.686
  466   3HG2  ILE  76          HG22      ILE  76  -8.054  -5.491   6.515
  467   1HD1  ILE  76          HD12      ILE  76 -10.468  -7.177   7.311
  468   2HD1  ILE  76          HD11      ILE  76 -11.313  -5.660   7.007
  469   3HD1  ILE  76          HD13      ILE  76 -12.139  -7.196   6.746
  470    H    ILE  77           HN       ILE  77  -7.324  -9.040   4.864
  471    HA   ILE  77           HA       ILE  77  -4.756  -7.844   4.985
  472    HB   ILE  77           HB       ILE  77  -5.848 -10.608   5.166
  473   1HG1  ILE  77          HG12      ILE  77  -4.741 -10.568   7.281
  474   2HG1  ILE  77          HG11      ILE  77  -3.695  -9.237   6.789
  475   1HG2  ILE  77          HG22      ILE  77  -2.989 -10.004   4.403
  476   2HG2  ILE  77          HG21      ILE  77  -3.399 -11.435   5.350
  477   3HG2  ILE  77          HG23      ILE  77  -4.069 -11.226   3.733
  478   1HD1  ILE  77          HD13      ILE  77  -6.686  -8.887   6.821
  479   2HD1  ILE  77          HD12      ILE  77  -5.750  -8.707   8.306
  480   3HD1  ILE  77          HD11      ILE  77  -5.427  -7.656   6.927
  481    H    PHE  78           HN       PHE  78  -6.174  -9.960   2.466
  482    HA   PHE  78           HA       PHE  78  -3.901 -10.061   0.777
  483   1HB   PHE  78           HB2      PHE  78  -6.831 -10.416   0.393
  484   2HB   PHE  78           HB1      PHE  78  -5.889 -10.080  -1.058
  485    HD1  PHE  78           HD1      PHE  78  -4.890 -11.923   2.037
  486    HD2  PHE  78           HD2      PHE  78  -5.722 -12.148  -2.172
  487    HE1  PHE  78           HE1      PHE  78  -4.089 -14.271   2.004
  488    HE2  PHE  78           HE2      PHE  78  -4.920 -14.496  -2.205
  489    HZ   PHE  78           HZ       PHE  78  -4.104 -15.556  -0.117
  490    H    GLY  79           HN       GLY  79  -6.593  -7.684   0.764
  491   1HA   GLY  79           HA2      GLY  79  -5.622  -6.114  -1.393
  492   2HA   GLY  79           HA1      GLY  79  -6.615  -5.484  -0.076
  493    H    VAL  80           HN       VAL  80  -4.980  -5.839   2.104
  494    HA   VAL  80           HA       VAL  80  -3.251  -3.598   1.998
  495    HB   VAL  80           HB       VAL  80  -3.061  -5.972   3.876
  496   1HG1  VAL  80          HG13      VAL  80  -2.146  -3.088   4.060
  497   2HG1  VAL  80          HG12      VAL  80  -2.192  -4.190   5.437
  498   3HG1  VAL  80          HG11      VAL  80  -1.128  -4.529   4.071
  499   1HG2  VAL  80          HG23      VAL  80  -5.306  -4.511   3.476
  500   2HG2  VAL  80          HG22      VAL  80  -4.846  -5.135   5.060
  501   3HG2  VAL  80          HG21      VAL  80  -4.480  -3.465   4.631
  502    H    MET  81           HN       MET  81  -2.465  -7.081   1.776
  503    HA   MET  81           HA       MET  81   0.346  -6.806   1.503
  504   1HB   MET  81           HB2      MET  81  -1.569  -8.845   0.333
  505   2HB   MET  81           HB1      MET  81   0.186  -8.988   0.223
  506   1HG   MET  81           HG2      MET  81  -1.041  -8.493   2.910
  507   2HG   MET  81           HG1      MET  81  -1.132 -10.116   2.228
  508   1HE   MET  81           HE1      MET  81   0.468 -11.403   1.426
  509   2HE   MET  81           HE3      MET  81   2.197 -11.435   1.803
  510   3HE   MET  81           HE2      MET  81   1.012 -11.847   3.041
  511    H    ALA  82           HN       ALA  82  -2.203  -6.845  -0.983
  512    HA   ALA  82           HA       ALA  82  -0.524  -6.534  -3.238
  513   1HB   ALA  82           HB1      ALA  82  -3.374  -6.275  -2.674
  514   2HB   ALA  82           HB3      ALA  82  -2.832  -5.074  -3.850
  515   3HB   ALA  82           HB2      ALA  82  -2.566  -6.789  -4.153
  516    H    GLY  83           HN       GLY  83  -2.019  -4.013  -1.153
  517   1HA   GLY  83           HA2      GLY  83  -1.088  -1.772  -2.602
  518   2HA   GLY  83           HA1      GLY  83  -1.390  -1.775  -0.865
  519    H    VAL  84           HN       VAL  84   0.538  -3.562   0.064
  520    HA   VAL  84           HA       VAL  84   2.875  -1.947   0.140
  521    HB   VAL  84           HB       VAL  84   2.775  -4.953   0.530
  522   1HG1  VAL  84          HG13      VAL  84   4.811  -2.885   0.852
  523   2HG1  VAL  84          HG12      VAL  84   4.515  -3.760   2.356
  524   3HG1  VAL  84          HG11      VAL  84   4.982  -4.641   0.900
  525   1HG2  VAL  84          HG23      VAL  84   1.361  -2.927   1.917
  526   2HG2  VAL  84          HG22      VAL  84   1.558  -4.612   2.397
  527   3HG2  VAL  84          HG21      VAL  84   2.704  -3.395   2.959
  528    H    ILE  85           HN       ILE  85   2.194  -4.860  -1.827
  529    HA   ILE  85           HA       ILE  85   4.668  -4.952  -3.209
  530    HB   ILE  85           HB       ILE  85   1.872  -5.725  -4.087
  531   1HG1  ILE  85          HG12      ILE  85   4.060  -7.682  -3.592
  532   2HG1  ILE  85          HG11      ILE  85   3.413  -6.854  -2.175
  533   1HG2  ILE  85          HG23      ILE  85   4.438  -5.661  -5.556
  534   2HG2  ILE  85          HG22      ILE  85   3.571  -7.195  -5.640
  535   3HG2  ILE  85          HG21      ILE  85   2.787  -5.710  -6.175
  536   1HD1  ILE  85          HD13      ILE  85   1.590  -8.118  -4.221
  537   2HD1  ILE  85          HD12      ILE  85   2.260  -9.054  -2.885
  538   3HD1  ILE  85          HD11      ILE  85   1.222  -7.666  -2.556
  539    H    GLY  86           HN       GLY  86   1.652  -3.227  -4.053
  540   1HA   GLY  86           HA2      GLY  86   2.523  -2.089  -6.488
  541   2HA   GLY  86           HA1      GLY  86   1.311  -1.366  -5.431
  542    H    THR  87           HN       THR  87   2.806  -0.780  -3.163
  543    HA   THR  87           HA       THR  87   4.044   1.669  -3.858
  544    HB   THR  87           HB       THR  87   4.432  -0.086  -1.415
  545    HG1  THR  87           HG1      THR  87   2.337   0.926  -1.979
  546   1HG2  THR  87          HG21      THR  87   5.862   2.272  -2.281
  547   2HG2  THR  87          HG23      THR  87   4.957   2.615  -0.807
  548   3HG2  THR  87          HG22      THR  87   6.117   1.287  -0.840
  549    H    ILE  88           HN       ILE  88   5.551  -1.498  -3.130
  550    HA   ILE  88           HA       ILE  88   8.248  -0.684  -3.492
  551    HB   ILE  88           HB       ILE  88   6.977  -3.357  -4.171
  552   1HG1  ILE  88          HG12      ILE  88   8.187  -2.211  -1.640
  553   2HG1  ILE  88          HG11      ILE  88   6.557  -2.844  -1.862
  554   1HG2  ILE  88          HG23      ILE  88   9.268  -2.911  -5.145
  555   2HG2  ILE  88          HG22      ILE  88   9.862  -2.716  -3.496
  556   3HG2  ILE  88          HG21      ILE  88   9.209  -4.268  -4.020
  557   1HD1  ILE  88          HD11      ILE  88   7.616  -5.083  -2.416
  558   2HD1  ILE  88          HD13      ILE  88   9.152  -4.402  -1.881
  559   3HD1  ILE  88          HD12      ILE  88   7.813  -4.559  -0.744
  560    H    LEU  89           HN       LEU  89   5.900  -1.959  -5.852
  561    HA   LEU  89           HA       LEU  89   7.587  -1.904  -8.124
  562   1HB   LEU  89           HB2      LEU  89   5.711  -2.770  -9.020
  563   2HB   LEU  89           HB1      LEU  89   4.815  -2.335  -7.571
  564    HG   LEU  89           HG       LEU  89   4.506  -0.027  -8.559
  565   1HD1  LEU  89          HD13      LEU  89   6.502  -0.677 -10.245
  566   2HD1  LEU  89          HD12      LEU  89   5.131  -1.148 -11.247
  567   3HD1  LEU  89          HD11      LEU  89   5.266   0.510 -10.662
  568   1HD2  LEU  89          HD23      LEU  89   3.214  -2.495  -9.199
  569   2HD2  LEU  89          HD22      LEU  89   2.512  -0.878  -9.166
  570   3HD2  LEU  89          HD21      LEU  89   3.227  -1.499 -10.654
  571    H    LEU  90           HN       LEU  90   5.453   0.655  -6.825
  572    HA   LEU  90           HA       LEU  90   5.972   2.608  -8.817
  573   1HB   LEU  90           HB2      LEU  90   5.509   3.048  -5.849
  574   2HB   LEU  90           HB1      LEU  90   5.326   4.267  -7.110
  575    HG   LEU  90           HG       LEU  90   3.766   1.670  -6.988
  576   1HD1  LEU  90          HD13      LEU  90   3.137   4.483  -6.095
  577   2HD1  LEU  90          HD12      LEU  90   1.855   3.358  -6.545
  578   3HD1  LEU  90          HD11      LEU  90   2.932   2.975  -5.201
  579   1HD2  LEU  90          HD21      LEU  90   3.678   4.095  -8.800
  580   2HD2  LEU  90          HD23      LEU  90   3.947   2.415  -9.262
  581   3HD2  LEU  90          HD22      LEU  90   2.357   2.932  -8.700
  582    H    ILE  91           HN       ILE  91   7.723   1.985  -5.755
  583    HA   ILE  91           HA       ILE  91   9.647   4.053  -6.032
  584    HB   ILE  91           HB       ILE  91  10.040   1.289  -4.837
  585   1HG1  ILE  91          HG12      ILE  91   9.313   3.857  -3.409
  586   2HG1  ILE  91          HG11      ILE  91   8.090   2.722  -3.983
  587   1HG2  ILE  91          HG22      ILE  91  11.528   3.909  -4.500
  588   2HG2  ILE  91          HG21      ILE  91  11.747   2.510  -3.449
  589   3HG2  ILE  91          HG23      ILE  91  12.168   2.404  -5.159
  590   1HD1  ILE  91          HD11      ILE  91  10.319   1.520  -2.445
  591   2HD1  ILE  91          HD13      ILE  91   9.237   2.564  -1.523
  592   3HD1  ILE  91          HD12      ILE  91   8.592   1.167  -2.387
  593    H    SER  92           HN       SER  92   9.795   0.665  -7.206
  594    HA   SER  92           HA       SER  92  12.371   0.863  -8.383
  595   1HB   SER  92           HB2      SER  92  11.791  -1.073  -9.654
  596   2HB   SER  92           HB1      SER  92  10.900  -1.225  -8.143
  597    HG   SER  92           HG       SER  92   9.507  -1.598  -9.860
  598    H    TYR  93           HN       TYR  93   9.153   1.531  -9.782
  599    HA   TYR  93           HA       TYR  93  10.033   2.346 -12.353
  600   1HB   TYR  93           HB2      TYR  93   7.599   2.144 -11.131
  601   2HB   TYR  93           HB1      TYR  93   7.794   3.896 -11.197
  602    HD1  TYR  93           HD2      TYR  93   9.012   1.250 -13.545
  603    HD2  TYR  93           HD1      TYR  93   6.425   4.629 -12.965
  604    HE1  TYR  93           HE2      TYR  93   8.436   1.223 -15.957
  605    HE2  TYR  93           HE1      TYR  93   5.848   4.603 -15.376
  606    HH   TYR  93           HH       TYR  93   6.168   3.615 -17.330
  607    H    GLY  94           HN       GLY  94   9.522   4.296  -9.394
  608   1HA   GLY  94           HA2      GLY  94  10.241   6.809 -10.476
  609   2HA   GLY  94           HA1      GLY  94  10.427   6.367  -8.779
  610    H    ILE  95           HN       ILE  95  12.312   4.347  -8.901
  611    HA   ILE  95           HA       ILE  95  14.753   5.787  -9.105
  612    HB   ILE  95           HB       ILE  95  14.099   2.839  -9.065
  613   1HG1  ILE  95          HG12      ILE  95  15.897   3.656  -7.035
  614   2HG1  ILE  95          HG11      ILE  95  14.676   4.923  -7.152
  615   1HG2  ILE  95          HG21      ILE  95  16.867   4.074  -9.228
  616   2HG2  ILE  95          HG23      ILE  95  16.520   2.372  -8.923
  617   3HG2  ILE  95          HG22      ILE  95  16.109   3.090 -10.480
  618   1HD1  ILE  95          HD13      ILE  95  13.561   2.210  -7.299
  619   2HD1  ILE  95          HD12      ILE  95  14.370   2.555  -5.771
  620   3HD1  ILE  95          HD11      ILE  95  13.047   3.584  -6.321
  621    H    ARG  96           HN       ARG  96  13.262   3.517 -11.432
  622    HA   ARG  96           HA       ARG  96  15.270   3.671 -13.429
  623   1HB   ARG  96           HB2      ARG  96  12.272   3.367 -13.788
  624   2HB   ARG  96           HB1      ARG  96  13.493   2.985 -15.003
  625   1HG   ARG  96           HG2      ARG  96  14.333   1.166 -13.770
  626   2HG   ARG  96           HG1      ARG  96  13.613   1.736 -12.265
  627   1HD   ARG  96           HD2      ARG  96  11.356   1.436 -13.646
  628   2HD   ARG  96           HD1      ARG  96  12.339   0.279 -14.544
  629    HE   ARG  96           HE       ARG  96  11.149  -0.437 -12.197
  630   1HH1  ARG  96          HH11      ARG  96  13.394   0.729 -10.652
  631   2HH1  ARG  96          HH12      ARG  96  14.515  -0.588 -10.556
  632   1HH2  ARG  96          HH21      ARG  96  13.036  -2.381 -13.129
  633   2HH2  ARG  96          HH22      ARG  96  14.311  -2.348 -11.958
  634    H    ARG  97           HN       ARG  97  12.353   5.665 -12.970
  635    HA   ARG  97           HA       ARG  97  12.697   7.355 -15.212
  636   1HB   ARG  97           HB2      ARG  97  10.710   7.236 -13.591
  637   2HB   ARG  97           HB1      ARG  97  11.641   8.312 -12.547
  638   1HG   ARG  97           HG2      ARG  97  11.773   9.981 -14.331
  639   2HG   ARG  97           HG1      ARG  97  10.926   8.897 -15.436
  640   1HD   ARG  97           HD2      ARG  97   9.093   8.875 -13.547
  641   2HD   ARG  97           HD1      ARG  97   9.860  10.384 -13.055
  642    HE   ARG  97           HE       ARG  97   7.992  10.348 -15.046
  643   1HH1  ARG  97          HH11      ARG  97  10.478  12.303 -14.420
  644   2HH1  ARG  97          HH12      ARG  97  10.900  12.689 -16.056
  645   1HH2  ARG  97          HH21      ARG  97   8.921  10.197 -17.434
  646   2HH2  ARG  97          HH22      ARG  97  10.018  11.497 -17.762
  647    H    LEU  98           HN       LEU  98  13.931   7.762 -11.880
  648    HA   LEU  98           HA       LEU  98  15.207  10.260 -12.269
  649   1HB   LEU  98           HB2      LEU  98  15.476   7.996 -10.380
  650   2HB   LEU  98           HB1      LEU  98  16.911   9.010 -10.543
  651    HG   LEU  98           HG       LEU  98  14.111   9.959  -9.869
  652   1HD1  LEU  98          HD13      LEU  98  16.543   9.292  -8.312
  653   2HD1  LEU  98          HD12      LEU  98  15.752  10.805  -7.873
  654   3HD1  LEU  98          HD11      LEU  98  14.851   9.290  -7.815
  655   1HD2  LEU  98          HD22      LEU  98  16.620  11.365 -10.692
  656   2HD2  LEU  98          HD21      LEU  98  14.940  11.786 -11.026
  657   3HD2  LEU  98          HD23      LEU  98  15.632  12.111  -9.436
  658    H    ILE  99           HN       ILE  99  16.488   6.963 -12.745
  659    HA   ILE  99           HA       ILE  99  19.045   7.897 -13.747
  660    HB   ILE  99           HB       ILE  99  19.330   5.531 -14.460
  661   1HG1  ILE  99          HG12      ILE  99  16.504   5.181 -13.415
  662   2HG1  ILE  99          HG11      ILE  99  16.913   5.260 -15.128
  663   1HG2  ILE  99          HG21      ILE  99  18.645   6.444 -11.763
  664   2HG2  ILE  99          HG23      ILE  99  18.391   4.711 -11.977
  665   3HG2  ILE  99          HG22      ILE  99  19.977   5.417 -12.293
  666   1HD1  ILE  99          HD13      ILE  99  18.703   3.388 -14.045
  667   2HD1  ILE  99          HD12      ILE  99  17.149   3.020 -13.297
  668   3HD1  ILE  99          HD11      ILE  99  17.299   3.041 -15.054
  669    H    LYS 100           HN       LYS 100  15.915   7.190 -15.156
  670    HA   LYS 100           HA       LYS 100  17.054   7.776 -17.859
  671   1HB   LYS 100           HB2      LYS 100  16.123   5.574 -17.889
  672   2HB   LYS 100           HB1      LYS 100  14.689   6.094 -17.003
  673   1HG   LYS 100           HG2      LYS 100  13.651   6.736 -18.899
  674   2HG   LYS 100           HG1      LYS 100  15.058   7.658 -19.430
  675   1HD   LYS 100           HD2      LYS 100  15.956   5.874 -20.608
  676   2HD   LYS 100           HD1      LYS 100  15.172   4.669 -19.586
  677   1HE   LYS 100           HE2      LYS 100  13.290   6.398 -21.046
  678   2HE   LYS 100           HE1      LYS 100  14.300   5.397 -22.091
  679   1HZ   LYS 100           HZ3      LYS 100  12.803   4.342 -19.758
  680   2HZ   LYS 100           HZ2      LYS 100  12.195   4.331 -21.345
  681   3HZ   LYS 100           HZ1      LYS 100  13.597   3.450 -20.962
  682    H    LYS 101           HN       LYS 101  16.672   9.910 -18.266
  683    HA   LYS 101           HA       LYS 101  15.494  11.926 -18.520
  684   1HB   LYS 101           HB2      LYS 101  13.661   9.771 -19.121
  685   2HB   LYS 101           HB1      LYS 101  12.797  11.116 -18.378
  686   1HG   LYS 101           HG2      LYS 101  14.560  12.350 -20.152
  687   2HG   LYS 101           HG1      LYS 101  13.989  10.932 -21.032
  688   1HD   LYS 101           HD2      LYS 101  11.738  12.058 -19.704
  689   2HD   LYS 101           HD1      LYS 101  12.589  13.379 -20.507
  690   1HE   LYS 101           HE2      LYS 101  11.182  12.584 -22.206
  691   2HE   LYS 101           HE1      LYS 101  12.695  11.742 -22.541
  692   1HZ   LYS 101           HZ3      LYS 101  10.570  10.581 -20.839
  693   2HZ   LYS 101           HZ2      LYS 101  10.627  10.338 -22.519
  694   3HZ   LYS 101           HZ1      LYS 101  11.899   9.791 -21.536
   
  No H/Q in entry =         694
  Start of MODEL   17
    1   1H    VAL  62           HT2      VAL  62 -13.155   8.671  10.496
    2   2H    VAL  62           HT1      VAL  62 -11.503   8.813  10.122
    3   3H    VAL  62           HT3      VAL  62 -12.623   8.475   8.894
    4    HA   VAL  62           HA       VAL  62 -12.411   6.311   9.220
    5    HB   VAL  62           HB       VAL  62 -10.087   6.897   9.799
    6   1HG1  VAL  62          HG13      VAL  62 -11.163   8.189  11.943
    7   2HG1  VAL  62          HG12      VAL  62 -10.587   6.709  12.711
    8   3HG1  VAL  62          HG11      VAL  62  -9.462   7.739  11.826
    9   1HG2  VAL  62          HG21      VAL  62 -11.557   4.607  10.870
   10   2HG2  VAL  62          HG23      VAL  62  -9.998   4.648  10.047
   11   3HG2  VAL  62          HG22      VAL  62 -10.087   4.943  11.784
   12    H    GLN  63           HN       GLN  63 -14.692   6.292   9.954
   13    HA   GLN  63           HA       GLN  63 -15.019   4.836  12.404
   14   1HB   GLN  63           HB2      GLN  63 -16.167   6.451  13.773
   15   2HB   GLN  63           HB1      GLN  63 -14.638   7.180  13.287
   16   1HG   GLN  63           HG2      GLN  63 -17.234   7.616  11.791
   17   2HG   GLN  63           HG1      GLN  63 -16.649   8.700  13.054
   18   1HE2  GLN  63          HE22      GLN  63 -15.298   9.311   9.396
   19   2HE2  GLN  63          HE21      GLN  63 -16.760   8.547   9.795
   20    H    LEU  64           HN       LEU  64 -17.418   4.498  12.865
   21    HA   LEU  64           HA       LEU  64 -18.822   4.223  10.285
   22   1HB   LEU  64           HB2      LEU  64 -18.720   2.702  12.625
   23   2HB   LEU  64           HB1      LEU  64 -20.326   3.431  12.652
   24    HG   LEU  64           HG       LEU  64 -20.307   1.253  11.451
   25   1HD1  LEU  64          HD11      LEU  64 -21.257   3.796  10.458
   26   2HD1  LEU  64          HD13      LEU  64 -20.894   2.718   9.111
   27   3HD1  LEU  64          HD12      LEU  64 -22.027   2.213  10.363
   28   1HD2  LEU  64          HD21      LEU  64 -17.883   2.170  10.448
   29   2HD2  LEU  64          HD23      LEU  64 -18.763   0.755   9.870
   30   3HD2  LEU  64          HD22      LEU  64 -18.972   2.311   9.067
   31    H    ALA  65           HN       ALA  65 -18.912   6.750  10.323
   32    HA   ALA  65           HA       ALA  65 -21.299   7.609  11.899
   33   1HB   ALA  65           HB3      ALA  65 -18.773   8.807  11.614
   34   2HB   ALA  65           HB2      ALA  65 -19.855   9.779  10.617
   35   3HB   ALA  65           HB1      ALA  65 -20.209   9.538  12.328
   36    H    HIS  66           HN       HIS  66 -20.135   6.935   8.753
   37    HA   HIS  66           HA       HIS  66 -22.724   7.585   7.585
   38   1HB   HIS  66           HB2      HIS  66 -20.339   9.341   7.142
   39   2HB   HIS  66           HB1      HIS  66 -21.417   9.032   5.780
   40    HD1  HIS  66           HD1      HIS  66 -21.229  10.794   9.063
   41    HD2  HIS  66           HD2      HIS  66 -24.098  10.030   6.136
   42    HE1  HIS  66           HE1      HIS  66 -23.190  12.315   9.569
   43    H    HIS  67           HN       HIS  67 -21.675   5.134   7.693
   44    HA   HIS  67           HA       HIS  67 -20.744   4.653   4.898
   45   1HB   HIS  67           HB2      HIS  67 -19.653   3.444   7.450
   46   2HB   HIS  67           HB1      HIS  67 -19.374   2.733   5.861
   47    HD1  HIS  67           HD1      HIS  67 -18.682   4.969   4.080
   48    HD2  HIS  67           HD2      HIS  67 -17.429   4.953   8.055
   49    HE1  HIS  67           HE1      HIS  67 -16.698   6.537   4.211
   50    H    PHE  68           HN       PHE  68 -21.321   2.484   4.108
   51    HA   PHE  68           HA       PHE  68 -23.986   1.714   4.905
   52   1HB   PHE  68           HB2      PHE  68 -22.145   1.105   2.772
   53   2HB   PHE  68           HB1      PHE  68 -22.813  -0.395   3.419
   54    HD1  PHE  68           HD1      PHE  68 -24.501   2.911   3.455
   55    HD2  PHE  68           HD2      PHE  68 -24.302  -0.972   1.629
   56    HE1  PHE  68           HE1      PHE  68 -26.640   3.354   2.281
   57    HE2  PHE  68           HE2      PHE  68 -26.443  -0.530   0.456
   58    HZ   PHE  68           HZ       PHE  68 -27.611   1.634   0.782
   59    H    SER  69           HN       SER  69 -23.880  -1.101   4.858
   60    HA   SER  69           HA       SER  69 -22.688  -1.604   7.538
   61   1HB   SER  69           HB2      SER  69 -25.157  -2.305   6.347
   62   2HB   SER  69           HB1      SER  69 -24.249  -3.806   6.516
   63    HG   SER  69           HG       SER  69 -23.991  -3.359   8.696
   64    H    GLU  70           HN       GLU  70 -21.101  -3.149   7.827
   65    HA   GLU  70           HA       GLU  70 -19.259  -4.457   7.159
   66   1HB   GLU  70           HB2      GLU  70 -21.739  -5.686   6.230
   67   2HB   GLU  70           HB1      GLU  70 -20.359  -6.149   5.233
   68   1HG   GLU  70           HG2      GLU  70 -19.757  -7.604   6.840
   69   2HG   GLU  70           HG1      GLU  70 -19.443  -6.230   7.901
