*HEADER   TRANSCRIPTION REGULATION                07-AUG-95   3HSF    
*TITLE    HEAT SHOCK TRANSCRIPTION FACTOR (HSF)                       
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: HEAT SHOCK TRANSCRIPTION FACTOR;                 
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 DOMAIN: RESIDUES 194 - 282;                                
*COMPND  5 SYNONYM: HSF;                                              
*COMPND  6 ENGINEERED: YES;                                           
*COMPND  7 MUTATION: INS(E89-RHA)                                     
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: KLUYVEROMYCES LACTIS;                 
*SOURCE  3 ORGANISM_COMMON: YEAST;                                    
*SOURCE  4 CELL_LINE: BL21(DE3);                                      
*SOURCE  5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE  6 EXPRESSION_SYSTEM_PLASMID: PHN212                          
*EXPDTA   NMR, 30 STRUCTURES                                          
*AUTHOR   F.F.DAMBERGER,J.G.PELTON,C.LIU,H.CHO,C.J.HARRISON,          
*AUTHOR  2 H.C.M.NELSON,D.E.WEMMER                                    
*REVDAT  1   14-NOV-95 3HSF    0                                      
*SPRSDE    14-NOV-95 3HSF      2HSF                                   



! residue  1  A 

 assign (resid  1 and name hb*) (resid 2 and name hn) 6.5 4.7 0.0

! residue  2  R
 assign (resid 2 and name ha) (resid 3 and name hd*) 4.3 2.5 0.2 
 
! residue  3  P
 assign (resid 3 and name ha) (resid 3 and name hb1) 2.4 0.6 0.3
 assign (resid 3 and name ha) (resid 3 and name hb2) 3.3 1.5 0.2
 assign (resid 3 and name hg*) (resid 3 and name hd*) 5.3 3.5 0.2 
 assign (resid 3 and name hb2) (resid 3 and name hg*) 4.3 2.5 0.2   
 assign (resid 3 and name ha) (resid 4 and name hn) 2.4 0.6 0.5 
 assign (resid 3 and name ha) (resid 5 and name hn) 5.0 3.2 0.0
 assign (resid 3 and name hb*) (resid 5 and name hn) 6.0 4.2 0.0
 assign (resid 3 and name hb2) (resid 6 and name hn) 3.3 1.5 0.4
 assign (resid 3 and name hd*) (resid 6 and name hb*) 4.3 2.5 0.2
 assign (resid 3 and name hg*) (resid 6 and name hg2*) 5.8 4.0 0.2
 assign (resid 3 and name hd*) (resid 6 and name hg2*) 5.8 4.0 0.2 
 assign (resid 3 and name hb1) (resid 63 and name he2) 5.0 3.2 0.0 
 assign (resid 3 and name hg*) (resid 63 and name he2) 4.3 2.5 0.2
 assign (resid 3 and name hg*) (resid 63 and name hd2) 6.0 4.2 0.0
 
! residue  4  A
 assign (resid 4 and name ha) (resid 4 and name hn) 3.3 1.5 0.4 
 assign (resid 4 and name ha) (resid 4 and name hb*) 3.9 2.1 0.3
 assign (resid 4 and name hb*) (resid 4 and name hn) 3.9 2.1 0.4
 assign (resid 4 and name ha) (resid 5 and name hn) 3.3 1.5 0.4 
 assign (resid 4 and name hn) (resid 5 and name hn) 3.3 1.5 0.4
 assign (resid 4 and name hb*) (resid 5 and name hn) 3.9 2.1 0.4 
 assign (resid 4 and name ha) (resid 7 and name hb1) 5.0 3.2 0.0 
 assign (resid 4 and name ha) (resid 7 and name hb2) 3.3 1.5 0.2
 assign (resid 4 and name ha) (resid 7 and name hn) 5.0 3.2 0.0 
 assign (resid 4 and name ha) (resid 7 and name hb*) 4.3 2.5 0.2 
 
! residue  5  F
 assign (resid 5 and name hn) (resid 5 and name ha) 3.3 1.5 0.4
 assign (resid 5 and name hn) (resid 5 and name hb1) 3.3 1.5 0.4
 assign (resid 5 and name hn) (resid 5 and name hb2) 3.3 1.5 0.4
 assign (resid 5 and name hn) (resid 5 and name hd*) 5.3 3.5 0.4
 assign (resid 5 and name ha) (resid 5 and name hb1) 3.3 1.5 0.2
 assign (resid 5 and name ha) (resid 5 and name hb2) 5.0 3.2 0.0
 assign (resid 5 and name ha) (resid 5 and name hd2) 2.4 0.6 0.3 
 assign (resid 5 and name hb1) (resid 5 and name hd*) 3.4 1.6 0.3
 assign (resid 5 and name hb2) (resid 5 and name hd*) 4.3 2.5 0.2 
 assign (resid 5 and name ha) (resid 6 and name hn) 5.0 3.2 0.0 
 assign (resid 5 and name hn) (resid 6 and name hn) 3.3 1.5 0.4 
 assign (resid 5 and name hb1) (resid 6 and name hn) 3.3 1.5 0.4
 assign (resid 5 and name hb2) (resid 6 and name hn) 5.0 3.2 0.0 
 assign (resid 5 and name hd1) (resid 6 and name hn) 5.0 3.2 0.0 
 assign (resid 5 and name ha) (resid 8 and name hb*) 4.3 2.5 0.2 
 assign (resid 5 and name he1) (resid 9 and name hd2*) 6.5 4.7 0.0 
 assign (resid 5 and name ha) (resid 48 and name he1) 5.0 3.2 0.0 
 assign (resid 5 and name he1) (resid 60 and name ha) 3.3 1.5 0.2 
 assign (resid 5 and name he1) (resid 60 and name hd2*) 4.8 3.0 0.2
 assign (resid 5 and name he1) (resid 60 and name hg) 3.3 1.5 0.2 
 assign (resid 5 and name hd1) (resid 63 and name hd1) 3.3 1.5 0.2

! residue  6  V
 assign (resid 6 and name hn) (resid 6 and name ha) 3.3 1.5 0.4
 assign (resid 6 and name hn) (resid 6 and name hb) 2.4 0.6 0.4
 assign (resid 6 and name hn) (resid 6 and name hg2*) 3.9 2.1 0.4 
 assign (resid 6 and name ha) (resid 6 and name hb) 5.0 3.2 0.0
 assign (resid 6 and name ha) (resid 6 and name hg1*) 4.8 3.0 0.2
 assign (resid 6 and name ha) (resid 6 and name hg2*) 4.8 3.0 0.2
 assign (resid 6 and name hb) (resid 6 and name hg2*) 3.9 2.1 0.3
 assign (resid 6 and name hb) (resid 6 and name hg1*) 4.8 3.0 0.2
 assign (resid 6 and name ha) (resid 7 and name hn) 5.0 3.2 0.0
 assign (resid 6 and name hn) (resid 7 and name hn) 3.3 1.5 0.4
 assign (resid 6 and name hb) (resid 7 and name hn) 3.3 1.5 0.4 
 assign (resid 6 and name hg*) (resid 7 and name hn) 7.9 6.1 0.0 
 assign (resid 6 and name ha) (resid 9 and name hn) 3.3 1.5 0.4
 assign (resid 6 and name ha) (resid 9 and name hb1) 3.3 1.5 0.2
 assign (resid 6 and name ha) (resid 9 and name hb2) 3.3 1.5 0.2 
 assign (resid 6 and name ha) (resid 9 and name hd2*) 4.8 3.0 0.2  
 assign (resid 6 and name hg1*) (resid 10 and name he3) 6.5 4.7 0.0
 assign (resid 6 and name hg1*) (resid 10 and name he1) 4.8 3.0 0.4
 assign (resid 6 and name hg2*) (resid 63 and name hd1) 4.8 3.0 0.2 
 assign (resid 6 and name hg1*) (resid 65 and name he1) 4.8 3.0 0.4

! residue  7  N
 assign (resid 7 and name hn) (resid 7 and name ha) 3.3 1.5 0.4 
 assign (resid 7 and name hn) (resid 7 and name hb*) 3.3 1.5 0.4
 assign (resid 7 and name ha) (resid 7 and name hb1) 3.3 1.5 0.2
 assign (resid 7 and name ha) (resid 7 and name hb2) 3.3 1.5 0.2 
 assign (resid 7 and name ha) (resid 8 and name hn) 5.0 3.2 0.0
 assign (resid 7 and name hn) (resid 8 and name hn) 3.3 1.5 0.4
 assign (resid 7 and name hb2) (resid 8 and name hn) 3.3 1.5 0.4 
 assign (resid 7 and name hb1) (resid 8 and name hn) 3.3 1.5 0.4
 assign (resid 7 and name ha) (resid 9 and name hn) 5.0 3.2 0.0
 assign (resid 7 and name ha) (resid 10 and name hn) 5.0 3.2 0.0 
 assign (resid 7 and name ha) (resid 10 and name hb*) 4.3 2.5 0.2 
 
! residue  8  K
 assign (resid 8 and name ha) (resid 8 and name hn) 3.3 1.5 0.4 
 assign (resid 8 and name ha) (resid 8 and name hb*) 4.3 2.5 0.2
 assign (resid 8 and name ha) (resid 8 and name hg*) 4.3 2.5 0.2
 assign (resid 8 and name hb*) (resid 8 and name hg*) 5.3 3.5 0.2
 assign (resid 8 and name ha) (resid 9 and name hn) 5.0 3.2 0.0
 assign (resid 8 and name hn) (resid 9 and name hn) 3.3 1.5 0.4
 assign (resid 8 and name hb*) (resid 9 and name hn) 6.0 4.2 0.0
 assign (resid 8 and name hb*) (resid 48 and name he1) 6.0 4.2 0.0 
 assign (resid 8 and name hd*) (resid 59 and name hg*) 7.0 5.2 0.0
 
! residue  9  L
 assign (resid 9 and name hn) (resid 9 and name ha) 3.3 1.5 0.4
 assign (resid 9 and name hn) (resid 9 and name hb1) 3.3 1.5 0.4
 assign (resid 9 and name hn) (resid 9 and name hb2) 3.3 1.5 0.4
 assign (resid 9 and name hn) (resid 9 and name hg) 5.0 3.2 0.0
 assign (resid 9 and name hn) (resid 9 and name hd2*) 6.5 4.7 0.0
 assign (resid 9 and name ha) (resid 9 and name hb2) 2.4 0.6 0.3 
 assign (resid 9 and name ha) (resid 9 and name hg) 3.3 1.5 0.2
 assign (resid 9 and name hb1) (resid 9 and name hg) 3.3 1.5 0.2
 assign (resid 9 and name ha) (resid 9 and name hd2*) 4.8 3.0 0.2  
 assign (resid 9 and name ha) (resid 9 and name hd1*) 3.9 2.1 0.3  
 assign (resid 9 and name hb1) (resid 9 and name hd1*) 4.8 3.0 0.2
 assign (resid 9 and name hb1) (resid 9 and name hd2*) 3.9 2.1 0.3
 assign (resid 9 and name hb2) (resid 9 and name hd1*) 4.8 3.0 0.2 
 assign (resid 9 and name hb2) (resid 9 and name hd2*) 4.8 3.0 0.2 
 assign (resid 9 and name ha) (resid 10 and name hn) 5.0 3.2 0.0 
 assign (resid 9 and name hn) (resid 10 and name hn) 3.3 1.5 0.4
 assign (resid 9 and name hb1) (resid 10 and name hn) 3.3 1.5 0.4 
 assign (resid 9 and name hb2) (resid 10 and name hn) 5.0 3.2 0.0 
 assign (resid 9 and name hd2*) (resid 10 and name hn) 6.5 4.7 0.0
 assign (resid 9 and name hg) (resid 10 and name hn) 5.0 3.2 0.0
 assign (resid 9 and name hd2*) (resid 10 and name hz3) 6.5 4.7 0.0
 assign (resid 9 and name ha) (resid 12 and name hb2) 6.0 4.5 0.2  
 assign (resid 9 and name hd1*) (resid 12 and name he*) 4.9 3.1 0.3
 assign (resid 9 and name hd1*) (resid 31 and name hd*) 4.9 3.1 0.3
 assign (resid 9 and name hd2*) (resid 31 and name hd*) 5.8 4.0 0.2
 assign (resid 9 and name hd1*) (resid 56 and name he*) 6.8 5.0 0.2 
 assign (resid 9 and name hd1*) (resid 56 and name hz) 4.8 3.0 0.2  
 assign (resid 9 and name hd1*) (resid 60 and name hd2*) 5.8 4.0 0.2 
 assign (resid 9 and name hd2*) (resid 60 and name hd2*) 4.9 3.1 0.3
 assign (resid 9 and name hd2*) (resid 65 and name he1) 4.8 3.0 0.4
 
! residue  10  W
 assign (resid 10 and name hn) (resid 10 and name ha) 3.3 1.5 0.4 
 assign (resid 10 and name hn) (resid 10 and name hb*) 3.9 2.1 0.4
 assign (resid 10 and name hn) (resid 10 and name he3) 5.0 3.2 0.0
 assign (resid 10 and name ha) (resid 10 and name hb*) 4.3 2.5 0.2
 assign (resid 10 and name hn) (resid 10 and name hd1) 5.0 3.2 0.0
 assign (resid 10 and name hn) (resid 11 and name hn) 3.3 1.5 0.4
 assign (resid 10 and name hb*) (resid 11 and name hn) 4.3 2.5 0.4
 assign (resid 10 and name ha) (resid 13 and name hn) 5.0 3.2 0.0
 assign (resid 10 and name ha) (resid 13 and name hb) 4.3 2.5 0.2 
 assign (resid 10 and name ha) (resid 13 and name hg1*) 6.5 4.7 0.0 
 assign (resid 10 and name ha) (resid 13 and name hg2*) 4.8 3.0 0.2
 assign (resid 10 and name hd1) (resid 10 and name hn) 5.0 3.2 0.0
 assign (resid 10 and name hd1) (resid 10 and name ha) 5.0 3.2 0.0
 assign (resid 10 and name hd1) (resid 10 and name hb*) 4.3 2.5 0.2
 assign (resid 10 and name ha) (resid 24 and name hz2) 5.0 3.2 0.0
 
! residue  11  S
 assign (resid 11 and name ha) (resid 12 and name hn) 3.3 1.5 0.4
 assign (resid 11 and name hn) (resid 12 and name hg*) 6.0 4.2 0.0
 assign (resid 11 and name hb*) (resid 12 and name hn) 4.3 2.5 0.4
 assign (resid 11 and name ha) (resid 14 and name hn) 5.0 3.2 0.0

! residue  12  M
 assign (resid 12 and name hn) (resid 12 and name ha) 5.0 3.2 0.0
 assign (resid 12 and name hn) (resid 12 and name hb1) 3.3 1.5 0.4
 assign (resid 12 and name hn) (resid 12 and name hb2) 5.0 3.2 0.0 
 assign (resid 12 and name hn) (resid 12 and name hg1) 5.0 3.2 0.0
 assign (resid 12 and name hn) (resid 12 and name hg2) 5.0 3.2 0.0 
 assign (resid 12 and name ha) (resid 13 and name hn) 5.0 3.2 0.0
 assign (resid 12 and name ha) (resid 12 and name hg*) 4.3 2.5 0.2 
 assign (resid 12 and name hn) (resid 13 and name hn) 5.0 3.2 0.0
 assign (resid 12 and name hb*) (resid 13 and name hn) 3.4 1.6 0.5 
 assign (resid 12 and name hg*) (resid 13 and name hn) 6.0 4.2 0.0 
 assign (resid 12 and name he*) (resid 13 and name hg1*) 7.5 5.7 0.0
 assign (resid 12 and name ha) (resid 14 and name hn) 5.0 3.2 0.0
 assign (resid 12 and name ha) (resid 15 and name hn) 5.0 3.2 0.0 
 assign (resid 12 and name ha) (resid 18 and name hd22) 3.3 1.5 0.2
 assign (resid 12 and name ha) (resid 18 and name hd21) 3.3 1.5 0.2
 assign (resid 12 and name ha) (resid 47 and name he*) 4.8 3.0 0.2
 assign (resid 12 and name he*) (resid 43 and name hg1*) 5.8 4.0 0.2 
 assign (resid 12 and name he*) (resid 44 and name ha) 4.8 3.0 0.2
 assign (resid 12 and name he*) (resid 44 and name hd1*) 5.8 4.0 0.2
 assign (resid 12 and name hb*) (resid 47 and name hd*) 8.0 6.2 0.0
 assign (resid 12 and name hb*) (resid 47 and name he1) 6.0 4.2 0.0
 assign (resid 12 and name hg*) (resid 47 and name he1) 6.0 4.2 0.0

! residue  13  V
 assign (resid 13 and name hn) (resid 13 and name ha) 3.3 1.5 0.4
 assign (resid 13 and name hn) (resid 13 and name hb) 3.3 1.5 0.4
 assign (resid 13 and name hn) (resid 13 and name hg1*) 6.5 4.7 0.0
 assign (resid 13 and name hn) (resid 13 and name hg2*) 4.8 3.0 0.4
 assign (resid 13 and name ha) (resid 13 and name hg1*) 3.5 1.7 0.3
 assign (resid 13 and name ha) (resid 13 and name hg2*) 3.5 1.7 0.3  
 assign (resid 13 and name ha) (resid 14 and name hn) 5.0 3.2 0.0
 assign (resid 13 and name hn) (resid 14 and name hn) 3.3 1.5 0.4
 assign (resid 13 and name hb) (resid 14 and name hn) 3.3 1.5 0.4
 assign (resid 13 and name hg1*) (resid 14 and name hn) 6.5 4.7 0.0
 assign (resid 13 and name hg2*) (resid 14 and name hn) 6.5 4.7 0.0
 assign (resid 13 and name ha) (resid 22 and name hg2*) 4.8 3.0 0.4
 assign (resid 13 and name hg1*) (resid 22 and name hg2*) 5.8 4.0 0.2 
 assign (resid 13 and name hg1*) (resid 22 and name hd1*) 7.5 5.7 0.0
 assign (resid 13 and name hg1*) (resid 22 and name hg12) 4.2 3.0 0.2 
 assign (resid 13 and name hg2*) (resid 22 and name hg2*) 5.8 4.0 0.2
 assign (resid 13 and name hg2*) (resid 22 and name hd*) 5.8 4.0 0.2
 assign (resid 13 and name hg1*) (resid 23 and name ha) 4.8 3.0 0.2 
 assign (resid 13 and name hg1*) (resid 24 and name hn) 4.8 3.0 0.4 
 assign (resid 13 and name hb)   (resid 24 and name he1) 5.0 3.2 0.0
 assign (resid 13 and name hg1*) (resid 24 and name he1) 6.5 4.7 0.0
 assign (resid 13 and name hg2*) (resid 24 and name he1) 4.8 3.0 0.4
 assign (resid 13 and name hg1*) (resid 31 and name hg2*) 7.5 5.7 0.0
 assign (resid 13 and name hg1*) (resid 31 and name hd*) 5.8 4.0 0.2 
 assign (resid 13 and name hg1*) (resid 32 and name hn) 6.5 4.7 0.0 
 
! residue  14  N
 assign (resid 14 and name hn) (resid 14 and name ha) 3.3 1.5 0.4
 assign (resid 14 and name ha) (resid 14 and name hb1) 3.3 1.5 0.2 
 assign (resid 14 and name ha) (resid 14 and name hb2) 3.3 1.5 0.2 
 assign (resid 14 and name hn) (resid 15 and name hn) 3.3 1.5 0.4
 assign (resid 14 and name hb*) (resid 15 and name hn) 4.3 2.5 0.4
 assign (resid 14 and name ha) (resid 24 and name he1) 3.3 1.5 0.4
 
! residue  15  D
 assign (resid 15 and name hn) (resid 15 and name ha) 3.3 1.5 0.4
 assign (resid 15 and name hn) (resid 15 and name hb*) 3.9 2.1 0.4
 assign (resid 15 and name ha) (resid 16 and name hn) 3.3 1.5 0.4
 assign (resid 15 and name hb*) (resid 22 and name hg2*) 5.8 4.0 0.2 
 
! residue  16  K
 assign (resid 16 and name hn) (resid 16 and name ha) 3.3 1.5 0.4
 assign (resid 16 and name hn) (resid 16 and name hb*) 5.6 3.8 0.0
 assign (resid 16 and name ha) (resid 16 and name hb*) 3.4 1.6 0.3
 assign (resid 16 and name ha) (resid 16 and name hg*) 4.3 2.5 0.2
 assign (resid 16 and name ha) (resid 16 and name hd*) 6.0 4.2 0.0
 assign (resid 16 and name hg*) (resid 16 and name hd*) 4.4 2.6 0.3
 assign (resid 16 and name hg*) (resid 16 and name he*) 5.3 3.5 0.2
 assign (resid 16 and name hb*) (resid 16 and name hg*) 4.4 2.6 0.3
 assign (resid 16 and name hd*) (resid 16 and name he*) 4.4 2.6 0.3
 assign (resid 16 and name ha) (resid 17 and name hn) 3.3 1.5 0.4
 assign (resid 16 and name hn) (resid 17 and name hn) 3.3 1.5 0.4
 assign (resid 16 and name hb*) (resid 17 and name hn) 4.3 2.5 0.4
 assign (resid 16 and name ha) (resid 19 and name hn) 5.0 3.2 0.0 
 assign (resid 16 and name ha) (resid 19 and name hb1) 5.0 3.2 0.0
 assign (resid 16 and name ha) (resid 19 and name hb2) 5.0 3.2 0.0

! residue  17  S
 assign (resid 17 and name hn) (resid 17 and name ha) 3.3 1.5 0.4
 assign (resid 17 and name hn) (resid 17 and name hb1) 3.3 1.5 0.4
 assign (resid 17 and name hn) (resid 17 and name hb2) 3.3 1.5 0.4
 assign (resid 17 and name ha) (resid 17 and name hb1) 3.3 1.5 0.2 
 assign (resid 17 and name ha) (resid 17 and name hb2) 3.3 1.5 0.2 
 assign (resid 17 and name ha) (resid 19 and name hn) 5.0 3.2 0.0
 
! residue  18  N
 assign (resid 18 and name hn) (resid 18 and name hb*) 3.9 2.1 0.4
 assign (resid 18 and name ha) (resid 18 and name hb*) 4.3 2.5 0.2
 assign (resid 18 and name hd22) (resid 18 and name hb*) 6.0 4.2 0.0
 assign (resid 18 and name hd21) (resid 18 and name hb*) 3.4 1.6 0.3
 assign (resid 18 and name ha) (resid 19 and name hn) 3.3 1.5 0.4
 assign (resid 18 and name ha) (resid 20 and name hn) 5.0 3.2 0.0
 assign (resid 18 and name ha) (resid 21 and name hn) 5.0 3.2 0.0 
 assign (resid 18 and name ha) (resid 21 and name hd2) 3.3 1.5 0.2 
 assign (resid 18 and name hb*) (resid 22 and name hg2*) 5.8 4.0 0.2 
 assign (resid 18 and name hb*) (resid 39 and name hd1) 4.3 2.5 0.2 
 assign (resid 18 and name hd21) (resid 43 and name hg2*) 6.5 4.7 0.0
 assign (resid 18 and name hd22) (resid 43 and name hg2*) 6.5 4.7 0.0 
 assign (resid 18 and name ha) (resid 43 and name hg2*) 4.8 3.0 0.2 
 assign (resid 18 and name hb1) (resid 43 and name hg*) 6.2 4.4 0.0
 assign (resid 18 and name hb2) (resid 43 and name hg*) 6.2 4.4 0.0 
 assign (resid 18 and name hd2*) (resid 47 and name he2) 3.3 1.5 0.2 
 
! residue  19  E
 assign (resid 19 and name hn) (resid 19 and name ha) 3.3 1.5 0.4
 assign (resid 19 and name hn) (resid 19 and name hb1) 3.3 1.5 0.4
 assign (resid 19 and name hn) (resid 19 and name hb2) 3.3 1.5 0.4  
 assign (resid 19 and name hn) (resid 19 and name hg*) 4.3 2.5 0.4  
 assign (resid 19 and name ha) (resid 20 and name hn) 3.3 1.5 0.4
 assign (resid 19 and name hn) (resid 20 and name hn) 5.0 3.2 0.0
 assign (resid 19 and name hb*) (resid 20 and name hn) 4.3 2.5 0.4
 assign (resid 19 and name hg*) (resid 20 and name hn) 6.0 4.2 0.0
 
! residue  20  K
 assign (resid 20 and name hn) (resid 20 and name ha) 3.3 1.5 0.4
 assign (resid 20 and name hn) (resid 20 and name hb*) 3.9 2.1 0.4
 assign (resid 20 and name ha) (resid 20 and name hb*) 3.4 1.6 0.3
 assign (resid 20 and name ha)  (resid 20 and name hd*) 6.0 4.2 0.0 
 assign (resid 20 and name hd*) (resid 20 and name he*) 4.4 2.6 0.3
 assign (resid 20 and name ha) (resid 21 and name hn) 5.0 3.2 0.0
 assign (resid 20 and name hn) (resid 21 and name hn) 3.3 1.5 0.4
 assign (resid 20 and name hb*) (resid 21 and name hn) 6.0 4.2 0.0
 
! residue  21  F
 assign (resid 21 and name hn) (resid 21 and name ha) 5.0 3.2 0.0
 assign (resid 21 and name hn) (resid 21 and name hb1) 5.0 3.2 0.0
 assign (resid 21 and name hn) (resid 21 and name hb2) 3.3 1.5 0.4
 assign (resid 21 and name hn) (resid 21 and name hd*) 7.0 5.2 0.0 
 assign (resid 21 and name ha) (resid 21 and name hd1) 2.4 0.6 0.3 
 assign (resid 21 and name ha) (resid 21 and name hb1) 3.3 1.5 0.2 
 assign (resid 21 and name hb2) (resid 21 and name hd*) 7.0 5.2 0.0
 assign (resid 21 and name hb1) (resid 21 and name hd*) 5.3 3.5 0.2 
 assign (resid 21 and name ha) (resid 22 and name hn) 5.0 3.2 0.0
 assign (resid 21 and name hb1) (resid 22 and name hn) 5.0 3.2 0.0
 assign (resid 21 and name hb2) (resid 22 and name hn) 3.3 1.5 0.4
 assign (resid 22 and name hn) (resid 21 and name hd*) 7.0 5.2 0.0
 assign (resid 21 and name ha) (resid 34 and name hd*) 6.0 4.2 0.0
 assign (resid 21 and name hd*) (resid 39 and name ha) 5.3 3.5 0.2
 assign (resid 21 and name hb2) (resid 43 and name hg*) 4.8 3.0 0.2
 assign (resid 21 and name hd2) (resid 43 and name hg2*) 6.5 4.7 0.0 
 