   70    HA   PRO  71           HA       PRO  71 -18.806  -1.851   3.311
   71   1HB   PRO  71           HB2      PRO  71 -16.228  -1.115   4.368
   72   2HB   PRO  71           HB1      PRO  71 -17.640  -0.078   4.119
   73   1HG   PRO  71           HG2      PRO  71 -16.583  -1.025   6.623
   74   2HG   PRO  71           HG1      PRO  71 -18.010  -0.013   6.367
   75   1HD   PRO  71           HD2      PRO  71 -17.930  -2.786   7.157
   76   2HD   PRO  71           HD1      PRO  71 -19.359  -1.765   6.900
   77    H    GLU  72           HN       GLU  72 -18.535  -3.871   2.151
   78    HA   GLU  72           HA       GLU  72 -16.251  -5.574   2.473
   79   1HB   GLU  72           HB2      GLU  72 -16.884  -6.176  -0.022
   80   2HB   GLU  72           HB1      GLU  72 -17.948  -6.644   1.302
   81   1HG   GLU  72           HG2      GLU  72 -19.553  -5.087   0.749
   82   2HG   GLU  72           HG1      GLU  72 -18.373  -3.946   0.102
   83    H    ILE  73           HN       ILE  73 -16.682  -4.163  -0.716
   84    HA   ILE  73           HA       ILE  73 -14.018  -3.884  -1.359
   85    HB   ILE  73           HB       ILE  73 -16.103  -3.405  -2.796
   86   1HG1  ILE  73          HG12      ILE  73 -14.606  -1.375  -3.866
   87   2HG1  ILE  73          HG11      ILE  73 -13.420  -2.204  -2.857
   88   1HG2  ILE  73          HG22      ILE  73 -16.867  -1.572  -1.169
   89   2HG2  ILE  73          HG21      ILE  73 -15.604  -0.567  -1.880
   90   3HG2  ILE  73          HG23      ILE  73 -16.921  -1.171  -2.885
   91   1HD1  ILE  73          HD11      ILE  73 -14.785  -4.292  -4.060
   92   2HD1  ILE  73          HD13      ILE  73 -14.683  -3.089  -5.346
   93   3HD1  ILE  73          HD12      ILE  73 -13.212  -3.672  -4.566
   94    H    THR  74           HN       THR  74 -15.958  -1.736   0.654
   95    HA   THR  74           HA       THR  74 -14.111   0.446   0.762
   96    HB   THR  74           HB       THR  74 -15.433   0.176   3.281
   97    HG1  THR  74           HG1      THR  74 -17.596   0.168   2.019
   98   1HG2  THR  74          HG23      THR  74 -16.041   1.836   0.820
   99   2HG2  THR  74          HG22      THR  74 -16.681   2.144   2.435
  100   3HG2  THR  74          HG21      THR  74 -14.949   2.284   2.130
  101    H    LEU  75           HN       LEU  75 -14.509  -2.406   2.884
  102    HA   LEU  75           HA       LEU  75 -12.267  -1.694   4.573
  103   1HB   LEU  75           HB2      LEU  75 -14.266  -3.419   4.945
  104   2HB   LEU  75           HB1      LEU  75 -13.100  -4.551   4.259
  105    HG   LEU  75           HG       LEU  75 -12.818  -2.862   6.750
  106   1HD1  LEU  75          HD11      LEU  75 -13.704  -5.430   6.378
  107   2HD1  LEU  75          HD13      LEU  75 -11.985  -5.690   6.671
  108   3HD1  LEU  75          HD12      LEU  75 -12.962  -4.839   7.865
  109   1HD2  LEU  75          HD22      LEU  75 -10.701  -4.155   5.029
  110   2HD2  LEU  75          HD21      LEU  75 -10.706  -2.542   5.742
  111   3HD2  LEU  75          HD23      LEU  75 -10.457  -3.956   6.764
  112    H    ILE  76           HN       ILE  76 -12.625  -4.014   1.857
  113    HA   ILE  76           HA       ILE  76  -9.953  -4.965   1.917
  114    HB   ILE  76           HB       ILE  76 -11.647  -4.471  -0.554
  115   1HG1  ILE  76          HG12      ILE  76 -11.455  -6.995   1.110
  116   2HG1  ILE  76          HG11      ILE  76 -12.739  -5.806   1.325
  117   1HG2  ILE  76          HG22      ILE  76  -9.098  -5.078  -0.649
  118   2HG2  ILE  76          HG21      ILE  76  -9.647  -6.680  -0.157
  119   3HG2  ILE  76          HG23      ILE  76 -10.233  -5.970  -1.662
  120   1HD1  ILE  76          HD11      ILE  76 -12.185  -6.812  -1.439
  121   2HD1  ILE  76          HD13      ILE  76 -13.058  -7.863  -0.322
  122   3HD1  ILE  76          HD12      ILE  76 -13.707  -6.274  -0.727
  123    H    ILE  77           HN       ILE  77 -11.363  -2.186   0.173
  124    HA   ILE  77           HA       ILE  77  -8.954  -1.253  -1.015
  125    HB   ILE  77           HB       ILE  77 -11.461   0.164  -0.088
  126   1HG1  ILE  77          HG12      ILE  77 -10.291  -0.456  -2.820
  127   2HG1  ILE  77          HG11      ILE  77 -11.632  -1.312  -2.058
  128   1HG2  ILE  77          HG21      ILE  77  -9.546   1.732   0.074
  129   2HG2  ILE  77          HG23      ILE  77  -9.113   1.357  -1.595
  130   3HG2  ILE  77          HG22      ILE  77 -10.637   2.172  -1.240
  131   1HD1  ILE  77          HD12      ILE  77 -12.082   1.559  -2.055
  132   2HD1  ILE  77          HD11      ILE  77 -11.822   0.955  -3.691
  133   3HD1  ILE  77          HD13      ILE  77 -13.105   0.272  -2.693
  134    H    PHE  78           HN       PHE  78 -10.452  -0.475   2.123
  135    HA   PHE  78           HA       PHE  78  -8.488   1.352   3.036
  136   1HB   PHE  78           HB2      PHE  78 -10.645  -0.208   4.254
  137   2HB   PHE  78           HB1      PHE  78  -9.262  -0.022   5.330
  138    HD1  PHE  78           HD2      PHE  78 -10.923   2.153   2.752
  139    HD2  PHE  78           HD1      PHE  78  -9.498   1.771   6.787
  140    HE1  PHE  78           HE2      PHE  78 -11.582   4.501   3.208
  141    HE2  PHE  78           HE1      PHE  78 -10.155   4.119   7.241
  142    HZ   PHE  78           HZ       PHE  78 -11.196   5.484   5.452
  143    H    GLY  79           HN       GLY  79  -8.631  -2.207   3.451
  144   1HA   GLY  79           HA2      GLY  79  -6.247  -2.463   4.966
  145   2HA   GLY  79           HA1      GLY  79  -6.874  -3.716   3.892
  146    H    VAL  80           HN       VAL  80  -6.699  -2.504   1.412
  147    HA   VAL  80           HA       VAL  80  -3.962  -2.831   0.719
  148    HB   VAL  80           HB       VAL  80  -6.122  -1.261  -0.720
  149   1HG1  VAL  80          HG13      VAL  80  -3.539  -1.004  -1.281
  150   2HG1  VAL  80          HG12      VAL  80  -3.785  -2.562  -2.071
  151   3HG1  VAL  80          HG11      VAL  80  -4.728  -1.159  -2.573
  152   1HG2  VAL  80          HG21      VAL  80  -6.122  -3.930  -0.122
  153   2HG2  VAL  80          HG23      VAL  80  -6.875  -3.249  -1.565
  154   3HG2  VAL  80          HG22      VAL  80  -5.253  -3.935  -1.657
  155    H    MET  81           HN       MET  81  -5.863   0.129   1.253
  156    HA   MET  81           HA       MET  81  -3.782   2.004   0.817
  157   1HB   MET  81           HB2      MET  81  -6.092   2.183   2.779
  158   2HB   MET  81           HB1      MET  81  -5.138   3.543   2.184
  159   1HG   MET  81           HG2      MET  81  -6.100   1.960  -0.036
  160   2HG   MET  81           HG1      MET  81  -7.446   2.444   0.996
  161   1HE   MET  81           HE2      MET  81  -7.980   3.424  -1.452
  162   2HE   MET  81           HE1      MET  81  -7.267   4.898  -2.103
  163   3HE   MET  81           HE3      MET  81  -6.365   3.377  -2.155
  164    H    ALA  82           HN       ALA  82  -4.816   0.393   3.829
  165    HA   ALA  82           HA       ALA  82  -2.961   1.637   5.558
  166   1HB   ALA  82           HB2      ALA  82  -4.702  -0.709   5.663
  167   2HB   ALA  82           HB1      ALA  82  -3.201  -0.949   6.565
  168   3HB   ALA  82           HB3      ALA  82  -4.251   0.415   6.941
  169    H    GLY  83           HN       GLY  83  -2.542  -1.398   3.647
  170   1HA   GLY  83           HA2      GLY  83   0.073  -1.971   4.590
  171   2HA   GLY  83           HA1      GLY  83  -0.535  -2.428   2.996
  172    H    VAL  84           HN       VAL  84  -1.005   0.006   1.822
  173    HA   VAL  84           HA       VAL  84   1.557   0.807   0.916
  174    HB   VAL  84           HB       VAL  84  -1.019   2.405   0.902
  175   1HG1  VAL  84          HG12      VAL  84   1.689   2.865  -0.169
  176   2HG1  VAL  84          HG11      VAL  84   0.402   3.048  -1.361
  177   3HG1  VAL  84          HG13      VAL  84   0.381   4.014   0.115
  178   1HG2  VAL  84          HG23      VAL  84   0.132   0.270  -0.892
  179   2HG2  VAL  84          HG22      VAL  84  -1.497   0.386  -0.225
  180   3HG2  VAL  84          HG21      VAL  84  -0.997   1.469  -1.524
  181    H    ILE  85           HN       ILE  85  -0.579   2.414   3.319
  182    HA   ILE  85           HA       ILE  85   1.117   4.616   3.832
  183    HB   ILE  85           HB       ILE  85  -1.321   3.874   4.747
  184   1HG1  ILE  85          HG12      ILE  85  -0.542   5.727   6.643
  185   2HG1  ILE  85          HG11      ILE  85   0.643   5.965   5.357
  186   1HG2  ILE  85          HG21      ILE  85  -0.397   2.232   6.351
  187   2HG2  ILE  85          HG23      ILE  85   0.561   3.508   7.100
  188   3HG2  ILE  85          HG22      ILE  85  -1.200   3.559   7.187
  189   1HD1  ILE  85          HD12      ILE  85  -2.324   5.794   4.799
  190   2HD1  ILE  85          HD11      ILE  85  -1.522   7.322   5.162
  191   3HD1  ILE  85          HD13      ILE  85  -1.052   6.396   3.737
  192    H    GLY  86           HN       GLY  86   1.057   1.429   5.483
  193   1HA   GLY  86           HA2      GLY  86   3.131   1.981   7.337
  194   2HA   GLY  86           HA1      GLY  86   2.757   0.371   6.714
  195    H    THR  87           HN       THR  87   3.312   0.630   4.042
  196    HA   THR  87           HA       THR  87   6.133   0.340   3.916
  197    HB   THR  87           HB       THR  87   4.401   1.184   1.583
  198    HG1  THR  87           HG1      THR  87   3.359  -0.515   2.593
  199   1HG2  THR  87          HG23      THR  87   6.932  -0.439   1.917
  200   2HG2  THR  87          HG22      THR  87   6.001  -0.417   0.420
  201   3HG2  THR  87          HG21      THR  87   6.731   1.069   1.026
  202    H    ILE  88           HN       ILE  88   4.067   3.107   3.036
  203    HA   ILE  88           HA       ILE  88   6.104   4.849   2.136
  204    HB   ILE  88           HB       ILE  88   3.509   5.456   3.583
  205   1HG1  ILE  88          HG12      ILE  88   4.334   5.379   0.666
  206   2HG1  ILE  88          HG11      ILE  88   3.146   4.348   1.463
  207   1HG2  ILE  88          HG21      ILE  88   5.708   7.180   3.006
  208   2HG2  ILE  88          HG23      ILE  88   4.404   7.584   1.889
  209   3HG2  ILE  88          HG22      ILE  88   4.119   7.620   3.630
  210   1HD1  ILE  88          HD11      ILE  88   2.167   6.823   2.070
  211   2HD1  ILE  88          HD13      ILE  88   2.874   7.123   0.483
  212   3HD1  ILE  88          HD12      ILE  88   1.647   5.871   0.678
  213    H    LEU  89           HN       LEU  89   4.798   4.427   5.447
  214    HA   LEU  89           HA       LEU  89   6.438   6.384   6.671
  215   1HB   LEU  89           HB2      LEU  89   5.591   5.623   8.653
  216   2HB   LEU  89           HB1      LEU  89   4.482   4.760   7.594
  217    HG   LEU  89           HG       LEU  89   6.204   2.838   7.659
  218   1HD1  LEU  89          HD12      LEU  89   7.422   4.810   9.451
  219   2HD1  LEU  89          HD11      LEU  89   7.230   3.227  10.203
  220   3HD1  LEU  89          HD13      LEU  89   8.140   3.384   8.701
  221   1HD2  LEU  89          HD23      LEU  89   4.667   3.684  10.128
  222   2HD2  LEU  89          HD22      LEU  89   4.067   2.686   8.803
  223   3HD2  LEU  89          HD21      LEU  89   5.322   2.066   9.874
  224    H    LEU  90           HN       LEU  90   7.083   2.904   6.121
  225    HA   LEU  90           HA       LEU  90   9.656   2.839   7.339
  226   1HB   LEU  90           HB2      LEU  90   8.453   1.287   5.037
  227   2HB   LEU  90           HB1      LEU  90  10.092   0.981   5.612
  228    HG   LEU  90           HG       LEU  90   7.562   0.830   7.279
  229   1HD1  LEU  90          HD13      LEU  90   9.452  -1.246   6.145
  230   2HD1  LEU  90          HD12      LEU  90   8.328  -1.597   7.458
  231   3HD1  LEU  90          HD11      LEU  90   7.714  -1.108   5.879
  232   1HD2  LEU  90          HD22      LEU  90  10.429   1.009   7.952
  233   2HD2  LEU  90          HD21      LEU  90   9.016   1.312   8.963
  234   3HD2  LEU  90          HD23      LEU  90   9.589  -0.338   8.721
  235    H    ILE  91           HN       ILE  91   8.733   3.557   3.967
  236    HA   ILE  91           HA       ILE  91  11.340   4.012   2.951
  237    HB   ILE  91           HB       ILE  91   8.782   5.442   2.167
  238   1HG1  ILE  91          HG12      ILE  91   9.984   2.929   0.973
  239   2HG1  ILE  91          HG11      ILE  91   8.706   2.899   2.188
  240   1HG2  ILE  91          HG22      ILE  91  11.531   5.253   1.032
  241   2HG2  ILE  91          HG21      ILE  91  10.187   5.185  -0.109
  242   3HG2  ILE  91          HG23      ILE  91  10.373   6.580   0.955
  243   1HD1  ILE  91          HD12      ILE  91   7.767   4.737   0.337
  244   2HD1  ILE  91          HD11      ILE  91   8.538   3.513  -0.670
  245   3HD1  ILE  91          HD13      ILE  91   7.260   3.052   0.455
  246    H    SER  92           HN       SER  92   9.061   6.337   4.442
  247    HA   SER  92           HA       SER  92  10.713   8.622   4.170
  248   1HB   SER  92           HB2      SER  92   9.368   8.654   6.723
  249   2HB   SER  92           HB1      SER  92   9.001   9.584   5.274
  250    HG   SER  92           HG       SER  92   7.503   8.180   4.754
  251    H    TYR  93           HN       TYR  93  10.541   6.239   6.839
  252    HA   TYR  93           HA       TYR  93  12.573   7.396   8.449
  253   1HB   TYR  93           HB2      TYR  93  11.043   5.445   9.050
  254   2HB   TYR  93           HB1      TYR  93  12.136   4.419   8.119
  255    HD1  TYR  93           HD1      TYR  93  14.687   4.627   8.702
  256    HD2  TYR  93           HD2      TYR  93  11.502   5.857  11.309
  257    HE1  TYR  93           HE1      TYR  93  16.227   4.502  10.642
  258    HE2  TYR  93           HE2      TYR  93  13.042   5.731  13.249
  259    HH   TYR  93           HH       TYR  93  16.448   4.745  12.831
  260    H    GLY  94           HN       GLY  94  12.846   4.932   5.860
  261   1HA   GLY  94           HA2      GLY  94  15.655   4.586   5.996
  262   2HA   GLY  94           HA1      GLY  94  14.691   4.343   4.538
  263    H    ILE  95           HN       ILE  95  13.732   6.873   4.035
  264    HA   ILE  95           HA       ILE  95  15.920   8.143   2.740
  265    HB   ILE  95           HB       ILE  95  13.160   9.092   3.519
  266   1HG1  ILE  95          HG12      ILE  95  13.748   9.328   0.752
  267   2HG1  ILE  95          HG11      ILE  95  14.395   7.771   1.272
  268   1HG2  ILE  95          HG22      ILE  95  15.489  10.724   2.752
  269   2HG2  ILE  95          HG21      ILE  95  14.076  10.969   1.725
  270   3HG2  ILE  95          HG23      ILE  95  13.955  11.220   3.467
  271   1HD1  ILE  95          HD12      ILE  95  11.872   8.059   2.532
  272   2HD1  ILE  95          HD11      ILE  95  11.649   8.523   0.845
  273   3HD1  ILE  95          HD13      ILE  95  12.308   6.938   1.243
  274    H    ARG  96           HN       ARG  96  14.330   8.943   5.834
  275    HA   ARG  96           HA       ARG  96  15.915  11.195   6.503
  276   1HB   ARG  96           HB2      ARG  96  13.849  10.222   7.728
  277   2HB   ARG  96           HB1      ARG  96  15.009   9.192   8.567
  278   1HG   ARG  96           HG2      ARG  96  15.200  10.933  10.012
  279   2HG   ARG  96           HG1      ARG  96  16.210  11.654   8.758
  280   1HD   ARG  96           HD2      ARG  96  14.406  13.195   9.523
  281   2HD   ARG  96           HD1      ARG  96  14.275  12.804   7.809
  282    HE   ARG  96           HE       ARG  96  12.676  10.908   9.050
  283   1HH1  ARG  96          HH11      ARG  96  12.477  13.311  11.022
  284   2HH1  ARG  96          HH12      ARG  96  11.003  14.031  10.466
  285   1HH2  ARG  96          HH21      ARG  96  10.959  12.274   7.477
  286   2HH2  ARG  96          HH22      ARG  96  10.143  13.444   8.459
  287    H    ARG  97           HN       ARG  97  16.456   7.747   7.254
  288    HA   ARG  97           HA       ARG  97  18.861   8.064   8.708
  289   1HB   ARG  97           HB2      ARG  97  17.467   5.923   8.323
  290   2HB   ARG  97           HB1      ARG  97  18.383   5.751   6.825
  291   1HG   ARG  97           HG2      ARG  97  20.485   6.039   8.290
  292   2HG   ARG  97           HG1      ARG  97  19.417   5.737   9.662
  293   1HD   ARG  97           HD2      ARG  97  19.009   3.811   7.503
  294   2HD   ARG  97           HD1      ARG  97  20.665   3.791   8.113
  295    HE   ARG  97           HE       ARG  97  19.129   3.778  10.411
  296   1HH1  ARG  97          HH21      ARG  97  17.590   2.327   7.953
  297   2HH1  ARG  97          HH22      ARG  97  17.773   0.692   8.495
  298   1HH2  ARG  97          HH11      ARG  97  20.100   1.485  10.941
  299   2HH2  ARG  97          HH12      ARG  97  19.195   0.216  10.186
  300    H    LEU  98           HN       LEU  98  18.407   7.581   5.192
  301    HA   LEU  98           HA       LEU  98  21.147   7.561   4.489
  302   1HB   LEU  98           HB2      LEU  98  19.993   7.061   2.593
  303   2HB   LEU  98           HB1      LEU  98  18.568   7.947   3.126
  304    HG   LEU  98           HG       LEU  98  19.611  10.062   2.445
  305   1HD1  LEU  98          HD13      LEU  98  21.972   8.387   2.379
  306   2HD1  LEU  98          HD12      LEU  98  21.759   9.204   0.831
  307   3HD1  LEU  98          HD11      LEU  98  21.860  10.147   2.319
  308   1HD2  LEU  98          HD22      LEU  98  18.392   8.378   0.818
  309   2HD2  LEU  98          HD21      LEU  98  19.197   9.803   0.162
  310   3HD2  LEU  98          HD23      LEU  98  19.994   8.232   0.095
  311    H    ILE  99           HN       ILE  99  18.884  10.306   4.769
  312    HA   ILE  99           HA       ILE  99  20.911  12.287   4.164
  313    HB   ILE  99           HB       ILE  99  19.207  13.897   5.019
  314   1HG1  ILE  99          HG12      ILE  99  17.573  11.397   5.552
  315   2HG1  ILE  99          HG11      ILE  99  18.372  12.334   6.814
  316   1HG2  ILE  99          HG22      ILE  99  19.157  12.907   2.681
  317   2HG2  ILE  99          HG21      ILE  99  17.955  11.760   3.273
  318   3HG2  ILE  99          HG23      ILE  99  17.600  13.488   3.271
  319   1HD1  ILE  99          HD13      ILE  99  16.972  14.224   5.274
  320   2HD1  ILE  99          HD12      ILE  99  15.861  12.867   5.465
  321   3HD1  ILE  99          HD11      ILE  99  16.547  13.653   6.887
  322    H    LYS 100           HN       LYS 100  19.791  10.690   7.079
  323    HA   LYS 100           HA       LYS 100  21.297  12.557   8.806
  324   1HB   LYS 100           HB2      LYS 100  19.009  11.328   9.325
  325   2HB   LYS 100           HB1      LYS 100  20.074  10.009   9.812
  326   1HG   LYS 100           HG2      LYS 100  21.174  11.379  11.445
  327   2HG   LYS 100           HG1      LYS 100  20.407  12.842  10.824
  328   1HD   LYS 100           HD2      LYS 100  18.842  12.507  12.424
  329   2HD   LYS 100           HD1      LYS 100  18.244  11.213  11.384
  330   1HE   LYS 100           HE2      LYS 100  19.135   9.560  12.696
  331   2HE   LYS 100           HE1      LYS 100  20.542  10.527  13.137
  332   1HZ   LYS 100           HZ1      LYS 100  18.430  11.857  14.239
  333   2HZ   LYS 100           HZ3      LYS 100  18.050  10.224  14.499
  334   3HZ   LYS 100           HZ2      LYS 100  19.523  10.853  15.066
  335    H    LYS 101           HN       LYS 101  22.917  11.621  10.355
  336    HA   LYS 101           HA       LYS 101  24.083   9.038   9.945
  337   1HB   LYS 101           HB2      LYS 101  24.739   9.973   7.766
  338   2HB   LYS 101           HB1      LYS 101  25.500  11.345   8.572
  339   1HG   LYS 101           HG2      LYS 101  27.301   9.877   8.170
  340   2HG   LYS 101           HG1      LYS 101  26.878   9.560   9.852
  341   1HD   LYS 101           HD2      LYS 101  26.285   7.432   9.394
  342   2HD   LYS 101           HD1      LYS 101  25.301   7.933   8.018
  343   1HE   LYS 101           HE2      LYS 101  26.902   7.292   6.571
  344   2HE   LYS 101           HE1      LYS 101  28.107   8.271   7.407
  345   1HZ   LYS 101           HZ1      LYS 101  27.957   6.323   9.125
  346   2HZ   LYS 101           HZ3      LYS 101  27.421   5.446   7.775
  347   3HZ   LYS 101           HZ2      LYS 101  28.945   6.197   7.749
  348   1H    VAL  62           HT2      VAL  62 -11.136 -18.130 -12.171
  349   2H    VAL  62           HT1      VAL  62  -9.693 -18.845 -12.716
  350   3H    VAL  62           HT3      VAL  62 -10.762 -18.141 -13.829
  351    HA   VAL  62           HA       VAL  62 -12.213 -19.872 -13.790
  352    HB   VAL  62           HB       VAL  62  -9.507 -20.993 -13.027
  353   1HG1  VAL  62          HG12      VAL  62 -12.115 -22.340 -13.586
  354   2HG1  VAL  62          HG11      VAL  62 -10.658 -23.056 -14.275
  355   3HG1  VAL  62          HG13      VAL  62 -10.796 -22.846 -12.530
  356   1HG2  VAL  62          HG23      VAL  62  -9.762 -19.716 -15.179
  357   2HG2  VAL  62          HG22      VAL  62  -9.315 -21.407 -15.415
  358   3HG2  VAL  62          HG21      VAL  62 -10.980 -20.890 -15.677
  359    H    GLN  63           HN       GLN  63 -13.686 -19.513 -12.035
  360    HA   GLN  63           HA       GLN  63 -13.614 -21.524  -9.964
  361   1HB   GLN  63           HB2      GLN  63 -13.698 -19.566  -8.146
  362   2HB   GLN  63           HB1      GLN  63 -12.172 -20.301  -8.636
  363   1HG   GLN  63           HG2      GLN  63 -11.500 -18.451  -9.814
  364   2HG   GLN  63           HG1      GLN  63 -13.142 -18.034 -10.299
  365   1HE2  GLN  63          HE22      GLN  63 -13.546 -15.718  -7.685
  366   2HE2  GLN  63          HE21      GLN  63 -14.100 -16.328  -9.169
  367    H    LEU  64           HN       LEU  64 -15.729 -21.985  -9.631
  368    HA   LEU  64           HA       LEU  64 -17.744 -19.889 -10.280
  369   1HB   LEU  64           HB2      LEU  64 -17.603 -22.789 -10.587
  370   2HB   LEU  64           HB1      LEU  64 -19.097 -22.273  -9.804
  371    HG   LEU  64           HG       LEU  64 -19.497 -20.658 -11.629
  372   1HD1  LEU  64          HD11      LEU  64 -16.929 -21.841 -12.719
  373   2HD1  LEU  64          HD13      LEU  64 -18.040 -20.865 -13.679
  374   3HD1  LEU  64          HD12      LEU  64 -17.223 -20.158 -12.284
  375   1HD2  LEU  64          HD21      LEU  64 -19.323 -23.573 -11.971
  376   2HD2  LEU  64          HD23      LEU  64 -20.649 -22.475 -12.354
  377   3HD2  LEU  64          HD22      LEU  64 -19.322 -22.687 -13.496
  378    H    ALA  65           HN       ALA  65 -16.369 -19.698  -7.767
  379    HA   ALA  65           HA       ALA  65 -18.645 -20.322  -5.932
  380   1HB   ALA  65           HB2      ALA  65 -15.675 -20.451  -5.332
  381   2HB   ALA  65           HB1      ALA  65 -16.946 -20.604  -4.119
  382   3HB   ALA  65           HB3      ALA  65 -16.794 -21.814  -5.394
  383    H    HIS  66           HN       HIS  66 -17.981 -17.851  -7.465
  384    HA   HIS  66           HA       HIS  66 -17.555 -16.028  -5.130
  385   1HB   HIS  66           HB2      HIS  66 -16.428 -14.478  -6.540
  386   2HB   HIS  66           HB1      HIS  66 -15.750 -16.053  -6.954
  387    HD1  HIS  66           HD1      HIS  66 -17.004 -17.257  -9.096
  388    HD2  HIS  66           HD2      HIS  66 -17.451 -13.128  -8.729
  389    HE1  HIS  66           HE1      HIS  66 -17.764 -16.413 -11.360
  390    H    HIS  67           HN       HIS  67 -19.406 -14.976  -4.614
  391    HA   HIS  67           HA       HIS  67 -21.197 -14.118  -6.838
  392   1HB   HIS  67           HB2      HIS  67 -23.044 -14.597  -4.945
  393   2HB   HIS  67           HB1      HIS  67 -22.561 -15.822  -6.117
  394    HD1  HIS  67           HD1      HIS  67 -22.366 -14.950  -2.501
  395    HD2  HIS  67           HD2      HIS  67 -20.780 -17.835  -5.059
  396    HE1  HIS  67           HE1      HIS  67 -21.379 -16.754  -1.022
  397    H    PHE  68           HN       PHE  68 -20.815 -13.835  -3.280
  398    HA   PHE  68           HA       PHE  68 -21.189 -10.887  -3.633
  399   1HB   PHE  68           HB2      PHE  68 -22.612 -12.766  -1.965
  400   2HB   PHE  68           HB1      PHE  68 -21.789 -11.574  -0.957
  401    HD1  PHE  68           HD2      PHE  68 -23.397 -11.424  -4.345
  402    HD2  PHE  68           HD1      PHE  68 -23.250  -9.862  -0.348
  403    HE1  PHE  68           HE2      PHE  68 -25.106  -9.729  -4.947
  404    HE2  PHE  68           HE1      PHE  68 -24.959  -8.167  -0.947
  405    HZ   PHE  68           HZ       PHE  68 -25.886  -8.100  -3.247
  406    H    SER  69           HN       SER  69 -18.651 -12.108  -3.801
  407    HA   SER  69           HA       SER  69 -16.514 -12.092  -2.813
  408   1HB   SER  69           HB2      SER  69 -17.561  -9.567  -2.801
  409   2HB   SER  69           HB1      SER  69 -17.197  -9.787  -1.091
  410    HG   SER  69           HG       SER  69 -15.300 -10.585  -2.988
  411    H    GLU  70           HN       GLU  70 -18.253 -13.859  -1.490
  412    HA   GLU  70           HA       GLU  70 -18.689 -13.604   1.229
  413   1HB   GLU  70           HB2      GLU  70 -18.301 -15.797  -0.602
  414   2HB   GLU  70           HB1      GLU  70 -17.517 -16.163   0.935
  415   1HG   GLU  70           HG2      GLU  70 -20.321 -15.051   0.832
  416   2HG   GLU  70           HG1      GLU  70 -20.015 -16.783   0.707
  417    HA   PRO  71           HA       PRO  71 -14.085 -14.867   2.120
  418   1HB   PRO  71           HB2      PRO  71 -12.554 -14.181  -0.225
  419   2HB   PRO  71           HB1      PRO  71 -12.745 -15.772   0.523
  420   1HG   PRO  71           HG2      PRO  71 -13.881 -14.863  -1.954
  421   2HG   PRO  71           HG1      PRO  71 -14.116 -16.431  -1.172
  422   1HD   PRO  71           HD2      PRO  71 -16.001 -14.253  -1.397
  423   2HD   PRO  71           HD1      PRO  71 -16.252 -15.847  -0.657
  424    H    GLU  72           HN       GLU  72 -15.171 -12.620   2.849
  425    HA   GLU  72           HA       GLU  72 -14.125 -10.192   1.716
  426   1HB   GLU  72           HB2      GLU  72 -16.144 -10.613   3.365
  427   2HB   GLU  72           HB1      GLU  72 -14.913 -10.367   4.604
  428   1HG   GLU  72           HG2      GLU  72 -15.680  -8.187   4.258
  429   2HG   GLU  72           HG1      GLU  72 -14.285  -8.256   3.180
  430    H    ILE  73           HN       ILE  73 -13.405 -11.347   5.032
  431    HA   ILE  73           HA       ILE  73 -11.104  -9.900   5.480
  432    HB   ILE  73           HB       ILE  73 -12.283 -11.600   7.017
  433   1HG1  ILE  73          HG12      ILE  73  -9.701 -12.243   7.785
  434   2HG1  ILE  73          HG11      ILE  73  -9.487 -10.774   6.833
  435   1HG2  ILE  73          HG22      ILE  73 -12.019 -13.535   5.475
  436   2HG2  ILE  73          HG21      ILE  73 -10.270 -13.438   5.684
  437   3HG2  ILE  73          HG23      ILE  73 -11.300 -13.845   7.057
  438   1HD1  ILE  73          HD13      ILE  73 -11.680 -10.100   8.292
  439   2HD1  ILE  73          HD12      ILE  73 -10.844 -11.151   9.436
  440   3HD1  ILE  73          HD11      ILE  73 -10.029  -9.728   8.787
  441    H    THR  74           HN       THR  74 -11.279 -13.052   3.811
  442    HA   THR  74           HA       THR  74  -8.522 -13.383   3.295
  443    HB   THR  74           HB       THR  74  -9.185 -14.840   1.469
  444    HG1  THR  74           HG1      THR  74 -10.749 -14.134   0.287
  445   1HG2  THR  74          HG22      THR  74  -9.670 -15.599   3.786
  446   2HG2  THR  74          HG21      THR  74 -11.290 -14.917   3.649
  447   3HG2  THR  74          HG23      THR  74 -10.809 -16.263   2.616
  448    H    LEU  75           HN       LEU  75 -10.981 -11.664   1.354
  449    HA   LEU  75           HA       LEU  75  -9.103 -10.803  -0.663
  450   1HB   LEU  75           HB2      LEU  75 -11.809 -10.763  -0.532
  451   2HB   LEU  75           HB1      LEU  75 -11.466  -9.086  -0.106
  452    HG   LEU  75           HG       LEU  75 -10.687 -10.567  -2.623
  453   1HD1  LEU  75          HD13      LEU  75 -12.783  -8.808  -1.912
  454   2HD1  LEU  75          HD12      LEU  75 -11.677  -7.871  -2.917
  455   3HD1  LEU  75          HD11      LEU  75 -12.366  -9.375  -3.530
  456   1HD2  LEU  75          HD21      LEU  75  -9.561  -8.013  -1.455
  457   2HD2  LEU  75          HD23      LEU  75  -8.676  -9.422  -2.038
  458   3HD2  LEU  75          HD22      LEU  75  -9.497  -8.360  -3.183
  459    H    ILE  76           HN       ILE  76 -10.449  -9.163   2.226
  460    HA   ILE  76           HA       ILE  76  -9.118  -6.694   1.854
  461    HB   ILE  76           HB       ILE  76  -9.679  -8.096   4.486
  462   1HG1  ILE  76          HG12      ILE  76 -11.426  -6.083   3.058
  463   2HG1  ILE  76          HG11      ILE  76 -11.619  -7.819   2.817
  464   1HG2  ILE  76          HG23      ILE  76  -9.293  -5.177   3.756
  465   2HG2  ILE  76          HG22      ILE  76  -9.797  -5.760   5.342
  466   3HG2  ILE  76          HG21      ILE  76  -8.196  -6.164   4.723
  467   1HD1  ILE  76          HD13      ILE  76 -11.417  -7.128   5.644
  468   2HD1  ILE  76          HD12      ILE  76 -12.771  -6.314   4.860
  469   3HD1  ILE  76          HD11      ILE  76 -12.649  -8.073   4.809
  470    H    ILE  77           HN       ILE  77  -7.979  -9.613   3.627
  471    HA   ILE  77           HA       ILE  77  -5.453  -8.525   4.357
  472    HB   ILE  77           HB       ILE  77  -6.655 -10.890   4.870
  473   1HG1  ILE  77          HG12      ILE  77  -4.762  -9.829   6.086
  474   2HG1  ILE  77          HG11      ILE  77  -4.548 -11.570   5.906
  475   1HG2  ILE  77          HG23      ILE  77  -4.545 -11.509   2.779
  476   2HG2  ILE  77          HG22      ILE  77  -5.309 -12.703   3.827
  477   3HG2  ILE  77          HG21      ILE  77  -6.271 -11.828   2.639
  478   1HD1  ILE  77          HD12      ILE  77  -3.278 -10.901   3.702
  479   2HD1  ILE  77          HD11      ILE  77  -3.122  -9.334   4.497
  480   3HD1  ILE  77          HD13      ILE  77  -2.452 -10.779   5.256
  481    H    PHE  78           HN       PHE  78  -6.438 -10.349   1.464
  482    HA   PHE  78           HA       PHE  78  -3.936 -10.361   0.136
  483   1HB   PHE  78           HB2      PHE  78  -6.693 -10.134  -1.111
  484   2HB   PHE  78           HB1      PHE  78  -5.227 -10.683  -1.926
  485    HD1  PHE  78           HD2      PHE  78  -4.209 -12.115   0.718
  486    HD2  PHE  78           HD1      PHE  78  -7.835 -12.282  -1.578
  487    HE1  PHE  78           HE2      PHE  78  -4.617 -14.420   1.532
  488    HE2  PHE  78           HE1      PHE  78  -8.243 -14.590  -0.763
  489    HZ   PHE  78           HZ       PHE  78  -6.634 -15.658   0.792
  490    H    GLY  79           HN       GLY  79  -6.575  -7.957  -0.007
  491   1HA   GLY  79           HA2      GLY  79  -5.366  -6.203  -1.871
  492   2HA   GLY  79           HA1      GLY  79  -6.501  -5.688  -0.623
  493    H    VAL  80           HN       VAL  80  -5.081  -6.225   1.709
  494    HA   VAL  80           HA       VAL  80  -3.358  -3.982   1.913
  495    HB   VAL  80           HB       VAL  80  -3.302  -6.489   3.614
  496   1HG1  VAL  80          HG11      VAL  80  -2.316  -3.655   3.988
  497   2HG1  VAL  80          HG13      VAL  80  -2.605  -4.732   5.355
  498   3HG1  VAL  80          HG12      VAL  80  -1.400  -5.154   4.138
  499   1HG2  VAL  80          HG22      VAL  80  -5.439  -4.727   3.161
  500   2HG2  VAL  80          HG21      VAL  80  -5.275  -5.842   4.516
  501   3HG2  VAL  80          HG23      VAL  80  -4.725  -4.175   4.676
  502    H    MET  81           HN       MET  81  -2.552  -7.441   1.509
  503    HA   MET  81           HA       MET  81   0.272  -7.127   1.400
  504   1HB   MET  81           HB2      MET  81  -1.375  -9.109  -0.200
  505   2HB   MET  81           HB1      MET  81   0.312  -9.281   0.287
  506   1HG   MET  81           HG2      MET  81  -1.174  -8.742   2.647
  507   2HG   MET  81           HG1      MET  81  -2.054  -9.987   1.759
  508   1HE   MET  81           HE3      MET  81   1.294  -8.696   2.846
  509   2HE   MET  81           HE2      MET  81   2.356 -10.093   3.002
  510   3HE   MET  81           HE1      MET  81   1.913  -9.506   1.401
  511    H    ALA  82           HN       ALA  82  -2.164  -7.081  -1.192
  512    HA   ALA  82           HA       ALA  82  -0.406  -6.649  -3.361
  513   1HB   ALA  82           HB3      ALA  82  -3.288  -6.412  -2.888
  514   2HB   ALA  82           HB2      ALA  82  -2.691  -5.238  -4.065
  515   3HB   ALA  82           HB1      ALA  82  -2.423  -6.960  -4.321
  516    H    GLY  83           HN       GLY  83  -2.039  -4.201  -1.280
  517   1HA   GLY  83           HA2      GLY  83  -1.075  -1.919  -2.651
  518   2HA   GLY  83           HA1      GLY  83  -1.460  -1.955  -0.929
  519    H    VAL  84           HN       VAL  84   0.399  -3.738   0.052
  520    HA   VAL  84           HA       VAL  84   2.735  -2.150   0.312
  521    HB   VAL  84           HB       VAL  84   2.278  -5.112   0.745
  522   1HG1  VAL  84          HG11      VAL  84   4.759  -3.612   0.644
  523   2HG1  VAL  84          HG13      VAL  84   4.483  -4.256   2.263
  524   3HG1  VAL  84          HG12      VAL  84   4.516  -5.343   0.874
  525   1HG2  VAL  84          HG21      VAL  84   1.915  -2.633   2.295
  526   2HG2  VAL  84          HG23      VAL  84   1.179  -4.219   2.524
  527   3HG2  VAL  84          HG22      VAL  84   2.791  -3.894   3.163
  528    H    ILE  85           HN       ILE  85   2.168  -5.020  -1.756
  529    HA   ILE  85           HA       ILE  85   4.740  -5.140  -2.925
  530    HB   ILE  85           HB       ILE  85   2.073  -5.791  -4.212
  531   1HG1  ILE  85          HG12      ILE  85   2.586  -6.919  -2.004
  532   2HG1  ILE  85          HG11      ILE  85   2.418  -8.030  -3.365
  533   1HG2  ILE  85          HG21      ILE  85   4.908  -6.664  -4.850
  534   2HG2  ILE  85          HG23      ILE  85   3.457  -7.336  -5.594
  535   3HG2  ILE  85          HG22      ILE  85   3.880  -5.643  -5.857
  536   1HD1  ILE  85          HD13      ILE  85   5.154  -7.071  -3.107
  537   2HD1  ILE  85          HD12      ILE  85   4.603  -7.864  -1.630
  538   3HD1  ILE  85          HD11      ILE  85   4.552  -8.728  -3.166
  539    H    GLY  86           HN       GLY  86   1.853  -3.330  -4.066
  540   1HA   GLY  86           HA2      GLY  86   3.033  -2.256  -6.405
  541   2HA   GLY  86           HA1      GLY  86   1.740  -1.470  -5.498
  542    H    THR  87           HN       THR  87   2.961  -0.920  -3.088
  543    HA   THR  87           HA       THR  87   4.438   1.443  -3.631
  544    HB   THR  87           HB       THR  87   4.556  -0.234  -1.107
  545    HG1  THR  87           HG1      THR  87   2.424   0.301  -1.749
  546   1HG2  THR  87          HG22      THR  87   5.434   2.506  -1.884
  547   2HG2  THR  87          HG21      THR  87   4.718   2.317  -0.284
  548   3HG2  THR  87          HG23      THR  87   6.148   1.385  -0.726
  549    H    ILE  88           HN       ILE  88   5.558  -1.796  -2.671
  550    HA   ILE  88           HA       ILE  88   8.332  -1.252  -2.586
  551    HB   ILE  88           HB       ILE  88   6.827  -3.767  -3.346
  552   1HG1  ILE  88          HG12      ILE  88   8.160  -2.739  -0.826
  553   2HG1  ILE  88          HG11      ILE  88   6.458  -3.145  -1.053
  554   1HG2  ILE  88          HG23      ILE  88   9.142  -3.707  -4.311
  555   2HG2  ILE  88          HG22      ILE  88   9.771  -3.474  -2.680
  556   3HG2  ILE  88          HG21      ILE  88   8.926  -4.965  -3.094
  557   1HD1  ILE  88          HD12      ILE  88   8.746  -5.127  -1.237
  558   2HD1  ILE  88          HD11      ILE  88   7.697  -4.928   0.167
  559   3HD1  ILE  88          HD13      ILE  88   7.028  -5.503  -1.360
  560    H    LEU  89           HN       LEU  89   6.331  -2.326  -5.358
  561    HA   LEU  89           HA       LEU  89   8.444  -2.484  -7.232
  562   1HB   LEU  89           HB2      LEU  89   6.792  -2.959  -8.708
  563   2HB   LEU  89           HB1      LEU  89   5.712  -2.871  -7.324
  564    HG   LEU  89           HG       LEU  89   5.487  -0.370  -7.839
  565   1HD1  LEU  89          HD13      LEU  89   7.270  -1.275 -10.015
  566   2HD1  LEU  89          HD12      LEU  89   5.908  -0.286 -10.543
  567   3HD1  LEU  89          HD11      LEU  89   7.043   0.342  -9.347
  568   1HD2  LEU  89          HD22      LEU  89   4.403  -2.684  -9.331
  569   2HD2  LEU  89          HD21      LEU  89   3.552  -1.399  -8.475
  570   3HD2  LEU  89          HD23      LEU  89   4.167  -1.116 -10.103
  571    H    LEU  90           HN       LEU  90   6.389   0.316  -6.375
  572    HA   LEU  90           HA       LEU  90   7.572   2.171  -8.189
  573   1HB   LEU  90           HB2      LEU  90   5.891   2.323  -5.806
  574   2HB   LEU  90           HB1      LEU  90   7.060   3.642  -5.857
  575    HG   LEU  90           HG       LEU  90   5.054   4.333  -7.044
  576   1HD1  LEU  90          HD11      LEU  90   7.655   4.071  -8.276
  577   2HD1  LEU  90          HD13      LEU  90   6.395   4.002  -9.508
  578   3HD1  LEU  90          HD12      LEU  90   6.490   5.388  -8.420
  579   1HD2  LEU  90          HD21      LEU  90   4.953   1.613  -7.786
  580   2HD2  LEU  90          HD23      LEU  90   3.820   2.881  -8.252
  581   3HD2  LEU  90          HD22      LEU  90   5.197   2.505  -9.288
  582    H    ILE  91           HN       ILE  91   8.483   1.342  -4.840
  583    HA   ILE  91           HA       ILE  91  10.713   3.083  -4.608
  584    HB   ILE  91           HB       ILE  91  10.270   0.327  -3.418
  585   1HG1  ILE  91          HG12      ILE  91   9.982   3.032  -2.096
  586   2HG1  ILE  91          HG11      ILE  91   8.634   2.246  -2.918
  587   1HG2  ILE  91          HG21      ILE  91  12.681   1.183  -3.495
  588   2HG2  ILE  91          HG23      ILE  91  12.149   2.479  -2.423
  589   3HG2  ILE  91          HG22      ILE  91  12.047   0.800  -1.895
  590   1HD1  ILE  91          HD11      ILE  91   9.147   0.195  -1.464
  591   2HD1  ILE  91          HD13      ILE  91  10.171   1.265  -0.507
  592   3HD1  ILE  91          HD12      ILE  91   8.441   1.584  -0.639
  593    H    SER  92           HN       SER  92  10.577  -0.284  -5.805
  594    HA   SER  92           HA       SER  92  13.344  -0.580  -6.313
  595   1HB   SER  92           HB2      SER  92  10.860  -1.870  -7.229
  596   2HB   SER  92           HB1      SER  92  12.184  -1.965  -8.386
  597    HG   SER  92           HG       SER  92  13.379  -2.508  -6.242
  598    H    TYR  93           HN       TYR  93  10.777   0.669  -8.491
  599    HA   TYR  93           HA       TYR  93  12.469   1.199 -10.709
  600   1HB   TYR  93           HB2      TYR  93   9.795   1.944  -9.852
  601   2HB   TYR  93           HB1      TYR  93  10.604   3.300 -10.640
  602    HD1  TYR  93           HD1      TYR  93  12.068   2.525 -12.791
  603    HD2  TYR  93           HD2      TYR  93   8.613   0.499 -11.238
  604    HE1  TYR  93           HE1      TYR  93  11.696   1.465 -15.002
  605    HE2  TYR  93           HE2      TYR  93   8.241  -0.561 -13.450
  606    HH   TYR  93           HH       TYR  93   8.805  -0.417 -15.673
  607    H    GLY  94           HN       GLY  94  11.589   3.309  -7.956
  608   1HA   GLY  94           HA2      GLY  94  13.138   5.563  -8.713
  609   2HA   GLY  94           HA1      GLY  94  12.726   5.148  -7.047
  610    H    ILE  95           HN       ILE  95  13.977   2.738  -6.730
  611    HA   ILE  95           HA       ILE  95  16.656   3.460  -6.137
  612    HB   ILE  95           HB       ILE  95  15.141   0.884  -6.261
  613   1HG1  ILE  95          HG12      ILE  95  15.210   2.286  -4.218
  614   2HG1  ILE  95          HG11      ILE  95  15.986   0.726  -3.947
  615   1HG2  ILE  95          HG21      ILE  95  18.092   1.118  -6.609
  616   2HG2  ILE  95          HG23      ILE  95  17.513  -0.095  -5.466
  617   3HG2  ILE  95          HG22      ILE  95  16.992  -0.151  -7.151
  618   1HD1  ILE  95          HD12      ILE  95  17.893   2.649  -4.981
  619   2HD1  ILE  95          HD11      ILE  95  17.118   3.261  -3.520
  620   3HD1  ILE  95          HD13      ILE  95  17.957   1.710  -3.488
  621    H    ARG  96           HN       ARG  96  15.384   1.613  -8.938
  622    HA   ARG  96           HA       ARG  96  17.874   1.118 -10.192
  623   1HB   ARG  96           HB2      ARG  96  15.404   1.831 -11.767
  624   2HB   ARG  96           HB1      ARG  96  16.649   0.645 -12.154
  625   1HG   ARG  96           HG2      ARG  96  15.731  -0.274  -9.733
  626   2HG   ARG  96           HG1      ARG  96  14.258   0.368 -10.460
  627   1HD   ARG  96           HD2      ARG  96  15.712  -1.042 -12.481
  628   2HD   ARG  96           HD1      ARG  96  15.583  -2.084 -11.063
  629    HE   ARG  96           HE       ARG  96  13.022  -1.083 -11.370
  630   1HH1  ARG  96          HH21      ARG  96  13.228  -0.811 -14.218
  631   2HH1  ARG  96          HH22      ARG  96  12.954  -2.409 -14.829
  632   1HH2  ARG  96          HH11      ARG  96  13.565  -3.963 -11.790
  633   2HH2  ARG  96          HH12      ARG  96  13.144  -4.193 -13.455
  634    H    ARG  97           HN       ARG  97  15.683   3.925 -10.575
  635    HA   ARG  97           HA       ARG  97  17.288   5.308 -12.458
  636   1HB   ARG  97           HB2      ARG  97  15.079   6.134 -12.040
  637   2HB   ARG  97           HB1      ARG  97  15.403   6.317 -10.316
  638   1HG   ARG  97           HG2      ARG  97  16.599   8.263 -10.604
  639   2HG   ARG  97           HG1      ARG  97  17.190   7.786 -12.196
  640   1HD   ARG  97           HD2      ARG  97  15.641   9.228 -13.007
  641   2HD   ARG  97           HD1      ARG  97  14.467   7.973 -12.607
  642    HE   ARG  97           HE       ARG  97  14.745   9.377 -10.240
  643   1HH1  ARG  97          HH11      ARG  97  15.416  11.712 -12.039
  644   2HH1  ARG  97          HH12      ARG  97  13.851  12.406 -12.306
  645   1HH2  ARG  97          HH21      ARG  97  12.127   9.602 -11.218
  646   2HH2  ARG  97          HH22      ARG  97  11.990  11.212 -11.842
  647    H    LEU  98           HN       LEU  98  17.319   5.469  -8.899
  648    HA   LEU  98           HA       LEU  98  19.363   7.403  -8.619
  649   1HB   LEU  98           HB2      LEU  98  17.951   5.589  -6.925
  650   2HB   LEU  98           HB1      LEU  98  19.673   5.439  -6.568
  651    HG   LEU  98           HG       LEU  98  18.292   8.120  -6.794
  652   1HD1  LEU  98          HD11      LEU  98  18.744   6.377  -4.354
  653   2HD1  LEU  98          HD13      LEU  98  18.325   8.088  -4.278
  654   3HD1  LEU  98          HD12      LEU  98  17.194   6.935  -4.986
  655   1HD2  LEU  98          HD23      LEU  98  20.761   8.056  -7.027
  656   2HD2  LEU  98          HD22      LEU  98  20.277   8.871  -5.540
  657   3HD2  LEU  98          HD21      LEU  98  20.877   7.214  -5.482
  658    H    ILE  99           HN       ILE  99  19.658   3.847  -8.818
  659    HA   ILE  99           HA       ILE  99  22.581   3.999  -8.789
  660    HB   ILE  99           HB       ILE  99  22.337   1.510  -9.373
  661   1HG1  ILE  99          HG12      ILE  99  19.593   1.420  -8.440
  662   2HG1  ILE  99          HG11      ILE  99  19.711   2.359  -9.926
  663   1HG2  ILE  99          HG22      ILE  99  22.649   2.439  -7.066
  664   2HG2  ILE  99          HG21      ILE  99  20.895   2.504  -6.898
  665   3HG2  ILE  99          HG23      ILE  99  21.704   0.950  -7.092
  666   1HD1  ILE  99          HD13      ILE  99  21.364  -0.018 -10.088
  667   2HD1  ILE  99          HD12      ILE  99  19.695  -0.442  -9.709