! residue  22  I
 assign (resid 22 and name hn) (resid 22 and name ha) 3.3 1.5 0.4
 assign (resid 22 and name hn) (resid 22 and name hg2*) 4.8 3.0 0.4
 assign (resid 22 and name ha) (resid 22 and name hb) 3.3 1.5 0.2
 assign (resid 22 and name ha) (resid 22 and name hg11) 3.3 1.5 0.2 
 assign (resid 22 and name ha) (resid 22 and name hg12) 5.0 3.2 0.0
 assign (resid 22 and name ha) (resid 22 and name hg2*) 4.4 2.6 0.2
 assign (resid 22 and name ha) (resid 22 and name hd*) 4.8 3.0 0.2
 assign (resid 22 and name hb) (resid 22 and name hd*) 4.8 3.0 0.2
 assign (resid 22 and name hb) (resid 22 and name hg2*) 3.5 1.7 0.3
 assign (resid 22 and name hg11) (resid 22 and name hd*) 4.8 3.0 0.2
 assign (resid 22 and name hg12) (resid 22 and name hd*) 4.8 3.0 0.2 
 assign (resid 22 and name hg2*) (resid 22 and name hd*) 4.9 3.1 0.3
 assign (resid 22 and name ha) (resid 23 and name hn) 2.4 0.6 0.5
 assign (resid 22 and name hb) (resid 23 and name hn) 5.0 3.2 0.0
 assign (resid 22 and name hd*) (resid 23 and name hn) 6.5 4.7 0.0
 assign (resid 22 and name ha) (resid 31 and name hg2*) 4.8 3.0 0.2 
 assign (resid 22 and name hg11) (resid 31 and name hg2*) 4.8 3.0 0.2
 assign (resid 22 and name hd*) (resid 31 and name hd*) 5.8 4.0 0.2 
 assign (resid 22 and name ha) (resid 33 and name ha) 3.3 1.5 0.2
 assign (resid 22 and name ha) (resid 33 and name hg2*) 6.5 4.7 0.0
 assign (resid 22 and name hb) (resid 33 and name hg2*) 6.5 4.7 0.0
 assign (resid 22 and name hg11) (resid 33 and name hg2*) 4.8 3.0 0.2 
 assign (resid 22 and name hd*) (resid 33 and name hg2*) 4.9 3.1 0.3 
 assign (resid 22 and name ha) (resid 34 and name hd*) 4.3 2.5 0.2
 assign (resid 22 and name hg2*) (resid 39 and name hd1) 4.8 3.0 0.2 
 assign (resid 22 and name hd*) (resid 39 and name hd*) 8.5 6.7 0.0

! residue  23  H
 assign (resid 23 and name hn) (resid 23 and name ha) 5.0 3.2 0.0 
 assign (resid 23 and name ha) (resid 24 and name hn) 2.4 0.6 0.5
 assign (resid 23 and name hb*) (resid 24 and name hn) 4.3 2.5 0.4 
 assign (resid 23 and name hn) (resid 32 and name hn) 3.3 1.5 0.4

! residue  24  W
 assign (resid 24 and name hn) (resid 24 and name ha) 3.3 1.5 0.4
 assign (resid 24 and name hn) (resid 24 and name hb1) 3.3 1.5 0.4
 assign (resid 24 and name hn) (resid 24 and name hb2) 3.3 1.5 0.4  
 assign (resid 24 and name hn) (resid 24 and name hd1) 3.3 1.5 0.4
 assign (resid 24 and name ha) (resid 24 and name hb1) 2.4 0.6 0.3 
 assign (resid 24 and name ha) (resid 24 and name hb2) 3.3 1.5 0.2
 assign (resid 24 and name hb1) (resid 24 and name hd1) 5.3 3.5 0.2
 assign (resid 24 and name hb2) (resid 24 and name hd1) 5.3 3.5 0.2 
 assign (resid 24 and name ha) (resid 25 and name hn) 2.4 0.6 0.5
 assign (resid 24 and name hb1) (resid 25 and name hn) 3.3 1.5 0.4
 assign (resid 24 and name hb2) (resid 25 and name hn) 5.0 3.2 0.0 
 assign (resid 24 and name ha) (resid 32 and name hn) 5.0 3.2 0.0
 assign (resid 24 and name ha) (resid 31 and name ha) 3.3 1.5 0.2

! residue  25  S
 assign (resid 25 and name hn) (resid 25 and name ha) 5.0 3.2 0.0
 assign (resid 25 and name hn) (resid 25 and name hb*) 5.6 3.8 0.0
 assign (resid 25 and name ha) (resid 25 and name hb*) 4.3 2.5 0.2 
 assign (resid 25 and name ha) (resid 26 and name hn) 3.3 1.5 0.4
 assign (resid 25 and name hn) (resid 26 and name hn) 5.0 3.2 0.0
 assign (resid 25 and name hb*) (resid 26 and name hn) 6.0 4.2 0.0
 assign (resid 25 and name hn) (resid 31 and name ha) 5.0 3.2 0.0
 assign (resid 25 and name hn) (resid 32 and name hg2*) 6.5 4.7 0.0
 assign (resid 25 and name ha) (resid 32 and name hg2*) 4.8 3.0 0.2 
 assign (resid 25 and name hb1) (resid 32 and name hg2*) 4.8 3.0 0.2
 assign (resid 25 and name hb2) (resid 32 and name hg2*) 4.8 3.0 0.2  

! residue  26  T
 assign (resid 26 and name hn) (resid 26 and name ha) 3.3 1.5 0.4
 assign (resid 26 and name hn) (resid 26 and name hb) 3.3 1.5 0.4
 assign (resid 26 and name hn) (resid 26 and name hg*) 6.5 4.7 0.0 
 assign (resid 26 and name ha) (resid 26 and name hg*) 3.9 2.1 0.3
 assign (resid 26 and name ha) (resid 27 and name hn) 3.3 1.5 0.4
 assign (resid 26 and name hg*) (resid 27 and name hn) 6.5 4.7 0.0
 
! residue  27  S

! residue  28  G
 assign (resid 28 and name ha*) (resid 29 and name hn) 5.0 3.2 0.0

! residue  29  E
 assign (resid 29 and name hn) (resid 29 and name ha) 3.3 1.5 0.4
 assign (resid 29 and name hn) (resid 29 and name hb*) 5.6 3.8 0.0 
 assign (resid 29 and name hn) (resid 29 and name hb*) 5.6 3.8 0.0 
 assign (resid 29 and name hn) (resid 29 and name hg*) 6.0 43.2 0.0 
 assign (resid 29 and name hb*) (resid 29 and name hg*) 4.4 2.6 0.3 
 assign (resid 29  and name hn) (resid 30 and name hn) 3.3 1.5 0.4
 assign (resid 29  and name hb*) (resid 30 and name hn) 6.0 4.2 0.0
 
! residue  30  S
 assign (resid 30 and name ha) (resid 30 and name hb*) 3.4 1.6 0.3
 assign (resid 30 and name ha) (resid 30 and name hn) 5.0 3.2 0.0
 assign (resid 30 and name ha) (resid 31 and name hn) 2.4 0.6 0.5
 assign (resid 30 and name hb1) (resid 31 and name hn) 5.0 3.2 0.0
 assign (resid 30 and name hb2) (resid 31 and name hn) 5.0 3.2 0.0 
 assign (resid 30 and name ha) (resid 65 and name hz3) 3.3 1.5 0.2 
 assign (resid 30 and name ha) (resid 87 and name ha) 3.3 1.5 0.2
 assign (resid 30 and name hb*) (resid 87 and name ha) 4.3 2.5 0.2 
 assign (resid 30 and name hb*) (resid 87 and name hg*) 7.0 5.2 0.0

! residue  31  I
 assign (resid 31 and name hn) (resid 31 and name ha) 5.0 3.2 0.0
 assign (resid 31 and name hn) (resid 31 and name hb) 3.3 1.5 0.4
 assign (resid 31 and name hn) (resid 31 and name hg1*) 6.5 4.7 0.0 
 assign (resid 31 and name ha) (resid 31 and name hb) 3.3 1.5 0.2 
 assign (resid 31 and name ha) (resid 31 and name hg1*) 5.0 3.2 0.0
 assign (resid 31 and name ha) (resid 31 and name hg2*) 4.8 3.0 0.2
 assign (resid 31 and name hb) (resid 31 and name hd*) 4.8 3.0 0.2
 assign (resid 31 and name hb) (resid 31 and name hg2*) 4.8 3.0 0.2  
 assign (resid 31 and name hg1*) (resid 31 and name hd*) 5.8 4.0 0.2
 assign (resid 31 and name hg2*) (resid 31 and name hd*) 4.9 3.1 0.3 
 assign (resid 31 and name ha) (resid 32 and name hn) 2.4 0.6 0.5
 assign (resid 31 and name hg2*) (resid 32 and name hn) 4.8 3.0 0.4
 assign (resid 31 and name hd*) (resid 60 and name hd1*) 7.5 5.7 0.0
 assign (resid 31 and name hd*) (resid 60 and name hd2*) 5.8 4.0 0.2 
 assign (resid 31 and name hd*) (resid 65 and name he1) 6.5 4.7 0.0
 assign (resid 31 and name hn) (resid 86 and name hn) 3.3 1.5 0.4
 assign (resid 31 and name hb) (resid 86 and name hd1) 5.0 3.2 0.0
 assign (resid 31 and name hg2*) (resid 86 and name hd*) 6.8 5.0 0.2
 assign (resid 31 and name hd*) (resid 86 and name hd*) 6.8 5.0 0.2
 assign (resid 31 and name hn) (resid 87 and name ha) 5.0 3.2 0.0
 
! residue  32  V
 assign (resid 32 and name hn) (resid 32 and name ha) 5.6 3.2 0.0
 assign (resid 32 and name hn) (resid 32 and name hb) 3.3 1.5 0.4
 assign (resid 32 and name hn) (resid 32 and name hg1*) 6.5 4.7 0.0
 assign (resid 32 and name hn) (resid 32 and name hg2*) 4.8 3.0 0.4
 assign (resid 32 and name ha) (resid 32 and name hb) 3.3 1.5 0.2
 assign (resid 32 and name ha) (resid 32 and name hg1*) 3.5 1.7 0.3
 assign (resid 32 and name ha) (resid 32 and name hg2*) 3.5 1.7 0.3
 assign (resid 32 and name ha) (resid 33 and name hn) 2.4 0.6 0.5
 assign (resid 32 and name hg1*) (resid 33 and name hn) 6.5 4.7 0.0
 assign (resid 32 and name hg1*) (resid 34 and name ha) 4.8 3.0 0.2
 assign (resid 32 and name hg1*) (resid 83 and name hd1*) 5.8 4.0 0.2  
 assign (resid 32 and name ha) (resid 85 and name ha) 3.3 1.5 0.2
 assign (resid 32 and name hg1*) (resid 34 and name ha) 6.5 4.7 0.0 
 assign (resid 32 and name hg1*) (resid 34 and name hd*) 7.5 5.7 0.0 
 assign (resid 32 and name hg1*) (resid 34 and name hg*) 5.8 4.0 0.2 
 assign (resid 32 and name hg1*) (resid 33 and name hn) 6.5 4.7 0.0 
 assign (resid 32 and name hg1*) (resid 34 and name ha) 4.8 3.0 0.2
 assign (resid 32 and name hg2*) (resid 85 and name ha) 4.8 3.0 0.2
 assign (resid 32 and name hg2*) (resid 85 and name ha) 6.5 4.7 0.0  

! residue  33  V
 assign (resid 33 and name ha) (resid 33 and name hg1*) 3.5 1.7 0.3 
 assign (resid 33 and name ha) (resid 33 and name hg2*) 3.5 1.7 0.3 
 assign (resid 33 and name ha) (resid 34 and name hd1) 3.3 1.5 0.2
 assign (resid 33 and name ha) (resid 34 and name hd2) 3.3 1.5 0.2 
 assign (resid 33 and name ha) (resid 34 and name hg*) 4.3 2.5 0.2
 assign (resid 33 and name hg1*) (resid 35 and name hn) 4.8 3.0 0.4 
 assign (resid 33 and name hg1*) (resid 36 and name hn) 6.5 4.7 0.0 
 assign (resid 33 and name hg1*) (resid 36 and name ha) 4.8 3.0 0.2
 assign (resid 33 and name hb) (resid 84 and name hn) 3.3 1.5 0.4
 assign (resid 33 and name hb) (resid 84 and name hb*) 6.0 4.2 0.0
 assign (resid 33 and name hn) (resid 85 and name ha) 3.3 1.5 0.4
 assign (resid 33 and name hg2*) (resid 86 and name hd*) 8.5 6.7 0.0
 assign (resid 33 and name hg2*) (resid 86 and name he2) 4.8 3.0 0.2
 assign (resid 33 and name hg1*) (resid 37 and name hn) 4.8 3.0 0.4 
 assign (resid 33 and name hg1*) (resid 84 and name he1) 6.5 4.7 0.0
 assign (resid 33 and name hg2*) (resid 84 and name hd1) 6.5 4.7 0.0 
 assign (resid 33 and name hg1*) (resid 39 and name hn) 6.5 4.7 0.0 
 assign (resid 33 and name hg1*) (resid 39 and name hb*) 5.8 4.0 0.2 
 assign (resid 33 and name hg1*) (resid 39 and name hd2) 6.5 4.7 0.0 

! residue  34  P
 assign (resid 34 and name ha) (resid 34 and name hb1) 2.4 0.6 0.3
 assign (resid 34 and name ha) (resid 34 and name hb2) 3.3 1.5 0.2 
 assign (resid 34 and name hb*) (resid 34 and name hg*) 5.3 3.5 0.2 
 assign (resid 34 and name hg*) (resid 34 and name ha) 6.0 4.2 0.0
 assign (resid 34 and name hg*) (resid 34 and name hd1) 4.3 2.5 0.2
 assign (resid 34 and name hg*) (resid 34 and name hd2) 4.3 2.5 0.2
 assign (resid 34 and name hg*) (resid 35 and name hn) 6.0 4.2 0.0
 assign (resid 34 and name hd*) (resid 35 and name hn) 6.0 4.2 0.0
 assign (resid 34 and name hb2) (resid 35 and name hn) 3.3 1.5 0.4 
 assign (resid 34 and name ha) (resid 83 and name ha) 5.0 3.2 0.0

! residue  35  N 
 assign (resid 35 and name hn) (resid 35 and name ha) 3.3 1.5 0.4
 assign (resid 35 and name hn) (resid 35 and name hb*) 3.9 2.1 0.2
 assign (resid 35 and name ha) (resid 35 and name hb*) 4.3 2.5 0.2
 assign (resid 35 and name ha) (resid 36 and name hn) 2.4 0.6 0.5
 assign (resid 35 and name hb*) (resid 36 and name hn) 6.0 4.2 0.0

! residue  36  R
 assign (resid 36 and name hn) (resid 36 and name ha) 3.3 1.5 0.4
 assign (resid 36 and name hn) (resid 36 and name hb1) 3.3 1.5 0.4
 assign (resid 36 and name hn) (resid 36 and name hb2) 3.3 1.5 0.4 
 assign (resid 36 and name hg1) (resid 36 and name ha) 5.0 3.2 0.0 
 assign (resid 36 and name hg2) (resid 36 and name ha) 5.0 3.2 0.0
 assign (resid 36 and name hn) (resid 37 and name hn) 5.0 3.2 0.0
 assign (resid 36 and name hb*) (resid 37 and name hn) 3.4 1.6 0.5
 assign (resid 36 and name ha) (resid 39 and name hn) 5.0 3.2 0.0
 assign (resid 36 and name hn) (resid 82 and name ha) 5.0 3.2 0.0
 assign (resid 36 and name hn) (resid 82 and name hb*) 6.0 4.2 0.0
 assign (resid 36 and name hb*) (resid 82 and name ha) 6.0 4.2 0.0
 assign (resid 36 and name hd*) (resid 84 and name he1) 4.3 2.5 0.4
 assign (resid 36 and name hb*) (resid 84 and name he1) 3.4 1.6 0.5

! residue  37  E
 assign (resid 37 and name hn) (resid 37 and name ha) 3.3 1.5 0.4
 assign (resid 37 and name hn) (resid 37 and name hb*) 3.9 2.1 0.4
 assign (resid 37 and name hn) (resid 37 and name hg*) 6.0 4.2 0.0
 assign (resid 37 and name ha) (resid 37 and name hb*) 4.3 2.5 0.2
 assign (resid 37 and name hb1) (resid 37 and name hg*) 3.4 1.6 0.3
 assign (resid 37 and name hb2) (resid 37 and name hg*) 3.4 1.6 0.3 
 assign (resid 37 and name ha) (resid 38 and name hn) 3.3 1.5 0.4 
 assign (resid 37 and name hn) (resid 38 and name hn) 3.3 1.5 0.4
 assign (resid 37 and name hb*) (resid 38 and name hn) 4.3 2.5 0.4
 assign (resid 37 and name hg*) (resid 38 and name hn) 6.0 4.2 0.0
 assign (resid 37 and name hb*) (resid 38 and name ha) 6.0 4.2 0.0 
 assign (resid 37 and name hg*) (resid 38 and name ha) 4.3 2.5 0.2 
 assign (resid 37 and name hn) (resid 39 and name hn) 5.0 3.2 0.0
 assign (resid 37 and name ha) (resid 40 and name hb) 5.0 3.2 0.0 
 assign (resid 37 and name ha) (resid 40 and name hg2*) 4.8 3.0 0.2
 assign (resid 37 and name hn) (resid 82 and name hb*) 6.0 4.2 0.0

! residue  38  R
 assign (resid 38 and name hn) (resid 38 and name ha) 3.3 1.5 0.4
 assign (resid 38 and name hn) (resid 38 and name hb*) 3.9 2.1 0.4
 assign (resid 38 and name ha) (resid 38 and name hb2) 3.3 1.5 0.2
 assign (resid 38 and name hn) (resid 38 and name hd*) 6.0 4.2 0.0
 assign (resid 38 and name hn) (resid 39 and name hn) 3.3 1.5 0.4
 assign (resid 38 and name hb1) (resid 39 and name hn) 3.3 1.5 0.4 
 assign (resid 38 and name ha) (resid 41 and name hb*) 4.3 2.5 0.2
 assign (resid 38 and name ha) (resid 42 and name hn) 5.0 3.2 0.0 
 
! residue  39  F
 assign (resid 39 and name hn) (resid 39 and name ha) 3.3 1.5 0.4
 assign (resid 39 and name hn) (resid 39 and name hb*) 3.9 2.1 0.4
 assign (resid 39 and name hn) (resid 39 and name hd*) 5.3 3.5 0.4
 assign (resid 39 and name ha) (resid 39 and name hd1) 3.3 1.5 0.2 
 assign (resid 39 and name hb*) (resid 39 and name hd*) 6.3 4.5 0.2
 assign (resid 39 and name ha) (resid 40 and name hn) 3.3 1.5 0.4
 assign (resid 39 and name hn) (resid 40 and name hn) 3.3 1.5 0.4
 assign (resid 39 and name hb*) (resid 40 and name hn) 4.3 2.5 0.4
 assign (resid 39 and name hb*) (resid 40 and name hg1*) 7.5 5.7 0.0
 assign (resid 39 and name hd*) (resid 40 and name hg1*) 8.5 6.7 0.0
 assign (resid 39 and name hd2) (resid 40 and name hg2*) 4.8 3.0 0.2
 assign (resid 39 and name hd2) (resid 40 and name hn) 5.0 3.2 0.0 
 assign (resid 39 and name hd2) (resid 41 and name hn) 5.0 3.2 0.0 
 assign (resid 39 and name ha) (resid 43 and name hg2*) 5.0 3.2 0.0 
 assign (resid 39 and name hd1) (resid 43 and name hb) 3.3 1.5 0.2
 assign (resid 39 and name hd*) (resid 44 and name hd1*) 8.5 6.7 0.0
 assign (resid 39 and name hd2) (resid 44 and name hd2*) 6.5 4.7 0.0 
 
! residue  40  V
 assign (resid 40 and name hn) (resid 40 and name ha) 3.3 1.5 0.4
 assign (resid 40 and name hn) (resid 40 and name hb) 3.3 1.5 0.4
 assign (resid 40 and name hn) (resid 40 and name hg1*) 6.5 4.7 0.0
 assign (resid 40 and name hn) (resid 40 and name hg2*) 4.8 3.0 0.4   
 assign (resid 40 and name ha) (resid 40 and name hb) 5.0 3.2 0.0 
 assign (resid 40 and name ha) (resid 40 and name hg1*) 3.5 1.7 0.3 
 assign (resid 40 and name ha) (resid 40 and name hg2*) 3.5 1.7 0.3
 assign (resid 40 and name hn) (resid 41 and name hn) 3.3 1.5 0.4
 assign (resid 40 and name hb) (resid 41 and name hn) 4.3 2.5 0.4
 assign (resid 40 and name hg2*) (resid 41 and name hn) 6.5 4.7 0.0
 assign (resid 40 and name hg1*) (resid 41 and name hn) 6.5 4.7 0.0 
 assign (resid 40 and name hg1*) (resid 41 and name ha) 4.8 3.0 0.2
 assign (resid 40 and name ha) (resid 43 and name hb) 5.0 3.2 0.0 
 assign (resid 40 and name ha) (resid 44 and name hn) 3.3 1.5 0.4
 assign (resid 40 and name ha) (resid 44 and name hb1) 3.3 1.5 0.2
 assign (resid 40 and name ha) (resid 44 and name hb2) 3.3 1.5 0.2 
 assign (resid 40 and name ha) (resid 44 and name hd2*) 4.8 3.0 0.2
 assign (resid 40 and name hg1*) (resid 44 and name hd1*) 7.5 5.7 0.0
 assign (resid 40 and name hg1*) (resid 44 and name hd2*) 5.8 4.0 0.2
 assign (resid 40 and name hg2*) (resid 53 and name ha) 6.5 4.7 0.0
 assign (resid 40 and name hg2*) (resid 56 and name hb*) 7.5 5.7 0.0 
 assign (resid 40 and name hg2*) (resid 53 and name hn) 4.8 3.0 0.4
 
! residue  41  Q
 assign (resid 41 and name hn) (resid 41 and name ha) 3.3 1.5 0.4
 assign (resid 41 and name hn) (resid 41 and name hb*) 3.9 2.1 0.4
 assign (resid 41 and name hn) (resid 41 and name hg*) 4.3 2.5 0.4 
 assign (resid 41 and name ha) (resid 41 and name hg1) 3.3 1.5 0.2
 assign (resid 41 and name ha) (resid 41 and name hg2) 3.3 1.5 0.2 
 assign (resid 41 and name hb*) (resid 41 and name hg*) 4.4 2.6 0.3
 assign (resid 41 and name he2*) (resid 41 and name hg*) 7.0 5.2 0.0
 assign (resid 41 and name ha) (resid 42 and name hn) 3.3 1.5 0.4 
 assign (resid 41 and name hb*) (resid 42 and name hn) 4.3 2.5 0.4

! residue  42  E
 assign (resid 42 and name hn) (resid 42 and name ha) 3.3 1.5 0.4
 assign (resid 42 and name hn) (resid 42 and name hb2) 3.3 1.5 0.4
 assign (resid 42 and name hn) (resid 42 and name hb1) 5.0 3.2 0.0
 assign (resid 42 and name hn) (resid 42 and name hg*) 4.3 2.5 0.4 
 assign (resid 42 and name ha) (resid 42 and name hb1) 3.3 1.5 0.2 
 assign (resid 42 and name ha) (resid 42 and name hg*) 3.4 1.6 0.3
 assign (resid 42 and name hb2) (resid 42 and name hg*) 4.3 2.5 0.2 
 assign (resid 42 and name hn) (resid 43 and name hn) 2.4 0.6 0.5
 assign (resid 42 and name hb2) (resid 43 and name hn) 5.0 3.2 0.0  
 assign (resid 42 and name hg*) (resid 43 and name hn) 6.0 4.2 0.0
 assign (resid 42 and name hb1) (resid 43 and name hg2*) 4.8 3.0 0.2 

! residue  43  V
 assign (resid 43 and name hn) (resid 43 and name ha) 3.3 1.5 0.4
 assign (resid 43 and name hn) (resid 43 and name ha) 3.3 1.5 0.4
 assign (resid 43 and name hn) (resid 43 and name hg2*) 4.8 3.0 0.4
 assign (resid 43 and name ha) (resid 43 and name hb) 5.0 3.2 0.0
 assign (resid 43 and name ha) (resid 43 and name hg*) 6.2 4.4 0.2 
 assign (resid 43 and name hb) (resid 43 and name hg1*) 3.9 2.1 0.3
 assign (resid 43 and name ha) (resid 44 and name hn) 3.3 1.5 0.4
 assign (resid 43 and name hn) (resid 44 and name hn) 2.4 0.6 0.5
 assign (resid 43 and name hb) (resid 44 and name hn) 3.3 1.5 0.4
 assign (resid 43 and name hg*) (resid 44 and name hn) 7.9 6.1 0.0
 assign (resid 43 and name ha) (resid 45 and name hd*) 6.0 4.2 0.0 
 assign (resid 43 and name ha) (resid 46 and name hn) 3.3 1.5 0.4
 assign (resid 43 and name ha) (resid 46 and name hb1) 3.3 1.5 0.2
 assign (resid 43 and name ha) (resid 46 and name hb2) 3.3 1.5 0.2
 assign (resid 43 and name hg1*) (resid 47 and name hd2) 3.9 2.1 0.3
 assign (resid 43 and name hn) (resid 45 and name hd*) 6.0 4.2 0.0 