  668   3HD1  ILE  99          HD11      ILE  99  20.058   0.502 -11.153
  669    H    LYS 100           HN       LYS 100  20.151   4.321 -11.170
  670    HA   LYS 100           HA       LYS 100  22.240   4.308 -13.269
  671   1HB   LYS 100           HB2      LYS 100  20.883   2.029 -13.020
  672   2HB   LYS 100           HB1      LYS 100  19.674   2.926 -13.938
  673   1HG   LYS 100           HG2      LYS 100  20.874   2.764 -15.841
  674   2HG   LYS 100           HG1      LYS 100  22.348   3.299 -15.033
  675   1HD   LYS 100           HD2      LYS 100  23.096   1.181 -15.266
  676   2HD   LYS 100           HD1      LYS 100  21.928   0.738 -14.020
  677   1HE   LYS 100           HE2      LYS 100  20.211   0.404 -15.798
  678   2HE   LYS 100           HE1      LYS 100  21.443   0.744 -17.013
  679   1HZ   LYS 100           HZ1      LYS 100  21.545  -1.449 -15.014
  680   2HZ   LYS 100           HZ3      LYS 100  21.180  -1.629 -16.661
  681   3HZ   LYS 100           HZ2      LYS 100  22.731  -1.120 -16.186
  682    H    LYS 101           HN       LYS 101  21.934   6.025 -14.615
  683    HA   LYS 101           HA       LYS 101  20.800   7.728 -15.798
  684   1HB   LYS 101           HB2      LYS 101  18.896   5.811 -15.665
  685   2HB   LYS 101           HB1      LYS 101  18.142   7.045 -14.654
  686   1HG   LYS 101           HG2      LYS 101  17.410   7.531 -16.865
  687   2HG   LYS 101           HG1      LYS 101  18.691   8.698 -16.540
  688   1HD   LYS 101           HD2      LYS 101  20.010   7.849 -18.168
  689   2HD   LYS 101           HD1      LYS 101  19.726   6.192 -17.633
  690   1HE   LYS 101           HE2      LYS 101  18.568   5.998 -19.581
  691   2HE   LYS 101           HE1      LYS 101  17.287   6.829 -18.698
  692   1HZ   LYS 101           HZ2      LYS 101  19.377   8.410 -20.026
  693   2HZ   LYS 101           HZ1      LYS 101  18.119   7.751 -20.962
  694   3HZ   LYS 101           HZ3      LYS 101  17.762   8.820 -19.694
   
  No H/Q in entry =         694
  Start of MODEL   18
    1   1H    VAL  62           HT1      VAL  62   0.688   0.742  21.258
    2   2H    VAL  62           HT3      VAL  62   1.224   2.242  21.843
    3   3H    VAL  62           HT2      VAL  62  -0.440   1.912  21.756
    4    HA   VAL  62           HA       VAL  62  -0.004   3.296  19.932
    5    HB   VAL  62           HB       VAL  62   2.319   1.430  19.358
    6   1HG1  VAL  62          HG11      VAL  62   0.816   3.241  17.686
    7   2HG1  VAL  62          HG13      VAL  62   2.469   3.830  17.869
    8   3HG1  VAL  62          HG12      VAL  62   2.175   2.205  17.250
    9   1HG2  VAL  62          HG23      VAL  62   2.052   3.784  21.006
   10   2HG2  VAL  62          HG22      VAL  62   3.484   2.791  20.727
   11   3HG2  VAL  62          HG21      VAL  62   3.117   4.136  19.645
   12    H    GLN  63           HN       GLN  63  -1.968   1.529  20.211
   13    HA   GLN  63           HA       GLN  63  -2.058  -0.756  18.559
   14   1HB   GLN  63           HB2      GLN  63  -4.543  -0.300  18.446
   15   2HB   GLN  63           HB1      GLN  63  -3.880  -0.299  20.080
   16   1HG   GLN  63           HG2      GLN  63  -4.555   1.822  20.388
   17   2HG   GLN  63           HG1      GLN  63  -3.639   2.342  18.973
   18   1HE2  GLN  63          HE22      GLN  63  -6.471   2.380  16.816
   19   2HE2  GLN  63          HE21      GLN  63  -4.775   2.410  16.889
   20    H    LEU  64           HN       LEU  64  -1.955  -0.984  16.377
   21    HA   LEU  64           HA       LEU  64  -2.441   1.453  14.708
   22   1HB   LEU  64           HB2      LEU  64  -0.393  -0.714  14.585
   23   2HB   LEU  64           HB1      LEU  64  -0.993  -0.083  13.052
   24    HG   LEU  64           HG       LEU  64  -0.393   2.019  15.011
   25   1HD1  LEU  64          HD12      LEU  64   1.659  -0.029  14.257
   26   2HD1  LEU  64          HD11      LEU  64   2.153   1.662  14.338
   27   3HD1  LEU  64          HD13      LEU  64   1.478   0.871  15.763
   28   1HD2  LEU  64          HD21      LEU  64  -0.619   1.697  12.238
   29   2HD2  LEU  64          HD23      LEU  64  -0.100   3.158  13.081
   30   3HD2  LEU  64          HD22      LEU  64   1.097   1.997  12.508
   31    H    ALA  65           HN       ALA  65  -2.533  -2.127  14.493
   32    HA   ALA  65           HA       ALA  65  -4.703  -1.885  12.482
   33   1HB   ALA  65           HB1      ALA  65  -2.691  -3.450  12.203
   34   2HB   ALA  65           HB3      ALA  65  -3.419  -4.438  13.470
   35   3HB   ALA  65           HB2      ALA  65  -4.282  -4.171  11.955
   36    H    HIS  66           HN       HIS  66  -6.383  -1.209  13.977
   37    HA   HIS  66           HA       HIS  66  -7.225  -3.357  15.881
   38   1HB   HIS  66           HB2      HIS  66  -6.652  -0.910  16.670
   39   2HB   HIS  66           HB1      HIS  66  -8.257  -0.542  16.037
   40    HD1  HIS  66           HD1      HIS  66  -9.238  -0.178  18.422
   41    HD2  HIS  66           HD2      HIS  66  -7.695  -4.000  17.801
   42    HE1  HIS  66           HE1      HIS  66 -10.047  -1.599  20.356
   43    H    HIS  67           HN       HIS  67  -8.919  -0.629  14.296
   44    HA   HIS  67           HA       HIS  67 -10.415  -2.046  12.412
   45   1HB   HIS  67           HB2      HIS  67 -11.262  -2.588  15.166
   46   2HB   HIS  67           HB1      HIS  67 -12.573  -1.993  14.148
   47    HD1  HIS  67           HD1      HIS  67 -12.335  -3.249  11.552
   48    HD2  HIS  67           HD2      HIS  67 -11.154  -5.331  14.965
   49    HE1  HIS  67           HE1      HIS  67 -12.346  -5.704  10.933
   50    H    PHE  68           HN       PHE  68 -11.495  -0.518  11.245
   51    HA   PHE  68           HA       PHE  68 -12.883   1.709  12.495
   52   1HB   PHE  68           HB2      PHE  68 -11.252   3.248  10.923
   53   2HB   PHE  68           HB1      PHE  68 -11.050   3.052  12.661
   54    HD1  PHE  68           HD1      PHE  68 -10.043   1.577   9.376
   55    HD2  PHE  68           HD2      PHE  68  -9.097   2.064  13.537
   56    HE1  PHE  68           HE1      PHE  68  -7.835   0.513   8.998
   57    HE2  PHE  68           HE2      PHE  68  -6.889   1.001  13.161
   58    HZ   PHE  68           HZ       PHE  68  -6.257   0.226  10.891
   59    H    SER  69           HN       SER  69 -13.562  -0.375  10.659
   60    HA   SER  69           HA       SER  69 -14.507   1.300   8.401
   61   1HB   SER  69           HB2      SER  69 -13.302  -1.427   7.895
   62   2HB   SER  69           HB1      SER  69 -13.754  -0.204   6.711
   63    HG   SER  69           HG       SER  69 -11.430  -0.536   7.969
   64    H    GLU  70           HN       GLU  70 -15.510  -1.123   7.018
   65    HA   GLU  70           HA       GLU  70 -17.029  -2.828   8.656
   66   1HB   GLU  70           HB2      GLU  70 -18.093  -0.093   8.494
   67   2HB   GLU  70           HB1      GLU  70 -19.267  -1.337   8.060
   68   1HG   GLU  70           HG2      GLU  70 -17.632  -1.965  10.437
   69   2HG   GLU  70           HG1      GLU  70 -18.714  -0.585  10.631
   70    HA   PRO  71           HA       PRO  71 -19.238  -2.484   4.346
   71   1HB   PRO  71           HB2      PRO  71 -17.679  -0.649   2.756
   72   2HB   PRO  71           HB1      PRO  71 -19.387  -0.532   3.199
   73   1HG   PRO  71           HG2      PRO  71 -17.206   1.041   4.225
   74   2HG   PRO  71           HG1      PRO  71 -18.909   1.126   4.686
   75   1HD   PRO  71           HD2      PRO  71 -16.719   0.071   6.228
   76   2HD   PRO  71           HD1      PRO  71 -18.434   0.153   6.679
   77    H    GLU  72           HN       GLU  72 -18.572  -3.782   2.525
   78    HA   GLU  72           HA       GLU  72 -16.114  -5.217   2.879
   79   1HB   GLU  72           HB2      GLU  72 -18.120  -5.094   0.622
   80   2HB   GLU  72           HB1      GLU  72 -16.686  -6.118   0.544
   81   1HG   GLU  72           HG2      GLU  72 -17.457  -6.989   2.872
   82   2HG   GLU  72           HG1      GLU  72 -19.020  -6.292   2.440
   83    H    ILE  73           HN       ILE  73 -16.795  -3.951  -0.325
   84    HA   ILE  73           HA       ILE  73 -14.254  -3.496  -1.200
   85    HB   ILE  73           HB       ILE  73 -16.515  -3.037  -2.377
   86   1HG1  ILE  73          HG12      ILE  73 -15.009  -0.908  -3.448
   87   2HG1  ILE  73          HG11      ILE  73 -13.841  -2.055  -2.794
   88   1HG2  ILE  73          HG23      ILE  73 -17.094  -1.220  -0.662
   89   2HG2  ILE  73          HG22      ILE  73 -15.919  -0.206  -1.498
   90   3HG2  ILE  73          HG21      ILE  73 -17.339  -0.802  -2.358
   91   1HD1  ILE  73          HD13      ILE  73 -15.866  -3.572  -4.087
   92   2HD1  ILE  73          HD12      ILE  73 -15.397  -2.280  -5.193
   93   3HD1  ILE  73          HD11      ILE  73 -14.179  -3.392  -4.569
   94    H    THR  74           HN       THR  74 -16.087  -1.326   0.917
   95    HA   THR  74           HA       THR  74 -14.225   0.832   0.949
   96    HB   THR  74           HB       THR  74 -15.966  -0.079   3.255
   97    HG1  THR  74           HG1      THR  74 -16.680   1.806   1.292
   98   1HG2  THR  74          HG22      THR  74 -14.106   1.929   3.159
   99   2HG2  THR  74          HG21      THR  74 -15.567   2.780   2.660
  100   3HG2  THR  74          HG23      THR  74 -15.524   1.935   4.207
  101    H    LEU  75           HN       LEU  75 -14.498  -2.028   3.069
  102    HA   LEU  75           HA       LEU  75 -12.116  -1.270   4.551
  103   1HB   LEU  75           HB2      LEU  75 -13.081  -2.670   6.021
  104   2HB   LEU  75           HB1      LEU  75 -14.178  -3.288   4.799
  105    HG   LEU  75           HG       LEU  75 -11.320  -4.260   4.965
  106   1HD1  LEU  75          HD11      LEU  75 -12.834  -4.490   7.132
  107   2HD1  LEU  75          HD13      LEU  75 -13.595  -5.778   6.196
  108   3HD1  LEU  75          HD12      LEU  75 -11.871  -5.857   6.564
  109   1HD2  LEU  75          HD23      LEU  75 -13.624  -4.785   3.313
  110   2HD2  LEU  75          HD22      LEU  75 -12.008  -5.477   3.188
  111   3HD2  LEU  75          HD21      LEU  75 -13.219  -6.242   4.213
  112    H    ILE  76           HN       ILE  76 -12.740  -3.758   2.018
  113    HA   ILE  76           HA       ILE  76 -10.091  -4.777   1.997
  114    HB   ILE  76           HB       ILE  76 -11.871  -4.431  -0.434
  115   1HG1  ILE  76          HG12      ILE  76 -11.795  -6.660   1.628
  116   2HG1  ILE  76          HG11      ILE  76 -13.098  -5.484   1.443
  117   1HG2  ILE  76          HG23      ILE  76  -9.421  -5.165  -0.665
  118   2HG2  ILE  76          HG22      ILE  76  -9.895  -6.628   0.198
  119   3HG2  ILE  76          HG21      ILE  76 -10.633  -6.244  -1.356
  120   1HD1  ILE  76          HD13      ILE  76 -12.785  -6.467  -1.126
  121   2HD1  ILE  76          HD12      ILE  76 -12.533  -7.895  -0.121
  122   3HD1  ILE  76          HD11      ILE  76 -14.028  -6.971   0.018
  123    H    ILE  77           HN       ILE  77 -11.496  -2.096   0.083
  124    HA   ILE  77           HA       ILE  77  -9.083  -1.369  -1.248
  125    HB   ILE  77           HB       ILE  77 -11.449  -0.485  -1.706
  126   1HG1  ILE  77          HG12      ILE  77 -10.135   2.001  -1.797
  127   2HG1  ILE  77          HG11      ILE  77  -8.856   0.792  -1.924
  128   1HG2  ILE  77          HG22      ILE  77 -10.652   1.378   0.550
  129   2HG2  ILE  77          HG21      ILE  77 -12.043   1.596  -0.511
  130   3HG2  ILE  77          HG23      ILE  77 -11.977   0.215   0.579
  131   1HD1  ILE  77          HD11      ILE  77 -11.352   0.448  -3.552
  132   2HD1  ILE  77          HD13      ILE  77 -10.126   1.594  -4.092
  133   3HD1  ILE  77          HD12      ILE  77  -9.713  -0.108  -3.892
  134    H    PHE  78           HN       PHE  78 -10.489  -0.290   1.820
  135    HA   PHE  78           HA       PHE  78  -8.492   1.568   2.574
  136   1HB   PHE  78           HB2      PHE  78 -10.630   0.086   3.923
  137   2HB   PHE  78           HB1      PHE  78  -9.236   0.362   4.964
  138    HD1  PHE  78           HD1      PHE  78 -10.608   2.445   2.173
  139    HD2  PHE  78           HD2      PHE  78  -9.826   2.131   6.385
  140    HE1  PHE  78           HE1      PHE  78 -11.297   4.809   2.478
  141    HE2  PHE  78           HE2      PHE  78 -10.515   4.494   6.689
  142    HZ   PHE  78           HZ       PHE  78 -11.251   5.833   4.737
  143    H    GLY  79           HN       GLY  79  -8.647  -1.954   3.250
  144   1HA   GLY  79           HA2      GLY  79  -6.266  -2.108   4.772
  145   2HA   GLY  79           HA1      GLY  79  -6.903  -3.435   3.797
  146    H    VAL  80           HN       VAL  80  -6.701  -2.413   1.220
  147    HA   VAL  80           HA       VAL  80  -3.954  -2.819   0.594
  148    HB   VAL  80           HB       VAL  80  -5.977  -1.255  -1.039
  149   1HG1  VAL  80          HG11      VAL  80  -3.250  -2.316  -1.497
  150   2HG1  VAL  80          HG13      VAL  80  -4.412  -2.647  -2.782
  151   3HG1  VAL  80          HG12      VAL  80  -4.089  -0.984  -2.293
  152   1HG2  VAL  80          HG23      VAL  80  -6.248  -3.861  -0.134
  153   2HG2  VAL  80          HG22      VAL  80  -7.012  -3.207  -1.582
  154   3HG2  VAL  80          HG21      VAL  80  -5.485  -4.079  -1.709
  155    H    MET  81           HN       MET  81  -5.833   0.196   0.880
  156    HA   MET  81           HA       MET  81  -3.726   2.023   0.351
  157   1HB   MET  81           HB2      MET  81  -6.039   2.381   2.285
  158   2HB   MET  81           HB1      MET  81  -5.091   3.671   1.544
  159   1HG   MET  81           HG2      MET  81  -6.154   1.805  -0.438
  160   2HG   MET  81           HG1      MET  81  -7.429   2.571   0.510
  161   1HE   MET  81           HE3      MET  81  -8.185   4.565   0.507
  162   2HE   MET  81           HE2      MET  81  -6.878   5.629   1.022
  163   3HE   MET  81           HE1      MET  81  -7.749   5.974  -0.470
  164    H    ALA  82           HN       ALA  82  -4.833   0.624   3.431
  165    HA   ALA  82           HA       ALA  82  -3.012   1.949   5.130
  166   1HB   ALA  82           HB2      ALA  82  -4.740  -0.422   5.314
  167   2HB   ALA  82           HB1      ALA  82  -3.291  -0.533   6.317
  168   3HB   ALA  82           HB3      ALA  82  -4.402   0.822   6.513
  169    H    GLY  83           HN       GLY  83  -2.585  -1.182   3.394
  170   1HA   GLY  83           HA2      GLY  83  -0.015  -1.764   4.435
  171   2HA   GLY  83           HA1      GLY  83  -0.583  -2.278   2.843
  172    H    VAL  84           HN       VAL  84  -0.935   0.131   1.534
  173    HA   VAL  84           HA       VAL  84   1.702   0.818   0.727
  174    HB   VAL  84           HB       VAL  84  -0.803   2.522   0.545
  175   1HG1  VAL  84          HG12      VAL  84   1.965   2.783  -0.464
  176   2HG1  VAL  84          HG11      VAL  84   0.704   3.055  -1.666
  177   3HG1  VAL  84          HG13      VAL  84   0.743   4.026  -0.194
  178   1HG2  VAL  84          HG21      VAL  84   0.013   0.045  -0.752
  179   2HG2  VAL  84          HG23      VAL  84  -1.534   0.887  -0.834
  180   3HG2  VAL  84          HG22      VAL  84  -0.226   1.338  -1.927
  181    H    ILE  85           HN       ILE  85  -0.520   2.522   2.951
  182    HA   ILE  85           HA       ILE  85   1.177   4.691   3.599
  183    HB   ILE  85           HB       ILE  85  -0.867   3.244   5.308
  184   1HG1  ILE  85          HG12      ILE  85  -1.321   5.957   4.181
  185   2HG1  ILE  85          HG11      ILE  85  -1.296   4.631   3.016
  186   1HG2  ILE  85          HG23      ILE  85   0.847   4.605   6.588
  187   2HG2  ILE  85          HG22      ILE  85   0.276   6.021   5.706
  188   3HG2  ILE  85          HG21      ILE  85  -0.820   5.150   6.778
  189   1HD1  ILE  85          HD11      ILE  85  -2.813   3.910   5.388
  190   2HD1  ILE  85          HD13      ILE  85  -3.453   5.376   4.644
  191   3HD1  ILE  85          HD12      ILE  85  -3.315   3.894   3.697
  192    H    GLY  86           HN       GLY  86   0.895   1.497   5.191
  193   1HA   GLY  86           HA2      GLY  86   2.786   1.940   7.241
  194   2HA   GLY  86           HA1      GLY  86   2.429   0.357   6.547
  195    H    THR  87           HN       THR  87   3.312   0.654   3.939
  196    HA   THR  87           HA       THR  87   6.108   0.243   4.169
  197    HB   THR  87           HB       THR  87   4.453   1.086   1.771
  198    HG1  THR  87           HG1      THR  87   4.026  -0.966   2.772
  199   1HG2  THR  87          HG23      THR  87   7.359   0.512   2.112
  200   2HG2  THR  87          HG22      THR  87   6.566  -0.137   0.676
  201   3HG2  THR  87          HG21      THR  87   6.553   1.600   0.982
  202    H    ILE  88           HN       ILE  88   4.316   3.153   3.129
  203    HA   ILE  88           HA       ILE  88   6.558   4.810   2.623
  204    HB   ILE  88           HB       ILE  88   3.855   5.595   3.759
  205   1HG1  ILE  88          HG12      ILE  88   4.879   5.395   0.908
  206   2HG1  ILE  88          HG11      ILE  88   3.667   4.350   1.651
  207   1HG2  ILE  88          HG23      ILE  88   5.952   7.217   3.758
  208   2HG2  ILE  88          HG22      ILE  88   5.567   7.355   2.042
  209   3HG2  ILE  88          HG21      ILE  88   4.367   7.803   3.253
  210   1HD1  ILE  88          HD12      ILE  88   2.474   6.669   2.159
  211   2HD1  ILE  88          HD11      ILE  88   3.433   7.202   0.778
  212   3HD1  ILE  88          HD13      ILE  88   2.283   5.878   0.595
  213    H    LEU  89           HN       LEU  89   4.734   4.325   5.657
  214    HA   LEU  89           HA       LEU  89   6.216   6.127   7.256
  215   1HB   LEU  89           HB2      LEU  89   4.616   5.427   8.682
  216   2HB   LEU  89           HB1      LEU  89   4.254   4.049   7.651
  217    HG   LEU  89           HG       LEU  89   6.201   2.845   8.718
  218   1HD1  LEU  89          HD12      LEU  89   6.294   5.448  10.170
  219   2HD1  LEU  89          HD11      LEU  89   6.609   3.990  11.111
  220   3HD1  LEU  89          HD13      LEU  89   7.612   4.369   9.713
  221   1HD2  LEU  89          HD23      LEU  89   3.948   3.807  10.508
  222   2HD2  LEU  89          HD22      LEU  89   3.923   2.388   9.461
  223   3HD2  LEU  89          HD21      LEU  89   4.987   2.427  10.868
  224    H    LEU  90           HN       LEU  90   6.797   2.651   6.635
  225    HA   LEU  90           HA       LEU  90   9.092   2.370   8.281
  226   1HB   LEU  90           HB2      LEU  90   8.464   1.038   5.626
  227   2HB   LEU  90           HB1      LEU  90   9.712   0.502   6.751
  228    HG   LEU  90           HG       LEU  90   6.985   0.894   7.877
  229   1HD1  LEU  90          HD13      LEU  90   7.702  -1.180   5.820
  230   2HD1  LEU  90          HD12      LEU  90   6.576  -1.583   7.115
  231   3HD1  LEU  90          HD11      LEU  90   6.204  -0.267   6.001
  232   1HD2  LEU  90          HD22      LEU  90   8.971   0.121   9.192
  233   2HD2  LEU  90          HD21      LEU  90   7.649  -1.047   9.199
  234   3HD2  LEU  90          HD23      LEU  90   9.052  -1.309   8.164
  235    H    ILE  91           HN       ILE  91   8.876   3.338   4.844
  236    HA   ILE  91           HA       ILE  91  11.660   3.670   4.396
  237    HB   ILE  91           HB       ILE  91   9.421   5.358   3.234
  238   1HG1  ILE  91          HG12      ILE  91  10.591   2.753   2.205
  239   2HG1  ILE  91          HG11      ILE  91   9.042   2.883   3.040
  240   1HG2  ILE  91          HG23      ILE  91  12.283   5.262   2.846
  241   2HG2  ILE  91          HG22      ILE  91  11.459   4.786   1.361
  242   3HG2  ILE  91          HG21      ILE  91  11.103   6.344   2.107
  243   1HD1  ILE  91          HD11      ILE  91   8.233   4.439   1.306
  244   2HD1  ILE  91          HD13      ILE  91   9.778   4.308   0.467
  245   3HD1  ILE  91          HD12      ILE  91   8.723   2.901   0.594
  246    H    SER  92           HN       SER  92   9.257   6.048   5.587
  247    HA   SER  92           HA       SER  92  11.064   8.218   5.845
  248   1HB   SER  92           HB2      SER  92   8.437   7.491   6.959
  249   2HB   SER  92           HB1      SER  92   9.391   8.531   8.012
  250    HG   SER  92           HG       SER  92   9.219   9.095   5.265
  251    H    TYR  93           HN       TYR  93  10.206   5.663   8.197
  252    HA   TYR  93           HA       TYR  93  11.918   6.526  10.289
  253   1HB   TYR  93           HB2      TYR  93  10.208   4.679  10.445
  254   2HB   TYR  93           HB1      TYR  93  11.330   3.643   9.562
  255    HD1  TYR  93           HD1      TYR  93  12.034   6.243  12.156
  256    HD2  TYR  93           HD2      TYR  93  12.094   2.069  11.142
  257    HE1  TYR  93           HE1      TYR  93  13.244   5.748  14.264
  258    HE2  TYR  93           HE2      TYR  93  13.302   1.574  13.250
  259    HH   TYR  93           HH       TYR  93  13.779   2.467  15.346
  260    H    GLY  94           HN       GLY  94  12.592   4.277   7.578
  261   1HA   GLY  94           HA2      GLY  94  15.279   3.695   8.259
  262   2HA   GLY  94           HA1      GLY  94  14.645   3.674   6.611
  263    H    ILE  95           HN       ILE  95  13.956   6.311   6.211
  264    HA   ILE  95           HA       ILE  95  16.438   7.539   5.567
  265    HB   ILE  95           HB       ILE  95  13.631   8.610   5.869
  266   1HG1  ILE  95          HG12      ILE  95  14.597   9.132   3.332
  267   2HG1  ILE  95          HG11      ILE  95  15.385   7.606   3.735
  268   1HG2  ILE  95          HG21      ILE  95  16.185  10.141   5.359
  269   2HG2  ILE  95          HG23      ILE  95  14.631  10.716   4.757
  270   3HG2  ILE  95          HG22      ILE  95  14.888  10.523   6.491
  271   1HD1  ILE  95          HD13      ILE  95  12.502   7.808   4.421