! residue  44  L
 assign (resid 44 and name hn) (resid 44 and name ha) 3.3 1.5 0.4
 assign (resid 44 and name hn) (resid 44 and name hb1) 3.9 2.1 0.4
 assign (resid 44 and name hn) (resid 44 and name hb2) 2.4 0.6 0.5
 assign (resid 44 and name hn) (resid 44 and name hg) 5.0 3.2 0.0
 assign (resid 44 and name hn) (resid 44 and name hd1*) 4.8 3.0 0.4
 assign (resid 44 and name ha) (resid 44 and name hb1) 3.9 2.1 0.2
 assign (resid 44 and name ha) (resid 44 and name hb2) 3.9 2.1 0.2
 assign (resid 44 and name ha) (resid 44 and name hg) 5.0 3.2 0.0 
 assign (resid 44 and name ha) (resid 44 and name hd1*) 4.8 3.0 0.2 
 assign (resid 44 and name ha) (resid 44 and name hd2*) 6.5 4.7 0.0 
 assign (resid 44 and name hb1) (resid 44 and name hd1*) 6.5 4.7 0.0
 assign (resid 44 and name hb1) (resid 44 and name hd2*) 4.8 3.0 0.2
 assign (resid 44 and name hn) (resid 45 and name hd*) 3.4 1.6 0.5
 assign (resid 44 and name hb1) (resid 45 and name hd1) 3.3 1.5 0.2 
 assign (resid 44 and name hb1) (resid 45 and name hd2) 3.3 1.5 0.2 
 assign (resid 44 and name hb2) (resid 45 and name hd*) 6.0 4.2 0.0
 assign (resid 44 and name ha) (resid 47 and name hd2) 4.4 2.6 0.3
 assign (resid 44 and name hd1*) (resid 51 and name hb*) 7.5 5.7 0.0
 assign (resid 44 and name hd2*) (resid 51 and name hb*) 5.8 4.0 0.2
 assign (resid 44 and name hd1*) (resid 52 and name ha) 6.5 4.7 0.0
 assign (resid 44 and name hd2*) (resid 52 and name ha) 4.8 3.0 0.2
 assign (resid 44 and name hd2*) (resid 52 and name hb*) 7.5 5.7 0.0
 assign (resid 44 and name hd2*) (resid 53 and name ha) 6.8 5.0 0.2
 assign (resid 44 and name hd2*) (resid 53 and name hb1) 6.5 4.7 0.0 
 assign (resid 44 and name hd2*) (resid 53 and name hn) 6.5 4.7 0.0
 assign (resid 44 and name hd*) (resid 55 and name hb*) 8.9 7.1 0.0
 assign (resid 44 and name hd1*) (resid 56 and name hb*) 7.5 5.7 0.0
 assign (resid 44 and name hd1*) (resid 56 and name hd1) 6.5 4.7 0.0  
 assign (resid 44 and name hd1*) (resid 48 and name hb1) 6.5 4.7 0.0 
 assign (resid 44 and name hd1*) (resid 48 and name hb2) 6.5 4.7 0.0 
 assign (resid 44 and name ha) (resid 48 and name hd2) 5.0 3.2 0.0
 assign (resid 44 and name hd1*) (resid 48 and name hd2) 3.9 2.1 0.3
 assign (resid 44 and name hd2*) (resid 48 and name hd2) 6.5 4.7 0.0
 
! residue  45  P
 assign (resid 45 and name ha) (resid 45 and name hb1) 3.3 1.5 0.2
 assign (resid 45 and name ha) (resid 45 and name hb2) 3.3 1.5 0.2
 assign (resid 45 and name hb*) (resid 45 and name hd*) 7.0 5.2 0.0
 assign (resid 45 and name ha) (resid  46 and name hn) 5.0 3.2 0.0
 assign (resid 45 and name hd*) (resid 46 and name hn) 3.4 1.6 0.5
 assign (resid 45 and name ha) (resid 48 and name hn) 3.3 1.5 0.4
 assign (resid 45 and name ha) (resid 49 and name ha) 5.0 3.2 0.0
 
! residue  46  K
 assign (resid 46 and name hn) (resid 46 and name ha) 3.3 1.5 0.4
 assign (resid 46 and name hn) (resid 46 and name hb*) 3.9 2.1 0.4
 assign (resid 46 and name hn) (resid 46 and name hg*) 4.3 2.5 0.4
 assign (resid 46 and name hn) (resid 46 and name hd*) 4.3 2.5 0.4   
 assign (resid 46 and name ha) (resid 46 and name hb2) 3.3 1.5 0.2
 assign (resid 46 and name ha) (resid 46 and name hg1) 3.3 1.5 0.2
 assign (resid 46 and name ha) (resid 46 and name hg2) 3.3 1.5 0.2
 assign (resid 46 and name hb*) (resid 46 and name hg*) 7.0 5.2 0.0 
 assign (resid 46 and name hg*) (resid 46 and name he*) 7.0 5.2 0.0
 assign (resid 46 and name ha) (resid 47 and name hn) 5.0 3.2 0.0
 assign (resid 46 and name hn) (resid 47 and name hn) 2.4 0.6 0.5
 assign (resid 46 and name hn) (resid 47 and name hd2) 3.3 1.5 0.4 
 assign (resid 46 and name hb2) (resid 47 and name hn) 5.0 3.2 0.0
 assign (resid 46 and name hb1) (resid 47 and name hn) 5.0 3.2 0.0 
 assign (resid 46 and name hb2) (resid 47 and name hd2) 3.3 1.5 0.2 
 assign (resid 46 and name hb1) (resid 47 and name hd2) 3.3 1.5 0.2 
 assign (resid 46 and name hb*) (resid 47 and name he2) 6.0 4.2 0.0 

! residue  47  Y
 assign (resid 47 and name hn) (resid 47 and name ha) 5.0 3.2 0.0
 assign (resid 47 and name hn) (resid 47 and name hb2) 3.3 1.5 0.4
 assign (resid 47 and name hn) (resid 47 and name hb1) 5.0 3.2 0.0
 assign (resid 47 and name hn) (resid 47 and name hd2) 3.3 1.5 0.4 
 assign (resid 47 and name ha) (resid 47 and name hb2) 5.0 3.2 0.0
 assign (resid 47 and name ha) (resid 47 and name hb1) 3.3 1.5 0.2 
 assign (resid 47 and name hb1) (resid 47 and name hd*) 5.3 3.5 0.2
 assign (resid 47 and name hb2) (resid 47 and name hd*) 5.3 3.5 0.2
 assign (resid 47 and name ha) (resid 48 and name hn) 5.0 3.2 0.0
 assign (resid 47 and name hn) (resid 48 and name hn) 2.4 0.6 0.5
 assign (resid 47 and name hb2) (resid 48 and name hn) 3.3 1.5 0.4
 assign (resid 47 and name hb1) (resid 48 and name hn) 5.0 3.2 0.0 
 assign (resid 47 and name hb2) (resid 48 and name hd2) 5.0 3.2 0.0
 assign (resid 47 and name hb1) (resid 48 and name hd2) 5.0 3.2 0.0 
 assign (resid 47 and name hd*) (resid 47 and name hn) 5.3 3.5 0.4
 assign (resid 47 and name hd*) (resid 47 and name ha) 4.3 2.5 0.2
 
! residue  48  F
 assign (resid 48 and name hn) (resid 48 and name ha) 5.0 3.2 0.0
 assign (resid 48 and name hn) (resid 48 and name hb2) 3.3 1.5 0.4
 assign (resid 48 and name hn) (resid 48 and name hb1) 5.0 3.2 0.0
 assign (resid 48 and name hn) (resid 47 and name hd2) 5.0 3.2 0.0
 assign (resid 48 and name hn) (resid 48 and name hd2) 5.0 3.2 0.0
 assign (resid 48 and name ha) (resid 48 and name hb2) 5.0 3.2 0.0 
 assign (resid 48 and name ha) (resid 48 and name hb1) 3.3 1.5 0.2 
 assign (resid 48 and name ha) (resid 48 and name hd1) 3.3 1.5 0.2
 assign (resid 48 and name hb1) (resid 48 and name hd*) 5.3 3.5 0.2
 assign (resid 48 and name hb2) (resid 48 and name hd*) 5.3 3.5 0.2 
 assign (resid 48 and name ha) (resid  49  and name hn) 3.3 1.5 0.4
 assign (resid 48 and name hb1) (resid 49 and name hn) 5.0 3.2 0.0 
 assign (resid 48 and name ha) (resid 51 and name hb*) 6.0 4.2 0.0
 assign (resid 48 and name hb1) (resid 51 and name hb*) 4.3 2.5 0.2
 assign (resid 48 and name hb2) (resid 51 and name hb*) 4.3 2.5 0.2 
 
! residue  49  K
 assign (resid 49 and name hn) (resid 49 and name ha) 3.3 1.5 0.4
 assign (resid 49 and name hn) (resid 49 and name hb*) 3.9 2.1 0.4
 assign (resid 49 and name hn) (resid 49 and name hg*) 4.3 2.5 0.4 
 assign (resid 49 and name ha) (resid 49 and name hb1) 2.4 0.6 0.3 
 assign (resid 49 and name ha) (resid 49 and name hb2) 5.0 3.2 0.0 
 assign (resid 49 and name ha) (resid 49 and name hd*) 6.0 4.2 0.0
 assign (resid 49 and name hg*) (resid 49 and name ha) 4.3 2.5 0.2
 assign (resid 49 and name hg*) (resid 49 and name hb1) 3.4 1.6 0.3
 assign (resid 49 and name hg*) (resid 49 and name hb2) 4.3 2.5 0.2 
 assign (resid 49 and name hg*) (resid 49 and name hd*) 4.4 2.6 0.3
 assign (resid 49 and name ha) (resid 50 and name hn) 3.3 1.5 0.4
 assign (resid 49 and name hn) (resid 50 and name hn) 5.0 3.2 0.0
 assign (resid 49 and name hb1) (resid 50 and name hn) 3.3 1.5 0.4 
 assign (resid 49 and name hb2) (resid 50 and name hn) 5.0 3.2 0.0 
 assign (resid 49 and name hg*) (resid 50 and name hn) 6.0 4.2 0.0 
 assign (resid 49 and name ha) (resid 51 and name hn) 5.0 3.2 0.0
 
! residue  50  H
 assign (resid 50 and name hn) (resid 50 and name ha) 3.3 1.5 0.4
 assign (resid 50 and name hn) (resid 50 and name hb2) 3.3 1.5 0.4
 assign (resid 50 and name hn) (resid 50 and name hb1) 5.0 3.2 0.0 
 assign (resid 50 and name ha) (resid 50 and name hb1) 2.4 0.6 0.2
 assign (resid 50 and name hn) (resid 51 and name hn) 3.3 1.5 0.4

! residue  51  S
 assign (resid 51 and name ha) (resid 51 and name hb*) 3.4 1.6 0.3
 assign (resid 51 and name hn) (resid 51 and name hb*) 3.0 1.2 0.5
 assign (resid 51 and name ha) (resid 52 and name hn) 3.3 1.5 0.4
 assign (resid 51 and name hb*) (resid 52 and name hn) 4.3 2.5 0.4

! residue  52  N
 assign (resid 52 and name ha) (resid 52 and name hb*) 4.3 2.5 0.2
 assign (resid 52 and name hd21) (resid 52 and name hb*) 4.3 1.6 0.3
 assign (resid 52 and name hd22) (resid 52 and name hb*) 4.3 2.5 0.2 

 assign (resid 52 and name ha) (resid 53 and name hn) 2.4 0.6 0.5
 assign (resid 52 and name hb*) (resid 53 and name hn) 4.3 2.5 0.4
 assign (resid 52 and name ha) (resid 55 and name hn) 5.0 3.2 0.0 
 
! residue  53  F
 assign (resid 53 and name ha) (resid 53 and name hn) 3.3 1.5 0.4
 assign (resid 53 and name hb*) (resid 53 and name hn) 3.9 2.1 0.4
 assign (resid 53 and name hd*) (resid 53 and name hn) 5.3 3.5 0.4
 assign (resid 53 and name ha) (resid 53 and name hb1) 5.0 3.2 0.4 
 assign (resid 53 and name ha) (resid 53 and name hd*) 5.3 3.5 0.2
 assign (resid 53 and name hb1) (resid 53 and name hd*) 5.3 3.5 0.2
 assign (resid 53 and name hb2) (resid 53 and name hd*) 5.3 3.5 0.2 

 assign (resid 53 and name ha) (resid 54 and name hn) 3.3 1.5 0.4
 assign (resid 53 and name hn) (resid 54 and name hn) 3.3 1.5 0.4
 assign (resid 53 and name hb2) (resid 54 and name hn) 3.3 1.5 0.4
 assign (resid 53 and name hb1) (resid 54 and name hn) 5.0 3.2 0.0
 assign (resid 53 and name hd*) (resid 54 and name hn) 7.0 5.2 0.0
 
! residue  54  A
 assign (resid 54 and name ha) (resid 54 and name hn) 3.3 1.5 0.4
 assign (resid 54 and name hb*) (resid 54 and name hn) 4.8 3.0 0.4
 assign (resid 54 and name hn) (resid 55 and name hn) 3.3 1.5 0.4 
 assign (resid 54 and name hb*) (resid 55 and name hn) 4.8 3.0 0.4
 assign (resid 54 and name ha) (resid 57 and name hn) 3.3 1.5 0.4
 assign (resid 54 and name ha) (resid 57 and name hb) 3.3 1.5 0.2
 assign (resid 54 and name ha) (resid 57 and name hg1*) 6.5 4.7 0.0 
 assign (resid 54 and name ha) (resid 57 and name hg2*) 4.8 3.0 0.2
 
! residue  55  S
 assign (resid 55 and name hn) (resid 56 and name hn) 3.3 1.5 0.4
 assign (resid 55 and name hb*) (resid 56 and name hn) 4.3 2.5 0.4

! assign (resid 55 and name ha) (resid 57 and name hn) cx556
 assign (resid 55 and name ha) (resid 58 and name hn) 3.3 1.5 0.4
 assign (resid 55 and name ha) (resid 58 and name hb*) 4.3 2.5 0.2 
 assign (resid 55 and name ha) (resid 55 and name hb*) 6.0 4.2 0.0
 
! residue  56  F
 assign (resid 56 and name ha) (resid 56 and name hn) 3.3 1.5 0.4
 assign (resid 56 and name hb*) (resid 56 and name hn) 3.9 2.1 0.4
 assign (resid 56 and name hd*) (resid 56 and name hn) 5.3 3.5 0.4
 assign (resid 56 and name ha) (resid 56 and name hd2) 3.3 1.5 0.2
 assign (resid 56 and name hb1) (resid 56 and name hd*) 5.3 3.5 0.2
 assign (resid 56 and name hb2) (resid 56 and name hd*) 5.3 3.5 0.2 
 assign (resid 56 and name ha) (resid 57 and name hn) 5.0 3.2 0.0
 assign (resid 56 and name hn) (resid 57 and name hn) 3.3 1.5 0.4
 assign (resid 56 and name hb*) (resid 57 and name hn) 4.3 2.5 0.4
 assign (resid 56 and name hd2) (resid 57 and name hn) 5.0 3.2 0.0 
 assign (resid 56 and name ha) (resid 59 and name hn) 5.0 3.2 0.0
 assign (resid 56 and name ha) (resid 59 and name hb1) 5.0 3.2 0.0 
 assign (resid 56 and name ha) (resid 60 and name hn) 5.0 3.2 0.0 
 assign (resid 56 and name he2) (resid 60 and name hd1*) 4.8 3.0 0.2
 assign (resid 56 and name he2) (resid 60 and name hd2*) 6.5 4.7 0.0 
 assign (resid 56 and name hz) (resid 60 and name hd1*) 6.5 4.7 0.0
 assign (resid 56 and name hz) (resid 60 and name hd2*) 4.8 3.0 0.2 

! residue  57  V
 assign (resid 57 and name ha) (resid 57 and name hn) 3.3 1.5 0.4
 assign (resid 57 and name hb) (resid 57 and name hn) 2.4 0.6 0.5
 assign (resid 57 and name hg1*) (resid 57 and name hn) 4.8 3.0 0.4
 assign (resid 57 and name hg2*) (resid 57 and name hn) 3.9 2.1 0.4
 assign (resid 57 and name ha) (resid 57 and name hg1*) 3.5 1.7 0.3
 assign (resid 57 and name ha) (resid 57 and name hg2*) 3.5 1.7 0.3 
 assign (resid 57 and name ha) (resid 58 and name hn) 5.0 3.2 0.0
 assign (resid 57 and name hn) (resid 58 and name hn) 3.3 1.5 0.4
 assign (resid 57 and name hg1*) (resid 58 and name hn) 4.8 3.0 0.4 
 assign (resid 57 and name hg2*) (resid 58 and name hn) 6.5 4.7 0.0
 assign (resid 57 and name ha) (resid 60 and name hn) 3.3 1.5 0.4
 assign (resid 57 and name ha) (resid 60 and name hd1*) 3.9 2.1 0.3 
 assign (resid 57 and name hg1*) (resid 60 and name hd1*) 7.5 5.7 0.0 
 assign (resid 57 and name hg2*) (resid 60 and name hd1*) 5.8 4.0 0.2 
 assign (resid 57 and name hg1*) (resid 61 and name hd22) 6.5 4.7 0.0
 assign (resid 57 and name hg1*) (resid 61 and name hd21) 6.5 4.7 0.0
 assign (resid 57 and name hg1*) (resid 84 and name hz3) 4.8 3.0 0.2
 assign (resid 57 and name hg2*) (resid 84 and name hz3) 6.5 4.7 0.0 
 assign (resid 57 and name hg1*) (resid 86 and name he*) 6.8 5.0 0.2 
 assign (resid 57 and name hg2*) (resid 86 and name he*) 6.8 5.0 0.2
 assign (resid 57 and name hg2*) (resid 86 and name hd*) 8.5 6.7 0.0

! residue  58  R
 assign (resid 58 and name hn) (resid 58 and name hb*) 3.9 2.1 0.4
 assign (resid 58 and name ha) (resid 58 and name hb*) 3.4 1.6 0.3
 assign (resid 58 and name ha) (resid 59 and name hn) 5.0 3.2 0.0
 assign (resid 58 and name hn) (resid 59 and name hn) 3.3 1.5 0.4
 assign (resid 58 and name hb*) (resid 59 and name hn) 4.3 2.5 0.4
 assign (resid 58 and name ha) (resid 61 and name hn) 3.3 1.5 0.4
 assign (resid 58 and name ha) (resid 61 and name hb*) 3.4 1.6 0.3 
 assign (resid 58 and name ha) (resid 62 and name hn) 5.0 3.2 0.0 
 
! residue  59  Q
 assign (resid 59 and name ha) (resid 59 and name hn) 3.3 1.5 0.4
 assign (resid 59 and name hb*) (resid 59 and name hn) 3.9 2.1 0.4
 assign (resid 59 and name hg*) (resid 59 and name hn) 4.3 2.5 0.4
 assign (resid 59 and name ha) (resid 59 and name hb1) 3.3 1.5 0.2
 assign (resid 59 and name ha) (resid 59 and name hg*) 3.9 2.1 0.2
 assign (resid 59 and name he2*) (resid 59 and name hg*) 6.0 4.2 0.0 
 assign (resid 59 and name hn) (resid 60 and name hn) 3.3 1.5 0.4
 assign (resid 59 and name hb2) (resid 60 and name hn) 3.3 1.5 0.4
 assign (resid 59 and name hb1) (resid 60 and name hn) 3.3 1.5 0.4
 assign (resid 59 and name hg*) (resid 60 and name hn) 6.0 4.2 0.0 
 assign (resid 59 and name ha) (resid 62 and name hn) 3.3 1.5 0.4
 assign (resid 59 and name ha) (resid 62 and name hb1) 5.0 3.2 0.0
 assign (resid 59 and name ha) (resid 62 and name hb2) 5.0 3.2 0.0 
 assign (resid 59 and name ha) (resid 63 and name hd*) 5.3 3.5 0.2
 assign (resid 59 and name hb1) (resid 63 and name he*) 5.3 3.5 0.2
 
! residue  60  L
 assign (resid 60 and name ha) (resid 60 and name hn) 3.3 1.5 0.4
 assign (resid 60 and name hb2) (resid 60 and name hn) 2.4 0.6 0.5
 assign (resid 60 and name hb1) (resid 60 and name hn) 3.3 1.5 0.4
 assign (resid 60 and name hd1*) (resid 60 and name hn) 6.5 4.7 0.0
 assign (resid 60 and name hd2*) (resid 60 and name hn) 6.5 4.7 0.0
 assign (resid 60 and name ha) (resid 60 and name hd1*) 6.5 4.7 0.0
 assign (resid 60 and name ha) (resid 60 and name hd2*) 3.9 2.1 0.3  
 assign (resid 60 and name ha) (resid 60 and name hb1) 3.3 1.5 0.2
 assign (resid 60 and name ha) (resid 60 and name hb2) 3.3 1.5 0.2 
 assign (resid 60 and name hb1) (resid 60 and name hg) 5.0 3.2 0.0
 assign (resid 60 and name hb2) (resid 60 and name hg) 5.0 3.2 0.0
 assign (resid 60 and name hd1*) (resid 60 and name hb1) 4.8 3.0 0.2
 assign (resid 60 and name hd2*) (resid 60 and name hb1) 4.8 3.0 0.2  
 assign (resid 60 and name hd1*) (resid 60 and name hb2) 4.8 3.0 0.2
 assign (resid 60 and name hd2*) (resid 60 and name hb2) 6.5 4.7 0.0 
 assign (resid 60 and name ha) (resid 61 and name hn) 5.0 3.2 0.0
 assign (resid 60 and name hn) (resid 61 and name hn) 3.3 1.5 0.4
 assign (resid 60 and name hb1) (resid 61 and name hn) 3.3 1.5 0.4
 assign (resid 60 and name hb2) (resid 61 and name hn) 3.3 1.5 0.4 
 assign (resid 60 and name ha) (resid 63 and name hn) 5.0 3.2 0.0
 assign (resid 60 and name ha) (resid 63 and name hd1) 3.3 1.5 0.2
 assign (resid 60 and name hb1) (resid 65 and name hb2) 5.0 3.2 0.0
 assign (resid 60 and name hb2) (resid 65 and name hb2) 3.3 1.5 0.2
 assign (resid 60 and name hb2) (resid 65 and name hb1) 5.0 3.2 0.0
 assign (resid 60 and name hd2*) (resid 65 and name hb2) 6.5 4.7 0.0
 assign (resid 60 and name hd2*) (resid 65 and name hb1) 6.5 4.7 0.0 
 assign (resid 60 and name hd1*) (resid 86 and name hd*) 6.8 5.0 0.2
 assign (resid 60 and name hd2*) (resid 86 and name hd*) 8.5 6.7 0.0 
 
! residue  61  N
 assign (resid 61 and name ha) (resid 61 and name hn) 3.3 1.5 0.4
 assign (resid 61 and name hb*) (resid 61 and name hn) 3.9 2.1 0.4
 assign (resid 61 and name ha) (resid 61 and name hb*) 4.3 2.5 0.2
 assign (resid 61 and name hd22) (resid 61 and name ha) 5.0 3.2 0.0
 assign (resid 61 and name hd21) (resid 61 and name ha) 3.3 1.5 0.2
 assign (resid 61 and name hd21) (resid 61 and name hb*) 5.3 3.5 0.2
 assign (resid 61 and name ha) (resid 62 and name hn) 5.0 3.2 0.0
 assign (resid 61 and name hn) (resid 62 and name hn) 3.3 1.5 0.4
 assign (resid 61 and name hb*) (resid 62 and name hn) 4.3 2.5 0.4
 assign (resid 61 and name ha) (resid 64 and name hn) 5.0 3.2 0.0
 
! residue  62  M
 assign (resid 62 and name ha) (resid 62 and name hn) 3.3 1.5 0.4
 assign (resid 62 and name hb*) (resid 62 and name hn) 3.9 2.1 0.4
 assign (resid 62 and name hg*) (resid 62 and name hn) 4.3 2.5 0.4
 assign (resid 62 and name ha) (resid 62 and name hb*) 4.3 2.5 0.2
 assign (resid 62 and name ha) (resid 62 and name hg*) 4.3 2.5 0.2
 assign (resid 62 and name hn) (resid 63 and name hn) 2.4 0.6 0.5
 assign (resid  62  and name ha) (resid 64 and name hn) 5.0 3.2 0.0

! residue  63  Y
 assign (resid 63 and name ha) (resid 63 and name hn) 5.0 3.2 0.0
 assign (resid 63 and name hb2) (resid 63 and name hn) 3.3 1.5 0.4
 assign (resid 63 and name ha) (resid 63 and name hn) 5.0 3.2 0.0
 assign (resid 63 and name hd*) (resid 63 and name hb2) 5.3 3.5 0.2
 assign (resid 63 and name ha) (resid 63 and name hb1) 3.3 1.5 0.2 
 assign (resid 63 and name hb2) (resid 63 and name hd*) 5.3 3.5 0.2
 assign (resid 63 and name hn) (resid 63 and name hd1) 3.3 1.5 0.4
 assign (resid 63 and name ha) (resid 64 and name hn) 5.0 3.2 0.0
 assign (resid 63 and name hn) (resid 64 and name hn) 3.3 1.5 0.4
 assign (resid 63 and name hd2) (resid 63 and name ha) 3.3 1.5 0.2

! residue  64  G
 assign (resid 64 and name ha*) (resid 65 and name hn) 5.0 3.2 0.0
 assign (resid 64 and name hn) (resid 65 and name hn) 3.3 1.5 0.4

! residue  65  W
 assign (resid 65 and name ha) (resid 65 and name hn) 5.0 3.2 0.0 
 assign (resid 65 and name hb1) (resid 65 and name hn) 5.0 3.2 0.0 
 assign (resid 65 and name hb2) (resid 65 and name hn) 3.3 1.5 0.4
 assign (resid 65 and name hn) (resid 65 and name hd1) 5.0 3.2 0.0 
 assign (resid 65 and name ha) (resid  66 and name hn) 2.4 0.6 0.5
 assign (resid 65 and name hb1) (resid 66 and name hn) 5.0 3.2 0.0 
 assign (resid 65 and name hd1) (resid 65 and name hn) 5.0 3.2 0.0
 assign (resid 65 and name hb1) (resid 65 and name hd1) 5.0 3.2 0.0 
 assign (resid 65 and name hb2) (resid 65 and name hd1) 5.0 3.2 0.0 
 assign (resid 65 and name ha) (resid 88 and name ha) 3.3 1.5 0.2
 assign (resid 65 and name ha) (resid 89 and name hn) 5.0 3.2 0.0

! residue  66  H
 assign (resid 66 and name ha) (resid 66 and name hn) 3.3 1.5 0.4 
 assign (resid 66 and name hb1) (resid 66 and name hn) 5.0 3.2 0.0 
 assign (resid 66 and name hb2) (resid 66 and name hn) 3.3 1.5 0.4 
 assign (resid 66 and name ha) (resid 66 and name hb2) 5.0 3.2 0.0 
 assign (resid 66 and name ha) (resid 66 and name hb1) 2.4 0.6 0.3 
 assign (resid 66 and name ha) (resid 67 and name hn) 2.4 0.6 0.5
 assign (resid 66 and name hb*) (resid 67 and name hn) 4.3 2.5 0.4
 assign (resid 66 and name hn) (resid 87 and name hn) 5.0 3.2 0.0
 assign (resid 66 and name hn) (resid 88 and name ha) 5.0 3.2 0.0
 
! residue  67  K
 assign (resid 67 and name ha) (resid 67 and name hn) 3.3 1.5 0.4
 assign (resid 67 and name hb*) (resid 67 and name hn) 3.9 2.1 0.4
 assign (resid 67 and name ha) (resid 67 and name hb*) 4.3 2.5 0.2
 assign (resid 67 and name ha) (resid 68 and name hn) 3.3 1.5 0.4 
 assign (resid 67 and name ha) (resid 87 and name hn) 5.0 3.2 0.0
 assign (resid 67 and name ha) (resid 86 and name ha) 3.3 1.5 0.2
 assign (resid 67 and name ha) (resid 86 and name hd*) 5.3 3.5 0.2
 assign (resid 67 and name hn) (resid 86 and name hd*) 7.0 5.2 0.0
 
! residue  68  V
 assign (resid 68 and name ha) (resid 68 and name hn) 3.3 1.5 0.4
 assign (resid 68 and name hg*) (resid 68 and name hn) 5.3 3.5 0.5
 assign (resid 68 and name ha) (resid 69 and name hn) 2.4 0.6 0.5
 assign (resid 68 and name hn) (resid 69 and name hn) 5.0 3.2 0.0
 assign (resid 68 and name hg*) (resid 69 and name ha) 6.2 4.4 0.2 
 assign (resid 68 and name hg*) (resid 69 and name hn) 5.3 3.5 0.5
 assign (resid 68 and name hn) (resid 86 and name ha) 5.0 3.2 0.0
 assign (resid 68 and name hg*) (resid 87 and name hn) 6.2 4.4 0.4
 
! residue  69  Q
 assign (resid 69 and name ha) (resid 69 and name hn) 3.3 1.5 0.4 
 assign (resid 69 and name hn) (resid 69 and name hb*) 3.9 2.1 0.4
 assign (resid 69 and name hn) (resid 69 and name hg*) 4.3 2.5 0.4
 assign (resid 69 and name ha) (resid 69 and name hb*) 3.9 2.1 0.2
 assign (resid 69 and name hb*) (resid 69 and name hg*) 5.3 3.5 0.2
 assign (resid 69 and name he2*) (resid 69 and name hg1*) 5.3 3.5 0.2 
 assign (resid 69 and name ha) (resid 70 and name hn) 3.3 1.5 0.4
 assign (resid 69 and name hn) (resid 70 and name hn) 3.3 1.5 0.4 

! residue  70  D
 assign (resid 70 and name hn) (resid 70 and name hb*) 3.9 2.1 0.4
 assign (resid 70 and name ha) (resid 71 and name hn) 3.3 1.5 0.4
 assign (resid 70 and name hn) (resid 71 and name hn) 5.0 3.2 0.0

! residue  71  V
 assign (resid 71 and name ha) (resid 71 and name hb) 3.3 1.5 0.2 
 assign (resid 71 and name ha) (resid 71 and name hn) 3.3 1.5 0.4 
 assign (resid 71 and name hb) (resid 71 and name hn) 5.0 3.2 0.0 
 assign (resid 71 and name hn ) (resid 71 and name hg1*) 4.8 3.0 0.4
 assign (resid 71 and name ha) (resid 72 and name hn) 3.3 1.5 0.4
 assign (resid 71 and name hb) (resid 72 and name hn) 5.0 3.2 0.0
 
! residue  72  K
 assign (resid 72 and name ha) (resid 72 and name hn) 3.3 1.5 0.4
 assign (resid 72 and name hn) (resid 72 and name hb*) 3.9 2.1 0.4
 assign (resid 72 and name ha) (resid 72 and name hb*) 3.9 2.1 0.2
 assign (resid 72 and name hg*) (resid 72 and name hd*) 5.3 3.5 0.2
 assign (resid 72 and name ha) (resid 73 and name hn) 3.3 1.5 0.4
 assign (resid 72 and name hb*) (resid 73 and name hn) 6.0 4.2 0.0

! residue  73  S
 assign (resid 73 and name ha) (resid 73 and name hb*) 3.9 2.1 0.2
 assign (resid 73 and name ha) (resid 74 and name hn) 3.3 1.5 0.4
 assign (resid 73 and name hn) (resid 74 and name hn) 3.3 1.5 0.4

! residue  74  G
 assign (resid 74 and name hn) (resid 75 and name hn) 3.3 1.5 0.4

! residue  75  S
 assign (resid 75 and name ha) (resid 76 and name hn) 3.3 1.5 0.4 
 assign (resid 75 and name hn) (resid 76 and name hn) 3.3 1.5 0.4
 assign (resid 75 and name hb*) (resid 76 and name hn) 6.0 4.2 0.0

! residue  76  M

 assign (resid 76 and name ha) (resid 76 and name hb*) 3.9 2.1 0.2
 assign (resid 76 and name ha) (resid 76 and name hg*) 4.3 2.5 0.2
 assign (resid 76 and name hn) (resid 76 and name hb*) 3.9 2.1 0.4
 assign (resid 76 and name ha) (resid 77 and name hn) 3.3 1.5 0.4
 assign (resid 76 and name hn) (resid 77 and name hn) 3.3 1.5 0.4

! residue  77  L
 assign (resid 77 and name ha) (resid 77 and name hb*) 3.9 2.1 0.2
 assign (resid 77 and name ha) (resid 77 and name hg) 3.3 1.5 0.2
 assign (resid 77 and name ha) (resid 77 and name hd*) 5.8 4.0 0.2 
 assign (resid 77 and name hb*) (resid 77 and name hd*) 7.2 5.4 0.2 
 assign (resid 77 and name hb*) (resid 77 and name hd*) 7.2 5.4 0.2
 assign (resid 77 and name ha) (resid  78 and name hn) 3.3 1.5 0.4
 assign (resid 77 and name hb*) (resid 78 and name hn) 4.3 2.5 0.4
 assign (resid 77 and name hd*) (resid 78 and name hn) 6.2 4.4 0.4

! residue  78  S
 assign (resid 78 and name ha) (resid 79 and name hn) 3.3 1.5 0.4
 assign (resid 78 and name hn) (resid 79 and name hn) 3.3 1.5 0.4
 assign (resid 78 and name hb*) (resid 79 and name hn) 6.0 4.2 0.0

! residue  79  N
 
! residue  80  N
 assign (resid 80 and name ha) (resid 81 and name hn) 3.3 1.5 0.4

! residue  81  D

! residue  82  S
 assign (resid 82 and name ha) (resid 82 and name hb*) 3.4 1.6 0.3 
 assign (resid 82 and name ha) (resid 83 and name hn) 3.3 1.5 0.4
 assign (resid 82 and name hn) (resid  83 and name hn) 3.3 1.5 0.4
 assign (resid 82 and name hb*) (resid 83 and name hn) 4.3 2.5 0.4 
 assign (resid 82 and name hb*) (resid 84 and name he1) 6.0 4.2 0.0

! residue  83  R
 assign (resid 83 and name ha) (resid 83 and name hn) 3.3 1.5 0.4   
 assign (resid 83 and name hb*) (resid 83 and name hn) 3.9 2.1 0.4  
 assign (resid 83 and name hg*) (resid 83 and name hn) 4.3 2.5 0.4   
 assign (resid 83 and name ha) (resid 83 and name hb*) 4.3 2.5 0.2   
 assign (resid 83 and name ha) (resid 84 and name hn) 3.3 1.5 0.4
 assign (resid 83 and name hb*) (resid 83 and name hd*) 5.3 3.5 0.2
 assign (resid 83 and name hb*) (resid 84 and name hn) 4.3 2.5 0.4

! residue  84  W
 assign (resid 84 and name ha) (resid 84 and name hn) 3.3 1.5 0.4
 assign (resid 84 and name hb*) (resid 84 and name hn) 3.9 2.1 0.4
 assign (resid 84 and name hb*) (resid 84 and name he3) 4.3 2.5 0.2 
 assign (resid 84 and name ha) (resid 85 and name hn) 2.4 0.6 0.5
 assign (resid 84 and name hb*) (resid 85 and name hn) 4.3 2.5 0.4
 assign (resid 84 and name he3) (resid 86 and name he*) 7.0 5.2 0.0
 assign (resid 84 and name hd1) (resid 84 and name hn) 3.3 1.5 0.4
 assign (resid 84 and name hd1) (resid 84 and name ha) 3.3 1.5 0.2
 assign (resid 84 and name hd1) (resid 84 and name hb*) 4.3 2.5 0.2

! residue  85  E
 assign (resid 85 and name ha) (resid 85 and name hn) 3.3 1.5 0.4
 assign (resid 85 and name hb*) (resid 85 and name hn) 3.9 2.1 0.4
 assign (resid 85 and name ha) (resid 85 and name hb*) 4.3 2.5 0.2
 assign (resid 85 and name ha) (resid 85 and name hg*) 4.3 2.5 0.2
 assign (resid 85 and name hb1) (resid 85 and name hg*) 4.3 2.5 0.2
 assign (resid 85 and name hb2) (resid 85 and name hg*) 4.3 2.5 0.2 
 assign (resid 85 and name ha) (resid 86 and name hn) 2.4 0.6 0.5
 assign (resid 85 and name hb*) (resid 86 and name hn) 6.0 4.2 0.0

! residue  86  F
 assign (resid 86 and name ha) (resid 86 and name hn) 3.3 1.5 0.4
 assign (resid 86 and name hb2) (resid 86 and name hn) 3.3 1.5 0.4
 assign (resid 86 and name hb1) (resid 86 and name hn) 5.0 3.2 0.0
 assign (resid 86 and name hn) (resid 86 and name hd*) 5.3 3.5 0.4
 assign (resid 86 and name ha) (resid 86 and name hb1) 3.3 1.5 0.2 
 assign (resid 86 and name ha) (resid 86 and name hd*) 4.3 2.5 0.2
 assign (resid 86 and name hb2) (resid 86 and name hd*) 5.3 3.5 0.2 
 assign (resid 86 and name hb1) (resid 86 and name hd*) 5.3 3.5 0.2
 assign (resid 86 and name ha) (resid 87 and name hn) 2.4 0.6 0.5
 assign (resid 86 and name hb1) (resid 87 and name hn) 5.0 3.2 0.0 
 assign (resid 86 and name hd*) (resid 87 and name hn) 7.0 5.2 0.0 

! residue  87  E
 assign (resid 87 and name ha) (resid 87 and name hb*) 4.3 2.5 0.2
 assign (resid 87 and name hn) (resid 87 and name hb*) 3.9 2.1 0.4
 assign (resid 87 and name hn) (resid 87 and name hg*) 6.0 4.2 0.0
 assign (resid 87 and name ha) (resid 88 and name hn) 2.4 0.6 0.5
 assign (resid 87 and name hb*) (resid 88 and name hn) 6.0 4.2 0.0
 assign (resid 87 and name hg*) (resid 88 and name hn) 6.0 4.2 0.0

! residue  88  N
  assign (resid 88 and name ha) (resid 88 and name hn) 5.0 3.2 0.0
  assign (resid 88 and name hb*) (resid 88 and name hn) 3.9 2.1 0.4
  assign (resid 88 and name ha) (resid 89 and name hb*) 6.0 4.2 0.0

! residue  89  E
 assign (resid 89 and name ha) (resid 89 and name hn) 3.3 1.5 0.4
 assign (resid 89 and name hb*) (resid 89 and name hn) 5.6 3.8 0.0
 assign (resid 89 and name hg*) (resid 89 and name hn) 4.3 2.5 0.4
 assign (resid 89 and name hb*) (resid 89 and name hg*) 5.3 3.5 0.2

 assign (resid 89 and name ha) (resid 90 and name hn) 3.3 1.5 0.4
 assign (resid 89 and name hn) (resid 90 and name hn) 3.3 1.5 0.4
 assign (resid 89 and name hb*) (resid 90 and name hn) 6.0 4.2 0.0

! residue  90  R
 assign (resid 90 and name ha) (resid 91 and name hn) 3.3 1.5 0.4
 assign (resid 90 and name hb*) (resid 91 and name hn) 3.9 2.1 0.4
 assign (resid 90 and name hb*) (resid 91 and name hn) 4.3 2.5 0.4

! residue  91  H
 assign (resid 91 and name hn) (resid 91 and name hb*) 3.9 2.1 0.4
 assign (resid 91 and name ha) (resid 91 and name hb*) 4.3 2.5 0.2
 assign (resid 91 and name ha) (resid 92 and name hn) 3.3 1.5 0.4

! residue  92  A
  assign (resid 92 and name ha) (resid 92 and name hb*) 4.8 3.0 0.2

!Hydrogen bond constraints
  assign (resid 7 and name hn) (resid 3 and name o) 2.1 0.3 0.2
  assign (resid 7 and name n) (resid 3 and name o) 3.1 0.3 0.2 
  assign (resid 8 and name hn) (resid 4 and name o) 2.1 0.3 0.2
  assign (resid 8 and name n) (resid 4 and name o) 3.1 0.3 0.2
  assign (resid 9 and name hn) (resid 5 and name o) 2.1 0.3 0.2
  assign (resid 9 and name n) (resid 5 and name o) 3.1 0.3 0.2
  assign (resid 13 and name hn) (resid 9 and name o) 2.1 0.3 0.2
  assign (resid 13 and name n) (resid 9 and name o) 3.1 0.3 0.2
  assign (resid 21 and name hn) (resid 18 and name o) 2.1 0.3 0.2
  assign (resid 21 and name n) (resid 18 and name o) 3.1 0.3 0.2
  assign (resid 25 and name hn) (resid 30 and name o) 2.1 0.3 0.2
  assign (resid 25 and name n) (resid 30 and name o) 3.1 0.3 0.2
  assign (resid 31 and name hn) (resid 86 and name o) 2.1 0.3 0.2
  assign (resid 31 and name n) (resid 86 and name o) 3.1 0.3 0.2
  assign (resid 32 and name hn) (resid 23 and name o) 2.1 0.3 0.2
  assign (resid 32 and name n) (resid 23 and name o) 3.1 0.3 0.2
  assign (resid 33 and name hn) (resid 84 and name o) 2.1 0.3 0.2
  assign (resid 33 and name n) (resid 84 and name o) 3.1 0.3 0.2 
  assign (resid 39 and name hn) (resid 35 and name o) 2.1 0.3 0.2
  assign (resid 39 and name n) (resid 35 and name o) 3.1 0.3 0.2
  assign (resid 42 and name hn) (resid 38 and name o) 2.1 0.3 0.2
  assign (resid 42 and name n) (resid 38 and name o) 3.1  0.3 0.2
  assign (resid 44 and name hn) (resid 40 and name o) 2.1 0.3 0.2
  assign (resid 44 and name n) (resid 40 and name o) 3.1 0.3 0.2
  assign (resid 48 and name hn) (resid 44 and name o) 2.1 0.3 0.2
  assign (resid 48 and name n) (resid 44 and name o) 3.1 0.3 0.2
  assign (resid 55 and name hn) (resid 52 and name o) 2.1 0.3 0.2
  assign (resid 55 and name n) (resid 52 and name o) 3.1 0.3 0.2
  assign (resid 56 and name hn) (resid 52 and name o) 2.1 0.3 0.2 
  assign (resid 56 and name n) (resid 52 and name o) 3.1 0.3 0.2 
  assign (resid 57 and name hn) (resid 53 and name o) 2.1 0.3 0.2
  assign (resid 57 and name n) (resid 53 and name o) 3.1 0.3 0.2
  assign (resid 58 and name hn) (resid 54 and name o) 2.1 0.3 0.2
  assign (resid 58 and name n) (resid 54 and name o) 3.1 0.3 0.2
  assign (resid 59 and name hn) (resid 55 and name o) 2.1 0.3 0.2
  assign (resid 59 and name n) (resid 55 and name o) 3.1 0.3 0.2
  assign (resid 60 and name hn) (resid 56 and name o) 2.1 0.3 0.2
  assign (resid 60 and name n) (resid 56 and name o) 3.1 0.3 0.2
  assign (resid 61 and name hn) (resid 57 and name o) 2.1 0.3 0.2
  assign (resid 61 and name n) (resid 57 and name o) 3.1 0.3 0.2
  assign (resid 62 and name hn) (resid 58 and name o) 2.1 0.3 0.2
  assign (resid 62 and name n) (resid 58 and name o) 3.1 0.3 0.2
  assign (resid 66 and name hn) (resid 87 and name o) 2.1 0.3 0.2
  assign (resid 66 and name n) (resid 87 and name o) 3.1 0.3 0.2

 
restraints dihedral reset

! Torsion psi constraints
!!      residue 4  A
   assign (resid 3 and name c) (resid 4 and name n)
          (resid 4 and name ca) (resid 4 and name c) 1.0 -60.0 30.0 2 

!!      residue 12  M
   assign (resid 11 and name c) (resid 12 and name n)
          (resid 12 and name ca) (resid 12 and name c) 1.0 -60.0 30.0 2 

!!      residue 13  V
   assign (resid 12 and name c) (resid 13 and name n)
          (resid 13 and name ca) (resid 13 and name c) 1.0 -60.0 30.0 2

!!      residue 14  N
   assign (resid 13 and name c) (resid 14 and name n)
          (resid 14 and name ca) (resid 14 and name c) 1.0 -60.0 30.0 2  

!!      residue 16  K
   assign (resid 15 and name c) (resid 16 and name n)
          (resid 16 and name ca) (resid 16 and name c) 1.0 -60.0 30.0 2 

!!      residue 19  E
   assign (resid 18 and name c) (resid 19 and name n)
          (resid 19 and name ca) (resid 19 and name c) 1.0 -60.0 30.0 2 

!!      residue 21  F
   assign (resid 20 and name c) (resid 21 and name n)
          (resid 21 and name ca) (resid 21 and name c) 1.0 -120 40.0 2


!!      residue 24  W
   assign (resid 23 and name c) (resid 24 and name n)
          (resid 24 and name ca) (resid 24 and name c) 1.0 -60.0 30.0 2 

!!      residue 25  A
   assign (resid 24 and name c) (resid 25 and name n)
          (resid 25 and name ca) (resid 25 and name c) 1.0 -60.0 30.0 2     

!!      residue 31  I
   assign (resid 30 and name c) (resid 31 and name n)
          (resid 31 and name ca) (resid 31 and name c) 1.0 -120.0 40.0 2 

!!      residue 32  V
   assign (resid 31 and name c) (resid 32 and name n)
          (resid 32 and name ca) (resid 32 and name c) 1.0 -120.0 40.0 2  

!!      residue 33  V
   assign (resid 32 and name c) (resid 33 and name n)
          (resid 33 and name ca) (resid 33 and name c) 1.0 -120.0 40.0 2  

!!      residue 35  N
   assign (resid 34 and name c) (resid 35 and name n)
          (resid 35 and name ca) (resid 35 and name c) 1.0 -120.0 40.0 2  

!!      residue 36  R
   assign (resid 35 and name c) (resid 36 and name n)
          (resid 36 and name ca) (resid 36 and name c) 1.0 -60.0 30.0 2

!!      residue 37  E
   assign (resid 36 and name c) (resid 37 and name n)
          (resid 37 and name ca) (resid 37 and name c) 1.0 -60.0 30.0 2  

!!      residue 39  F
   assign (resid 38 and name c) (resid 39 and name n)
          (resid 39 and name ca) (resid 39 and name c) 1.0 -60.0 30.0 2 

!!      residue 41  Q
   assign (resid 40 and name c) (resid 41 and name n)
          (resid 41 and name ca) (resid 41 and name c) 1.0 -60.0 30.0 2   

!!      residue 43  V
   assign (resid 42 and name c) (resid 43 and name n)
          (resid 43 and name ca) (resid 43 and name c) 1.0 -120.0 40.0 2    

!!      residue 47  Y
   assign (resid 46 and name c) (resid 47 and name n)
          (resid 47 and name ca) (resid 47 and name c) 1.0 -120.0 40.0 2

!!      residue 48  F
   assign (resid 47 and name c) (resid 48 and name n)
          (resid 48 and name ca) (resid 48 and name c) 1.0 -120.0 40.0 2

!!      residue 51  S
   assign (resid 50 and name c) (resid 51 and name n)
          (resid 51 and name ca) (resid 51 and name c) 1.0 -120.0 40.0 2 

!!      residue 53  F
   assign (resid 52 and name c) (resid 53 and name n)
          (resid 53 and name ca) (resid 53 and name c) 1.0 -60.0 30.0 2 

!!      residue A  54
   assign (resid 53 and name c) (resid 54 and name n)
          (resid 54 and name ca) (resid 54 and name c) 1.0 -60.0 30.0 2   

!!      residue F  56
   assign (resid 55 and name c) (resid 56 and name n)
          (resid 56 and name ca) (resid 56 and name c) 1.0 -60.0 30.0 2 

!!      residue 57  V
   assign (resid 56 and name c) (resid 57 and name n)
          (resid 57 and name ca) (resid 57 and name c) 1.0 -60.0 30.0 2  

!!      residue 58  R
   assign (resid 57 and name c) (resid 58 and name n)
          (resid 58 and name ca) (resid 58 and name c) 1.0 -60.0 30.0 2 

!!      residue 59  Q
   assign (resid 58 and name c) (resid 59 and name n)
          (resid 59 and name ca) (resid 59 and name c) 1.0 -60.0 30.0 2 

!!      residue 60  L
   assign (resid 59 and name c) (resid 60 and name n)
          (resid 60 and name ca) (resid 60 and name c) 1.0 -60.0 30.0 2 

!!      residue 62  M
   assign (resid 61 and name c) (resid 62 and name n)
          (resid 62 and name ca) (resid 62 and name c) 1.0 -60.0 30.0 2

!!      residue 63  Y
   assign (resid 62 and name c) (resid 63 and name n)
          (resid 63 and name ca) (resid 63 and name c) 1.0 -120.0 40.0 2 

!!      residue 66  H
   assign (resid 65 and name c) (resid 66 and name n)
          (resid 66 and name ca) (resid 66 and name c) 1.0 -120.0 40.0 2 

!!      residue 73  S
   assign (resid 72 and name c) (resid 73 and name n)
          (resid 73 and name ca) (resid 73 and name c) 1.0 -60.0 30.0 2  

!!      residue 77  L
   assign (resid 76 and name c) (resid 77 and name n)
          (resid 77 and name ca) (resid 77 and name c) 1.0 -60.0 30.0 2

!!      residue 84  W
   assign (resid 83 and name c) (resid 84 and name n)
          (resid 84 and name ca) (resid 84 and name c) 1.0 -120.0 40.0 2  

!!      residue 91  H
   assign (resid 90 and name c) (resid 91 and name n)
          (resid 91 and name ca) (resid 91 and name c) 1.0 -120.0 40.0 2                                                    
!!       
!!
!! Chi 1 restraints
!!      residue 5  F
      assign (resid 5 and name n)
             (resid 5 and name ca)
             (resid 5 and name cb)
             (resid 5 and name cg) 1.0 180.0 20.0 2
!!	residue 6  V
      assign (resid 6 and name n)
             (resid 6 and name ca)
             (resid 6 and name cb)
             (resid 6 and name cg1) 1.0 180.0 20.0 2
!!      residue 7  N
       assign (resid 7 and name n)
              (resid 7 and name ca)
              (resid 7 and name cb)
              (resid 7 and name cg) 1.0 -60.0 20.0 2 
!!       residue 9  L
       assign (resid 9 and name n)
              (resid 9 and name ca)
              (resid 9 and name cb)
              (resid 9 and name cg) 1.0 180.0 20.0 2
!!       resid 9  L chi-2
       assign (resid 9 and name ca)
              (resid 9 and name cb) 
              (resid 9 and name cg)
              (resid 9 and name cd1) 1.0 60.0 20.0 2      

!       residue 21  F
      assign  (resid 21 and name n)
              (resid 21 and name ca)
              (resid 21 and name cb)
              (resid 21 and name cg) 1.0 -60.0 20.0 2

!!	residue 22  I
      assign (resid 22 and name n)
             (resid 22 and name ca)
             (resid 22 and name cb)
             (resid 22 and name cg1) 1.0 180.0 20.0 2
!!       resid 22  I chi_2
      assign (resid 22 and name ca)
             (resid 22 and name cb)
            (resid 22 and name cg1)
            (resid 22 and name cd1) 1.0 180.0 20.0 2

!!     residue 24  W
     assign (resid 24 and name n)
            (resid 24 and name ca)
            (resid 24 and name cb)
            (resid 24 and name cg) 1.0 -60.0 20.0 2

!!	residue 26  T
      assign (resid 26 and name n)
             (resid 26 and name ca)
             (resid 26 and name cb)
             (resid 26 and name og1) 1.0 -60.0 20.0 2

!!	residue 31  
      assign (resid 31 and name n)
             (resid 31 and name ca)
             (resid 31 and name cb)
             (resid 31 and name cg1) 1.0 -60.0 20.0 2
      assign (resid 31 and name ca)
             (resid 31 and name cb)
             (resid 31 and name cg1)
             (resid 31 and name cd1) 1.0 180.0 20.0 2

!!	residue 32  V
      assign (resid 32 and name n)
             (resid 32 and name ca)
             (resid 32 and name cb)
             (resid 32 and name cg1) 1.0 180.0 20.0 2

!!	residue 33  V
      assign (resid 33 and name n)
             (resid 33 and name ca)
             (resid 33 and name cb)
             (resid 33 and name cg1) 1.0 180.0 20.0 2

!!	residue 40  V
      assign (resid 40 and name n)
             (resid 40 and name ca)
             (resid 40 and name cb)
             (resid 40 and name cg1) 1.0 180.0 20.0 2

!!      residue 42  E
      assign (resid 42 and name n)
             (resid 42 and name ca)
             (resid 42 and name cb)
             (resid 42 and name cg) 1.0 -60.0 20.0 2 