  272   2HD1  ILE  95          HD12      ILE  95  12.889   7.741   2.702
  273   3HD1  ILE  95          HD11      ILE  95  13.414   6.444   3.774
  274    H    ARG  96           HN       ARG  96  14.254   8.111   8.330
  275    HA   ARG  96           HA       ARG  96  15.760  10.146   9.599
  276   1HB   ARG  96           HB2      ARG  96  13.549   9.612  10.415
  277   2HB   ARG  96           HB1      ARG  96  14.028   7.955  10.778
  278   1HG   ARG  96           HG2      ARG  96  14.901   8.547  12.772
  279   2HG   ARG  96           HG1      ARG  96  15.784   9.899  12.060
  280   1HD   ARG  96           HD2      ARG  96  14.078  10.627  13.740
  281   2HD   ARG  96           HD1      ARG  96  13.798  11.301  12.136
  282    HE   ARG  96           HE       ARG  96  12.288   8.969  12.167
  283   1HH1  ARG  96          HH11      ARG  96  12.148   9.597  15.150
  284   2HH1  ARG  96          HH12      ARG  96  10.693  10.534  15.224
  285   1HH2  ARG  96          HH21      ARG  96  10.588  11.128  11.809
  286   2HH2  ARG  96          HH22      ARG  96   9.810  11.403  13.332
  287    H    ARG  97           HN       ARG  97  15.957   6.603   9.989
  288    HA   ARG  97           HA       ARG  97  18.014   6.565  11.930
  289   1HB   ARG  97           HB2      ARG  97  16.820   4.525  11.354
  290   2HB   ARG  97           HB1      ARG  97  17.426   4.597   9.699
  291   1HG   ARG  97           HG2      ARG  97  19.770   4.487  10.665
  292   2HG   ARG  97           HG1      ARG  97  19.028   4.128  12.223
  293   1HD   ARG  97           HD2      ARG  97  18.275   2.518   9.796
  294   2HD   ARG  97           HD1      ARG  97  19.756   2.144  10.675
  295    HE   ARG  97           HE       ARG  97  17.360   1.142  11.502
  296   1HH1  ARG  97          HH21      ARG  97  20.083   1.888  13.072
  297   2HH1  ARG  97          HH22      ARG  97  19.367   2.365  14.576
  298   1HH2  ARG  97          HH11      ARG  97  16.142   2.491  13.307
  299   2HH2  ARG  97          HH12      ARG  97  17.137   2.707  14.709
  300    H    LEU  98           HN       LEU  98  18.272   6.550   8.370
  301    HA   LEU  98           HA       LEU  98  21.091   6.395   8.232
  302   1HB   LEU  98           HB2      LEU  98  20.629   6.460   6.025
  303   2HB   LEU  98           HB1      LEU  98  18.949   6.790   6.422
  304    HG   LEU  98           HG       LEU  98  19.565   9.251   6.536
  305   1HD1  LEU  98          HD11      LEU  98  22.184   8.035   5.850
  306   2HD1  LEU  98          HD13      LEU  98  21.754   9.487   4.947
  307   3HD1  LEU  98          HD12      LEU  98  21.833   9.535   6.707
  308   1HD2  LEU  98          HD23      LEU  98  19.058   7.564   4.320
  309   2HD2  LEU  98          HD22      LEU  98  18.754   9.297   4.435
  310   3HD2  LEU  98          HD21      LEU  98  20.290   8.711   3.797
  311    H    ILE  99           HN       ILE  99  18.991   9.278   8.460
  312    HA   ILE  99           HA       ILE  99  21.275  11.087   8.628
  313    HB   ILE  99           HB       ILE  99  19.553  12.785   9.185
  314   1HG1  ILE  99          HG12      ILE  99  17.521  10.563   8.939
  315   2HG1  ILE  99          HG11      ILE  99  18.190  11.026  10.505
  316   1HG2  ILE  99          HG22      ILE  99  19.634  11.112   6.823
  317   2HG2  ILE  99          HG21      ILE  99  17.998  11.718   7.086
  318   3HG2  ILE  99          HG23      ILE  99  19.344  12.848   6.940
  319   1HD1  ILE  99          HD11      ILE  99  17.318  13.320   8.887
  320   2HD1  ILE  99          HD13      ILE  99  16.007  12.217   9.303
  321   3HD1  ILE  99          HD12      ILE  99  16.984  12.945  10.578
  322    H    LYS 100           HN       LYS 100  19.322   9.251  10.867
  323    HA   LYS 100           HA       LYS 100  20.428  10.729  13.186
  324   1HB   LYS 100           HB2      LYS 100  17.983   9.929  13.001
  325   2HB   LYS 100           HB1      LYS 100  18.619   8.311  13.300
  326   1HG   LYS 100           HG2      LYS 100  18.564   8.779  15.502
  327   2HG   LYS 100           HG1      LYS 100  19.849   9.955  15.220
  328   1HD   LYS 100           HD2      LYS 100  18.434  11.726  15.376
  329   2HD   LYS 100           HD1      LYS 100  17.154  10.901  14.486
  330   1HE   LYS 100           HE2      LYS 100  16.298   9.877  16.396
  331   2HE   LYS 100           HE1      LYS 100  17.832   9.982  17.262
  332   1HZ   LYS 100           HZ2      LYS 100  16.441  12.450  16.480
  333   2HZ   LYS 100           HZ1      LYS 100  15.905  11.593  17.845
  334   3HZ   LYS 100           HZ3      LYS 100  17.497  12.174  17.783
  335    H    LYS 101           HN       LYS 101  22.357  10.068  13.983
  336    HA   LYS 101           HA       LYS 101  24.123   8.651  14.613
  337   1HB   LYS 101           HB2      LYS 101  21.735   7.300  15.252
  338   2HB   LYS 101           HB1      LYS 101  22.744   6.108  14.431
  339   1HG   LYS 101           HG2      LYS 101  23.786   5.847  16.422
  340   2HG   LYS 101           HG1      LYS 101  24.544   7.405  16.089
  341   1HD   LYS 101           HD2      LYS 101  21.981   6.933  17.637
  342   2HD   LYS 101           HD1      LYS 101  23.518   7.501  18.289
  343   1HE   LYS 101           HE2      LYS 101  23.367   9.524  16.874
  344   2HE   LYS 101           HE1      LYS 101  21.817   8.961  16.246
  345   1HZ   LYS 101           HZ2      LYS 101  21.074   8.888  18.636
  346   2HZ   LYS 101           HZ1      LYS 101  22.478   9.763  19.018
  347   3HZ   LYS 101           HZ3      LYS 101  21.316  10.437  17.983
  348   1H    VAL  62           HT3      VAL  62 -16.008 -29.649  22.021
  349   2H    VAL  62           HT2      VAL  62 -15.288 -28.120  22.193
  350   3H    VAL  62           HT1      VAL  62 -16.478 -28.631  23.293
  351    HA   VAL  62           HA       VAL  62 -18.188 -28.178  21.910
  352    HB   VAL  62           HB       VAL  62 -17.780 -26.112  20.739
  353   1HG1  VAL  62          HG13      VAL  62 -16.749 -26.645  23.357
  354   2HG1  VAL  62          HG12      VAL  62 -15.692 -25.470  22.574
  355   3HG1  VAL  62          HG11      VAL  62 -17.417 -25.137  22.733
  356   1HG2  VAL  62          HG23      VAL  62 -14.992 -27.219  20.562
  357   2HG2  VAL  62          HG22      VAL  62 -15.982 -26.492  19.296
  358   3HG2  VAL  62          HG21      VAL  62 -15.231 -25.472  20.524
  359    H    GLN  63           HN       GLN  63 -18.893 -27.840  19.515
  360    HA   GLN  63           HA       GLN  63 -17.544 -29.949  17.884
  361   1HB   GLN  63           HB2      GLN  63 -19.679 -30.357  16.823
  362   2HB   GLN  63           HB1      GLN  63 -19.936 -30.362  18.567
  363   1HG   GLN  63           HG2      GLN  63 -20.270 -27.805  17.019
  364   2HG   GLN  63           HG1      GLN  63 -21.570 -28.995  17.040
  365   1HE2  GLN  63          HE22      GLN  63 -21.153 -26.584  20.193
  366   2HE2  GLN  63          HE21      GLN  63 -20.424 -26.303  18.686
  367    H    LEU  64           HN       LEU  64 -17.431 -29.552  15.550
  368    HA   LEU  64           HA       LEU  64 -16.528 -26.907  14.910
  369   1HB   LEU  64           HB2      LEU  64 -16.708 -29.472  13.588
  370   2HB   LEU  64           HB1      LEU  64 -17.237 -28.188  12.499
  371    HG   LEU  64           HG       LEU  64 -15.144 -26.916  13.125
  372   1HD1  LEU  64          HD12      LEU  64 -14.719 -28.115  15.253
  373   2HD1  LEU  64          HD11      LEU  64 -14.388 -29.590  14.345
  374   3HD1  LEU  64          HD13      LEU  64 -13.324 -28.193  14.177
  375   1HD2  LEU  64          HD21      LEU  64 -15.531 -29.009  11.302
  376   2HD2  LEU  64          HD23      LEU  64 -14.238 -27.810  11.258
  377   3HD2  LEU  64          HD22      LEU  64 -13.977 -29.361  12.057
  378    H    ALA  65           HN       ALA  65 -18.539 -25.765  15.725
  379    HA   ALA  65           HA       ALA  65 -20.772 -25.881  13.762
  380   1HB   ALA  65           HB1      ALA  65 -20.779 -25.709  16.532
  381   2HB   ALA  65           HB3      ALA  65 -21.090 -24.048  16.028
  382   3HB   ALA  65           HB2      ALA  65 -22.150 -25.349  15.482
  383    H    HIS  66           HN       HIS  66 -18.075 -23.966  14.723
  384    HA   HIS  66           HA       HIS  66 -18.917 -21.365  13.989
  385   1HB   HIS  66           HB2      HIS  66 -16.595 -20.821  13.770
  386   2HB   HIS  66           HB1      HIS  66 -16.696 -22.037  15.043
  387    HD1  HIS  66           HD1      HIS  66 -17.176 -24.409  12.869
  388    HD2  HIS  66           HD2      HIS  66 -13.990 -21.722  12.993
  389    HE1  HIS  66           HE1      HIS  66 -15.267 -25.502  11.612
  390    H    HIS  67           HN       HIS  67 -17.867 -20.275  11.903
  391    HA   HIS  67           HA       HIS  67 -17.946 -22.026   9.539
  392   1HB   HIS  67           HB2      HIS  67 -19.767 -20.801   8.450
  393   2HB   HIS  67           HB1      HIS  67 -20.339 -21.497   9.966
  394    HD1  HIS  67           HD1      HIS  67 -21.013 -18.629   8.277
  395    HD2  HIS  67           HD2      HIS  67 -19.397 -19.191  12.078
  396    HE1  HIS  67           HE1      HIS  67 -21.434 -16.486   9.558
  397    H    PHE  68           HN       PHE  68 -17.492 -20.680   7.520
  398    HA   PHE  68           HA       PHE  68 -16.324 -18.026   7.991
  399   1HB   PHE  68           HB2      PHE  68 -14.149 -18.996   6.798
  400   2HB   PHE  68           HB1      PHE  68 -14.326 -19.049   8.552
  401    HD1  PHE  68           HD2      PHE  68 -15.005 -21.147   9.688
  402    HD2  PHE  68           HD1      PHE  68 -14.254 -21.005   5.461
  403    HE1  PHE  68           HE2      PHE  68 -14.858 -23.622   9.631
  404    HE2  PHE  68           HE1      PHE  68 -14.106 -23.480   5.404
  405    HZ   PHE  68           HZ       PHE  68 -14.409 -24.788   7.489
  406    H    SER  69           HN       SER  69 -18.398 -18.264   6.417
  407    HA   SER  69           HA       SER  69 -17.746 -19.049   3.685
  408   1HB   SER  69           HB2      SER  69 -20.031 -17.219   4.317
  409   2HB   SER  69           HB1      SER  69 -19.960 -18.570   3.188
  410    HG   SER  69           HG       SER  69 -19.836 -19.945   5.059
  411    H    GLU  70           HN       GLU  70 -17.908 -17.406   1.872
  412    HA   GLU  70           HA       GLU  70 -16.922 -15.526   0.853
  413   1HB   GLU  70           HB2      GLU  70 -18.610 -14.577   3.089
  414   2HB   GLU  70           HB1      GLU  70 -17.424 -13.410   2.503
  415   1HG   GLU  70           HG2      GLU  70 -18.264 -13.600   0.239
  416   2HG   GLU  70           HG1      GLU  70 -19.334 -14.923   0.702
  417    HA   PRO  71           HA       PRO  71 -13.074 -15.883   3.265
  418   1HB   PRO  71           HB2      PRO  71 -11.700 -15.192   0.832
  419   2HB   PRO  71           HB1      PRO  71 -11.759 -16.764   1.640
  420   1HG   PRO  71           HG2      PRO  71 -13.078 -15.993  -0.807
  421   2HG   PRO  71           HG1      PRO  71 -13.132 -17.561   0.007
  422   1HD   PRO  71           HD2      PRO  71 -15.225 -15.588  -0.158
  423   2HD   PRO  71           HD1      PRO  71 -15.272 -17.158   0.670
  424    H    GLU  72           HN       GLU  72 -14.209 -13.708   4.030
  425    HA   GLU  72           HA       GLU  72 -13.500 -11.238   2.762
  426   1HB   GLU  72           HB2      GLU  72 -14.767 -12.089   5.241
  427   2HB   GLU  72           HB1      GLU  72 -13.703 -10.706   5.504
  428   1HG   GLU  72           HG2      GLU  72 -15.424 -10.579   3.090
  429   2HG   GLU  72           HG1      GLU  72 -16.256 -10.455   4.640
  430    H    ILE  73           HN       ILE  73 -12.232 -12.331   5.925
  431    HA   ILE  73           HA       ILE  73 -10.007 -10.721   6.081
  432    HB   ILE  73           HB       ILE  73 -10.837 -12.552   7.712
  433   1HG1  ILE  73          HG12      ILE  73  -8.139 -12.929   8.162
  434   2HG1  ILE  73          HG11      ILE  73  -8.175 -11.451   7.198
  435   1HG2  ILE  73          HG22      ILE  73 -10.252 -14.290   5.764
  436   2HG2  ILE  73          HG21      ILE  73  -8.675 -14.255   6.552
  437   3HG2  ILE  73          HG23      ILE  73 -10.107 -14.728   7.466
  438   1HD1  ILE  73          HD13      ILE  73 -10.273 -11.488   9.225
  439   2HD1  ILE  73          HD12      ILE  73  -8.664 -11.620   9.935
  440   3HD1  ILE  73          HD11      ILE  73  -9.058 -10.252   8.894
  441    H    THR  74           HN       THR  74 -10.407 -13.569   4.044
  442    HA   THR  74           HA       THR  74  -7.642 -13.807   3.277
  443    HB   THR  74           HB       THR  74 -10.191 -14.637   1.859
  444    HG1  THR  74           HG1      THR  74  -9.985 -15.894   3.589
  445   1HG2  THR  74          HG21      THR  74  -7.282 -15.025   1.191
  446   2HG2  THR  74          HG23      THR  74  -8.486 -16.209   0.687
  447   3HG2  THR  74          HG22      THR  74  -8.604 -14.540   0.129
  448    H    LEU  75           HN       LEU  75 -10.434 -12.170   1.767
  449    HA   LEU  75           HA       LEU  75  -8.831 -11.053  -0.383
  450   1HB   LEU  75           HB2      LEU  75 -11.472 -11.395  -0.152
  451   2HB   LEU  75           HB1      LEU  75 -11.383  -9.747   0.471
  452    HG   LEU  75           HG       LEU  75 -10.529 -10.765  -2.244
  453   1HD1  LEU  75          HD12      LEU  75 -12.885  -9.684  -1.383
  454   2HD1  LEU  75          HD11      LEU  75 -12.017  -8.232  -1.887
  455   3HD1  LEU  75          HD13      LEU  75 -12.285  -9.546  -3.035
  456   1HD2  LEU  75          HD23      LEU  75  -9.823  -8.145  -0.885
  457   2HD2  LEU  75          HD22      LEU  75  -8.697  -9.376  -1.456
  458   3HD2  LEU  75          HD21      LEU  75  -9.642  -8.440  -2.615
  459    H    ILE  76           HN       ILE  76 -10.165  -9.716   2.657
  460    HA   ILE  76           HA       ILE  76  -9.168  -7.080   2.321
  461    HB   ILE  76           HB       ILE  76  -9.210  -8.518   4.987
  462   1HG1  ILE  76          HG12      ILE  76 -11.573  -7.241   3.574
  463   2HG1  ILE  76          HG11      ILE  76 -11.334  -8.978   3.733
  464   1HG2  ILE  76          HG21      ILE  76  -8.427  -6.022   4.451
  465   2HG2  ILE  76          HG23      ILE  76 -10.164  -5.729   4.529
  466   3HG2  ILE  76          HG22      ILE  76  -9.322  -6.415   5.919
  467   1HD1  ILE  76          HD11      ILE  76 -11.074  -7.546   6.278
  468   2HD1  ILE  76          HD13      ILE  76 -12.675  -7.402   5.553
  469   3HD1  ILE  76          HD12      ILE  76 -12.002  -8.995   5.891
  470    H    ILE  77           HN       ILE  77  -7.650  -9.927   3.859
  471    HA   ILE  77           HA       ILE  77  -5.164  -8.699   4.486
  472    HB   ILE  77           HB       ILE  77  -5.910 -11.552   3.808
  473   1HG1  ILE  77          HG12      ILE  77  -5.139 -10.115   6.368
  474   2HG1  ILE  77          HG11      ILE  77  -6.750 -10.691   5.940
  475   1HG2  ILE  77          HG22      ILE  77  -3.245 -10.292   4.129
  476   2HG2  ILE  77          HG21      ILE  77  -3.506 -11.764   5.065
  477   3HG2  ILE  77          HG23      ILE  77  -3.692 -11.790   3.311
  478   1HD1  ILE  77          HD11      ILE  77  -4.733 -12.792   5.722
  479   2HD1  ILE  77          HD13      ILE  77  -4.832 -12.128   7.352
  480   3HD1  ILE  77          HD12      ILE  77  -6.271 -12.802   6.586
  481    H    PHE  78           HN       PHE  78  -6.212 -10.461   1.575
  482    HA   PHE  78           HA       PHE  78  -3.799 -10.272   0.112
  483   1HB   PHE  78           HB2      PHE  78  -6.692 -10.476  -0.696
  484   2HB   PHE  78           HB1      PHE  78  -5.441 -10.269  -1.920
  485    HD1  PHE  78           HD1      PHE  78  -5.070 -12.085   1.305
  486    HD2  PHE  78           HD2      PHE  78  -5.486 -12.418  -2.957
  487    HE1  PHE  78           HE1      PHE  78  -4.526 -14.499   1.441
  488    HE2  PHE  78           HE2      PHE  78  -4.942 -14.833  -2.821
  489    HZ   PHE  78           HZ       PHE  78  -4.462 -15.874  -0.622
  490    H    GLY  79           HN       GLY  79  -6.579  -8.003   0.141
  491   1HA   GLY  79           HA2      GLY  79  -5.526  -6.174  -1.749
  492   2HA   GLY  79           HA1      GLY  79  -6.639  -5.726  -0.457
  493    H    VAL  80           HN       VAL  80  -5.130  -6.201   1.817
  494    HA   VAL  80           HA       VAL  80  -3.483  -3.891   1.971
  495    HB   VAL  80           HB       VAL  80  -3.433  -6.400   3.673
  496   1HG1  VAL  80          HG13      VAL  80  -1.434  -4.681   3.698
  497   2HG1  VAL  80          HG12      VAL  80  -2.574  -3.670   4.588
  498   3HG1  VAL  80          HG11      VAL  80  -2.116  -5.251   5.221
  499   1HG2  VAL  80          HG22      VAL  80  -5.441  -4.481   3.315
  500   2HG2  VAL  80          HG21      VAL  80  -5.297  -5.595   4.674
  501   3HG2  VAL  80          HG23      VAL  80  -4.615  -3.974   4.789
  502    H    MET  81           HN       MET  81  -2.594  -7.317   1.564
  503    HA   MET  81           HA       MET  81   0.218  -6.970   1.411
  504   1HB   MET  81           HB2      MET  81  -1.625  -8.998   0.125
  505   2HB   MET  81           HB1      MET  81   0.133  -9.096   0.012
  506   1HG   MET  81           HG2      MET  81   0.012  -8.812   2.633
  507   2HG   MET  81           HG1      MET  81  -1.631  -9.413   2.418
  508   1HE   MET  81           HE2      MET  81  -2.305 -11.096   1.180
  509   2HE   MET  81           HE1      MET  81  -1.363 -12.286   0.286
  510   3HE   MET  81           HE3      MET  81  -1.841 -12.607   1.959
  511    H    ALA  82           HN       ALA  82  -2.230  -6.951  -1.182
  512    HA   ALA  82           HA       ALA  82  -0.458  -6.552  -3.344
  513   1HB   ALA  82           HB3      ALA  82  -3.333  -6.328  -2.905
  514   2HB   ALA  82           HB2      ALA  82  -2.746  -5.108  -4.039
  515   3HB   ALA  82           HB1      ALA  82  -2.453  -6.817  -4.350
  516    H    GLY  83           HN       GLY  83  -2.071  -4.064  -1.286
  517   1HA   GLY  83           HA2      GLY  83  -1.059  -1.815  -2.678
  518   2HA   GLY  83           HA1      GLY  83  -1.448  -1.826  -0.956
  519    H    VAL  84           HN       VAL  84   0.382  -3.636   0.056
  520    HA   VAL  84           HA       VAL  84   2.753  -2.087   0.276
  521    HB   VAL  84           HB       VAL  84   2.465  -5.081   0.672
  522   1HG1  VAL  84          HG12      VAL  84   4.467  -3.037   1.671
  523   2HG1  VAL  84          HG11      VAL  84   4.320  -4.665   2.334
  524   3HG1  VAL  84          HG13      VAL  84   4.792  -4.437   0.649
  525   1HG2  VAL  84          HG23      VAL  84   1.719  -2.690   2.325
  526   2HG2  VAL  84          HG22      VAL  84   0.859  -4.217   2.118
  527   3HG2  VAL  84          HG21      VAL  84   2.293  -4.143   3.142
  528    H    ILE  85           HN       ILE  85   2.117  -4.986  -1.723
  529    HA   ILE  85           HA       ILE  85   4.669  -5.180  -2.928
  530    HB   ILE  85           HB       ILE  85   1.917  -5.880  -3.973
  531   1HG1  ILE  85          HG12      ILE  85   4.212  -7.498  -2.820
  532   2HG1  ILE  85          HG11      ILE  85   2.667  -7.171  -2.033
  533   1HG2  ILE  85          HG21      ILE  85   4.642  -6.540  -5.135
  534   2HG2  ILE  85          HG23      ILE  85   3.110  -7.216  -5.688
  535   3HG2  ILE  85          HG22      ILE  85   3.431  -5.492  -5.874
  536   1HD1  ILE  85          HD11      ILE  85   2.189  -8.263  -4.654
  537   2HD1  ILE  85          HD13      ILE  85   3.291  -9.321  -3.771
  538   3HD1  ILE  85          HD12      ILE  85   1.717  -8.916  -3.085
  539    H    GLY  86           HN       GLY  86   1.794  -3.357  -4.047
  540   1HA   GLY  86           HA2      GLY  86   2.911  -2.360  -6.440
  541   2HA   GLY  86           HA1      GLY  86   1.658  -1.534  -5.513
  542    H    THR  87           HN       THR  87   2.988  -0.912  -3.161
  543    HA   THR  87           HA       THR  87   4.434   1.425  -3.862
  544    HB   THR  87           HB       THR  87   4.429  -0.217  -1.316
  545    HG1  THR  87           HG1      THR  87   2.493   0.836  -1.904
  546   1HG2  THR  87          HG21      THR  87   5.954   2.226  -2.091
  547   2HG2  THR  87          HG23      THR  87   5.247   2.186  -0.474
  548   3HG2  THR  87          HG22      THR  87   6.390   0.937  -0.969
  549    H    ILE  88           HN       ILE  88   5.643  -1.774  -2.832
  550    HA   ILE  88           HA       ILE  88   8.410  -1.175  -2.944
  551    HB   ILE  88           HB       ILE  88   7.027  -3.792  -3.618
  552   1HG1  ILE  88          HG12      ILE  88   8.097  -2.670  -1.007
  553   2HG1  ILE  88          HG11      ILE  88   6.401  -2.951  -1.399
  554   1HG2  ILE  88          HG21      ILE  88   9.873  -2.975  -3.190
  555   2HG2  ILE  88          HG23      ILE  88   9.358  -4.542  -2.568
  556   3HG2  ILE  88          HG22      ILE  88   9.208  -4.184  -4.288
  557   1HD1  ILE  88          HD11      ILE  88   7.249  -5.411  -1.880
  558   2HD1  ILE  88          HD13      ILE  88   8.563  -4.940  -0.803
  559   3HD1  ILE  88          HD12      ILE  88   6.895  -4.897  -0.230
  560    H    LEU  89           HN       LEU  89   6.266  -2.438  -5.513
  561    HA   LEU  89           HA       LEU  89   8.233  -2.650  -7.535
  562   1HB   LEU  89           HB2      LEU  89   6.408  -3.508  -8.538
  563   2HB   LEU  89           HB1      LEU  89   5.351  -2.759  -7.348
  564    HG   LEU  89           HG       LEU  89   5.542  -0.611  -8.683
  565   1HD1  LEU  89          HD12      LEU  89   7.195  -2.460 -10.332
  566   2HD1  LEU  89          HD11      LEU  89   6.132  -1.355 -11.202
  567   3HD1  LEU  89          HD13      LEU  89   7.351  -0.719 -10.098
  568   1HD2  LEU  89          HD22      LEU  89   3.889  -2.818  -9.008
  569   2HD2  LEU  89          HD21      LEU  89   3.614  -1.222  -9.705
  570   3HD2  LEU  89          HD23      LEU  89   4.422  -2.470 -10.653