!!	residue 43  V
      assign (resid 43 and name n)   ! assigned w/ overlap problems 
             (resid 43 and name ca)
             (resid 43 and name cb)
             (resid 43 and name cg1) 1.0 180.0 20.0 2

!!       residue 44  L
      assign (resid 44 and name n)
             (resid 44 and name ca)
             (resid 44 and name cb)
             (resid 44 and name cg) 1.0 180.0 20.0 2

!!       residue 44 L	(chi-2)
      assign (resid 44 and name ca)
             (resid 44 and name cb)
             (resid 44 and name cg)
             (resid 44 and name cd1) 1.0 60.0 20.0 2

!!      resid 47  Y
      assign (resid 47 and name n)
             (resid 47 and name ca)
             (resid 47 and name cb)
             (resid 47 and name cg) 1.0 -60.0 20.0 2

!!      resid 48  F
      assign (resid 48 and name n)
             (resid 48 and name ca)
             (resid 48 and name cb)
             (resid 48 and name cg) 1.0 -60.0 20.0 2

!!      resid 50  H
      assign (resid 50 and name n)
             (resid 50 and name ca)
             (resid 50 and name cb)
             (resid 50 and name cg) 1.0 -60.0 20.0 2

!!	residue 57  V
      assign (resid 57 and name n)
             (resid 57 and name ca)
             (resid 57 and name cb)
             (resid 57 and name cg1) 1.0 180.0 20.0 2

!!     resid 59  Q
     assign (resid 59 and name n)
            (resid 59 and name ca)
            (resid 59 and name cb)
           (resid 59 and name cg) 1.0 -60.0 20.0 2
!       resid 60  L
     assign (resid 60 and name n)
            (resid 60 and name ca)
            (resid 60 and name cb)
            (resid 60 and name cg) 1.0 -60.0 20.0 2
  
!       resid 60  L     (chi 2)
      assign (resid 60 and name ca)
             (resid 60 and name cb)
             (resid 60 and name cg)
            (resid 60 and name cd1) 1.0 180.0 20.0 2
  
!!      resid 63  Y
      assign (resid 63 and name n)
             (resid 63 and name ca)
             (resid 63 and name cb)
             (resid 63 and name cg) 1.0 -60.0 20.0 2

!!      resid 65  W
       assign (resid 65 and name n)
              (resid 65 and name ca)
              (resid 65 and name cb)
              (resid 65 and name cg) 1.0 -60.0 20.0 2

!!      resid 66  H
      assign (resid 66 and name n)
             (resid 66 and name ca)
             (resid 66 and name cb)  
             (resid 66 and name cg) 1.0 -60.0 20.0 2

!!      resid 86  F
      assign (resid 86 and name n)
             (resid 86 and name ca)
             (resid 86 and name cb)  
             (resid 86 and name cg) 1.0 -60.0 20.0 2

      scale=1.0
end  

  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had  756 H/Q atoms
  Start of MODEL    1
    1   1H    ALA   1          2H        ALA   1 -15.736  12.036  -3.944
    2   2H    ALA   1          1H        ALA   1 -16.987  13.181  -4.054
    3   3H    ALA   1          3H        ALA   1 -17.356  11.527  -3.986
    4    HA   ALA   1           HA       ALA   1 -16.572  11.120  -6.133
    5   1HB   ALA   1          3HB       ALA   1 -17.909  13.846  -6.119
    6   2HB   ALA   1          2HB       ALA   1 -17.812  12.759  -7.505
    7   3HB   ALA   1          1HB       ALA   1 -18.744  12.292  -6.082
    8    H    ARG   2           H        ARG   2 -14.560  11.198  -6.997
    9    HA   ARG   2           HA       ARG   2 -12.553  12.054  -7.858
   10   1HB   ARG   2          2HB       ARG   2 -13.991  14.721  -7.969
   11   2HB   ARG   2          1HB       ARG   2 -12.630  14.197  -8.958
   12   1HG   ARG   2          2HG       ARG   2 -15.041  12.463  -9.085
   13   2HG   ARG   2          1HG       ARG   2 -15.219  14.072  -9.782
   14   1HD   ARG   2          2HD       ARG   2 -13.153  13.679 -11.123
   15   2HD   ARG   2          1HD       ARG   2 -13.086  12.034 -10.486
   16    HE   ARG   2           HE       ARG   2 -15.663  12.594 -11.679
   17   1HH1  ARG   2          1HH2      ARG   2 -14.581   9.958 -12.077
   18   2HH1  ARG   2          2HH2      ARG   2 -13.941   9.995 -13.685
   19   1HH2  ARG   2          2HH1      ARG   2 -13.892  13.457 -13.873
   20   2HH2  ARG   2          1HH1      ARG   2 -13.550  11.975 -14.702
   21    HA   PRO   3           HA       PRO   3 -11.542  14.114  -3.925
   22   1HB   PRO   3          2HB       PRO   3 -10.169  12.108  -2.661
   23   2HB   PRO   3          1HB       PRO   3 -11.925  12.324  -2.526
   24   1HG   PRO   3          2HG       PRO   3 -10.397  10.286  -4.054
   25   2HG   PRO   3          1HG       PRO   3 -12.040  10.199  -3.402
   26   1HD   PRO   3          2HD       PRO   3 -11.339  10.683  -6.105
   27   2HD   PRO   3          1HD       PRO   3 -12.948  10.880  -5.385
   28    H    ALA   4           H        ALA   4  -9.346  14.656  -3.045
   29    HA   ALA   4           HA       ALA   4  -7.424  15.012  -5.162
   30   1HB   ALA   4          2HB       ALA   4  -7.670  16.593  -3.272
   31   2HB   ALA   4          1HB       ALA   4  -7.068  15.355  -2.170
   32   3HB   ALA   4          3HB       ALA   4  -6.012  16.012  -3.421
   33    H    PHE   5           H        PHE   5  -7.934  12.446  -2.868
   34    HA   PHE   5           HA       PHE   5  -5.210  11.465  -2.829
   35   1HB   PHE   5          2HB       PHE   5  -7.052  10.890  -1.158
   36   2HB   PHE   5          1HB       PHE   5  -7.694   9.802  -2.390
   37    HD1  PHE   5           HD2      PHE   5  -4.601  10.607  -0.463
   38    HD2  PHE   5           HD1      PHE   5  -6.757   7.651  -2.711
   39    HE1  PHE   5           HE2      PHE   5  -2.924   8.898   0.178
   40    HE2  PHE   5           HE1      PHE   5  -5.080   5.941  -2.070
   41    HZ   PHE   5           HZ       PHE   5  -3.162   6.564  -0.626
   42    H    VAL   6           H        VAL   6  -8.137  10.318  -4.576
   43    HA   VAL   6           HA       VAL   6  -6.663   8.422  -6.166
   44    HB   VAL   6           HB       VAL   6  -9.337   9.747  -6.737
   45   1HG1  VAL   6          3HG1      VAL   6  -8.035   7.244  -7.864
   46   2HG1  VAL   6          2HG1      VAL   6  -9.708   7.723  -8.153
   47   3HG1  VAL   6          1HG1      VAL   6  -8.387   8.727  -8.751
   48   1HG2  VAL   6          1HG2      VAL   6  -8.452   7.456  -5.038
   49   2HG2  VAL   6          3HG2      VAL   6  -9.783   8.584  -4.793
   50   3HG2  VAL   6          2HG2      VAL   6  -9.953   7.259  -5.941
   51    H    ASN   7           H        ASN   7  -7.229  11.863  -6.438
   52    HA   ASN   7           HA       ASN   7  -6.578  12.072  -9.252
   53   1HB   ASN   7          2HB       ASN   7  -6.785  14.022  -6.973
   54   2HB   ASN   7          1HB       ASN   7  -6.097  14.534  -8.514
   55   1HD2  ASN   7          2HD2      ASN   7  -9.994  13.203  -8.697
   56   2HD2  ASN   7          1HD2      ASN   7  -8.884  12.346  -7.746
   57    H    LYS   8           H        LYS   8  -4.681  12.188  -6.249
   58    HA   LYS   8           HA       LYS   8  -2.249  12.951  -7.695
   59   1HB   LYS   8          2HB       LYS   8  -1.171  13.035  -5.594
   60   2HB   LYS   8          1HB       LYS   8  -2.818  13.537  -5.236
   61   1HG   LYS   8          2HG       LYS   8  -3.045  10.852  -4.869
   62   2HG   LYS   8          1HG       LYS   8  -1.362  11.086  -4.411
   63   1HD   LYS   8          2HD       LYS   8  -3.593  12.811  -3.319
   64   2HD   LYS   8          1HD       LYS   8  -3.060  11.330  -2.521
   65   1HE   LYS   8          2HE       LYS   8  -0.849  12.192  -2.197
   66   2HE   LYS   8          1HE       LYS   8  -1.158  13.562  -3.264
   67   1HZ   LYS   8          2HZ       LYS   8  -2.625  13.066  -0.734
   68   2HZ   LYS   8          1HZ       LYS   8  -1.284  14.101  -0.864
   69   3HZ   LYS   8          3HZ       LYS   8  -2.710  14.452  -1.712
   70    H    LEU   9           H        LEU   9  -3.850  10.000  -6.786
   71    HA   LEU   9           HA       LEU   9  -1.577   8.241  -6.904
   72   1HB   LEU   9          2HB       LEU   9  -3.849   7.715  -5.902
   73   2HB   LEU   9          1HB       LEU   9  -4.453   7.540  -7.549
   74    HG   LEU   9           HG       LEU   9  -2.684   5.823  -7.963
   75   1HD1  LEU   9          2HD1      LEU   9  -2.030   6.573  -5.149
   76   2HD1  LEU   9          1HD1      LEU   9  -1.864   4.875  -5.595
   77   3HD1  LEU   9          3HD1      LEU   9  -0.952   6.109  -6.465
   78   1HD2  LEU   9          1HD2      LEU   9  -5.082   5.378  -7.062
   79   2HD2  LEU   9          3HD2      LEU   9  -3.902   4.070  -6.962
   80   3HD2  LEU   9          2HD2      LEU   9  -4.279   5.031  -5.531
   81    H    TRP  10           H        TRP  10  -3.663   9.655  -9.349
   82    HA   TRP  10           HA       TRP  10  -3.023   7.847 -11.485
   83   1HB   TRP  10          2HB       TRP  10  -3.918  10.741 -11.508
   84   2HB   TRP  10          1HB       TRP  10  -3.774   9.751 -12.960
   85    HD1  TRP  10           HD1      TRP  10  -6.360  10.875 -10.845
   86    HE1  TRP  10           HE1      TRP  10  -8.327   9.216 -10.679
   87    HE3  TRP  10           HE3      TRP  10  -4.119   6.670 -12.669
   88    HZ2  TRP  10           HZ2      TRP  10  -8.875   6.466 -11.242
   89    HZ3  TRP  10           HZ3      TRP  10  -5.382   4.546 -12.845
   90    HH2  TRP  10           HH2      TRP  10  -7.756   4.438 -12.136
   91    H    SER  11           H        SER  11  -1.048  10.164  -9.900
   92    HA   SER  11           HA       SER  11   0.717  10.395 -12.295
   93   1HB   SER  11          2HB       SER  11  -0.110  12.466 -10.967
   94   2HB   SER  11          1HB       SER  11   1.045  11.960  -9.739
   95    HG   SER  11           HG       SER  11   2.161  13.286 -11.078
   96    H    MET  12           H        MET  12   0.571   9.234  -8.977
   97    HA   MET  12           HA       MET  12   3.431   8.715  -8.765
   98   1HB   MET  12          2HB       MET  12   1.208   8.700  -7.016
   99   2HB   MET  12          1HB       MET  12   1.811   7.044  -7.022
  100   1HG   MET  12          2HG       MET  12   4.134   8.011  -6.656
  101   2HG   MET  12          1HG       MET  12   3.352   9.566  -6.376
  102   1HE   MET  12          3HE       MET  12   3.704   6.072  -5.755
  103   2HE   MET  12          2HE       MET  12   3.915   5.936  -4.013
  104   3HE   MET  12          1HE       MET  12   2.322   5.684  -4.721
  105    H    VAL  13           H        VAL  13   0.569   6.633  -9.254
  106    HA   VAL  13           HA       VAL  13   2.033   4.211  -9.632
  107    HB   VAL  13           HB       VAL  13  -0.621   4.884 -10.929
  108   1HG1  VAL  13          2HG1      VAL  13   0.904   2.652 -11.195
  109   2HG1  VAL  13          1HG1      VAL  13  -0.015   2.225  -9.754
  110   3HG1  VAL  13          3HG1      VAL  13  -0.857   2.631 -11.249
  111   1HG2  VAL  13          3HG2      VAL  13   0.032   4.038  -8.092
  112   2HG2  VAL  13          2HG2      VAL  13  -0.861   5.467  -8.604
  113   3HG2  VAL  13          1HG2      VAL  13  -1.574   3.870  -8.800
  114    H    ASN  14           H        ASN  14   1.608   6.962 -11.702
  115    HA   ASN  14           HA       ASN  14   1.844   5.726 -14.247
  116   1HB   ASN  14          2HB       ASN  14   2.343   8.451 -13.149
  117   2HB   ASN  14          1HB       ASN  14   3.067   8.073 -14.712
  118   1HD2  ASN  14          2HD2      ASN  14  -0.114   9.146 -15.954
  119   2HD2  ASN  14          1HD2      ASN  14   1.492   9.631 -15.691
  120    H    ASP  15           H        ASP  15   4.646   7.748 -13.540
  121    HA   ASP  15           HA       ASP  15   6.583   5.882 -12.783
  122   1HB   ASP  15          2HB       ASP  15   7.612   5.372 -15.087
  123   2HB   ASP  15          1HB       ASP  15   6.174   4.455 -14.652
  124    H    LYS  16           H        LYS  16   6.126   8.679 -12.564
  125    HA   LYS  16           HA       LYS  16   8.155   9.974 -14.283
  126   1HB   LYS  16          2HB       LYS  16   5.842  10.958 -13.386
  127   2HB   LYS  16          1HB       LYS  16   6.848  11.416 -12.011
  128   1HG   LYS  16          2HG       LYS  16   8.100  12.901 -13.240
  129   2HG   LYS  16          1HG       LYS  16   7.933  11.971 -14.730
  130   1HD   LYS  16          2HD       LYS  16   5.434  12.645 -14.631
  131   2HD   LYS  16          1HD       LYS  16   5.956  13.868 -13.472
  132   1HE   LYS  16          2HE       LYS  16   7.484  13.626 -16.029
  133   2HE   LYS  16          1HE       LYS  16   5.893  14.384 -16.085
  134   1HZ   LYS  16          1HZ       LYS  16   7.930  15.173 -14.094
  135   2HZ   LYS  16          3HZ       LYS  16   7.866  15.882 -15.633
  136   3HZ   LYS  16          2HZ       LYS  16   6.542  16.024 -14.579
  137    H    SER  17           H        SER  17   7.581  10.105 -10.744
  138    HA   SER  17           HA       SER  17  10.461  10.461 -10.288
  139   1HB   SER  17          2HB       SER  17   8.037  10.364  -8.489
  140   2HB   SER  17          1HB       SER  17   9.671  10.379  -7.833
  141    HG   SER  17           HG       SER  17   9.427  12.466  -8.059
  142    H    ASN  18           H        ASN  18   8.064   7.916 -10.091
  143    HA   ASN  18           HA       ASN  18  10.104   6.056  -8.953
  144   1HB   ASN  18          2HB       ASN  18   8.028   4.489  -8.812
  145   2HB   ASN  18          1HB       ASN  18   8.155   5.804  -7.648
  146   1HD2  ASN  18          2HD2      ASN  18   5.323   7.532  -8.895
  147   2HD2  ASN  18          1HD2      ASN  18   6.667   7.611  -7.871
  148    H    GLU  19           H        GLU  19  10.362   6.951 -11.599
  149    HA   GLU  19           HA       GLU  19   9.220   5.181 -13.521
  150   1HB   GLU  19          2HB       GLU  19  11.062   5.924 -14.998
  151   2HB   GLU  19          1HB       GLU  19  10.311   7.282 -14.170
  152   1HG   GLU  19          2HG       GLU  19  12.186   6.911 -12.383
  153   2HG   GLU  19          1HG       GLU  19  13.000   6.029 -13.676
  154    H    LYS  20           H        LYS  20   9.339   3.065 -13.089
  155    HA   LYS  20           HA       LYS  20  10.384   0.946 -13.454
  156   1HB   LYS  20          2HB       LYS  20  12.527   2.106 -14.204
  157   2HB   LYS  20          1HB       LYS  20  13.015   2.113 -12.510
  158   1HG   LYS  20          2HG       LYS  20  13.821   0.033 -12.826
  159   2HG   LYS  20          1HG       LYS  20  12.152  -0.515 -12.971
  160   1HD   LYS  20          2HD       LYS  20  12.988  -1.256 -14.998
  161   2HD   LYS  20          1HD       LYS  20  12.451   0.357 -15.469
  162   1HE   LYS  20          2HE       LYS  20  14.592   1.163 -15.665
  163   2HE   LYS  20          1HE       LYS  20  15.200   0.157 -14.352
  164   1HZ   LYS  20          3HZ       LYS  20  14.315  -1.239 -16.753
  165   2HZ   LYS  20          2HZ       LYS  20  15.736  -0.319 -16.896
  166   3HZ   LYS  20          1HZ       LYS  20  15.634  -1.555 -15.735
  167    H    PHE  21           H        PHE  21   9.024   2.002 -11.181
  168    HA   PHE  21           HA       PHE  21  10.191   0.203  -9.113
  169   1HB   PHE  21          2HB       PHE  21   9.404   3.090  -8.769
  170   2HB   PHE  21          1HB       PHE  21   9.357   1.973  -7.406
  171    HD1  PHE  21           HD1      PHE  21  11.604   0.268  -7.621
  172    HD2  PHE  21           HD2      PHE  21  11.319   4.408  -8.730
  173    HE1  PHE  21           HE1      PHE  21  14.055   0.510  -7.346
  174    HE2  PHE  21           HE2      PHE  21  13.772   4.650  -8.455
  175    HZ   PHE  21           HZ       PHE  21  15.140   2.700  -7.764
  176    H    ILE  22           H        ILE  22   7.348   2.089 -10.156
  177    HA   ILE  22           HA       ILE  22   5.639  -0.138  -9.119
  178    HB   ILE  22           HB       ILE  22   5.454   1.834  -7.624
  179   1HG1  ILE  22          2HG1      ILE  22   2.960   1.606  -9.327
  180   2HG1  ILE  22          1HG1      ILE  22   3.468   0.343  -8.204
  181   1HG2  ILE  22          2HG2      ILE  22   5.922   3.389  -9.717
  182   2HG2  ILE  22          1HG2      ILE  22   4.162   3.394  -9.828
  183   3HG2  ILE  22          3HG2      ILE  22   4.955   3.973  -8.363
  184   1HD1  ILE  22          3HD1      ILE  22   3.643   2.467  -6.558
  185   2HD1  ILE  22          2HD1      ILE  22   2.380   3.056  -7.640
  186   3HD1  ILE  22          1HD1      ILE  22   2.152   1.547  -6.758
  187    H    HIS  23           H        HIS  23   4.540  -1.044 -10.796
  188    HA   HIS  23           HA       HIS  23   3.687   0.715 -13.054
  189   1HB   HIS  23          2HB       HIS  23   5.784  -0.841 -13.439
  190   2HB   HIS  23          1HB       HIS  23   4.562  -2.104 -13.590
  191    HD1  HIS  23           HD1      HIS  23   5.091  -2.297 -16.163
  192    HD2  HIS  23           HD2      HIS  23   3.616   1.421 -14.986
  193    HE1  HIS  23           HE1      HIS  23   4.428  -1.086 -18.285
  194    H    TRP  24           H        TRP  24   1.962  -0.423 -14.398
  195    HA   TRP  24           HA       TRP  24  -0.128  -1.403 -12.634
  196   1HB   TRP  24          2HB       TRP  24   0.050  -1.185 -15.656
  197   2HB   TRP  24          1HB       TRP  24  -1.402  -1.679 -14.795
  198    HD1  TRP  24           HD1      TRP  24   0.518   0.979 -12.974
  199    HE1  TRP  24           HE1      TRP  24  -0.664   3.250 -13.236
  200    HE3  TRP  24           HE3      TRP  24  -2.856  -0.192 -16.631
  201    HZ2  TRP  24           HZ2      TRP  24  -2.757   4.420 -14.786
  202    HZ3  TRP  24           HZ3      TRP  24  -4.427   1.523 -17.481
  203    HH2  TRP  24           HH2      TRP  24  -4.383   3.826 -16.562
  204    H    SER  25           H        SER  25  -1.158  -3.515 -12.813
  205    HA   SER  25           HA       SER  25   0.710  -5.691 -12.958
  206   1HB   SER  25          2HB       SER  25  -1.251  -7.130 -12.648
  207   2HB   SER  25          1HB       SER  25  -1.347  -5.743 -11.567
  208    HG   SER  25           HG       SER  25  -2.899  -6.432 -13.750
  209    H    THR  26           H        THR  26  -1.934  -4.678 -15.140
  210    HA   THR  26           HA       THR  26  -0.432  -5.802 -17.419
  211    HB   THR  26           HB       THR  26  -3.276  -6.689 -16.853
  212    HG1  THR  26           HG1      THR  26  -2.001  -7.748 -15.421
  213   1HG2  THR  26          3HG2      THR  26  -1.262  -7.190 -19.028
  214   2HG2  THR  26          2HG2      THR  26  -2.482  -8.409 -18.657
  215   3HG2  THR  26          1HG2      THR  26  -2.975  -6.796 -19.171
  216    H    SER  27           H        SER  27  -3.649  -4.492 -16.517
  217    HA   SER  27           HA       SER  27  -3.239  -2.283 -18.437
  218   1HB   SER  27          2HB       SER  27  -4.459  -4.418 -19.462
  219   2HB   SER  27          1HB       SER  27  -5.852  -3.723 -18.637
  220    HG   SER  27           HG       SER  27  -5.919  -2.249 -20.125
  221    H    GLY  28           H        GLY  28  -3.647  -2.731 -15.446
  222   1HA   GLY  28          2HA       GLY  28  -4.524  -0.862 -14.079
  223   2HA   GLY  28          1HA       GLY  28  -5.922  -0.813 -15.154
  224    H    GLU  29           H        GLU  29  -7.035  -0.983 -12.977
  225    HA   GLU  29           HA       GLU  29  -8.310  -2.227 -11.463
  226   1HB   GLU  29          2HB       GLU  29  -7.823  -4.224 -13.670
  227   2HB   GLU  29          1HB       GLU  29  -8.706  -4.680 -12.216
  228   1HG   GLU  29          2HG       GLU  29 -10.564  -3.770 -13.101
  229   2HG   GLU  29          1HG       GLU  29  -9.788  -2.190 -13.040
  230    H    SER  30           H        SER  30  -5.183  -2.284 -11.408
  231    HA   SER  30           HA       SER  30  -4.842  -3.670  -8.989
  232   1HB   SER  30          2HB       SER  30  -3.390  -5.613 -10.140
  233   2HB   SER  30          1HB       SER  30  -5.099  -5.823  -9.771
  234    HG   SER  30           HG       SER  30  -4.785  -6.376 -11.904
  235    H    ILE  31           H        ILE  31  -2.799  -3.265  -8.177
  236    HA   ILE  31           HA       ILE  31  -0.817  -2.063 -10.082
  237    HB   ILE  31           HB       ILE  31  -1.124  -1.502  -7.110
  238   1HG1  ILE  31          2HG1      ILE  31  -1.869   0.269  -9.455
  239   2HG1  ILE  31          1HG1      ILE  31  -3.037  -0.689  -8.544
  240   1HG2  ILE  31          1HG2      ILE  31   1.161  -1.208  -8.093
  241   2HG2  ILE  31          3HG2      ILE  31   0.477  -0.064  -9.247
  242   3HG2  ILE  31          2HG2      ILE  31   0.455   0.304  -7.523
  243   1HD1  ILE  31          3HD1      ILE  31  -2.261   0.471  -6.454
  244   2HD1  ILE  31          2HD1      ILE  31  -1.262   1.518  -7.463
  245   3HD1  ILE  31          1HD1      ILE  31  -3.019   1.554  -7.623
  246    H    VAL  32           H        VAL  32   1.459  -2.620  -9.622
  247    HA   VAL  32           HA       VAL  32   1.732  -5.049  -7.889
  248    HB   VAL  32           HB       VAL  32   3.123  -4.561 -10.540
  249   1HG1  VAL  32          1HG1      VAL  32   3.202  -6.768  -8.484
  250   2HG1  VAL  32          3HG1      VAL  32   3.594  -7.089 -10.174
  251   3HG1  VAL  32          2HG1      VAL  32   4.552  -5.932  -9.252
  252   1HG2  VAL  32          3HG2      VAL  32   0.700  -5.028 -10.790
  253   2HG2  VAL  32          2HG2      VAL  32   1.682  -6.372 -11.374
  254   3HG2  VAL  32          1HG2      VAL  32   0.891  -6.477  -9.803
  255    H    VAL  33           H        VAL  33   3.489  -5.085  -6.545
  256    HA   VAL  33           HA       VAL  33   5.402  -2.783  -6.758
  257    HB   VAL  33           HB       VAL  33   4.559  -4.325  -4.276
  258   1HG1  VAL  33          2HG1      VAL  33   6.455  -2.025  -4.769
  259   2HG1  VAL  33          1HG1      VAL  33   5.727  -2.297  -3.186
  260   3HG1  VAL  33          3HG1      VAL  33   6.764  -3.530  -3.904
  261   1HG2  VAL  33          3HG2      VAL  33   2.767  -2.870  -5.187
  262   2HG2  VAL  33          2HG2      VAL  33   3.390  -2.251  -3.658
  263   3HG2  VAL  33          1HG2      VAL  33   3.885  -1.506  -5.177
  264    HA   PRO  34           HA       PRO  34   7.790  -6.598  -7.559
  265   1HB   PRO  34          2HB       PRO  34   9.871  -5.353  -8.840
  266   2HB   PRO  34          1HB       PRO  34   8.403  -5.901  -9.668
  267   1HG   PRO  34          2HG       PRO  34   9.236  -3.135  -8.955
  268   2HG   PRO  34          1HG       PRO  34   8.161  -3.689 -10.250
  269   1HD   PRO  34          2HD       PRO  34   7.354  -2.554  -7.786
  270   2HD   PRO  34          1HD       PRO  34   6.307  -3.381  -8.954
  271    H    ASN  35           H        ASN  35   9.157  -3.423  -6.643
  272    HA   ASN  35           HA       ASN  35  10.793  -4.836  -4.573
  273   1HB   ASN  35          2HB       ASN  35  11.496  -2.340  -6.153
  274   2HB   ASN  35          1HB       ASN  35  12.468  -3.015  -4.843
  275   1HD2  ASN  35          2HD2      ASN  35  12.303  -5.039  -8.425
  276   2HD2  ASN  35          1HD2      ASN  35  11.051  -3.965  -8.022
  277    H    ARG  36           H        ARG  36   9.045  -4.487  -3.056
  278    HA   ARG  36           HA       ARG  36   7.919  -1.909  -2.501
  279   1HB   ARG  36          2HB       ARG  36   7.255  -2.947  -0.322
  280   2HB   ARG  36          1HB       ARG  36   6.816  -3.928  -1.721
  281   1HG   ARG  36          2HG       ARG  36   8.309  -5.581  -1.200
  282   2HG   ARG  36          1HG       ARG  36   9.504  -4.445  -0.572
  283   1HD   ARG  36          2HD       ARG  36   7.732  -4.094   1.345
  284   2HD   ARG  36          1HD       ARG  36   7.146  -5.673   0.820
  285    HE   ARG  36           HE       ARG  36   9.952  -5.883   1.138
  286   1HH1  ARG  36          1HH2      ARG  36   8.306  -4.150   3.365
  287   2HH1  ARG  36          2HH2      ARG  36   8.409  -5.297   4.659
  288   1HH2  ARG  36          2HH1      ARG  36   9.579  -7.864   2.641
  289   2HH2  ARG  36          1HH1      ARG  36   9.130  -7.401   4.249
  290    H    GLU  37           H        GLU  37  10.945  -3.387  -1.619
  291    HA   GLU  37           HA       GLU  37  11.506  -1.833   0.726
  292   1HB   GLU  37          2HB       GLU  37  12.770  -3.889   0.030
  293   2HB   GLU  37          1HB       GLU  37  13.500  -2.949  -1.271
  294   1HG   GLU  37          2HG       GLU  37  14.395  -1.354   0.424
  295   2HG   GLU  37          1HG       GLU  37  13.741  -2.384   1.698
  296    H    ARG  38           H        ARG  38  13.043  -1.434  -2.494
  297    HA   ARG  38           HA       ARG  38  14.037   1.175  -1.991
  298   1HB   ARG  38          2HB       ARG  38  14.612  -0.421  -3.925
  299   2HB   ARG  38          1HB       ARG  38  13.179   0.224  -4.725
  300   1HG   ARG  38          2HG       ARG  38  14.641   1.793  -5.510
  301   2HG   ARG  38          1HG       ARG  38  14.374   2.538  -3.936
  302   1HD   ARG  38          2HD       ARG  38  16.717   2.433  -4.074
  303   2HD   ARG  38          1HD       ARG  38  16.316   0.991  -3.141
  304    HE   ARG  38           HE       ARG  38  16.343  -0.054  -5.623
  305   1HH1  ARG  38          1HH2      ARG  38  17.833   2.224  -6.759
  306   2HH1  ARG  38          2HH2      ARG  38  19.485   1.771  -6.508
  307   1HH2  ARG  38          2HH1      ARG  38  18.739  -0.656  -4.147
  308   2HH2  ARG  38          1HH1      ARG  38  19.999   0.139  -5.030
  309    H    PHE  39           H        PHE  39  10.865   0.103  -3.068
  310    HA   PHE  39           HA       PHE  39   9.896   2.624  -4.021
  311   1HB   PHE  39          2HB       PHE  39   8.682   0.565  -4.503
  312   2HB   PHE  39          1HB       PHE  39   8.425   0.273  -2.786
  313    HD1  PHE  39           HD1      PHE  39   7.543   2.511  -5.626
  314    HD2  PHE  39           HD2      PHE  39   6.692   1.383  -1.569
  315    HE1  PHE  39           HE1      PHE  39   5.460   3.856  -5.691
  316    HE2  PHE  39           HE2      PHE  39   4.604   2.725  -1.635
  317    HZ   PHE  39           HZ       PHE  39   3.990   3.962  -3.695
  318    H    VAL  40           H        VAL  40   8.791   1.096  -1.000
  319    HA   VAL  40           HA       VAL  40   7.743   3.331   0.263
  320    HB   VAL  40           HB       VAL  40   9.283   1.102   1.636
  321   1HG1  VAL  40          3HG1      VAL  40   8.598   3.188   2.981
  322   2HG1  VAL  40          2HG1      VAL  40   6.934   2.672   2.711
  323   3HG1  VAL  40          1HG1      VAL  40   8.048   1.631   3.597
  324   1HG2  VAL  40          3HG2      VAL  40   6.405   1.308   0.709
  325   2HG2  VAL  40          2HG2      VAL  40   7.602   0.124   0.197
  326   3HG2  VAL  40          1HG2      VAL  40   6.980   0.088   1.842
  327    H    GLN  41           H        GLN  41  11.035   2.111   0.936
  328    HA   GLN  41           HA       GLN  41  11.906   4.228   2.550
  329   1HB   GLN  41          2HB       GLN  41  13.286   2.248   0.798
  330   2HB   GLN  41          1HB       GLN  41  14.234   3.583   1.451
  331   1HG   GLN  41          2HG       GLN  41  12.504   2.407   3.490
  332   2HG   GLN  41          1HG       GLN  41  13.580   1.204   2.782
  333   1HE2  GLN  41          2HE2      GLN  41  15.570   4.468   4.286
  334   2HE2  GLN  41          1HE2      GLN  41  14.255   4.702   3.241
  335    H    GLU  42           H        GLU  42  11.687   4.201  -0.990
  336    HA   GLU  42           HA       GLU  42  12.710   7.015  -0.923
  337   1HB   GLU  42          2HB       GLU  42  13.220   4.978  -3.106
  338   2HB   GLU  42          1HB       GLU  42  13.808   6.641  -3.075
  339   1HG   GLU  42          2HG       GLU  42  14.424   4.765  -0.801
  340   2HG   GLU  42          1HG       GLU  42  15.405   4.745  -2.266
  341    H    VAL  43           H        VAL  43   9.882   6.037  -0.957
  342    HA   VAL  43           HA       VAL  43   9.011   7.697  -3.224
  343    HB   VAL  43           HB       VAL  43   8.014   4.834  -3.016
  344   1HG1  VAL  43          2HG1      VAL  43   7.380   7.200  -4.771
  345   2HG1  VAL  43          1HG1      VAL  43   7.132   5.556  -5.359
  346   3HG1  VAL  43          3HG1      VAL  43   6.267   6.121  -3.930
  347   1HG2  VAL  43          1HG2      VAL  43   9.913   6.166  -4.973
  348   2HG2  VAL  43          3HG2      VAL  43  10.289   4.827  -3.888
  349   3HG2  VAL  43          2HG2      VAL  43   9.175   4.585  -5.233
  350    H    LEU  44           H        LEU  44   8.017   5.622  -0.480
  351    HA   LEU  44           HA       LEU  44   5.376   6.689  -0.266
  352   1HB   LEU  44          2HB       LEU  44   6.314   4.616   0.913
  353   2HB   LEU  44          1HB       LEU  44   6.996   5.727   2.097
  354    HG   LEU  44           HG       LEU  44   4.679   6.703   2.377
  355   1HD1  LEU  44          1HD1      LEU  44   4.159   4.559   0.383
  356   2HD1  LEU  44          3HD1      LEU  44   2.971   4.732   1.676
  357   3HD1  LEU  44          2HD1      LEU  44   3.332   6.099   0.622
  358   1HD2  LEU  44          1HD2      LEU  44   5.873   4.634   3.653
  359   2HD2  LEU  44          3HD2      LEU  44   4.277   5.240   4.097
  360   3HD2  LEU  44          2HD2      LEU  44   4.424   3.820   3.061
  361    HA   PRO  45           HA       PRO  45   7.096   9.854   2.766
  362   1HB   PRO  45          2HB       PRO  45   9.787  10.365   2.858
  363   2HB   PRO  45          1HB       PRO  45   8.968   9.224   3.939
  364   1HG   PRO  45          2HG       PRO  45  10.709   8.665   1.587
  365   2HG   PRO  45          1HG       PRO  45  10.429   7.687   3.039
  366   1HD   PRO  45          2HD       PRO  45   9.269   7.227   0.522
  367   2HD   PRO  45          1HD       PRO  45   8.720   6.545   2.062
  368    H    LYS  46           H        LYS  46   7.992   9.423  -0.477