  571    H    LEU  90           HN       LEU  90   6.150   0.131  -6.696
  572    HA   LEU  90           HA       LEU  90   7.069   1.896  -8.721
  573   1HB   LEU  90           HB2      LEU  90   5.178   2.538  -7.369
  574   2HB   LEU  90           HB1      LEU  90   6.135   2.449  -5.890
  575    HG   LEU  90           HG       LEU  90   7.566   4.296  -6.713
  576   1HD1  LEU  90          HD11      LEU  90   5.890   3.862  -9.131
  577   2HD1  LEU  90          HD13      LEU  90   6.260   5.539  -8.726
  578   3HD1  LEU  90          HD12      LEU  90   7.568   4.388  -9.004
  579   1HD2  LEU  90          HD22      LEU  90   5.394   4.651  -5.392
  580   2HD2  LEU  90          HD21      LEU  90   6.000   6.046  -6.283
  581   3HD2  LEU  90          HD23      LEU  90   4.656   5.104  -6.928
  582    H    ILE  91           HN       ILE  91   8.354   1.391  -5.417
  583    HA   ILE  91           HA       ILE  91  10.457   3.291  -5.571
  584    HB   ILE  91           HB       ILE  91  10.382   0.626  -4.120
  585   1HG1  ILE  91          HG12      ILE  91   9.714   3.461  -3.261
  586   2HG1  ILE  91          HG11      ILE  91   8.569   2.133  -3.458
  587   1HG2  ILE  91          HG22      ILE  91  12.459   2.648  -4.412
  588   2HG2  ILE  91          HG21      ILE  91  11.983   2.447  -2.727
  589   3HG2  ILE  91          HG23      ILE  91  12.548   1.058  -3.654
  590   1HD1  ILE  91          HD12      ILE  91  10.662   1.218  -1.751
  591   2HD1  ILE  91          HD11      ILE  91  10.136   2.792  -1.154
  592   3HD1  ILE  91          HD13      ILE  91   8.968   1.484  -1.342
  593    H    SER  92           HN       SER  92  10.481  -0.181  -6.471
  594    HA   SER  92           HA       SER  92  13.200  -0.275  -7.273
  595   1HB   SER  92           HB2      SER  92  11.299  -1.775  -8.975
  596   2HB   SER  92           HB1      SER  92  12.693  -2.354  -8.067
  597    HG   SER  92           HG       SER  92  11.346  -2.944  -6.582
  598    H    TYR  93           HN       TYR  93  10.287   0.522  -9.201
  599    HA   TYR  93           HA       TYR  93  11.632   1.034 -11.648
  600   1HB   TYR  93           HB2      TYR  93   9.069   0.996 -11.080
  601   2HB   TYR  93           HB1      TYR  93   9.299   2.721 -10.790
  602    HD1  TYR  93           HD1      TYR  93  10.407   0.163 -13.314
  603    HD2  TYR  93           HD2      TYR  93   8.886   4.117 -12.603
  604    HE1  TYR  93           HE1      TYR  93  10.362   0.587 -15.758
  605    HE2  TYR  93           HE2      TYR  93   8.840   4.539 -15.046
  606    HH   TYR  93           HH       TYR  93   8.665   2.986 -17.177
  607    H    GLY  94           HN       GLY  94  10.843   3.277  -8.973
  608   1HA   GLY  94           HA2      GLY  94  11.943   5.618 -10.116
  609   2HA   GLY  94           HA1      GLY  94  11.826   5.319  -8.382
  610    H    ILE  95           HN       ILE  95  13.507   3.159  -8.045
  611    HA   ILE  95           HA       ILE  95  16.074   4.371  -7.953
  612    HB   ILE  95           HB       ILE  95  15.115   1.523  -7.743
  613   1HG1  ILE  95          HG12      ILE  95  16.843   2.558  -5.657
  614   2HG1  ILE  95          HG11      ILE  95  15.520   3.680  -5.973
  615   1HG2  ILE  95          HG22      ILE  95  18.013   2.425  -7.732
  616   2HG2  ILE  95          HG21      ILE  95  17.447   0.828  -7.240
  617   3HG2  ILE  95          HG23      ILE  95  17.266   1.352  -8.915
  618   1HD1  ILE  95          HD13      ILE  95  14.078   1.449  -5.967
  619   2HD1  ILE  95          HD12      ILE  95  15.418   0.856  -4.987
  620   3HD1  ILE  95          HD11      ILE  95  14.493   2.260  -4.457
  621    H    ARG  96           HN       ARG  96  14.760   2.036 -10.327
  622    HA   ARG  96           HA       ARG  96  17.077   1.821 -11.947
  623   1HB   ARG  96           HB2      ARG  96  15.126   0.375 -12.282
  624   2HB   ARG  96           HB1      ARG  96  14.162   1.766 -12.784
  625   1HG   ARG  96           HG2      ARG  96  15.092   1.822 -14.859
  626   2HG   ARG  96           HG1      ARG  96  16.702   1.434 -14.253
  627   1HD   ARG  96           HD2      ARG  96  15.759  -0.380 -15.681
  628   2HD   ARG  96           HD1      ARG  96  16.093  -0.921 -14.036
  629    HE   ARG  96           HE       ARG  96  13.445  -0.124 -13.938
  630   1HH1  ARG  96          HH11      ARG  96  15.412  -2.495 -15.456
  631   2HH1  ARG  96          HH12      ARG  96  14.077  -3.461 -15.991
  632   1HH2  ARG  96          HH21      ARG  96  11.667  -1.260 -14.821
  633   2HH2  ARG  96          HH22      ARG  96  11.960  -2.762 -15.631
  634    H    ARG  97           HN       ARG  97  14.364   4.129 -12.179
  635    HA   ARG  97           HA       ARG  97  15.295   5.555 -14.439
  636   1HB   ARG  97           HB2      ARG  97  13.079   6.003 -13.676
  637   2HB   ARG  97           HB1      ARG  97  13.642   6.413 -12.056
  638   1HG   ARG  97           HG2      ARG  97  14.017   8.557 -12.649
  639   2HG   ARG  97           HG1      ARG  97  14.947   8.061 -14.062
  640   1HD   ARG  97           HD2      ARG  97  13.155   9.124 -15.088
  641   2HD   ARG  97           HD1      ARG  97  12.556   7.466 -15.030
  642    HE   ARG  97           HE       ARG  97  11.688   8.572 -12.640
  643   1HH1  ARG  97          HH21      ARG  97  11.870  10.852 -14.917
  644   2HH1  ARG  97          HH22      ARG  97  10.176  11.005 -15.241
  645   1HH2  ARG  97          HH11      ARG  97   9.314   8.126 -13.510
  646   2HH2  ARG  97          HH12      ARG  97   8.729   9.461 -14.446
  647    H    LEU  98           HN       LEU  98  15.942   6.164 -10.976
  648    HA   LEU  98           HA       LEU  98  17.536   8.479 -11.306
  649   1HB   LEU  98           HB2      LEU  98  16.869   6.712  -9.192
  650   2HB   LEU  98           HB1      LEU  98  18.630   6.818  -9.223
  651    HG   LEU  98           HG       LEU  98  16.727   9.179  -9.180
  652   1HD1  LEU  98          HD12      LEU  98  17.366   7.553  -7.082
  653   2HD1  LEU  98          HD11      LEU  98  18.674   8.733  -6.999
  654   3HD1  LEU  98          HD13      LEU  98  16.996   9.270  -6.918
  655   1HD2  LEU  98          HD22      LEU  98  19.752   8.958  -9.189
  656   2HD2  LEU  98          HD21      LEU  98  18.737   9.760 -10.386
  657   3HD2  LEU  98          HD23      LEU  98  18.889  10.436  -8.765
  658    H    ILE  99           HN       ILE  99  18.525   5.049 -11.260
  659    HA   ILE  99           HA       ILE  99  21.312   5.638 -11.779
  660    HB   ILE  99           HB       ILE  99  21.503   3.225 -12.197
  661   1HG1  ILE  99          HG12      ILE  99  18.522   2.999 -11.839
  662   2HG1  ILE  99          HG11      ILE  99  19.203   3.276 -13.441
  663   1HG2  ILE  99          HG22      ILE  99  21.053   4.282  -9.838
  664   2HG2  ILE  99          HG21      ILE  99  19.489   3.479  -9.976
  665   3HG2  ILE  99          HG23      ILE  99  20.975   2.531 -10.023
  666   1HD1  ILE  99          HD12      ILE  99  20.285   1.076 -11.692
  667   2HD1  ILE  99          HD11      ILE  99  18.830   0.816 -12.656
  668   3HD1  ILE  99          HD13      ILE  99  20.351   1.227 -13.447
  669    H    LYS 100           HN       LYS 100  18.476   5.374 -13.755
  670    HA   LYS 100           HA       LYS 100  20.165   5.852 -16.154
  671   1HB   LYS 100           HB2      LYS 100  18.492   3.486 -15.613
  672   2HB   LYS 100           HB1      LYS 100  18.176   4.252 -17.173
  673   1HG   LYS 100           HG2      LYS 100  20.887   4.305 -17.170
  674   2HG   LYS 100           HG1      LYS 100  20.608   2.847 -16.216
  675   1HD   LYS 100           HD2      LYS 100  18.808   2.467 -18.217
  676   2HD   LYS 100           HD1      LYS 100  20.061   3.359 -19.081
  677   1HE   LYS 100           HE2      LYS 100  21.454   1.586 -19.064
  678   2HE   LYS 100           HE1      LYS 100  21.209   1.331 -17.336
  679   1HZ   LYS 100           HZ1      LYS 100  19.335   0.464 -19.471
  680   2HZ   LYS 100           HZ3      LYS 100  20.439  -0.549 -18.674
  681   3HZ   LYS 100           HZ2      LYS 100  19.168   0.168 -17.806
  682    H    LYS 101           HN       LYS 101  19.441   7.918 -16.560
  683    HA   LYS 101           HA       LYS 101  17.927   9.679 -16.965
  684   1HB   LYS 101           HB2      LYS 101  17.052   7.298 -18.464
  685   2HB   LYS 101           HB1      LYS 101  15.782   8.497 -18.217
  686   1HG   LYS 101           HG2      LYS 101  18.389   9.639 -18.991
  687   2HG   LYS 101           HG1      LYS 101  17.651   8.613 -20.221
  688   1HD   LYS 101           HD2      LYS 101  15.975  10.669 -18.812
  689   2HD   LYS 101           HD1      LYS 101  17.035  11.166 -20.132
  690   1HE   LYS 101           HE2      LYS 101  15.462   8.748 -20.718
  691   2HE   LYS 101           HE1      LYS 101  14.482  10.192 -20.457
  692   1HZ   LYS 101           HZ2      LYS 101  16.541  11.073 -21.996
  693   2HZ   LYS 101           HZ1      LYS 101  16.216   9.536 -22.640
  694   3HZ   LYS 101           HZ3      LYS 101  14.981  10.695 -22.551
   
  No H/Q in entry =         694
  Start of MODEL   19
    1   1H    VAL  62           HT1      VAL  62 -13.644   3.462   7.907
    2   2H    VAL  62           HT3      VAL  62 -13.844   3.239   9.576
    3   3H    VAL  62           HT2      VAL  62 -13.380   1.931   8.596
    4    HA   VAL  62           HA       VAL  62 -15.472   1.763   7.596
    5    HB   VAL  62           HB       VAL  62 -15.462   0.853   9.855
    6   1HG1  VAL  62          HG11      VAL  62 -15.520   3.720  10.539
    7   2HG1  VAL  62          HG13      VAL  62 -16.594   2.720  11.517
    8   3HG1  VAL  62          HG12      VAL  62 -14.869   2.360  11.452
    9   1HG2  VAL  62          HG21      VAL  62 -17.740   1.788   8.494
   10   2HG2  VAL  62          HG23      VAL  62 -17.695   0.541   9.740
   11   3HG2  VAL  62          HG22      VAL  62 -18.000   2.221  10.184
   12    H    GLN  63           HN       GLN  63 -15.215   3.983   6.394
   13    HA   GLN  63           HA       GLN  63 -16.751   6.205   7.504
   14   1HB   GLN  63           HB2      GLN  63 -16.384   7.236   5.276
   15   2HB   GLN  63           HB1      GLN  63 -14.879   6.633   5.969
   16   1HG   GLN  63           HG2      GLN  63 -14.576   5.411   4.105
   17   2HG   GLN  63           HG1      GLN  63 -15.993   4.462   4.555
   18   1HE2  GLN  63          HE22      GLN  63 -17.220   5.609   1.395
   19   2HE2  GLN  63          HE21      GLN  63 -16.486   4.299   2.187
   20    H    LEU  64           HN       LEU  64 -18.722   7.044   6.428
   21    HA   LEU  64           HA       LEU  64 -20.327   4.829   5.213
   22   1HB   LEU  64           HB2      LEU  64 -20.955   6.801   7.354
   23   2HB   LEU  64           HB1      LEU  64 -22.246   6.434   6.210
   24    HG   LEU  64           HG       LEU  64 -20.880   4.011   7.031
   25   1HD1  LEU  64          HD11      LEU  64 -20.859   5.836   9.068
   26   2HD1  LEU  64          HD13      LEU  64 -22.424   5.063   9.321
   27   3HD1  LEU  64          HD12      LEU  64 -20.951   4.092   9.306
   28   1HD2  LEU  64          HD21      LEU  64 -23.597   5.108   6.686
   29   2HD2  LEU  64          HD23      LEU  64 -22.974   3.504   6.296
   30   3HD2  LEU  64          HD22      LEU  64 -23.467   3.882   7.948
   31    H    ALA  65           HN       ALA  65 -21.693   5.409   3.456
   32    HA   ALA  65           HA       ALA  65 -22.446   7.883   2.507
   33   1HB   ALA  65           HB1      ALA  65 -19.547   7.338   1.960
   34   2HB   ALA  65           HB3      ALA  65 -20.499   8.177   0.735
   35   3HB   ALA  65           HB2      ALA  65 -20.342   8.863   2.352
   36    H    HIS  66           HN       HIS  66 -21.250   4.694   1.801
   37    HA   HIS  66           HA       HIS  66 -22.842   4.708  -0.734
   38   1HB   HIS  66           HB2      HIS  66 -20.264   3.370   0.019
   39   2HB   HIS  66           HB1      HIS  66 -21.323   2.583  -1.150
   40    HD1  HIS  66           HD1      HIS  66 -19.322   5.743  -0.632
   41    HD2  HIS  66           HD2      HIS  66 -21.435   3.833  -3.676
   42    HE1  HIS  66           HE1      HIS  66 -18.793   6.996  -2.769
   43    H    HIS  67           HN       HIS  67 -24.457   3.186  -0.902
   44    HA   HIS  67           HA       HIS  67 -24.638   1.146   1.278
   45   1HB   HIS  67           HB2      HIS  67 -27.080   2.366   0.007
   46   2HB   HIS  67           HB1      HIS  67 -26.930   1.567   1.573
   47    HD1  HIS  67           HD1      HIS  67 -27.007   3.183   3.455
   48    HD2  HIS  67           HD2      HIS  67 -25.250   4.876   0.075
   49    HE1  HIS  67           HE1      HIS  67 -26.400   5.561   4.078
   50    H    PHE  68           HN       PHE  68 -23.505   0.816  -1.375
   51    HA   PHE  68           HA       PHE  68 -25.588  -0.779  -2.782
   52   1HB   PHE  68           HB2      PHE  68 -22.911   0.346  -3.598
   53   2HB   PHE  68           HB1      PHE  68 -23.694  -0.917  -4.547
   54    HD1  PHE  68           HD1      PHE  68 -26.220  -0.498  -5.151
   55    HD2  PHE  68           HD2      PHE  68 -23.460   2.586  -4.000
   56    HE1  PHE  68           HE1      PHE  68 -27.673   1.202  -6.222
   57    HE2  PHE  68           HE2      PHE  68 -24.913   4.286  -5.071
   58    HZ   PHE  68           HZ       PHE  68 -27.020   3.594  -6.182
   59    H    SER  69           HN       SER  69 -25.624  -2.710  -1.560
   60    HA   SER  69           HA       SER  69 -24.900  -4.885  -1.046
   61   1HB   SER  69           HB2      SER  69 -22.337  -4.230  -2.509
   62   2HB   SER  69           HB1      SER  69 -23.053  -5.816  -2.237
   63    HG   SER  69           HG       SER  69 -24.803  -5.139  -3.563
   64    H    GLU  70           HN       GLU  70 -22.386  -5.815  -0.286
   65    HA   GLU  70           HA       GLU  70 -21.981  -4.269   2.198
   66   1HB   GLU  70           HB2      GLU  70 -20.752  -6.188   2.985
   67   2HB   GLU  70           HB1      GLU  70 -22.196  -6.793   2.173
   68   1HG   GLU  70           HG2      GLU  70 -20.444  -6.657   0.081
   69   2HG   GLU  70           HG1      GLU  70 -19.355  -7.062   1.409
   70    HA   PRO  71           HA       PRO  71 -18.352  -2.202   0.911
   71   1HB   PRO  71           HB2      PRO  71 -16.969  -2.546   3.395
   72   2HB   PRO  71           HB1      PRO  71 -17.895  -1.136   2.860
   73   1HG   PRO  71           HG2      PRO  71 -18.622  -3.066   4.886
   74   2HG   PRO  71           HG1      PRO  71 -19.524  -1.633   4.374
   75   1HD   PRO  71           HD2      PRO  71 -20.135  -4.397   3.818
   76   2HD   PRO  71           HD1      PRO  71 -21.037  -2.955   3.304
   77    H    GLU  72           HN       GLU  72 -18.215  -4.690  -0.148
   78    HA   GLU  72           HA       GLU  72 -16.014  -6.276   0.888
   79   1HB   GLU  72           HB2      GLU  72 -17.954  -7.051  -0.648
   80   2HB   GLU  72           HB1      GLU  72 -17.008  -6.354  -1.964
   81   1HG   GLU  72           HG2      GLU  72 -15.042  -7.749  -0.962
   82   2HG   GLU  72           HG1      GLU  72 -16.320  -8.668  -0.167
   83    H    ILE  73           HN       ILE  73 -16.205  -4.714  -2.328
   84    HA   ILE  73           HA       ILE  73 -13.411  -4.573  -2.693
   85    HB   ILE  73           HB       ILE  73 -15.346  -4.137  -4.378
   86   1HG1  ILE  73          HG12      ILE  73 -13.740  -2.330  -5.498
   87   2HG1  ILE  73          HG11      ILE  73 -12.675  -2.830  -4.186
   88   1HG2  ILE  73          HG21      ILE  73 -16.064  -2.125  -2.811
   89   2HG2  ILE  73          HG23      ILE  73 -14.850  -1.247  -3.742
   90   3HG2  ILE  73          HG22      ILE  73 -16.223  -1.992  -4.562
   91   1HD1  ILE  73          HD11      ILE  73 -13.688  -5.233  -5.147
   92   2HD1  ILE  73          HD13      ILE  73 -13.426  -4.280  -6.608
   93   3HD1  ILE  73          HD12      ILE  73 -12.089  -4.575  -5.497
   94    H    THR  74           HN       THR  74 -15.584  -2.582  -0.831
   95    HA   THR  74           HA       THR  74 -13.874  -0.285  -0.558
   96    HB   THR  74           HB       THR  74 -16.033  -1.391   1.266
   97    HG1  THR  74           HG1      THR  74 -17.329  -0.051   0.184
   98   1HG2  THR  74          HG22      THR  74 -14.327   1.079   1.397
   99   2HG2  THR  74          HG21      THR  74 -15.978   1.117   2.017
  100   3HG2  THR  74          HG23      THR  74 -14.806  -0.011   2.699
  101    H    LEU  75           HN       LEU  75 -14.344  -3.204   1.457
  102    HA   LEU  75           HA       LEU  75 -12.329  -2.482   3.379
  103   1HB   LEU  75           HB2      LEU  75 -13.882  -4.926   2.731
  104   2HB   LEU  75           HB1      LEU  75 -12.299  -5.222   3.441
  105    HG   LEU  75           HG       LEU  75 -14.599  -3.653   4.616
  106   1HD1  LEU  75          HD13      LEU  75 -13.112  -6.179   5.195
  107   2HD1  LEU  75          HD12      LEU  75 -13.713  -5.249   6.568
  108   3HD1  LEU  75          HD11      LEU  75 -14.836  -5.833   5.340
  109   1HD2  LEU  75          HD22      LEU  75 -11.664  -3.437   5.122
  110   2HD2  LEU  75          HD21      LEU  75 -12.925  -2.218   5.300
  111   3HD2  LEU  75          HD23      LEU  75 -12.722  -3.464   6.532
  112    H    ILE  76           HN       ILE  76 -12.223  -4.570   0.471
  113    HA   ILE  76           HA       ILE  76  -9.488  -5.292   0.704
  114    HB   ILE  76           HB       ILE  76 -11.264  -4.854  -1.710
  115   1HG1  ILE  76          HG12      ILE  76 -10.083  -7.344  -0.440
  116   2HG1  ILE  76          HG11      ILE  76 -11.745  -6.790  -0.237
  117   1HG2  ILE  76          HG21      ILE  76  -8.900  -4.407  -2.329
  118   2HG2  ILE  76          HG23      ILE  76  -8.445  -5.976  -1.663
  119   3HG2  ILE  76          HG22      ILE  76  -9.504  -5.889  -3.071
  120   1HD1  ILE  76          HD13      ILE  76 -11.205  -6.816  -3.029
  121   2HD1  ILE  76          HD12      ILE  76 -10.642  -8.353  -2.374
  122   3HD1  ILE  76          HD11      ILE  76 -12.316  -7.853  -2.135
  123    H    ILE  77           HN       ILE  77 -10.990  -2.486  -0.931
  124    HA   ILE  77           HA       ILE  77  -8.573  -1.257  -1.788
  125    HB   ILE  77           HB       ILE  77 -11.342  -0.275  -1.166
  126   1HG1  ILE  77          HG12      ILE  77 -10.601  -1.349  -3.356
  127   2HG1  ILE  77          HG11      ILE  77 -11.358   0.238  -3.507
  128   1HG2  ILE  77          HG21      ILE  77  -8.925   1.487  -1.672
  129   2HG2  ILE  77          HG23      ILE  77 -10.591   2.030  -1.875
  130   3HG2  ILE  77          HG22      ILE  77 -10.010   1.543  -0.283
  131   1HD1  ILE  77          HD13      ILE  77  -8.366  -0.253  -3.417
  132   2HD1  ILE  77          HD12      ILE  77  -9.294   0.061  -4.884
  133   3HD1  ILE  77          HD11      ILE  77  -9.157   1.307  -3.644
  134    H    PHE  78           HN       PHE  78 -10.412  -0.856   1.253
  135    HA   PHE  78           HA       PHE  78  -8.704   1.055   2.463
  136   1HB   PHE  78           HB2      PHE  78 -10.754  -0.845   3.393
  137   2HB   PHE  78           HB1      PHE  78  -9.519  -0.486   4.597
  138    HD1  PHE  78           HD1      PHE  78 -12.070   1.020   2.358
  139    HD2  PHE  78           HD2      PHE  78  -9.353   1.674   5.621
  140    HE1  PHE  78           HE1      PHE  78 -13.129   3.217   2.800
  141    HE2  PHE  78           HE2      PHE  78 -10.412   3.872   6.062
  142    HZ   PHE  78           HZ       PHE  78 -12.300   4.644   4.651
  143    H    GLY  79           HN       GLY  79  -8.567  -2.520   2.667
  144   1HA   GLY  79           HA2      GLY  79  -6.297  -2.672   4.354
  145   2HA   GLY  79           HA1      GLY  79  -6.751  -3.913   3.184
  146    H    VAL  80           HN       VAL  80  -6.487  -2.581   0.793
  147    HA   VAL  80           HA       VAL  80  -3.705  -2.733   0.279
  148    HB   VAL  80           HB       VAL  80  -5.771  -1.144  -1.277
  149   1HG1  VAL  80          HG11      VAL  80  -3.049  -1.229  -1.628
  150   2HG1  VAL  80          HG13      VAL  80  -3.582  -2.559  -2.656
  151   3HG1  VAL  80          HG12      VAL  80  -4.213  -0.934  -2.920
  152   1HG2  VAL  80          HG22      VAL  80  -6.059  -3.743  -0.672
  153   2HG2  VAL  80          HG21      VAL  80  -6.490  -3.109  -2.260
  154   3HG2  VAL  80          HG23      VAL  80  -4.940  -3.917  -2.022
  155    H    MET  81           HN       MET  81  -5.772   0.140   0.797
  156    HA   MET  81           HA       MET  81  -3.733   2.098   0.535
  157   1HB   MET  81           HB2      MET  81  -6.206   2.066   2.296
  158   2HB   MET  81           HB1      MET  81  -5.200   3.492   2.033
  159   1HG   MET  81           HG2      MET  81  -5.788   3.649  -0.233
  160   2HG   MET  81           HG1      MET  81  -6.301   1.963  -0.314
  161   1HE   MET  81           HE1      MET  81  -6.919   5.295  -0.232
  162   2HE   MET  81           HE3      MET  81  -8.657   5.544  -0.018
  163   3HE   MET  81           HE2      MET  81  -7.577   5.607   1.372
  164    H    ALA  82           HN       ALA  82  -4.874   0.338   3.418
  165    HA   ALA  82           HA       ALA  82  -3.107   1.521   5.286
  166   1HB   ALA  82           HB3      ALA  82  -4.842  -0.831   5.207
  167   2HB   ALA  82           HB2      ALA  82  -3.373  -1.122   6.144
  168   3HB   ALA  82           HB1      ALA  82  -4.434   0.220   6.562
  169    H    GLY  83           HN       GLY  83  -2.624  -1.390   3.229
  170   1HA   GLY  83           HA2      GLY  83  -0.053  -2.068   4.204
  171   2HA   GLY  83           HA1      GLY  83  -0.620  -2.410   2.569
  172    H    VAL  84           HN       VAL  84  -0.963   0.130   1.520
  173    HA   VAL  84           HA       VAL  84   1.673   0.866   0.774
  174    HB   VAL  84           HB       VAL  84  -0.881   2.501   0.750
  175   1HG1  VAL  84          HG12      VAL  84   1.878   3.217   0.153
  176   2HG1  VAL  84          HG11      VAL  84   0.843   3.397  -1.264
  177   3HG1  VAL  84          HG13      VAL  84   0.449   4.249   0.229
  178   1HG2  VAL  84          HG21      VAL  84  -0.479   0.259  -0.616
  179   2HG2  VAL  84          HG23      VAL  84  -1.255   1.649  -1.378
  180   3HG2  VAL  84          HG22      VAL  84   0.457   1.328  -1.661
  181    H    ILE  85           HN       ILE  85  -0.507   2.373   3.182
  182    HA   ILE  85           HA       ILE  85   1.257   4.421   4.027
  183    HB   ILE  85           HB       ILE  85  -0.955   2.907   5.412
  184   1HG1  ILE  85          HG12      ILE  85  -1.220   5.769   5.264
  185   2HG1  ILE  85          HG11      ILE  85  -0.776   5.145   3.675
  186   1HG2  ILE  85          HG23      ILE  85   1.066   4.760   6.584
  187   2HG2  ILE  85          HG22      ILE  85  -0.615   5.002   7.060
  188   3HG2  ILE  85          HG21      ILE  85   0.168   3.448   7.348
  189   1HD1  ILE  85          HD13      ILE  85  -2.837   3.591   5.133
  190   2HD1  ILE  85          HD12      ILE  85  -3.330   5.196   4.588
  191   3HD1  ILE  85          HD11      ILE  85  -2.742   4.009   3.423
  192    H    GLY  86           HN       GLY  86   0.884   1.085   5.275
  193   1HA   GLY  86           HA2      GLY  86   2.826   1.239   7.324
  194   2HA   GLY  86           HA1      GLY  86   2.395  -0.245   6.474
  195    H    THR  87           HN       THR  87   3.243   0.291   3.893
  196    HA   THR  87           HA       THR  87   6.025  -0.244   4.023
  197    HB   THR  87           HB       THR  87   4.391   0.926   1.748
  198    HG1  THR  87           HG1      THR  87   3.904  -1.220   2.659
  199   1HG2  THR  87          HG23      THR  87   7.247   0.120   1.995
  200   2HG2  THR  87          HG22      THR  87   6.403  -0.362   0.523
  201   3HG2  THR  87          HG21      THR  87   6.508   1.343   0.961
  202    H    ILE  88           HN       ILE  88   4.324   2.820   3.310
  203    HA   ILE  88           HA       ILE  88   6.627   4.440   2.959
  204    HB   ILE  88           HB       ILE  88   3.893   5.108   4.082
  205   1HG1  ILE  88          HG12      ILE  88   5.094   5.779   1.386
  206   2HG1  ILE  88          HG11      ILE  88   4.172   4.302   1.670
  207   1HG2  ILE  88          HG21      ILE  88   6.350   6.742   3.723
  208   2HG2  ILE  88          HG23      ILE  88   4.844   7.465   3.155
  209   3HG2  ILE  88          HG22      ILE  88   5.003   6.965   4.839
  210   1HD1  ILE  88          HD11      ILE  88   3.162   7.122   2.149
  211   2HD1  ILE  88          HD13      ILE  88   2.722   6.096   0.783
  212   3HD1  ILE  88          HD12      ILE  88   2.244   5.640   2.419
  213    H    LEU  89           HN       LEU  89   4.773   3.713   5.915
  214    HA   LEU  89           HA       LEU  89   6.314   5.266   7.703
  215   1HB   LEU  89           HB2      LEU  89   4.615   4.514   8.982
  216   2HB   LEU  89           HB1      LEU  89   4.277   3.204   7.857
  217    HG   LEU  89           HG       LEU  89   6.142   1.898   8.909
  218   1HD1  LEU  89          HD11      LEU  89   7.104   4.178   9.848
  219   2HD1  LEU  89          HD13      LEU  89   6.048   3.816  11.214
  220   3HD1  LEU  89          HD12      LEU  89   7.319   2.682  10.758
  221   1HD2  LEU  89          HD23      LEU  89   3.594   2.677  10.149
  222   2HD2  LEU  89          HD22      LEU  89   4.277   1.069   9.906
  223   3HD2  LEU  89          HD21      LEU  89   4.762   2.031  11.302
  224    H    LEU  90           HN       LEU  90   6.739   1.853   6.722
  225    HA   LEU  90           HA       LEU  90   9.001   1.292   8.345
  226   1HB   LEU  90           HB2      LEU  90   8.019   0.227   5.708
  227   2HB   LEU  90           HB1      LEU  90   9.605  -0.261   6.304
  228    HG   LEU  90           HG       LEU  90   8.288  -0.700   8.551
  229   1HD1  LEU  90          HD11      LEU  90   6.138  -0.865   6.419
  230   2HD1  LEU  90          HD13      LEU  90   5.984  -1.545   8.039
  231   3HD1  LEU  90          HD12      LEU  90   6.148   0.198   7.826
  232   1HD2  LEU  90          HD22      LEU  90   8.223  -2.461   6.084
  233   2HD2  LEU  90          HD21      LEU  90   9.425  -2.471   7.373
  234   3HD2  LEU  90          HD23      LEU  90   7.785  -3.034   7.694
  235    H    ILE  91           HN       ILE  91   8.860   2.619   5.029
  236    HA   ILE  91           HA       ILE  91  11.654   2.869   4.616
  237    HB   ILE  91           HB       ILE  91   9.375   4.611   3.630
  238   1HG1  ILE  91          HG12      ILE  91  10.928   2.371   2.294
  239   2HG1  ILE  91          HG11      ILE  91   9.312   2.202   2.980
  240   1HG2  ILE  91          HG23      ILE  91  12.123   5.162   3.557
  241   2HG2  ILE  91          HG22      ILE  91  11.756   4.504   1.962
  242   3HG2  ILE  91          HG21      ILE  91  10.876   5.911   2.559
  243   1HD1  ILE  91          HD13      ILE  91   9.092   4.446   1.353
  244   2HD1  ILE  91          HD12      ILE  91  10.128   3.362   0.424
  245   3HD1  ILE  91          HD11      ILE  91   8.535   2.822   0.950
  246    H    SER  92           HN       SER  92   9.363   5.230   6.042
  247    HA   SER  92           HA       SER  92  11.267   7.279   6.502
  248   1HB   SER  92           HB2      SER  92   8.643   6.522   7.685
  249   2HB   SER  92           HB1      SER  92   9.655   7.596   8.643
  250    HG   SER  92           HG       SER  92   8.120   8.403   6.835
  251    H    TYR  93           HN       TYR  93  10.291   4.561   8.626
  252    HA   TYR  93           HA       TYR  93  12.054   5.187  10.763
  253   1HB   TYR  93           HB2      TYR  93  10.266   3.421  10.815
  254   2HB   TYR  93           HB1      TYR  93  11.305   2.406   9.813
  255    HD1  TYR  93           HD1      TYR  93  11.098   4.180  13.081
  256    HD2  TYR  93           HD2      TYR  93  13.127   1.195  10.751
  257    HE1  TYR  93           HE1      TYR  93  12.323   3.432  15.104
  258    HE2  TYR  93           HE2      TYR  93  14.350   0.446  12.774
  259    HH   TYR  93           HH       TYR  93  14.566   2.233  15.554
  260    H    GLY  94           HN       GLY  94  12.603   3.101   7.894
  261   1HA   GLY  94           HA2      GLY  94  15.265   2.353   8.503
  262   2HA   GLY  94           HA1      GLY  94  14.605   2.442   6.873
  263    H    ILE  95           HN       ILE  95  14.113   5.141   6.561
  264    HA   ILE  95           HA       ILE  95  16.695   6.156   5.958
  265    HB   ILE  95           HB       ILE  95  14.812   7.089   4.798
  266   1HG1  ILE  95          HG12      ILE  95  15.152   9.584   6.091
  267   2HG1  ILE  95          HG11      ILE  95  16.675   8.715   6.283
  268   1HG2  ILE  95          HG21      ILE  95  13.850   8.033   7.512
  269   2HG2  ILE  95          HG23      ILE  95  13.106   8.448   5.969
  270   3HG2  ILE  95          HG22      ILE  95  13.107   6.775   6.524
  271   1HD1  ILE  95          HD12      ILE  95  15.220   9.038   3.643
  272   2HD1  ILE  95          HD11      ILE  95  16.566  10.051   4.166
  273   3HD1  ILE  95          HD13      ILE  95  16.816   8.328   3.888
  274    H    ARG  96           HN       ARG  96  14.575   6.874   8.737
  275    HA   ARG  96           HA       ARG  96  16.262   8.758  10.004
  276   1HB   ARG  96           HB2      ARG  96  14.595   6.693  11.455
  277   2HB   ARG  96           HB1      ARG  96  15.028   8.312  12.008
  278   1HG   ARG  96           HG2      ARG  96  13.767   8.590   9.468
  279   2HG   ARG  96           HG1      ARG  96  12.760   7.520  10.445
  280   1HD   ARG  96           HD2      ARG  96  13.755   9.756  12.016
  281   2HD   ARG  96           HD1      ARG  96  12.854  10.313  10.606
  282    HE   ARG  96           HE       ARG  96  11.244   8.326  11.672
  283   1HH1  ARG  96          HH21      ARG  96  11.665  11.596  11.967
  284   2HH1  ARG  96          HH22      ARG  96  10.946  11.749  13.534
  285   1HH2  ARG  96          HH11      ARG  96  10.787   8.329  14.089
  286   2HH2  ARG  96          HH12      ARG  96  10.451   9.900  14.737
  287    H    ARG  97           HN       ARG  97  16.165   5.206  10.371
  288    HA   ARG  97           HA       ARG  97  18.223   4.993  12.298
  289   1HB   ARG  97           HB2      ARG  97  16.679   3.148  11.420
  290   2HB   ARG  97           HB1      ARG  97  17.802   3.001  10.067
  291   1HG   ARG  97           HG2      ARG  97  19.350   3.078  12.460
  292   2HG   ARG  97           HG1      ARG  97  18.052   1.910  12.705
  293   1HD   ARG  97           HD2      ARG  97  18.907   1.392  10.108
  294   2HD   ARG  97           HD1      ARG  97  20.403   1.729  10.979
  295    HE   ARG  97           HE       ARG  97  19.041  -0.009  12.651
  296   1HH1  ARG  97          HH21      ARG  97  21.375  -0.274  10.411
  297   2HH1  ARG  97          HH22      ARG  97  20.960  -1.851   9.830
  298   1HH2  ARG  97          HH11      ARG  97  17.891  -1.928  11.446
  299   2HH2  ARG  97          HH12      ARG  97  18.986  -2.789  10.416
  300    H    LEU  98           HN       LEU  98  18.478   4.936   8.730
  301    HA   LEU  98           HA       LEU  98  21.280   4.555   8.593
  302   1HB   LEU  98           HB2      LEU  98  20.595   4.467   6.436
  303   2HB   LEU  98           HB1      LEU  98  19.128   5.369   6.798
  304    HG   LEU  98           HG       LEU  98  20.448   7.480   6.706
  305   1HD1  LEU  98          HD13      LEU  98  22.626   5.950   7.105
  306   2HD1  LEU  98          HD12      LEU  98  22.685   6.061   5.346
  307   3HD1  LEU  98          HD11      LEU  98  22.714   7.528   6.324
  308   1HD2  LEU  98          HD23      LEU  98  19.623   5.811   4.574
  309   2HD2  LEU  98          HD22      LEU  98  19.843   7.560   4.534
  310   3HD2  LEU  98          HD21      LEU  98  21.175   6.492   4.091
  311    H    ILE  99           HN       ILE  99  19.392   7.573   8.754
  312    HA   ILE  99           HA       ILE  99  21.733   9.276   8.828
  313    HB   ILE  99           HB       ILE  99  20.106  11.034   9.500
  314   1HG1  ILE  99          HG12      ILE  99  18.128   8.733   9.487
  315   2HG1  ILE  99          HG11      ILE  99  18.711   9.547  10.939
  316   1HG2  ILE  99          HG22      ILE  99  19.913   9.309   7.143
  317   2HG2  ILE  99          HG21      ILE  99  18.402  10.150   7.488
  318   3HG2  ILE  99          HG23      ILE  99  19.887  11.069   7.246
  319   1HD1  ILE  99          HD13      ILE  99  17.900  11.668   9.383
  320   2HD1  ILE  99          HD12      ILE  99  16.711  10.432   8.969
  321   3HD1  ILE  99          HD11      ILE  99  16.926  10.921  10.650
  322    H    LYS 100           HN       LYS 100  19.649   7.780  11.271
  323    HA   LYS 100           HA       LYS 100  21.268   9.034  13.425
  324   1HB   LYS 100           HB2      LYS 100  18.603   8.656  13.316
  325   2HB   LYS 100           HB1      LYS 100  19.069   7.129  14.067
  326   1HG   LYS 100           HG2      LYS 100  20.491   9.388  15.238
  327   2HG   LYS 100           HG1      LYS 100  18.742   9.572  15.377
  328   1HD   LYS 100           HD2      LYS 100  20.213   7.036  16.139
  329   2HD   LYS 100           HD1      LYS 100  19.816   8.311  17.290
  330   1HE   LYS 100           HE2      LYS 100  17.394   7.982  16.137
  331   2HE   LYS 100           HE1      LYS 100  18.034   6.348  15.948
  332   1HZ   LYS 100           HZ2      LYS 100  18.477   7.554  18.542
  333   2HZ   LYS 100           HZ1      LYS 100  16.850   7.245  18.169
  334   3HZ   LYS 100           HZ3      LYS 100  17.979   5.980  18.145
  335    H    LYS 101           HN       LYS 101  23.020   7.510  12.328
  336    HA   LYS 101           HA       LYS 101  24.344   5.571  12.487
  337   1HB   LYS 101           HB2      LYS 101  23.378   6.276  15.161
  338   2HB   LYS 101           HB1      LYS 101  23.779   4.565  15.011
  339   1HG   LYS 101           HG2      LYS 101  26.003   4.976  14.771
  340   2HG   LYS 101           HG1      LYS 101  25.728   6.396  13.760
  341   1HD   LYS 101           HD2      LYS 101  26.336   7.612  15.569
  342   2HD   LYS 101           HD1      LYS 101  24.755   7.194  16.229
  343   1HE   LYS 101           HE2      LYS 101  25.866   6.186  17.918
  344   2HE   LYS 101           HE1      LYS 101  26.307   4.940  16.750
  345   1HZ   LYS 101           HZ2      LYS 101  27.855   7.429  17.210
  346   2HZ   LYS 101           HZ1      LYS 101  28.229   5.925  17.908
  347   3HZ   LYS 101           HZ3      LYS 101  28.301   6.120  16.225
  348   1H    VAL  62           HT2      VAL  62  -4.098 -13.280  14.593
  349   2H    VAL  62           HT1      VAL  62  -2.657 -13.277  13.694
  350   3H    VAL  62           HT3      VAL  62  -2.596 -13.256  15.388
  351    HA   VAL  62           HA       VAL  62  -2.254 -11.059  15.035
  352    HB   VAL  62           HB       VAL  62  -3.125  -9.861  13.075
  353   1HG1  VAL  62          HG11      VAL  62  -1.110 -11.613  13.050
  354   2HG1  VAL  62          HG13      VAL  62  -2.167 -12.439  11.905
  355   3HG1  VAL  62          HG12      VAL  62  -1.631 -10.792  11.578
  356   1HG2  VAL  62          HG22      VAL  62  -4.770 -12.333  12.880
  357   2HG2  VAL  62          HG21      VAL  62  -5.183 -10.672  12.458
  358   3HG2  VAL  62          HG23      VAL  62  -4.207 -11.645  11.357
  359    H    GLN  63           HN       GLN  63  -4.103 -12.175  16.779
  360    HA   GLN  63           HA       GLN  63  -5.863  -9.945  17.259
  361   1HB   GLN  63           HB2      GLN  63  -7.193 -10.916  15.467
  362   2HB   GLN  63           HB1      GLN  63  -7.115 -12.506  16.226
  363   1HG   GLN  63           HG2      GLN  63  -9.270 -11.354  16.693
  364   2HG   GLN  63           HG1      GLN  63  -8.354 -11.674  18.166
  365   1HE2  GLN  63          HE22      GLN  63  -9.157  -7.848  17.098
  366   2HE2  GLN  63          HE21      GLN  63  -9.718  -9.161  16.182
  367    H    LEU  64           HN       LEU  64  -6.633 -10.017  19.384
  368    HA   LEU  64           HA       LEU  64  -5.861 -12.459  20.931
  369   1HB   LEU  64           HB2      LEU  64  -5.345  -9.644  21.352
  370   2HB   LEU  64           HB1      LEU  64  -6.260 -10.303  22.709
  371    HG   LEU  64           HG       LEU  64  -4.524 -12.296  22.483
  372   1HD1  LEU  64          HD11      LEU  64  -3.134  -9.918  21.220
  373   2HD1  LEU  64          HD13      LEU  64  -2.269 -11.303  21.887
  374   3HD1  LEU  64          HD12      LEU  64  -3.363 -11.520  20.521
  375   1HD2  LEU  64          HD21      LEU  64  -4.807 -10.034  24.126
  376   2HD2  LEU  64          HD23      LEU  64  -3.853 -11.475  24.478
  377   3HD2  LEU  64          HD22      LEU  64  -3.094 -10.082  23.709
  378    H    ALA  65           HN       ALA  65  -8.443 -10.346  20.034
  379    HA   ALA  65           HA       ALA  65 -10.202 -11.515  22.136
  380   1HB   ALA  65           HB3      ALA  65 -10.104  -8.958  20.721
  381   2HB   ALA  65           HB2      ALA  65 -11.713  -9.681  20.692
  382   3HB   ALA  65           HB1      ALA  65 -10.913  -9.370  22.232
  383    H    HIS  66           HN       HIS  66  -9.196 -12.770  19.520
  384    HA   HIS  66           HA       HIS  66 -10.085 -14.148  17.843
  385   1HB   HIS  66           HB2      HIS  66 -12.277 -14.077  19.909
  386   2HB   HIS  66           HB1      HIS  66 -12.496 -14.957  18.396
  387    HD1  HIS  66           HD1      HIS  66 -12.320 -17.325  19.335
  388    HD2  HIS  66           HD2      HIS  66  -9.056 -14.940  20.350
  389    HE1  HIS  66           HE1      HIS  66 -10.594 -18.871  20.356
  390    H    HIS  67           HN       HIS  67 -12.111 -14.290  16.297
  391    HA   HIS  67           HA       HIS  67 -13.364 -11.627  15.915
  392   1HB   HIS  67           HB2      HIS  67 -12.745 -11.733  13.466
  393   2HB   HIS  67           HB1      HIS  67 -11.380 -11.456  14.549
  394    HD1  HIS  67           HD1      HIS  67 -11.987 -13.287  11.670
  395    HD2  HIS  67           HD2      HIS  67 -10.473 -14.398  15.391
  396    HE1  HIS  67           HE1      HIS  67 -10.707 -15.442  11.307
  397    H    PHE  68           HN       PHE  68 -13.050 -14.928  14.572
  398    HA   PHE  68           HA       PHE  68 -14.680 -16.246  13.474
  399   1HB   PHE  68           HB2      PHE  68 -16.807 -16.363  14.991
  400   2HB   PHE  68           HB1      PHE  68 -15.268 -16.928  15.637
  401    HD1  PHE  68           HD1      PHE  68 -14.017 -15.598  17.276
  402    HD2  PHE  68           HD2      PHE  68 -17.814 -14.281  15.761
  403    HE1  PHE  68           HE1      PHE  68 -14.166 -13.928  19.103
  404    HE2  PHE  68           HE2      PHE  68 -17.964 -12.611  17.588
  405    HZ   PHE  68           HZ       PHE  68 -16.140 -12.435  19.260
  406    H    SER  69           HN       SER  69 -14.625 -13.927  12.092
  407    HA   SER  69           HA       SER  69 -17.511 -13.185  11.807
  408   1HB   SER  69           HB2      SER  69 -16.798 -11.010  11.010
  409   2HB   SER  69           HB1      SER  69 -15.987 -11.325  12.542
  410    HG   SER  69           HG       SER  69 -14.312 -10.806  11.324
  411    H    GLU  70           HN       GLU  70 -17.078 -11.821   9.310
  412    HA   GLU  70           HA       GLU  70 -17.091 -14.146   7.528
  413   1HB   GLU  70           HB2      GLU  70 -17.991 -11.377   7.450
  414   2HB   GLU  70           HB1      GLU  70 -17.150 -11.821   5.965
  415   1HG   GLU  70           HG2      GLU  70 -18.770 -13.302   5.338
  416   2HG   GLU  70           HG1      GLU  70 -19.044 -13.850   6.993
  417    HA   PRO  71           HA       PRO  71 -13.081 -13.938   5.784
  418   1HB   PRO  71           HB2      PRO  71 -13.760 -13.341   3.063
  419   2HB   PRO  71           HB1      PRO  71 -13.410 -14.924   3.770
  420   1HG   PRO  71           HG2      PRO  71 -15.969 -13.903   2.907
  421   2HG   PRO  71           HG1      PRO  71 -15.610 -15.491   3.600
  422   1HD   PRO  71           HD2      PRO  71 -16.972 -13.281   4.855
  423   2HD   PRO  71           HD1      PRO  71 -16.621 -14.878   5.544
  424    H    GLU  72           HN       GLU  72 -15.061 -11.197   5.728
  425    HA   GLU  72           HA       GLU  72 -13.968  -9.217   4.220
  426   1HB   GLU  72           HB2      GLU  72 -14.509  -9.047   7.199
  427   2HB   GLU  72           HB1      GLU  72 -14.320  -7.657   6.130
  428   1HG   GLU  72           HG2      GLU  72 -16.367  -9.827   5.628
  429   2HG   GLU  72           HG1      GLU  72 -16.725  -8.383   6.576
  430    H    ILE  73           HN       ILE  73 -12.530 -10.153   7.382
  431    HA   ILE  73           HA       ILE  73 -10.219  -8.560   7.188
  432    HB   ILE  73           HB       ILE  73 -11.035  -9.976   9.169
  433   1HG1  ILE  73          HG12      ILE  73  -8.585 -10.481   9.827
  434   2HG1  ILE  73          HG11      ILE  73  -8.173  -9.787   8.260
  435   1HG2  ILE  73          HG22      ILE  73 -11.159 -12.113   7.892
  436   2HG2  ILE  73          HG21      ILE  73  -9.405 -12.081   7.713
  437   3HG2  ILE  73          HG23      ILE  73 -10.125 -12.244   9.314
  438   1HD1  ILE  73          HD13      ILE  73 -10.093  -8.110   9.620
  439   2HD1  ILE  73          HD12      ILE  73  -8.687  -8.385  10.649
  440   3HD1  ILE  73          HD11      ILE  73  -8.481  -7.698   9.037
  441    H    THR  74           HN       THR  74 -10.754 -11.898   6.038
  442    HA   THR  74           HA       THR  74  -8.197 -12.466   5.042
  443    HB   THR  74           HB       THR  74 -10.677 -13.160   3.473
  444    HG1  THR  74           HG1      THR  74 -10.556 -15.014   5.102
  445   1HG2  THR  74          HG23      THR  74  -8.054 -13.845   3.158
  446   2HG2  THR  74          HG22      THR  74  -8.627 -15.164   4.180
  447   3HG2  THR  74          HG21      THR  74  -9.407 -14.847   2.630
  448    H    LEU  75           HN       LEU  75 -10.845 -10.733   3.402
  449    HA   LEU  75           HA       LEU  75  -9.311 -10.199   1.015
  450   1HB   LEU  75           HB2      LEU  75 -11.896  -9.230   2.154
  451   2HB   LEU  75           HB1      LEU  75 -11.119  -8.209   0.951
  452    HG   LEU  75           HG       LEU  75 -11.957 -11.101   0.632
  453   1HD1  LEU  75          HD13      LEU  75 -12.849  -8.439  -0.448
  454   2HD1  LEU  75          HD12      LEU  75 -13.092  -9.899  -1.408
  455   3HD1  LEU  75          HD11      LEU  75 -13.825  -9.763   0.191
  456   1HD2  LEU  75          HD23      LEU  75 -10.057  -9.384  -0.928
  457   2HD2  LEU  75          HD22      LEU  75  -9.985 -11.115  -0.601
  458   3HD2  LEU  75          HD21      LEU  75 -11.105 -10.492  -1.812
  459    H    ILE  76           HN       ILE  76 -10.038  -8.216   3.910
  460    HA   ILE  76           HA       ILE  76  -8.680  -5.883   3.063
  461    HB   ILE  76           HB       ILE  76  -8.990  -7.087   5.828
  462   1HG1  ILE  76          HG12      ILE  76 -10.373  -4.682   4.632
  463   2HG1  ILE  76          HG11      ILE  76 -11.033  -6.314   4.494
  464   1HG2  ILE  76          HG22      ILE  76  -7.370  -4.855   4.916
  465   2HG2  ILE  76          HG21      ILE  76  -8.618  -4.315   6.039
  466   3HG2  ILE  76          HG23      ILE  76  -7.477  -5.569   6.526
  467   1HD1  ILE  76          HD11      ILE  76 -10.250  -5.939   7.208
  468   2HD1  ILE  76          HD13      ILE  76 -11.188  -4.525   6.733
  469   3HD1  ILE  76          HD12      ILE  76 -11.880  -6.139   6.574
  470    H    ILE  77           HN       ILE  77  -7.381  -8.696   4.894
  471    HA   ILE  77           HA       ILE  77  -4.711  -7.725   5.038
  472    HB   ILE  77           HB       ILE  77  -4.041 -10.104   5.316
  473   1HG1  ILE  77          HG12      ILE  77  -6.967 -10.654   4.739