  369    HA   LYS  46           HA       LYS  46   8.772  12.247  -0.895
  370   1HB   LYS  46          2HB       LYS  46   8.931   9.728  -2.456
  371   2HB   LYS  46          1HB       LYS  46   8.626  11.186  -3.398
  372   1HG   LYS  46          2HG       LYS  46  10.607  12.251  -2.550
  373   2HG   LYS  46          1HG       LYS  46  10.841  10.985  -1.345
  374   1HD   LYS  46          2HD       LYS  46  11.122   9.338  -3.224
  375   2HD   LYS  46          1HD       LYS  46  11.074  10.692  -4.353
  376   1HE   LYS  46          2HE       LYS  46  13.071  11.644  -3.448
  377   2HE   LYS  46          1HE       LYS  46  13.026  10.576  -2.046
  378   1HZ   LYS  46          2HZ       LYS  46  13.146   8.723  -3.810
  379   2HZ   LYS  46          1HZ       LYS  46  13.732   9.945  -4.833
  380   3HZ   LYS  46          3HZ       LYS  46  14.567   9.564  -3.407
  381    H    TYR  47           H        TYR  47   5.987  11.318  -0.068
  382    HA   TYR  47           HA       TYR  47   4.516  13.035  -1.922
  383   1HB   TYR  47          2HB       TYR  47   4.053  10.058  -1.755
  384   2HB   TYR  47          1HB       TYR  47   2.729  11.153  -2.154
  385    HD1  TYR  47           HD1      TYR  47   2.908  12.647  -4.167
  386    HD2  TYR  47           HD2      TYR  47   5.776   9.561  -3.333
  387    HE1  TYR  47           HE1      TYR  47   3.717  12.766  -6.508
  388    HE2  TYR  47           HE2      TYR  47   6.585   9.679  -5.674
  389    HH   TYR  47           HH       TYR  47   6.002  12.181  -7.690
  390    H    PHE  48           H        PHE  48   4.316  10.706   0.777
  391    HA   PHE  48           HA       PHE  48   2.291  12.493   2.054
  392   1HB   PHE  48          2HB       PHE  48   2.834   9.535   2.455
  393   2HB   PHE  48          1HB       PHE  48   1.663  10.473   3.385
  394    HD1  PHE  48           HD1      PHE  48  -0.194  11.695   2.116
  395    HD2  PHE  48           HD2      PHE  48   2.271   8.671   0.322
  396    HE1  PHE  48           HE1      PHE  48  -1.865  11.407   0.304
  397    HE2  PHE  48           HE2      PHE  48   0.599   8.381  -1.487
  398    HZ   PHE  48           HZ       PHE  48  -1.468   9.749  -1.495
  399    H    LYS  49           H        LYS  49   4.845  13.345   2.254
  400    HA   LYS  49           HA       LYS  49   6.653  13.772   3.662
  401   1HB   LYS  49          2HB       LYS  49   5.705  14.099   6.156
  402   2HB   LYS  49          1HB       LYS  49   5.446  15.270   4.871
  403   1HG   LYS  49          2HG       LYS  49   3.262  14.082   4.362
  404   2HG   LYS  49          1HG       LYS  49   3.513  13.142   5.832
  405   1HD   LYS  49          2HD       LYS  49   3.923  15.918   6.453
  406   2HD   LYS  49          1HD       LYS  49   2.399  15.762   5.580
  407   1HE   LYS  49          2HE       LYS  49   1.929  13.780   7.195
  408   2HE   LYS  49          1HE       LYS  49   3.216  14.477   8.179
  409   1HZ   LYS  49          3HZ       LYS  49   1.898  16.655   7.819
  410   2HZ   LYS  49          2HZ       LYS  49   0.600  15.616   7.468
  411   3HZ   LYS  49          1HZ       LYS  49   1.364  15.542   8.983
  412    H    HIS  50           H        HIS  50   5.179  12.148   6.431
  413    HA   HIS  50           HA       HIS  50   7.263  10.025   6.129
  414   1HB   HIS  50          2HB       HIS  50   6.545  11.657   8.572
  415   2HB   HIS  50          1HB       HIS  50   7.450  10.146   8.672
  416    HD1  HIS  50           HD1      HIS  50   9.198  10.492   6.120
  417    HD2  HIS  50           HD2      HIS  50   8.642  13.460   8.993
  418    HE1  HIS  50           HE1      HIS  50  11.174  12.060   5.921
  419    H    SER  51           H        SER  51   4.900   9.290   5.215
  420    HA   SER  51           HA       SER  51   3.305   8.088   7.411
  421   1HB   SER  51          2HB       SER  51   1.783   7.378   5.584
  422   2HB   SER  51          1HB       SER  51   2.076   9.114   5.546
  423    HG   SER  51           HG       SER  51   2.550   7.294   3.659
  424    H    ASN  52           H        ASN  52   2.584   5.686   6.785
  425    HA   ASN  52           HA       ASN  52   5.055   4.187   5.997
  426   1HB   ASN  52          2HB       ASN  52   3.086   3.674   8.232
  427   2HB   ASN  52          1HB       ASN  52   4.129   2.398   7.602
  428   1HD2  ASN  52          2HD2      ASN  52   7.054   3.652   9.154
  429   2HD2  ASN  52          1HD2      ASN  52   6.403   2.502   8.089
  430    H    PHE  53           H        PHE  53   4.498   1.897   5.268
  431    HA   PHE  53           HA       PHE  53   2.703   1.923   3.078
  432   1HB   PHE  53          2HB       PHE  53   2.813  -0.660   3.322
  433   2HB   PHE  53          1HB       PHE  53   4.312   0.205   2.994
  434    HD1  PHE  53           HD1      PHE  53   2.244  -1.152   5.817
  435    HD2  PHE  53           HD2      PHE  53   6.151  -0.028   4.425
  436    HE1  PHE  53           HE1      PHE  53   3.251  -2.083   7.885
  437    HE2  PHE  53           HE2      PHE  53   7.157  -0.958   6.492
  438    HZ   PHE  53           HZ       PHE  53   5.707  -1.987   8.222
  439    H    ALA  54           H        ALA  54   2.125   1.208   6.455
  440    HA   ALA  54           HA       ALA  54  -0.413  -0.108   6.152
  441   1HB   ALA  54          3HB       ALA  54   1.180   0.239   8.262
  442   2HB   ALA  54          2HB       ALA  54   0.138   1.638   8.522
  443   3HB   ALA  54          1HB       ALA  54  -0.559   0.019   8.465
  444    H    SER  55           H        SER  55   0.519   3.299   6.571
  445    HA   SER  55           HA       SER  55  -2.154   4.341   6.704
  446   1HB   SER  55          2HB       SER  55   0.223   5.829   5.583
  447   2HB   SER  55          1HB       SER  55  -1.157   6.487   6.455
  448    HG   SER  55           HG       SER  55   0.324   6.337   8.009
  449    H    PHE  56           H        PHE  56   0.051   3.702   3.996
  450    HA   PHE  56           HA       PHE  56  -1.467   4.975   1.946
  451   1HB   PHE  56          2HB       PHE  56   0.917   3.908   1.869
  452   2HB   PHE  56          1HB       PHE  56   0.058   2.421   1.463
  453    HD1  PHE  56           HD2      PHE  56  -1.622   2.511  -0.495
  454    HD2  PHE  56           HD1      PHE  56   1.349   5.527   0.219
  455    HE1  PHE  56           HE2      PHE  56  -1.843   3.283  -2.841
  456    HE2  PHE  56           HE1      PHE  56   1.131   6.299  -2.126
  457    HZ   PHE  56           HZ       PHE  56  -0.467   5.178  -3.657
  458    H    VAL  57           H        VAL  57  -1.608   1.655   3.226
  459    HA   VAL  57           HA       VAL  57  -3.627   0.731   1.397
  460    HB   VAL  57           HB       VAL  57  -3.042  -0.256   4.205
  461   1HG1  VAL  57          3HG1      VAL  57  -5.173  -1.025   3.034
  462   2HG1  VAL  57          2HG1      VAL  57  -4.132  -1.777   1.824
  463   3HG1  VAL  57          1HG1      VAL  57  -4.060  -2.311   3.503
  464   1HG2  VAL  57          1HG2      VAL  57  -1.180  -0.091   2.261
  465   2HG2  VAL  57          3HG2      VAL  57  -1.247  -1.445   3.388
  466   3HG2  VAL  57          2HG2      VAL  57  -1.951  -1.601   1.779
  467    H    ARG  58           H        ARG  58  -3.741   2.415   4.487
  468    HA   ARG  58           HA       ARG  58  -6.500   2.021   5.087
  469   1HB   ARG  58          2HB       ARG  58  -4.593   4.280   5.733
  470   2HB   ARG  58          1HB       ARG  58  -6.238   4.206   6.365
  471   1HG   ARG  58          2HG       ARG  58  -4.509   1.784   6.656
  472   2HG   ARG  58          1HG       ARG  58  -4.202   3.156   7.719
  473   1HD   ARG  58          2HD       ARG  58  -7.015   2.809   7.683
  474   2HD   ARG  58          1HD       ARG  58  -6.317   1.199   7.867
  475    HE   ARG  58           HE       ARG  58  -6.299   3.274   9.872
  476   1HH1  ARG  58          2HH1      ARG  58  -3.741   3.427  10.410
  477   2HH1  ARG  58          1HH1      ARG  58  -3.169   1.904  11.005
  478   1HH2  ARG  58          1HH2      ARG  58  -5.890   0.115   9.816
  479   2HH2  ARG  58          2HH2      ARG  58  -4.386   0.031  10.670
  480    H    GLN  59           H        GLN  59  -4.877   4.631   3.262
  481    HA   GLN  59           HA       GLN  59  -7.249   6.108   2.654
  482   1HB   GLN  59          2HB       GLN  59  -4.528   5.913   1.376
  483   2HB   GLN  59          1HB       GLN  59  -5.803   6.880   0.635
  484   1HG   GLN  59          2HG       GLN  59  -4.803   8.471   1.998
  485   2HG   GLN  59          1HG       GLN  59  -6.053   7.857   3.078
  486   1HE2  GLN  59          2HE2      GLN  59  -3.740   6.571   5.406
  487   2HE2  GLN  59          1HE2      GLN  59  -5.362   6.892   5.029
  488    H    LEU  60           H        LEU  60  -5.568   3.513   0.893
  489    HA   LEU  60           HA       LEU  60  -7.140   3.511  -1.462
  490   1HB   LEU  60          2HB       LEU  60  -5.832   1.196  -0.011
  491   2HB   LEU  60          1HB       LEU  60  -6.438   1.120  -1.654
  492    HG   LEU  60           HG       LEU  60  -4.394   3.162  -0.764
  493   1HD1  LEU  60          1HD1      LEU  60  -4.083   0.315  -1.641
  494   2HD1  LEU  60          3HD1      LEU  60  -2.895   1.499  -2.188
  495   3HD1  LEU  60          2HD1      LEU  60  -3.144   1.233  -0.463
  496   1HD2  LEU  60          3HD2      LEU  60  -5.929   3.165  -2.988
  497   2HD2  LEU  60          2HD2      LEU  60  -4.273   3.768  -2.978
  498   3HD2  LEU  60          1HD2      LEU  60  -4.613   2.136  -3.551
  499    H    ASN  61           H        ASN  61  -7.788   2.104   1.710
  500    HA   ASN  61           HA       ASN  61 -10.100   0.571   0.845
  501   1HB   ASN  61          2HB       ASN  61  -8.831   1.276   3.453
  502   2HB   ASN  61          1HB       ASN  61 -10.511   0.738   3.476
  503   1HD2  ASN  61          2HD2      ASN  61  -9.661  -2.636   2.959
  504   2HD2  ASN  61          1HD2      ASN  61 -10.848  -1.501   3.385
  505    H    MET  62           H        MET  62  -9.760   3.652   2.652
  506    HA   MET  62           HA       MET  62 -12.591   4.119   2.827
  507   1HB   MET  62          2HB       MET  62 -11.940   6.429   3.465
  508   2HB   MET  62          1HB       MET  62 -11.045   5.206   4.366
  509   1HG   MET  62          2HG       MET  62  -9.056   5.763   3.410
  510   2HG   MET  62          1HG       MET  62  -9.778   6.030   1.826
  511   1HE   MET  62          1HE       MET  62  -8.763   7.383   5.213
  512   2HE   MET  62          3HE       MET  62  -9.535   8.969   5.344
  513   3HE   MET  62          2HE       MET  62 -10.509   7.502   5.408
  514    H    TYR  63           H        TYR  63 -10.537   4.329   0.108
  515    HA   TYR  63           HA       TYR  63 -12.308   6.380  -1.142
  516   1HB   TYR  63          2HB       TYR  63  -9.536   5.404  -1.855
  517   2HB   TYR  63          1HB       TYR  63 -10.498   6.406  -2.941
  518    HD1  TYR  63           HD2      TYR  63 -11.826   8.331  -1.267
  519    HD2  TYR  63           HD1      TYR  63  -7.874   6.699  -0.854
  520    HE1  TYR  63           HE2      TYR  63 -11.125  10.349  -0.010
  521    HE2  TYR  63           HE1      TYR  63  -7.174   8.715   0.404
  522    HH   TYR  63           HH       TYR  63  -9.322  11.501   0.801
  523    H    GLY  64           H        GLY  64 -11.238   3.036  -1.395
  524   1HA   GLY  64          2HA       GLY  64 -13.359   1.856  -2.559
  525   2HA   GLY  64          1HA       GLY  64 -12.672   2.680  -3.958
  526    H    TRP  65           H        TRP  65  -9.913   2.357  -3.292
  527    HA   TRP  65           HA       TRP  65  -9.414  -0.237  -4.383
  528   1HB   TRP  65          2HB       TRP  65  -7.670   1.818  -3.025
  529   2HB   TRP  65          1HB       TRP  65  -7.017   0.261  -3.535
  530    HD1  TRP  65           HD1      TRP  65  -8.643   3.429  -4.962
  531    HE1  TRP  65           HE1      TRP  65  -8.091   3.569  -7.478
  532    HE3  TRP  65           HE3      TRP  65  -6.337  -1.082  -5.612
  533    HZ2  TRP  65           HZ2      TRP  65  -6.837   1.979  -9.497
  534    HZ3  TRP  65           HZ3      TRP  65  -5.474  -1.743  -7.840
  535    HH2  TRP  65           HH2      TRP  65  -5.721  -0.220  -9.780
  536    H    HIS  66           H        HIS  66  -7.821  -1.790  -3.156
  537    HA   HIS  66           HA       HIS  66  -8.299  -2.009  -0.268
  538   1HB   HIS  66          2HB       HIS  66  -9.492  -3.957  -2.255
  539   2HB   HIS  66          1HB       HIS  66  -9.228  -4.367  -0.561
  540    HD1  HIS  66           HD1      HIS  66 -11.325  -2.213  -2.800
  541    HD2  HIS  66           HD2      HIS  66 -10.969  -3.048   1.268
  542    HE1  HIS  66           HE1      HIS  66 -13.362  -1.207  -1.682
  543    H    LYS  67           H        LYS  67  -7.058  -3.837   0.657
  544    HA   LYS  67           HA       LYS  67  -4.533  -4.237  -0.789
  545   1HB   LYS  67          2HB       LYS  67  -5.160  -3.944   1.869
  546   2HB   LYS  67          1HB       LYS  67  -4.959  -5.692   1.750
  547   1HG   LYS  67          2HG       LYS  67  -2.766  -5.216   0.524
  548   2HG   LYS  67          1HG       LYS  67  -2.953  -3.541   1.049
  549   1HD   LYS  67          2HD       LYS  67  -2.538  -4.037   3.248
  550   2HD   LYS  67          1HD       LYS  67  -3.282  -5.632   3.138
  551   1HE   LYS  67          2HE       LYS  67  -1.345  -6.638   2.395
  552   2HE   LYS  67          1HE       LYS  67  -0.776  -5.179   1.585
  553   1HZ   LYS  67          2HZ       LYS  67  -0.598  -4.262   3.967
  554   2HZ   LYS  67          1HZ       LYS  67  -0.613  -5.896   4.433
  555   3HZ   LYS  67          3HZ       LYS  67   0.605  -5.322   3.404
  556    H    VAL  68           H        VAL  68  -3.873  -6.833   0.188
  557    HA   VAL  68           HA       VAL  68  -5.940  -8.709  -0.693
  558    HB   VAL  68           HB       VAL  68  -5.066  -7.944  -2.854
  559   1HG1  VAL  68          1HG1      VAL  68  -2.748  -7.444  -1.640
  560   2HG1  VAL  68          3HG1      VAL  68  -2.355  -9.049  -2.256
  561   3HG1  VAL  68          2HG1      VAL  68  -2.826  -7.768  -3.370
  562   1HG2  VAL  68          2HG2      VAL  68  -5.537 -10.453  -2.310
  563   2HG2  VAL  68          1HG2      VAL  68  -4.682 -10.063  -3.802
  564   3HG2  VAL  68          3HG2      VAL  68  -3.785 -10.635  -2.394
  565    H    GLN  69           H        GLN  69  -5.603  -9.660   1.364
  566    HA   GLN  69           HA       GLN  69  -3.043 -11.180   1.601
  567   1HB   GLN  69          2HB       GLN  69  -4.368  -9.384   3.595
  568   2HB   GLN  69          1HB       GLN  69  -3.571 -10.839   4.192
  569   1HG   GLN  69          2HG       GLN  69  -1.506 -10.160   2.952
  570   2HG   GLN  69          1HG       GLN  69  -2.311  -8.654   2.507
  571   1HE2  GLN  69          2HE2      GLN  69  -0.333  -8.106   5.668
  572   2HE2  GLN  69          1HE2      GLN  69   0.073  -8.656   4.114
  573    H    ASP  70           H        ASP  70  -4.969 -12.515   0.444
  574    HA   ASP  70           HA       ASP  70  -6.237 -14.140   2.610
  575   1HB   ASP  70          2HB       ASP  70  -7.831 -12.704   1.209
  576   2HB   ASP  70          1HB       ASP  70  -7.420 -13.754  -0.147
  577    H    VAL  71           H        VAL  71  -6.441 -16.422   2.099
  578    HA   VAL  71           HA       VAL  71  -4.701 -17.336  -0.153
  579    HB   VAL  71           HB       VAL  71  -4.801 -18.562   2.623
  580   1HG1  VAL  71          3HG1      VAL  71  -3.229 -19.158   0.109
  581   2HG1  VAL  71          2HG1      VAL  71  -2.716 -19.726   1.698
  582   3HG1  VAL  71          1HG1      VAL  71  -4.262 -20.252   1.029
  583   1HG2  VAL  71          2HG2      VAL  71  -3.652 -16.228   2.245
  584   2HG2  VAL  71          1HG2      VAL  71  -2.782 -17.486   3.124
  585   3HG2  VAL  71          3HG2      VAL  71  -2.411 -17.180   1.428
  586    H    LYS  72           H        LYS  72  -6.710 -17.698  -1.318
  587    HA   LYS  72           HA       LYS  72  -8.655 -19.605  -0.219
  588   1HB   LYS  72          2HB       LYS  72  -8.395 -18.132  -2.845
  589   2HB   LYS  72          1HB       LYS  72  -9.619 -19.378  -2.600
  590   1HG   LYS  72          2HG       LYS  72 -10.044 -17.957  -0.365
  591   2HG   LYS  72          1HG       LYS  72  -9.405 -16.665  -1.380
  592   1HD   LYS  72          2HD       LYS  72 -11.089 -17.100  -3.079
  593   2HD   LYS  72          1HD       LYS  72 -11.669 -18.509  -2.190
  594   1HE   LYS  72          2HE       LYS  72 -11.719 -15.661  -1.147
  595   2HE   LYS  72          1HE       LYS  72 -13.110 -16.518  -1.813
  596   1HZ   LYS  72          1HZ       LYS  72 -12.625 -18.267  -0.081
  597   2HZ   LYS  72          3HZ       LYS  72 -11.584 -17.142   0.645
  598   3HZ   LYS  72          2HZ       LYS  72 -13.241 -16.792   0.495
  599    H    SER  73           H        SER  73  -7.202 -19.717  -3.470
  600    HA   SER  73           HA       SER  73  -6.902 -22.645  -3.172
  601   1HB   SER  73          2HB       SER  73  -7.036 -20.727  -5.442
  602   2HB   SER  73          1HB       SER  73  -6.028 -22.151  -5.683
  603    HG   SER  73           HG       SER  73  -7.791 -23.257  -5.896
  604    H    GLY  74           H        GLY  74  -4.765 -20.396  -4.917
  605   1HA   GLY  74          2HA       GLY  74  -2.429 -20.226  -4.934
  606   2HA   GLY  74          1HA       GLY  74  -2.562 -20.344  -3.181
  607    H    SER  75           H        SER  75  -1.840 -22.085  -6.118
  608    HA   SER  75           HA       SER  75  -1.729 -24.740  -5.017
  609   1HB   SER  75          2HB       SER  75  -0.061 -25.074  -6.972
  610   2HB   SER  75          1HB       SER  75  -1.710 -24.612  -7.382
  611    HG   SER  75           HG       SER  75   0.370 -23.391  -8.172
  612    H    MET  76           H        MET  76   0.517 -22.038  -5.097
  613    HA   MET  76           HA       MET  76   2.171 -23.366  -3.042
  614   1HB   MET  76          2HB       MET  76   4.272 -22.735  -4.331
  615   2HB   MET  76          1HB       MET  76   3.359 -24.084  -5.007
  616   1HG   MET  76          2HG       MET  76   2.734 -22.907  -6.868
  617   2HG   MET  76          1HG       MET  76   2.578 -21.392  -5.982
  618   1HE   MET  76          1HE       MET  76   3.392 -21.006  -8.509
  619   2HE   MET  76          3HE       MET  76   3.953 -19.655  -7.516
  620   3HE   MET  76          2HE       MET  76   5.031 -20.388  -8.701
  621    H    LEU  77           H        LEU  77   0.349 -21.047  -3.187
  622    HA   LEU  77           HA       LEU  77   2.021 -18.653  -3.148
  623   1HB   LEU  77          2HB       LEU  77  -0.676 -19.103  -3.481
  624   2HB   LEU  77          1HB       LEU  77  -0.613 -18.511  -1.822
  625    HG   LEU  77           HG       LEU  77   0.929 -16.648  -2.781
  626   1HD1  LEU  77          3HD1      LEU  77   0.975 -17.973  -5.037
  627   2HD1  LEU  77          2HD1      LEU  77  -0.594 -17.218  -5.316
  628   3HD1  LEU  77          1HD1      LEU  77   0.839 -16.215  -5.087
  629   1HD2  LEU  77          2HD2      LEU  77  -2.036 -16.954  -3.001
  630   2HD2  LEU  77          1HD2      LEU  77  -1.094 -15.817  -2.037
  631   3HD2  LEU  77          3HD2      LEU  77  -1.304 -15.543  -3.767
  632    H    SER  78           H        SER  78   1.158 -17.289  -0.898
  633    HA   SER  78           HA       SER  78   1.642 -17.011   1.376
  634   1HB   SER  78          2HB       SER  78   0.060 -19.147   1.326
  635   2HB   SER  78          1HB       SER  78   1.537 -19.974   1.816
  636    HG   SER  78           HG       SER  78   1.682 -18.557   3.568
  637    H    ASN  79           H        ASN  79   3.848 -17.022  -0.238
  638    HA   ASN  79           HA       ASN  79   5.890 -18.140   1.574
  639   1HB   ASN  79          2HB       ASN  79   5.258 -19.805  -0.369
  640   2HB   ASN  79          1HB       ASN  79   6.236 -18.713  -1.352
  641   1HD2  ASN  79          2HD2      ASN  79   9.194 -20.242  -0.241
  642   2HD2  ASN  79          1HD2      ASN  79   8.332 -19.510  -1.506
  643    H    ASN  80           H        ASN  80   4.940 -15.454   0.716
  644    HA   ASN  80           HA       ASN  80   7.570 -14.291   0.196
  645   1HB   ASN  80          2HB       ASN  80   6.851 -13.070  -1.854
  646   2HB   ASN  80          1HB       ASN  80   6.916 -14.814  -2.100
  647   1HD2  ASN  80          2HD2      ASN  80   3.537 -13.070  -3.048
  648   2HD2  ASN  80          1HD2      ASN  80   5.089 -12.385  -3.113
  649    H    ASP  81           H        ASP  81   7.629 -12.106   0.824
  650    HA   ASP  81           HA       ASP  81   5.055 -10.805   1.546
  651   1HB   ASP  81          2HB       ASP  81   6.031 -10.151   3.764
  652   2HB   ASP  81          1HB       ASP  81   5.752 -11.886   3.610
  653    H    SER  82           H        SER  82   6.940 -10.290  -0.592
  654    HA   SER  82           HA       SER  82   7.530  -7.464   0.039
  655   1HB   SER  82          2HB       SER  82   9.832  -7.904  -1.173
  656   2HB   SER  82          1HB       SER  82   9.674  -8.194   0.558
  657    HG   SER  82           HG       SER  82  10.345 -10.121   0.006
  658    H    ARG  83           H        ARG  83   5.634  -8.889  -1.689
  659    HA   ARG  83           HA       ARG  83   5.870  -7.310  -4.059
  660   1HB   ARG  83          2HB       ARG  83   7.633  -9.349  -4.225
  661   2HB   ARG  83          1HB       ARG  83   6.193 -10.168  -4.833
  662   1HG   ARG  83          2HG       ARG  83   5.932  -7.958  -6.267
  663   2HG   ARG  83          1HG       ARG  83   7.669  -7.830  -5.983
  664   1HD   ARG  83          2HD       ARG  83   7.531  -9.076  -7.981
  665   2HD   ARG  83          1HD       ARG  83   7.767 -10.307  -6.741
  666    HE   ARG  83           HE       ARG  83   4.978  -9.667  -7.523
  667   1HH1  ARG  83          2HH1      ARG  83   7.473 -11.393  -8.891
  668   2HH1  ARG  83          1HH1      ARG  83   6.695 -12.939  -8.821
  669   1HH2  ARG  83          1HH2      ARG  83   4.063 -11.820  -6.861
  670   2HH2  ARG  83          2HH2      ARG  83   4.763 -13.180  -7.672
  671    H    TRP  84           H        TRP  84   3.657  -6.940  -3.646
  672    HA   TRP  84           HA       TRP  84   1.904  -9.294  -4.154
  673   1HB   TRP  84          2HB       TRP  84   0.192  -7.757  -2.747
  674   2HB   TRP  84          1HB       TRP  84   1.188  -9.000  -2.010
  675    HD1  TRP  84           HD1      TRP  84   3.830  -7.839  -1.426
  676    HE1  TRP  84           HE1      TRP  84   4.201  -5.732   0.022
  677    HE3  TRP  84           HE3      TRP  84  -0.786  -5.705  -1.800
  678    HZ2  TRP  84           HZ2      TRP  84   2.715  -3.449   0.909
  679    HZ3  TRP  84           HZ3      TRP  84  -1.290  -3.574  -0.641
  680    HH2  TRP  84           HH2      TRP  84   0.453  -2.443   0.711
  681    H    GLU  85           H        GLU  85  -0.448  -8.364  -4.717
  682    HA   GLU  85           HA       GLU  85  -0.047  -6.154  -6.687
  683   1HB   GLU  85          2HB       GLU  85  -0.225  -8.401  -7.762
  684   2HB   GLU  85          1HB       GLU  85  -1.813  -8.594  -7.024
  685   1HG   GLU  85          2HG       GLU  85  -2.228  -6.220  -8.182
  686   2HG   GLU  85          1HG       GLU  85  -0.973  -6.813  -9.268
  687    H    PHE  86           H        PHE  86  -1.140  -4.445  -5.801
  688    HA   PHE  86           HA       PHE  86  -3.292  -4.508  -3.976
  689   1HB   PHE  86          2HB       PHE  86  -2.454  -2.491  -6.055
  690   2HB   PHE  86          1HB       PHE  86  -3.847  -2.207  -5.018
  691    HD1  PHE  86           HD2      PHE  86  -0.186  -2.786  -5.054
  692    HD2  PHE  86           HD1      PHE  86  -3.594  -1.640  -2.713
  693    HE1  PHE  86           HE2      PHE  86   1.323  -2.007  -3.246
  694    HE2  PHE  86           HE1      PHE  86  -2.090  -0.861  -0.902
  695    HZ   PHE  86           HZ       PHE  86   0.369  -1.043  -1.168
  696    H    GLU  87           H        GLU  87  -5.520  -4.688  -4.213
  697    HA   GLU  87           HA       GLU  87  -6.518  -5.294  -6.966
  698   1HB   GLU  87          2HB       GLU  87  -7.103  -6.408  -4.275
  699   2HB   GLU  87          1HB       GLU  87  -8.501  -6.182  -5.328
  700   1HG   GLU  87          2HG       GLU  87  -7.327  -7.444  -7.121
  701   2HG   GLU  87          1HG       GLU  87  -5.979  -7.721  -6.017
  702    H    ASN  88           H        ASN  88  -8.598  -4.369  -7.556
  703    HA   ASN  88           HA       ASN  88  -9.000  -1.708  -6.371
  704   1HB   ASN  88          2HB       ASN  88  -9.087  -2.349  -8.897
  705   2HB   ASN  88          1HB       ASN  88 -10.728  -2.893  -8.533
  706   1HD2  ASN  88          2HD2      ASN  88 -11.598   0.493  -9.260
  707   2HD2  ASN  88          1HD2      ASN  88 -11.593  -1.093  -9.866
  708    H    GLU  89           H        GLU  89 -10.423  -4.855  -6.069
  709    HA   GLU  89           HA       GLU  89 -12.230  -3.945  -4.003
  710   1HB   GLU  89          2HB       GLU  89 -14.334  -4.652  -5.207
  711   2HB   GLU  89          1HB       GLU  89 -13.601  -3.180  -5.840
  712   1HG   GLU  89          2HG       GLU  89 -13.336  -4.119  -7.871
  713   2HG   GLU  89          1HG       GLU  89 -12.453  -5.477  -7.174
  714    H    ARG  90           H        ARG  90 -11.477  -5.638  -2.732
  715    HA   ARG  90           HA       ARG  90 -11.322  -8.368  -3.780
  716   1HB   ARG  90          2HB       ARG  90  -9.856  -7.293  -1.914
  717   2HB   ARG  90          1HB       ARG  90 -11.223  -7.642  -0.856
  718   1HG   ARG  90          2HG       ARG  90 -11.121 -10.037  -1.797
  719   2HG   ARG  90          1HG       ARG  90  -9.534  -9.592  -2.426
  720   1HD   ARG  90          2HD       ARG  90  -8.578  -9.517  -0.344
  721   2HD   ARG  90          1HD       ARG  90 -10.054  -8.934   0.428
  722    HE   ARG  90           HE       ARG  90  -9.520 -11.790  -0.270
  723   1HH1  ARG  90          2HH1      ARG  90 -12.412 -10.684  -0.007
  724   2HH1  ARG  90          1HH1      ARG  90 -12.774 -11.162   1.619
  725   1HH2  ARG  90          1HH2      ARG  90  -9.471 -11.824   2.441
  726   2HH2  ARG  90          2HH2      ARG  90 -11.110 -11.808   3.003
  727    H    HIS  91           H        HIS  91 -13.240  -6.807  -1.177
  728    HA   HIS  91           HA       HIS  91 -15.498  -8.613  -1.903
  729   1HB   HIS  91          2HB       HIS  91 -13.941  -8.695   0.549
  730   2HB   HIS  91          1HB       HIS  91 -15.619  -8.292   0.909
  731    HD1  HIS  91           HD1      HIS  91 -16.656 -10.457   1.618
  732    HD2  HIS  91           HD2      HIS  91 -14.322 -10.910  -1.805
  733    HE1  HIS  91           HE1      HIS  91 -16.990 -12.842   0.835
  734    H    ALA  92           HN       ALA  92 -17.524  -7.813  -0.537
  735    HA   ALA  92           HA       ALA  92 -17.492  -4.858  -0.220
  736   1HB   ALA  92          3HB       ALA  92 -18.191  -5.444  -2.580
  737   2HB   ALA  92          2HB       ALA  92 -19.578  -6.287  -1.890
  738   3HB   ALA  92          1HB       ALA  92 -19.402  -4.548  -1.663
   