  474   2HG1  ILE  77          HG11      ILE  77  -5.624 -11.079   3.680
  475   1HG2  ILE  77          HG21      ILE  77  -4.975  -8.780   7.204
  476   2HG2  ILE  77          HG23      ILE  77  -6.585  -9.376   6.798
  477   3HG2  ILE  77          HG22      ILE  77  -5.341 -10.499   7.348
  478   1HD1  ILE  77          HD12      ILE  77  -4.911 -12.092   6.197
  479   2HD1  ILE  77          HD11      ILE  77  -6.620 -12.483   6.013
  480   3HD1  ILE  77          HD13      ILE  77  -5.457 -13.023   4.802
  481    H    PHE  78           HN       PHE  78  -6.266  -9.783   2.559
  482    HA   PHE  78           HA       PHE  78  -3.985 -10.085   0.891
  483   1HB   PHE  78           HB2      PHE  78  -6.911 -10.350   0.538
  484   2HB   PHE  78           HB1      PHE  78  -6.017  -9.985  -0.935
  485    HD1  PHE  78           HD1      PHE  78  -5.476 -12.102   2.123
  486    HD2  PHE  78           HD2      PHE  78  -5.368 -11.846  -2.163
  487    HE1  PHE  78           HE1      PHE  78  -4.701 -14.455   2.004
  488    HE2  PHE  78           HE2      PHE  78  -4.593 -14.201  -2.283
  489    HZ   PHE  78           HZ       PHE  78  -4.259 -15.503  -0.200
  490    H    GLY  79           HN       GLY  79  -6.522  -7.578   0.840
  491   1HA   GLY  79           HA2      GLY  79  -5.524  -6.080  -1.343
  492   2HA   GLY  79           HA1      GLY  79  -6.464  -5.400  -0.014
  493    H    VAL  80           HN       VAL  80  -4.787  -5.801   2.137
  494    HA   VAL  80           HA       VAL  80  -2.997  -3.616   1.963
  495    HB   VAL  80           HB       VAL  80  -2.771  -5.983   3.846
  496   1HG1  VAL  80          HG13      VAL  80  -0.899  -4.203   3.658
  497   2HG1  VAL  80          HG12      VAL  80  -2.066  -3.097   4.383
  498   3HG1  VAL  80          HG11      VAL  80  -1.549  -4.534   5.264
  499   1HG2  VAL  80          HG21      VAL  80  -5.040  -4.581   3.544
  500   2HG2  VAL  80          HG23      VAL  80  -4.477  -5.101   5.131
  501   3HG2  VAL  80          HG22      VAL  80  -4.178  -3.451   4.587
  502    H    MET  81           HN       MET  81  -2.296  -7.128   1.727
  503    HA   MET  81           HA       MET  81   0.510  -6.888   1.354
  504   1HB   MET  81           HB2      MET  81  -1.394  -8.911   0.128
  505   2HB   MET  81           HB1      MET  81   0.359  -9.085   0.213
  506   1HG   MET  81           HG2      MET  81  -1.207  -8.556   2.724
  507   2HG   MET  81           HG1      MET  81  -1.131 -10.192   2.069
  508   1HE   MET  81           HE1      MET  81   1.084 -10.975   0.979
  509   2HE   MET  81           HE3      MET  81   2.491 -11.164   2.036
  510   3HE   MET  81           HE2      MET  81   0.929 -11.820   2.517
  511    H    ALA  82           HN       ALA  82  -2.132  -6.907  -1.041
  512    HA   ALA  82           HA       ALA  82  -0.523  -6.588  -3.352
  513   1HB   ALA  82           HB3      ALA  82  -3.359  -6.313  -2.692
  514   2HB   ALA  82           HB2      ALA  82  -2.841  -5.134  -3.903
  515   3HB   ALA  82           HB1      ALA  82  -2.600  -6.857  -4.187
  516    H    GLY  83           HN       GLY  83  -1.957  -4.098  -1.202
  517   1HA   GLY  83           HA2      GLY  83  -1.068  -1.828  -2.633
  518   2HA   GLY  83           HA1      GLY  83  -1.328  -1.867  -0.887
  519    H    VAL  84           HN       VAL  84   0.602  -3.681  -0.057
  520    HA   VAL  84           HA       VAL  84   2.948  -2.094   0.052
  521    HB   VAL  84           HB       VAL  84   2.561  -5.074   0.442
  522   1HG1  VAL  84          HG11      VAL  84   4.991  -3.316   0.726
  523   2HG1  VAL  84          HG13      VAL  84   4.790  -4.732   1.757
  524   3HG1  VAL  84          HG12      VAL  84   4.865  -4.921   0.005
  525   1HG2  VAL  84          HG21      VAL  84   1.519  -3.194   1.963
  526   2HG2  VAL  84          HG23      VAL  84   2.316  -4.577   2.713
  527   3HG2  VAL  84          HG22      VAL  84   3.167  -3.038   2.571
  528    H    ILE  85           HN       ILE  85   2.235  -4.929  -2.027
  529    HA   ILE  85           HA       ILE  85   4.711  -4.981  -3.407
  530    HB   ILE  85           HB       ILE  85   1.926  -5.657  -4.403
  531   1HG1  ILE  85          HG12      ILE  85   4.129  -7.528  -3.509
  532   2HG1  ILE  85          HG11      ILE  85   2.935  -6.885  -2.379
  533   1HG2  ILE  85          HG21      ILE  85   3.807  -5.204  -6.138
  534   2HG2  ILE  85          HG23      ILE  85   4.522  -6.698  -5.531
  535   3HG2  ILE  85          HG22      ILE  85   2.916  -6.722  -6.260
  536   1HD1  ILE  85          HD12      ILE  85   1.517  -7.807  -4.667
  537   2HD1  ILE  85          HD11      ILE  85   2.654  -9.075  -4.210
  538   3HD1  ILE  85          HD13      ILE  85   1.485  -8.473  -3.034
  539    H    GLY  86           HN       GLY  86   1.708  -3.204  -4.201
  540   1HA   GLY  86           HA2      GLY  86   2.613  -1.974  -6.581
  541   2HA   GLY  86           HA1      GLY  86   1.394  -1.286  -5.508
  542    H    THR  87           HN       THR  87   2.855  -0.821  -3.204
  543    HA   THR  87           HA       THR  87   4.140   1.641  -3.750
  544    HB   THR  87           HB       THR  87   4.771  -0.130  -1.377
  545    HG1  THR  87           HG1      THR  87   2.565  -0.053  -1.517
  546   1HG2  THR  87          HG23      THR  87   4.868   2.816  -1.979
  547   2HG2  THR  87          HG22      THR  87   4.709   2.248  -0.318
  548   3HG2  THR  87          HG21      THR  87   6.117   1.789  -1.276
  549    H    ILE  88           HN       ILE  88   5.565  -1.583  -3.151
  550    HA   ILE  88           HA       ILE  88   8.288  -0.829  -3.392
  551    HB   ILE  88           HB       ILE  88   6.993  -3.422  -4.290
  552   1HG1  ILE  88          HG12      ILE  88   8.149  -2.572  -1.613
  553   2HG1  ILE  88          HG11      ILE  88   6.448  -2.894  -1.956
  554   1HG2  ILE  88          HG22      ILE  88   9.841  -2.630  -3.633
  555   2HG2  ILE  88          HG21      ILE  88   9.307  -4.309  -3.694
  556   3HG2  ILE  88          HG23      ILE  88   9.232  -3.306  -5.144
  557   1HD1  ILE  88          HD13      ILE  88   7.778  -5.176  -2.867
  558   2HD1  ILE  88          HD12      ILE  88   8.591  -4.772  -1.354
  559   3HD1  ILE  88          HD11      ILE  88   6.848  -5.036  -1.375
  560    H    LEU  89           HN       LEU  89   5.985  -1.905  -5.897
  561    HA   LEU  89           HA       LEU  89   7.766  -1.767  -8.092
  562   1HB   LEU  89           HB2      LEU  89   5.936  -2.288  -9.330
  563   2HB   LEU  89           HB1      LEU  89   5.124  -2.442  -7.779
  564    HG   LEU  89           HG       LEU  89   4.559   0.053  -7.998
  565   1HD1  LEU  89          HD12      LEU  89   6.287  -0.113 -10.160
  566   2HD1  LEU  89          HD11      LEU  89   4.696  -0.137 -10.920
  567   3HD1  LEU  89          HD13      LEU  89   5.149   1.200  -9.864
  568   1HD2  LEU  89          HD21      LEU  89   3.314  -2.272  -8.967
  569   2HD2  LEU  89          HD23      LEU  89   2.543  -0.718  -8.651
  570   3HD2  LEU  89          HD22      LEU  89   3.153  -1.088 -10.263
  571    H    LEU  90           HN       LEU  90   5.660   0.772  -6.716
  572    HA   LEU  90           HA       LEU  90   6.307   2.826  -8.570
  573   1HB   LEU  90           HB2      LEU  90   4.538   3.126  -6.908
  574   2HB   LEU  90           HB1      LEU  90   5.717   3.036  -5.598
  575    HG   LEU  90           HG       LEU  90   6.783   5.077  -6.320
  576   1HD1  LEU  90          HD11      LEU  90   4.954   4.804  -8.714
  577   2HD1  LEU  90          HD13      LEU  90   5.763   6.317  -8.309
  578   3HD1  LEU  90          HD12      LEU  90   6.716   4.886  -8.699
  579   1HD2  LEU  90          HD21      LEU  90   3.925   4.945  -5.744
  580   2HD2  LEU  90          HD23      LEU  90   5.139   6.057  -5.115
  581   3HD2  LEU  90          HD22      LEU  90   4.343   6.399  -6.651
  582    H    ILE  91           HN       ILE  91   7.927   1.927  -5.507
  583    HA   ILE  91           HA       ILE  91   9.970   3.901  -5.596
  584    HB   ILE  91           HB       ILE  91  10.027   1.060  -4.531
  585   1HG1  ILE  91          HG12      ILE  91   9.799   3.698  -3.057
  586   2HG1  ILE  91          HG11      ILE  91   8.399   2.740  -3.541
  587   1HG2  ILE  91          HG23      ILE  91  12.056   3.268  -4.513
  588   2HG2  ILE  91          HG22      ILE  91  11.929   2.217  -3.102
  589   3HG2  ILE  91          HG21      ILE  91  12.300   1.530  -4.683
  590   1HD1  ILE  91          HD13      ILE  91  10.116   0.902  -2.313
  591   2HD1  ILE  91          HD12      ILE  91  10.208   2.342  -1.298
  592   3HD1  ILE  91          HD11      ILE  91   8.647   1.587  -1.620
  593    H    SER  92           HN       SER  92   9.914   0.599  -6.973
  594    HA   SER  92           HA       SER  92  12.508   0.678  -8.122
  595   1HB   SER  92           HB2      SER  92  10.898  -0.709  -9.952
  596   2HB   SER  92           HB1      SER  92  11.791  -1.410  -8.605
  597    HG   SER  92           HG       SER  92   9.639  -1.947  -8.372
  598    H    TYR  93           HN       TYR  93   9.350   1.674  -9.476
  599    HA   TYR  93           HA       TYR  93  10.319   2.579 -11.987
  600   1HB   TYR  93           HB2      TYR  93   7.863   2.480 -10.831
  601   2HB   TYR  93           HB1      TYR  93   8.193   4.208 -10.711
  602    HD1  TYR  93           HD1      TYR  93   9.217   1.708 -13.299
  603    HD2  TYR  93           HD2      TYR  93   6.956   5.251 -12.414
  604    HE1  TYR  93           HE1      TYR  93   8.694   1.977 -15.708
  605    HE2  TYR  93           HE2      TYR  93   6.434   5.521 -14.823
  606    HH   TYR  93           HH       TYR  93   7.226   3.042 -17.162
  607    H    GLY  94           HN       GLY  94   9.937   4.373  -8.909
  608   1HA   GLY  94           HA2      GLY  94  10.885   6.877  -9.826
  609   2HA   GLY  94           HA1      GLY  94  11.009   6.316  -8.158
  610    H    ILE  95           HN       ILE  95  12.695   4.147  -8.393
  611    HA   ILE  95           HA       ILE  95  15.257   5.367  -8.499
  612    HB   ILE  95           HB       ILE  95  14.369   2.940  -7.623
  613   1HG1  ILE  95          HG12      ILE  95  17.212   2.785  -8.106
  614   2HG1  ILE  95          HG11      ILE  95  16.761   4.431  -7.659
  615   1HG2  ILE  95          HG21      ILE  95  14.360   2.049  -9.975
  616   2HG2  ILE  95          HG23      ILE  95  16.099   2.321 -10.034
  617   3HG2  ILE  95          HG22      ILE  95  15.424   1.164  -8.888
  618   1HD1  ILE  95          HD11      ILE  95  15.517   3.519  -5.699
  619   2HD1  ILE  95          HD13      ILE  95  16.090   1.905  -6.121
  620   3HD1  ILE  95          HD12      ILE  95  17.241   3.151  -5.637
  621    H    ARG  96           HN       ARG  96  13.584   3.399 -10.967
  622    HA   ARG  96           HA       ARG  96  15.627   3.439 -12.931
  623   1HB   ARG  96           HB2      ARG  96  12.648   3.620 -13.461
  624   2HB   ARG  96           HB1      ARG  96  13.880   2.968 -14.541
  625   1HG   ARG  96           HG2      ARG  96  14.193   1.589 -12.098
  626   2HG   ARG  96           HG1      ARG  96  12.457   1.636 -12.409
  627   1HD   ARG  96           HD2      ARG  96  14.469   0.832 -14.520
  628   2HD   ARG  96           HD1      ARG  96  13.706  -0.335 -13.439
  629    HE   ARG  96           HE       ARG  96  11.569   1.060 -14.513
  630   1HH1  ARG  96          HH11      ARG  96  13.500   1.389 -16.858
  631   2HH1  ARG  96          HH12      ARG  96  13.076   0.021 -17.831
  632   1HH2  ARG  96          HH21      ARG  96  11.353  -1.588 -15.287
  633   2HH2  ARG  96          HH22      ARG  96  11.859  -1.665 -16.941
  634    H    ARG  97           HN       ARG  97  12.962   5.739 -12.368
  635    HA   ARG  97           HA       ARG  97  13.554   7.519 -14.485
  636   1HB   ARG  97           HB2      ARG  97  11.533   7.539 -12.904
  637   2HB   ARG  97           HB1      ARG  97  12.566   8.407 -11.770
  638   1HG   ARG  97           HG2      ARG  97  13.041  10.035 -13.699
  639   2HG   ARG  97           HG1      ARG  97  11.678   9.277 -14.523
  640   1HD   ARG  97           HD2      ARG  97  11.211  10.087 -11.705
  641   2HD   ARG  97           HD1      ARG  97  11.390  11.399 -12.871
  642    HE   ARG  97           HE       ARG  97   9.596   9.690 -14.095
  643   1HH1  ARG  97          HH11      ARG  97   8.173   8.623 -12.055
  644   2HH1  ARG  97          HH12      ARG  97   7.200   9.879 -11.367
  645   1HH2  ARG  97          HH21      ARG  97   9.057  12.450 -12.768
  646   2HH2  ARG  97          HH22      ARG  97   7.700  12.046 -11.771
  647    H    LEU  98           HN       LEU  98  14.760   7.542 -11.115
  648    HA   LEU  98           HA       LEU  98  16.344   9.879 -11.316
  649   1HB   LEU  98           HB2      LEU  98  15.962   7.820  -9.425
  650   2HB   LEU  98           HB1      LEU  98  17.695   7.851  -9.753
  651    HG   LEU  98           HG       LEU  98  16.038  10.296  -9.074
  652   1HD1  LEU  98          HD12      LEU  98  16.313   8.570  -7.220
  653   2HD1  LEU  98          HD11      LEU  98  18.049   8.868  -7.319
  654   3HD1  LEU  98          HD13      LEU  98  16.954  10.174  -6.864
  655   1HD2  LEU  98          HD23      LEU  98  18.487  10.090 -10.362
  656   2HD2  LEU  98          HD22      LEU  98  17.909  11.511  -9.491
  657   3HD2  LEU  98          HD21      LEU  98  18.946  10.339  -8.677
  658    H    ILE  99           HN       ILE  99  17.221   6.483 -12.004
  659    HA   ILE  99           HA       ILE  99  19.896   7.155 -12.889
  660    HB   ILE  99           HB       ILE  99  19.915   4.840 -13.778
  661   1HG1  ILE  99          HG12      ILE  99  17.048   4.682 -12.819
  662   2HG1  ILE  99          HG11      ILE  99  17.469   4.976 -14.506
  663   1HG2  ILE  99          HG21      ILE  99  18.754   5.311 -11.025
  664   2HG2  ILE  99          HG23      ILE  99  19.259   3.712 -11.571
  665   3HG2  ILE  99          HG22      ILE  99  20.438   5.018 -11.456
  666   1HD1  ILE  99          HD13      ILE  99  18.784   2.675 -13.120
  667   2HD1  ILE  99          HD12      ILE  99  17.094   2.497 -13.590
  668   3HD1  ILE  99          HD11      ILE  99  18.318   2.846 -14.812
  669    H    LYS 100           HN       LYS 100  16.759   7.248 -14.340
  670    HA   LYS 100           HA       LYS 100  18.021   7.691 -17.016
  671   1HB   LYS 100           HB2      LYS 100  16.050   5.870 -16.351
  672   2HB   LYS 100           HB1      LYS 100  15.120   7.234 -16.976
  673   1HG   LYS 100           HG2      LYS 100  17.538   6.496 -18.532
  674   2HG   LYS 100           HG1      LYS 100  16.210   5.335 -18.573
  675   1HD   LYS 100           HD2      LYS 100  15.085   7.943 -18.852
  676   2HD   LYS 100           HD1      LYS 100  16.434   7.816 -19.983
  677   1HE   LYS 100           HE2      LYS 100  14.764   6.875 -21.274
  678   2HE   LYS 100           HE1      LYS 100  15.349   5.428 -20.452
  679   1HZ   LYS 100           HZ3      LYS 100  13.264   7.027 -19.155
  680   2HZ   LYS 100           HZ2      LYS 100  12.822   6.037 -20.464
  681   3HZ   LYS 100           HZ1      LYS 100  13.544   5.356 -19.084
  682    H    LYS 101           HN       LYS 101  18.375   9.950 -16.283
  683    HA   LYS 101           HA       LYS 101  16.318  11.713 -17.209
  684   1HB   LYS 101           HB2      LYS 101  15.269  11.075 -15.042
  685   2HB   LYS 101           HB1      LYS 101  16.701  11.669 -14.198
  686   1HG   LYS 101           HG2      LYS 101  16.298  13.897 -15.400
  687   2HG   LYS 101           HG1      LYS 101  14.711  13.256 -15.829
  688   1HD   LYS 101           HD2      LYS 101  14.493  12.732 -13.287
  689   2HD   LYS 101           HD1      LYS 101  15.811  13.889 -13.098
  690   1HE   LYS 101           HE2      LYS 101  13.888  15.007 -14.900
  691   2HE   LYS 101           HE1      LYS 101  13.037  14.440 -13.464
  692   1HZ   LYS 101           HZ3      LYS 101  15.537  15.939 -13.132
  693   2HZ   LYS 101           HZ2      LYS 101  14.119  16.793 -13.516
  694   3HZ   LYS 101           HZ1      LYS 101  14.191  15.849 -12.105
   
  No H/Q in entry =         694
  Start of MODEL   20
    1   1H    VAL  62           HT1      VAL  62 -17.168   5.395  11.775
    2   2H    VAL  62           HT3      VAL  62 -15.543   5.842  11.578
    3   3H    VAL  62           HT2      VAL  62 -16.626   5.985  10.277
    4    HA   VAL  62           HA       VAL  62 -16.881   3.605  10.156
    5    HB   VAL  62           HB       VAL  62 -15.003   4.752   8.948
    6   1HG1  VAL  62          HG11      VAL  62 -13.553   3.974  11.485
    7   2HG1  VAL  62          HG13      VAL  62 -12.700   4.296   9.976
    8   3HG1  VAL  62          HG12      VAL  62 -13.654   5.569  10.737
    9   1HG2  VAL  62          HG22      VAL  62 -15.167   1.939   9.739
   10   2HG2  VAL  62          HG21      VAL  62 -14.869   2.638   8.147
   11   3HG2  VAL  62          HG23      VAL  62 -13.532   2.410   9.274
   12    H    GLN  63           HN       GLN  63 -16.423   1.527  11.058
   13    HA   GLN  63           HA       GLN  63 -15.845  -0.008  12.742
   14   1HB   GLN  63           HB2      GLN  63 -13.687   1.602  12.685
   15   2HB   GLN  63           HB1      GLN  63 -14.301   2.029  14.278
   16   1HG   GLN  63           HG2      GLN  63 -13.244  -0.610  13.303
   17   2HG   GLN  63           HG1      GLN  63 -12.904   0.245  14.806
   18   1HE2  GLN  63          HE22      GLN  63 -15.859  -2.489  14.734
   19   2HE2  GLN  63          HE21      GLN  63 -14.801  -2.258  13.427
   20    H    LEU  64           HN       LEU  64 -17.862  -0.173  13.681
   21    HA   LEU  64           HA       LEU  64 -18.434   1.709  15.938
   22   1HB   LEU  64           HB2      LEU  64 -20.124   0.668  13.755
   23   2HB   LEU  64           HB1      LEU  64 -20.854   0.544  15.355
   24    HG   LEU  64           HG       LEU  64 -21.438   2.697  14.364
   25   1HD1  LEU  64          HD12      LEU  64 -20.351   2.325  16.869
   26   2HD1  LEU  64          HD11      LEU  64 -19.400   3.674  16.247
   27   3HD1  LEU  64          HD13      LEU  64 -21.156   3.798  16.327
   28   1HD2  LEU  64          HD22      LEU  64 -18.566   2.655  13.678
   29   2HD2  LEU  64          HD21      LEU  64 -19.906   3.454  12.858
   30   3HD2  LEU  64          HD23      LEU  64 -19.152   4.211  14.261
   31    H    ALA  65           HN       ALA  65 -19.806  -1.439  14.985
   32    HA   ALA  65           HA       ALA  65 -18.985  -2.464  17.672
   33   1HB   ALA  65           HB2      ALA  65 -21.454  -3.127  16.038
   34   2HB   ALA  65           HB1      ALA  65 -21.004  -3.927  17.545
   35   3HB   ALA  65           HB3      ALA  65 -21.414  -2.211  17.544
   36    H    HIS  66           HN       HIS  66 -17.834  -4.391  17.665
   37    HA   HIS  66           HA       HIS  66 -16.752  -5.373  15.195
   38   1HB   HIS  66           HB2      HIS  66 -16.687  -6.248  18.057
   39   2HB   HIS  66           HB1      HIS  66 -16.179  -7.398  16.821
   40    HD1  HIS  66           HD1      HIS  66 -14.511  -6.025  14.914
   41    HD2  HIS  66           HD2      HIS  66 -14.506  -4.798  18.899
   42    HE1  HIS  66           HE1      HIS  66 -12.356  -4.744  15.267
   43    H    HIS  67           HN       HIS  67 -17.842  -6.574  13.722
   44    HA   HIS  67           HA       HIS  67 -19.333  -8.936  14.505
   45   1HB   HIS  67           HB2      HIS  67 -21.540  -8.253  13.808
   46   2HB   HIS  67           HB1      HIS  67 -20.971  -7.072  14.987
   47    HD1  HIS  67           HD1      HIS  67 -20.403  -4.698  14.133
   48    HD2  HIS  67           HD2      HIS  67 -21.703  -7.276  11.126
   49    HE1  HIS  67           HE1      HIS  67 -20.864  -3.256  12.102
   50    H    PHE  68           HN       PHE  68 -21.011  -8.820  12.065
   51    HA   PHE  68           HA       PHE  68 -19.218 -10.006  10.215
   52   1HB   PHE  68           HB2      PHE  68 -21.948  -9.706  10.372
   53   2HB   PHE  68           HB1      PHE  68 -21.544  -8.674   8.999
   54    HD1  PHE  68           HD1      PHE  68 -19.911 -11.813  10.215
   55    HD2  PHE  68           HD2      PHE  68 -22.128  -9.894   7.076
   56    HE1  PHE  68           HE1      PHE  68 -19.626 -13.821   8.787
   57    HE2  PHE  68           HE2      PHE  68 -21.843 -11.901   5.647
   58    HZ   PHE  68           HZ       PHE  68 -20.591 -13.864   6.503
   59    H    SER  69           HN       SER  69 -18.595  -9.143   8.059
   60    HA   SER  69           HA       SER  69 -17.896  -6.251   8.270
   61   1HB   SER  69           HB2      SER  69 -16.121  -8.131   7.956
   62   2HB   SER  69           HB1      SER  69 -16.693  -8.179   6.292
   63    HG   SER  69           HG       SER  69 -15.040  -6.431   7.457
   64    H    GLU  70           HN       GLU  70 -20.002  -5.559   7.478
   65    HA   GLU  70           HA       GLU  70 -21.136  -6.463   5.018
   66   1HB   GLU  70           HB2      GLU  70 -21.603  -4.303   6.924
   67   2HB   GLU  70           HB1      GLU  70 -21.895  -3.793   5.261
   68   1HG   GLU  70           HG2      GLU  70 -22.986  -6.416   6.258
   69   2HG   GLU  70           HG1      GLU  70 -23.849  -4.911   6.580
   70    HA   PRO  71           HA       PRO  71 -18.967  -2.599   3.038
   71   1HB   PRO  71           HB2      PRO  71 -16.706  -1.960   4.713
   72   2HB   PRO  71           HB1      PRO  71 -18.075  -0.925   4.287
   73   1HG   PRO  71           HG2      PRO  71 -17.543  -2.158   6.831
   74   2HG   PRO  71           HG1      PRO  71 -18.933  -1.158   6.385
   75   1HD   PRO  71           HD2      PRO  71 -18.875  -4.006   6.837
   76   2HD   PRO  71           HD1      PRO  71 -20.268  -2.997   6.404
   77    H    GLU  72           HN       GLU  72 -18.507  -4.804   2.025
   78    HA