  No H/Q in entry =         738
  Start of MODEL           2
 Raw file had  756 H/Q atoms
  Start of MODEL    2
    1   1H    ALA   1          1H        ALA   1 -16.833  11.167  -7.455
    2   2H    ALA   1          3H        ALA   1 -16.937  10.010  -8.689
    3   3H    ALA   1          2H        ALA   1 -17.739   9.751  -7.214
    4    HA   ALA   1           HA       ALA   1 -15.691   9.511  -6.043
    5   1HB   ALA   1          1HB       ALA   1 -15.963   7.945  -8.611
    6   2HB   ALA   1          3HB       ALA   1 -14.682   7.593  -7.451
    7   3HB   ALA   1          2HB       ALA   1 -16.373   7.440  -6.971
    8    H    ARG   2           H        ARG   2 -14.381  11.404  -6.096
    9    HA   ARG   2           HA       ARG   2 -11.966  11.165  -7.689
   10   1HB   ARG   2          2HB       ARG   2 -12.206  13.378  -8.827
   11   2HB   ARG   2          1HB       ARG   2 -13.372  12.185  -9.399
   12   1HG   ARG   2          2HG       ARG   2 -14.640  13.414  -7.215
   13   2HG   ARG   2          1HG       ARG   2 -13.848  14.737  -8.070
   14   1HD   ARG   2          2HD       ARG   2 -14.865  13.828 -10.209
   15   2HD   ARG   2          1HD       ARG   2 -15.816  12.737  -9.204
   16    HE   ARG   2           HE       ARG   2 -16.057  15.712  -9.173
   17   1HH1  ARG   2          2HH1      ARG   2 -16.781  13.761  -6.783
   18   2HH1  ARG   2          1HH1      ARG   2 -18.503  13.738  -6.965
   19   1HH2  ARG   2          1HH2      ARG   2 -18.456  15.157 -10.126
   20   2HH2  ARG   2          2HH2      ARG   2 -19.451  14.528  -8.857
   21    HA   PRO   3           HA       PRO   3 -11.692  13.618  -3.826
   22   1HB   PRO   3          2HB       PRO   3 -10.182  11.901  -2.311
   23   2HB   PRO   3          1HB       PRO   3 -11.954  11.893  -2.324
   24   1HG   PRO   3          2HG       PRO   3 -10.057   9.981  -3.594
   25   2HG   PRO   3          1HG       PRO   3 -11.714   9.712  -3.031
   26   1HD   PRO   3          2HD       PRO   3 -10.927  10.085  -5.712
   27   2HD   PRO   3          1HD       PRO   3 -12.586  10.165  -5.094
   28    H    ALA   4           H        ALA   4  -9.564  14.282  -2.660
   29    HA   ALA   4           HA       ALA   4  -7.619  15.013  -4.651
   30   1HB   ALA   4          1HB       ALA   4  -8.068  16.405  -2.667
   31   2HB   ALA   4          3HB       ALA   4  -7.430  15.133  -1.625
   32   3HB   ALA   4          2HB       ALA   4  -6.362  15.968  -2.754
   33    H    PHE   5           H        PHE   5  -7.843  12.347  -2.371
   34    HA   PHE   5           HA       PHE   5  -5.061  11.587  -2.464
   35   1HB   PHE   5          2HB       PHE   5  -6.703  10.799  -0.725
   36   2HB   PHE   5          1HB       PHE   5  -7.443   9.781  -1.961
   37    HD1  PHE   5           HD2      PHE   5  -4.136  10.522  -0.360
   38    HD2  PHE   5           HD1      PHE   5  -6.588   7.638  -2.392
   39    HE1  PHE   5           HE2      PHE   5  -2.411   8.782   0.026
   40    HE2  PHE   5           HE1      PHE   5  -4.862   5.899  -2.005
   41    HZ   PHE   5           HZ       PHE   5  -2.775   6.470  -0.796
   42    H    VAL   6           H        VAL   6  -7.933  10.516  -4.293
   43    HA   VAL   6           HA       VAL   6  -6.506   8.589  -5.890
   44    HB   VAL   6           HB       VAL   6  -9.096  10.070  -6.458
   45   1HG1  VAL   6          2HG1      VAL   6  -7.641   7.853  -7.851
   46   2HG1  VAL   6          1HG1      VAL   6  -9.402   7.794  -7.794
   47   3HG1  VAL   6          3HG1      VAL   6  -8.590   9.173  -8.532
   48   1HG2  VAL   6          1HG2      VAL   6  -8.850   8.590  -4.343
   49   2HG2  VAL   6          3HG2      VAL   6 -10.210   8.256  -5.416
   50   3HG2  VAL   6          2HG2      VAL   6  -8.774   7.236  -5.470
   51    H    ASN   7           H        ASN   7  -7.035  12.059  -6.152
   52    HA   ASN   7           HA       ASN   7  -6.246  12.332  -8.909
   53   1HB   ASN   7          2HB       ASN   7  -6.315  14.231  -6.561
   54   2HB   ASN   7          1HB       ASN   7  -5.705  14.736  -8.137
   55   1HD2  ASN   7          2HD2      ASN   7  -9.008  14.087  -9.681
   56   2HD2  ASN   7          1HD2      ASN   7  -7.402  13.613  -9.957
   57    H    LYS   8           H        LYS   8  -4.460  12.448  -5.843
   58    HA   LYS   8           HA       LYS   8  -1.908  13.004  -7.144
   59   1HB   LYS   8          2HB       LYS   8  -0.959  12.572  -4.876
   60   2HB   LYS   8          1HB       LYS   8  -2.269  13.752  -4.848
   61   1HG   LYS   8          2HG       LYS   8  -3.822  12.155  -3.991
   62   2HG   LYS   8          1HG       LYS   8  -2.747  10.807  -4.352
   63   1HD   LYS   8          2HD       LYS   8  -2.696  11.298  -1.949
   64   2HD   LYS   8          1HD       LYS   8  -1.131  11.668  -2.672
   65   1HE   LYS   8          2HE       LYS   8  -1.789  14.058  -2.832
   66   2HE   LYS   8          1HE       LYS   8  -3.325  13.674  -2.056
   67   1HZ   LYS   8          2HZ       LYS   8  -0.975  12.738  -0.638
   68   2HZ   LYS   8          1HZ       LYS   8  -1.114  14.428  -0.744
   69   3HZ   LYS   8          3HZ       LYS   8  -2.366  13.519  -0.051
   70    H    LEU   9           H        LEU   9  -3.770  10.156  -6.538
   71    HA   LEU   9           HA       LEU   9  -1.498   8.321  -6.481
   72   1HB   LEU   9          2HB       LEU   9  -3.664   7.810  -5.363
   73   2HB   LEU   9          1HB       LEU   9  -4.446   7.763  -6.943
   74    HG   LEU   9           HG       LEU   9  -2.707   5.993  -7.579
   75   1HD1  LEU   9          1HD1      LEU   9  -2.382   5.989  -4.563
   76   2HD1  LEU   9          3HD1      LEU   9  -1.732   4.764  -5.652
   77   3HD1  LEU   9          2HD1      LEU   9  -1.140   6.423  -5.737
   78   1HD2  LEU   9          1HD2      LEU   9  -5.074   5.466  -7.066
   79   2HD2  LEU   9          3HD2      LEU   9  -3.996   4.193  -6.493
   80   3HD2  LEU   9          2HD2      LEU   9  -4.671   5.356  -5.353
   81    H    TRP  10           H        TRP  10  -3.598   9.698  -8.937
   82    HA   TRP  10           HA       TRP  10  -2.960   7.755 -10.990
   83   1HB   TRP  10          2HB       TRP  10  -4.126  10.542 -11.074
   84   2HB   TRP  10          1HB       TRP  10  -3.850   9.590 -12.530
   85    HD1  TRP  10           HD1      TRP  10  -6.584  10.427 -10.514
   86    HE1  TRP  10           HE1      TRP  10  -8.372   8.574 -10.390
   87    HE3  TRP  10           HE3      TRP  10  -3.856   6.451 -12.192
   88    HZ2  TRP  10           HZ2      TRP  10  -8.612   5.781 -10.922
   89    HZ3  TRP  10           HZ3      TRP  10  -4.888   4.206 -12.373
   90    HH2  TRP  10           HH2      TRP  10  -7.261   3.865 -11.741
   91    H    SER  11           H        SER  11  -1.006  10.140  -9.586
   92    HA   SER  11           HA       SER  11   0.496  10.545 -12.133
   93   1HB   SER  11          2HB       SER  11   1.531  12.465 -11.042
   94   2HB   SER  11          1HB       SER  11  -0.220  12.589 -10.909
   95    HG   SER  11           HG       SER  11   0.638  12.974  -8.897
   96    H    MET  12           H        MET  12   0.944   9.610  -8.721
   97    HA   MET  12           HA       MET  12   3.774   9.030  -9.144
   98   1HB   MET  12          2HB       MET  12   3.721   8.181  -6.826
   99   2HB   MET  12          1HB       MET  12   2.980   9.774  -6.943
  100   1HG   MET  12          2HG       MET  12   1.241   8.829  -5.828
  101   2HG   MET  12          1HG       MET  12   0.817   8.143  -7.393
  102   1HE   MET  12          3HE       MET  12   1.996   8.057  -4.137
  103   2HE   MET  12          2HE       MET  12   1.578   6.436  -3.587
  104   3HE   MET  12          1HE       MET  12   3.241   6.804  -4.037
  105    H    VAL  13           H        VAL  13   0.777   7.135  -9.101
  106    HA   VAL  13           HA       VAL  13   2.178   4.585  -9.112
  107    HB   VAL  13           HB       VAL  13  -0.665   5.119 -10.014
  108   1HG1  VAL  13          1HG1      VAL  13   0.284   2.892 -10.559
  109   2HG1  VAL  13          3HG1      VAL  13   0.712   2.671  -8.865
  110   3HG1  VAL  13          2HG1      VAL  13  -0.982   2.770  -9.341
  111   1HG2  VAL  13          1HG2      VAL  13  -0.260   6.042  -7.746
  112   2HG2  VAL  13          3HG2      VAL  13  -1.299   4.620  -7.688
  113   3HG2  VAL  13          2HG2      VAL  13   0.401   4.489  -7.242
  114    H    ASN  14           H        ASN  14   1.595   6.962 -11.526
  115    HA   ASN  14           HA       ASN  14   1.256   5.364 -13.842
  116   1HB   ASN  14          2HB       ASN  14   1.026   7.819 -13.829
  117   2HB   ASN  14          1HB       ASN  14   2.754   7.991 -13.555
  118   1HD2  ASN  14          2HD2      ASN  14   1.570   7.863 -17.298
  119   2HD2  ASN  14          1HD2      ASN  14   0.666   8.420 -15.974
  120    H    ASP  15           H        ASP  15   4.398   6.996 -13.736
  121    HA   ASP  15           HA       ASP  15   6.176   5.020 -12.987
  122   1HB   ASP  15          2HB       ASP  15   6.800   4.008 -15.275
  123   2HB   ASP  15          1HB       ASP  15   5.365   3.359 -14.487
  124    H    LYS  16           H        LYS  16   6.071   7.864 -13.265
  125    HA   LYS  16           HA       LYS  16   8.014   8.503 -15.404
  126   1HB   LYS  16          2HB       LYS  16   5.936   9.940 -14.558
  127   2HB   LYS  16          1HB       LYS  16   7.117  10.528 -13.391
  128   1HG   LYS  16          2HG       LYS  16   8.413  10.507 -15.929
  129   2HG   LYS  16          1HG       LYS  16   6.829  11.239 -16.170
  130   1HD   LYS  16          2HD       LYS  16   7.513  12.497 -13.898
  131   2HD   LYS  16          1HD       LYS  16   9.129  12.195 -14.537
  132   1HE   LYS  16          2HE       LYS  16   8.058  13.101 -16.784
  133   2HE   LYS  16          1HE       LYS  16   6.927  13.879 -15.675
  134   1HZ   LYS  16          2HZ       LYS  16   9.082  14.567 -14.448
  135   2HZ   LYS  16          1HZ       LYS  16   9.831  14.269 -15.944
  136   3HZ   LYS  16          3HZ       LYS  16   8.599  15.429 -15.831
  137    H    SER  17           H        SER  17   7.834   9.392 -11.940
  138    HA   SER  17           HA       SER  17  10.780   9.426 -11.813
  139   1HB   SER  17          2HB       SER  17  10.321  10.173  -9.430
  140   2HB   SER  17          1HB       SER  17   9.668  11.232 -10.677
  141    HG   SER  17           HG       SER  17   8.381   9.891  -8.747
  142    H    ASN  18           H        ASN  18   8.066   7.487 -10.703
  143    HA   ASN  18           HA       ASN  18   9.917   5.679  -9.226
  144   1HB   ASN  18          2HB       ASN  18   6.890   5.539  -9.377
  145   2HB   ASN  18          1HB       ASN  18   7.942   4.717  -8.225
  146   1HD2  ASN  18          2HD2      ASN  18   6.657   8.412  -7.365
  147   2HD2  ASN  18          1HD2      ASN  18   6.006   7.468  -8.617
  148    H    GLU  19           H        GLU  19   9.822   5.872 -12.177
  149    HA   GLU  19           HA       GLU  19   8.359   3.706 -13.321
  150   1HB   GLU  19          2HB       GLU  19   9.656   5.658 -14.462
  151   2HB   GLU  19          1HB       GLU  19  11.044   4.583 -14.360
  152   1HG   GLU  19          2HG       GLU  19   8.660   3.206 -15.358
  153   2HG   GLU  19          1HG       GLU  19   9.117   4.571 -16.376
  154    H    LYS  20           H        LYS  20  11.258   3.744 -11.394
  155    HA   LYS  20           HA       LYS  20  11.870   0.935 -12.176
  156   1HB   LYS  20          2HB       LYS  20  13.440   3.191 -11.046
  157   2HB   LYS  20          1HB       LYS  20  13.858   1.583 -10.459
  158   1HG   LYS  20          2HG       LYS  20  13.663   1.063 -13.109
  159   2HG   LYS  20          1HG       LYS  20  14.179   2.748 -13.172
  160   1HD   LYS  20          2HD       LYS  20  15.574   0.583 -11.570
  161   2HD   LYS  20          1HD       LYS  20  16.101   1.150 -13.155
  162   1HE   LYS  20          2HE       LYS  20  15.922   3.527 -11.921
  163   2HE   LYS  20          1HE       LYS  20  16.240   2.519 -10.509
  164   1HZ   LYS  20          2HZ       LYS  20  18.147   1.570 -11.766
  165   2HZ   LYS  20          1HZ       LYS  20  17.893   2.750 -12.960
  166   3HZ   LYS  20          3HZ       LYS  20  18.317   3.217 -11.386
  167    H    PHE  21           H        PHE  21   9.561   1.695 -10.467
  168    HA   PHE  21           HA       PHE  21  10.168  -0.130  -8.230
  169   1HB   PHE  21          2HB       PHE  21   9.348   2.756  -7.841
  170   2HB   PHE  21          1HB       PHE  21   9.108   1.529  -6.598
  171    HD1  PHE  21           HD1      PHE  21  11.362  -0.115  -6.494
  172    HD2  PHE  21           HD2      PHE  21  11.236   4.064  -7.472
  173    HE1  PHE  21           HE1      PHE  21  13.732   0.116  -5.806
  174    HE2  PHE  21           HE2      PHE  21  13.606   4.297  -6.784
  175    HZ   PHE  21           HZ       PHE  21  14.855   2.322  -5.951
  176    H    ILE  22           H        ILE  22   7.529   2.231  -8.640
  177    HA   ILE  22           HA       ILE  22   5.597   0.003  -8.501
  178    HB   ILE  22           HB       ILE  22   5.259   2.058  -7.135
  179   1HG1  ILE  22          2HG1      ILE  22   3.063   1.899  -9.195
  180   2HG1  ILE  22          1HG1      ILE  22   3.388   0.546  -8.112
  181   1HG2  ILE  22          1HG2      ILE  22   6.167   3.612  -8.959
  182   2HG2  ILE  22          3HG2      ILE  22   4.593   3.451  -9.737
  183   3HG2  ILE  22          2HG2      ILE  22   4.712   4.160  -8.128
  184   1HD1  ILE  22          3HD1      ILE  22   3.370   2.605  -6.332
  185   2HD1  ILE  22          2HD1      ILE  22   2.208   3.197  -7.519
  186   3HD1  ILE  22          1HD1      ILE  22   1.945   1.643  -6.726
  187    H    HIS  23           H        HIS  23   3.898  -0.251 -10.083
  188    HA   HIS  23           HA       HIS  23   3.780   1.180 -12.554
  189   1HB   HIS  23          2HB       HIS  23   6.045  -0.113 -12.683
  190   2HB   HIS  23          1HB       HIS  23   5.037  -1.540 -12.918
  191    HD1  HIS  23           HD1      HIS  23   6.145  -1.556 -15.387
  192    HD2  HIS  23           HD2      HIS  23   3.544   1.601 -14.587
  193    HE1  HIS  23           HE1      HIS  23   5.523  -0.555 -17.629
  194    H    TRP  24           H        TRP  24   1.893   0.616 -13.598
  195    HA   TRP  24           HA       TRP  24   0.063  -1.160 -12.267
  196   1HB   TRP  24          2HB       TRP  24  -0.063   0.120 -15.012
  197   2HB   TRP  24          1HB       TRP  24  -1.399  -0.738 -14.243
  198    HD1  TRP  24           HD1      TRP  24   0.629   2.471 -14.024
  199    HE1  TRP  24           HE1      TRP  24  -0.579   4.115 -12.448
  200    HE3  TRP  24           HE3      TRP  24  -3.031  -0.588 -12.204
  201    HZ2  TRP  24           HZ2      TRP  24  -2.807   4.127 -10.650
  202    HZ3  TRP  24           HZ3      TRP  24  -4.681   0.263 -10.563
  203    HH2  TRP  24           HH2      TRP  24  -4.574   2.615  -9.784
  204    H    SER  25           H        SER  25  -1.163  -2.847 -13.725
  205    HA   SER  25           HA       SER  25   0.870  -4.797 -14.614
  206   1HB   SER  25          2HB       SER  25  -1.258  -5.219 -13.106
  207   2HB   SER  25          1HB       SER  25  -2.089  -5.321 -14.655
  208    HG   SER  25           HG       SER  25  -1.061  -7.306 -13.667
  209    H    THR  26           H        THR  26  -0.823  -6.192 -16.499
  210    HA   THR  26           HA       THR  26  -0.115  -4.926 -18.926
  211    HB   THR  26           HB       THR  26  -2.477  -6.789 -18.648
  212    HG1  THR  26           HG1      THR  26  -1.167  -8.274 -17.993
  213   1HG2  THR  26          1HG2      THR  26  -0.581  -5.940 -20.789
  214   2HG2  THR  26          3HG2      THR  26  -1.129  -7.617 -20.805
  215   3HG2  THR  26          2HG2      THR  26  -2.303  -6.304 -20.892
  216    H    SER  27           H        SER  27  -1.238  -3.611 -20.365
  217    HA   SER  27           HA       SER  27  -2.638  -1.818 -20.931
  218   1HB   SER  27          2HB       SER  27  -5.142  -2.446 -20.567
  219   2HB   SER  27          1HB       SER  27  -4.178  -3.397 -21.691
  220    HG   SER  27           HG       SER  27  -5.303  -4.085 -19.281
  221    H    GLY  28           H        GLY  28  -1.607  -1.853 -18.100
  222   1HA   GLY  28          2HA       GLY  28  -1.912  -0.638 -16.121
  223   2HA   GLY  28          1HA       GLY  28  -2.830   0.484 -17.122
  224    H    GLU  29           H        GLU  29  -3.058  -2.134 -14.816
  225    HA   GLU  29           HA       GLU  29  -5.990  -1.614 -14.640
  226   1HB   GLU  29          2HB       GLU  29  -5.543  -3.735 -15.929
  227   2HB   GLU  29          1HB       GLU  29  -4.779  -4.386 -14.480
  228   1HG   GLU  29          2HG       GLU  29  -6.843  -5.083 -13.869
  229   2HG   GLU  29          1HG       GLU  29  -7.193  -3.391 -13.522
  230    H    SER  30           H        SER  30  -3.641  -3.763 -12.979
  231    HA   SER  30           HA       SER  30  -4.585  -2.571 -10.408
  232   1HB   SER  30          2HB       SER  30  -3.000  -5.095 -10.441
  233   2HB   SER  30          1HB       SER  30  -4.343  -4.624  -9.402
  234    HG   SER  30           HG       SER  30  -4.389  -5.560 -12.072
  235    H    ILE  31           H        ILE  31  -2.839  -2.595  -8.659
  236    HA   ILE  31           HA       ILE  31  -0.388  -1.372  -9.794
  237    HB   ILE  31           HB       ILE  31  -1.383  -1.485  -6.925
  238   1HG1  ILE  31          2HG1      ILE  31  -1.514   0.744  -8.991
  239   2HG1  ILE  31          1HG1      ILE  31  -2.886  -0.234  -8.470
  240   1HG2  ILE  31          3HG2      ILE  31   0.896  -0.035  -8.302
  241   2HG2  ILE  31          2HG2      ILE  31   0.252   0.491  -6.747
  242   3HG2  ILE  31          1HG2      ILE  31   0.980  -1.107  -6.903
  243   1HD1  ILE  31          2HD1      ILE  31  -2.089   0.568  -6.058
  244   2HD1  ILE  31          1HD1      ILE  31  -1.407   1.902  -6.988
  245   3HD1  ILE  31          3HD1      ILE  31  -3.140   1.577  -7.053
  246    H    VAL  32           H        VAL  32   1.404  -2.616  -9.980
  247    HA   VAL  32           HA       VAL  32   1.622  -5.051  -8.266
  248    HB   VAL  32           HB       VAL  32   3.168  -4.412 -10.794
  249   1HG1  VAL  32          1HG1      VAL  32   2.987  -6.706  -8.895
  250   2HG1  VAL  32          3HG1      VAL  32   3.147  -7.089 -10.609
  251   3HG1  VAL  32          2HG1      VAL  32   4.375  -6.111  -9.805
  252   1HG2  VAL  32          1HG2      VAL  32   0.695  -4.563 -11.186
  253   2HG2  VAL  32          3HG2      VAL  32   1.596  -5.865 -11.964
  254   3HG2  VAL  32          2HG2      VAL  32   0.717  -6.174 -10.467
  255    H    VAL  33           H        VAL  33   3.238  -5.146  -6.776
  256    HA   VAL  33           HA       VAL  33   5.295  -2.974  -6.837
  257    HB   VAL  33           HB       VAL  33   4.205  -4.516  -4.461
  258   1HG1  VAL  33          3HG1      VAL  33   6.259  -2.304  -4.719
  259   2HG1  VAL  33          2HG1      VAL  33   5.451  -2.679  -3.197
  260   3HG1  VAL  33          1HG1      VAL  33   6.469  -3.889  -3.978
  261   1HG2  VAL  33          1HG2      VAL  33   2.699  -2.795  -5.630
  262   2HG2  VAL  33          3HG2      VAL  33   2.989  -2.540  -3.910
  263   3HG2  VAL  33          2HG2      VAL  33   3.863  -1.580  -5.104
  264    HA   PRO  34           HA       PRO  34   7.620  -6.831  -7.492
  265   1HB   PRO  34          2HB       PRO  34   9.744  -5.668  -8.784
  266   2HB   PRO  34          1HB       PRO  34   8.277  -6.211  -9.617
  267   1HG   PRO  34          2HG       PRO  34   9.152  -3.441  -8.971
  268   2HG   PRO  34          1HG       PRO  34   8.094  -4.012 -10.272
  269   1HD   PRO  34          2HD       PRO  34   7.254  -2.789  -7.867
  270   2HD   PRO  34          1HD       PRO  34   6.219  -3.644  -9.026
  271    H    ASN  35           H        ASN  35   8.611  -3.656  -6.332
  272    HA   ASN  35           HA       ASN  35  10.388  -4.993  -4.339
  273   1HB   ASN  35          2HB       ASN  35  10.957  -2.538  -6.014
  274   2HB   ASN  35          1HB       ASN  35  11.829  -2.878  -4.518
  275   1HD2  ASN  35          2HD2      ASN  35  13.078  -4.668  -7.830
  276   2HD2  ASN  35          1HD2      ASN  35  12.134  -3.257  -7.787
  277    H    ARG  36           H        ARG  36   8.769  -4.798  -2.737
  278    HA   ARG  36           HA       ARG  36   7.479  -2.226  -2.211
  279   1HB   ARG  36          2HB       ARG  36   6.369  -4.438  -1.792
  280   2HB   ARG  36          1HB       ARG  36   7.525  -4.723  -0.492
  281   1HG   ARG  36          2HG       ARG  36   6.659  -2.258   0.209
  282   2HG   ARG  36          1HG       ARG  36   5.210  -2.864  -0.591
  283   1HD   ARG  36          2HD       ARG  36   5.149  -3.421   1.800
  284   2HD   ARG  36          1HD       ARG  36   5.288  -4.891   0.835
  285    HE   ARG  36           HE       ARG  36   7.896  -3.908   1.602
  286   1HH1  ARG  36          2HH1      ARG  36   7.579  -6.741   1.634
  287   2HH1  ARG  36          1HH1      ARG  36   7.320  -7.143   3.300
  288   1HH2  ARG  36          1HH2      ARG  36   6.489  -3.907   4.228
  289   2HH2  ARG  36          2HH2      ARG  36   6.704  -5.538   4.767
  290    H    GLU  37           H        GLU  37  10.268  -3.982  -1.031
  291    HA   GLU  37           HA       GLU  37  10.591  -2.461   1.410
  292   1HB   GLU  37          2HB       GLU  37  12.860  -3.451   1.464
  293   2HB   GLU  37          1HB       GLU  37  11.627  -4.671   1.149
  294   1HG   GLU  37          2HG       GLU  37  12.122  -4.593  -1.251
  295   2HG   GLU  37          1HG       GLU  37  13.299  -3.307  -0.986
  296    H    ARG  38           H        ARG  38  11.742  -2.062  -1.909
  297    HA   ARG  38           HA       ARG  38  13.404   0.257  -1.129
  298   1HB   ARG  38          2HB       ARG  38  12.928  -1.234  -3.706
  299   2HB   ARG  38          1HB       ARG  38  13.761   0.320  -3.691
  300   1HG   ARG  38          2HG       ARG  38  15.638  -0.545  -2.727
  301   2HG   ARG  38          1HG       ARG  38  14.720  -1.617  -1.669
  302   1HD   ARG  38          2HD       ARG  38  14.233  -3.057  -3.677
  303   2HD   ARG  38          1HD       ARG  38  15.350  -2.050  -4.600
  304    HE   ARG  38           HE       ARG  38  16.955  -2.765  -2.567
  305   1HH1  ARG  38          2HH1      ARG  38  16.307  -4.988  -1.374
  306   2HH1  ARG  38          1HH1      ARG  38  16.398  -6.314  -2.484
  307   1HH2  ARG  38          1HH2      ARG  38  16.355  -4.292  -5.305
  308   2HH2  ARG  38          2HH2      ARG  38  16.426  -5.919  -4.714
  309    H    PHE  39           H        PHE  39  10.292  -0.427  -2.574
  310    HA   PHE  39           HA       PHE  39   9.788   2.065  -3.847
  311   1HB   PHE  39          2HB       PHE  39   8.297   0.266  -4.305
  312   2HB   PHE  39          1HB       PHE  39   7.993  -0.023  -2.597
  313    HD1  PHE  39           HD1      PHE  39   7.229   2.156  -5.480
  314    HD2  PHE  39           HD2      PHE  39   6.441   1.371  -1.331
  315    HE1  PHE  39           HE1      PHE  39   5.255   3.652  -5.574
  316    HE2  PHE  39           HE2      PHE  39   4.466   2.867  -1.426
  317    HZ   PHE  39           HZ       PHE  39   3.873   4.008  -3.546
  318    H    VAL  40           H        VAL  40   8.756   1.013  -0.575
  319    HA   VAL  40           HA       VAL  40   7.638   3.454   0.257
  320    HB   VAL  40           HB       VAL  40   9.154   1.494   2.003
  321   1HG1  VAL  40          1HG1      VAL  40   6.993   3.547   2.553
  322   2HG1  VAL  40          3HG1      VAL  40   7.458   2.290   3.700
  323   3HG1  VAL  40          2HG1      VAL  40   8.629   3.516   3.213
  324   1HG2  VAL  40          2HG2      VAL  40   6.361   1.488   0.853
  325   2HG2  VAL  40          1HG2      VAL  40   7.557   0.192   0.831
  326   3HG2  VAL  40          3HG2      VAL  40   6.744   0.614   2.338
  327    H    GLN  41           H        GLN  41  11.041   2.420   0.410
  328    HA   GLN  41           HA       GLN  41  11.885   4.786   1.868
  329   1HB   GLN  41          2HB       GLN  41  13.009   2.328   1.340
  330   2HB   GLN  41          1HB       GLN  41  13.951   3.392   0.297
  331   1HG   GLN  41          2HG       GLN  41  14.795   4.621   2.079
  332   2HG   GLN  41          1HG       GLN  41  13.422   4.245   3.121
  333   1HE2  GLN  41          2HE2      GLN  41  15.252   1.688   4.681
  334   2HE2  GLN  41          1HE2      GLN  41  14.161   2.980   4.827
  335    H    GLU  42           H        GLU  42  11.383   4.112  -1.518
  336    HA   GLU  42           HA       GLU  42  12.678   6.735  -2.151
  337   1HB   GLU  42          2HB       GLU  42  12.683   4.131  -3.661
  338   2HB   GLU  42          1HB       GLU  42  12.930   5.661  -4.505
  339   1HG   GLU  42          2HG       GLU  42  14.881   6.165  -3.229
  340   2HG   GLU  42          1HG       GLU  42  14.533   4.890  -2.061
  341    H    VAL  43           H        VAL  43   9.779   5.960  -1.533
  342    HA   VAL  43           HA       VAL  43   8.635   7.471  -3.796
  343    HB   VAL  43           HB       VAL  43   7.477   4.766  -3.048
  344   1HG1  VAL  43          2HG1      VAL  43   6.700   7.018  -4.855
  345   2HG1  VAL  43          1HG1      VAL  43   6.395   5.374  -5.415
  346   3HG1  VAL  43          3HG1      VAL  43   5.678   5.939  -3.906
  347   1HG2  VAL  43          3HG2      VAL  43   9.149   5.640  -5.423
  348   2HG2  VAL  43          2HG2      VAL  43   9.582   4.427  -4.223
  349   3HG2  VAL  43          1HG2      VAL  43   8.258   4.121  -5.347
  350    H    LEU  44           H        LEU  44   8.132   5.988  -0.592
  351    HA   LEU  44           HA       LEU  44   5.585   7.257  -0.143
  352   1HB   LEU  44          2HB       LEU  44   6.622   5.230   1.073
  353   2HB   LEU  44          1HB       LEU  44   7.474   6.425   2.051
  354    HG   LEU  44           HG       LEU  44   5.292   7.472   2.628
  355   1HD1  LEU  44          2HD1      LEU  44   4.346   5.381   0.722
  356   2HD1  LEU  44          1HD1      LEU  44   3.337   5.695   2.134
  357   3HD1  LEU  44          3HD1      LEU  44   3.717   7.003   1.014
  358   1HD2  LEU  44          1HD2      LEU  44   6.437   5.451   3.859
  359   2HD2  LEU  44          3HD2      LEU  44   4.796   5.921   4.308
  360   3HD2  LEU  44          2HD2      LEU  44   5.058   4.538   3.245
  361    HA   PRO  45           HA       PRO  45   7.965  10.575   2.135
  362   1HB   PRO  45          2HB       PRO  45  10.666  10.895   1.784
  363   2HB   PRO  45          1HB       PRO  45   9.952   9.908   3.072
  364   1HG   PRO  45          2HG       PRO  45  11.270   9.037   0.542
  365   2HG   PRO  45          1HG       PRO  45  11.168   8.203   2.103
  366   1HD   PRO  45          2HD       PRO  45   9.600   7.614  -0.149
  367   2HD   PRO  45          1HD       PRO  45   9.248   7.117   1.515
  368    H    LYS  46           H        LYS  46   8.746   9.815  -1.160
  369    HA   LYS  46           HA       LYS  46   9.559  12.500  -1.931
  370   1HB   LYS  46          2HB       LYS  46   9.941  10.169  -3.123
  371   2HB   LYS  46          1HB       LYS  46   8.410  10.562  -3.901
  372   1HG   LYS  46          2HG       LYS  46   9.355  12.156  -5.198
  373   2HG   LYS  46          1HG       LYS  46  10.243  12.850  -3.842
  374   1HD   LYS  46          2HD       LYS  46  12.044  11.331  -4.101
  375   2HD   LYS  46          1HD       LYS  46  11.098  10.258  -5.135
  376   1HE   LYS  46          2HE       LYS  46  12.412  11.398  -6.700
  377   2HE   LYS  46          1HE       LYS  46  10.927  12.348  -6.704
  378   1HZ   LYS  46          3HZ       LYS  46  12.210  13.582  -4.768
  379   2HZ   LYS  46          2HZ       LYS  46  13.559  13.014  -5.630
  380   3HZ   LYS  46          1HZ       LYS  46  12.415  14.007  -6.397
  381    H    TYR  47           H        TYR  47   6.552  11.322  -0.993
  382    HA   TYR  47           HA       TYR  47   5.208  13.513  -2.500
  383   1HB   TYR  47          2HB       TYR  47   4.233  10.660  -2.185
  384   2HB   TYR  47          1HB       TYR  47   3.220  11.988  -2.756
  385    HD1  TYR  47           HD2      TYR  47   6.402  10.147  -3.467
  386    HD2  TYR  47           HD1      TYR  47   3.300  12.699  -5.004
  387    HE1  TYR  47           HE2      TYR  47   7.309   9.877  -5.757
  388    HE2  TYR  47           HE1      TYR  47   4.215  12.429  -7.293
  389    HH   TYR  47           HH       TYR  47   6.344  11.850  -8.362
  390    H    PHE  48           H        PHE  48   4.961  11.193   0.202
  391    HA   PHE  48           HA       PHE  48   3.088  13.038   1.583
  392   1HB   PHE  48          2HB       PHE  48   4.016  10.269   2.404
  393   2HB   PHE  48          1HB       PHE  48   2.693  11.190   3.122
  394    HD1  PHE  48           HD2      PHE  48   3.812   9.314   0.149
  395    HD2  PHE  48           HD1      PHE  48   0.561  11.449   1.974
  396    HE1  PHE  48           HE2      PHE  48   2.260   8.410  -1.560
  397    HE2  PHE  48           HE1      PHE  48  -0.992  10.545   0.263
  398    HZ   PHE  48           HZ       PHE  48  -0.143   9.024  -1.502
  399    H    LYS  49           H        LYS  49   5.892  11.062   2.593
  400    HA   LYS  49           HA       LYS  49   7.822  11.673   3.770
  401   1HB   LYS  49          2HB       LYS  49   8.514  13.825   3.787
  402   2HB   LYS  49          1HB       LYS  49   7.066  14.158   2.855
  403   1HG   LYS  49          2HG       LYS  49   5.851  14.737   4.932
  404   2HG   LYS  49          1HG       LYS  49   7.285  14.353   5.879
  405   1HD   LYS  49          2HD       LYS  49   7.206  16.754   5.560
  406   2HD   LYS  49          1HD       LYS  49   8.535  16.109   4.599
  407   1HE   LYS  49          2HE       LYS  49   7.623  17.003   2.746
  408   2HE   LYS  49          1HE       LYS  49   6.171  16.030   2.986
  409   1HZ   LYS  49          3HZ       LYS  49   6.718  18.658   4.257
  410   2HZ   LYS  49          2HZ       LYS  49   5.666  18.392   2.950
  411   3HZ   LYS  49          1HZ       LYS  49   5.318  17.725   4.473
  412    H    HIS  50           H        HIS  50   4.810  13.000   5.178
  413    HA   HIS  50           HA       HIS  50   5.677  11.920   7.811
  414   1HB   HIS  50          2HB       HIS  50   3.611  13.964   6.983
  415   2HB   HIS  50          1HB       HIS  50   3.642  13.282   8.609
  416    HD1  HIS  50           HD1      HIS  50   4.651  16.229   7.165
  417    HD2  HIS  50           HD2      HIS  50   6.787  13.380   9.332
  418    HE1  HIS  50           HE1      HIS  50   6.707  17.406   8.064
  419    H    SER  51           H        SER  51   5.095   9.808   6.397
  420    HA   SER  51           HA       SER  51   2.595   8.813   7.540
  421   1HB   SER  51          2HB       SER  51   1.816   9.922   5.448
  422   2HB   SER  51          1HB       SER  51   2.906   8.893   4.524
  423    HG   SER  51           HG       SER  51   0.629   8.192   6.042
  424    H    ASN  52           H        ASN  52   2.358   6.447   7.111
  425    HA   ASN  52           HA       ASN  52   5.011   5.189   6.519
  426   1HB   ASN  52          2HB       ASN  52   2.844   4.202   8.401
  427   2HB   ASN  52          1HB       ASN  52   4.409   3.436   8.128
  428   1HD2  ASN  52          2HD2      ASN  52   6.173   6.221   9.765
  429   2HD2  ASN  52          1HD2      ASN  52   6.287   5.325   8.327
  430    H    PHE  53           H        PHE  53   4.833   2.950   5.618
  431    HA   PHE  53           HA       PHE  53   3.164   2.808   3.342
  432   1HB   PHE  53          2HB       PHE  53   3.720   0.333   3.366
  433   2HB   PHE  53          1HB       PHE  53   5.116   1.409   3.435
  434    HD1  PHE  53           HD2      PHE  53   2.865  -0.728   5.494
  435    HD2  PHE  53           HD1      PHE  53   6.585   1.412   5.313
  436    HE1  PHE  53           HE2      PHE  53   3.582  -1.794   7.615
  437    HE2  PHE  53           HE1      PHE  53   7.304   0.343   7.430
  438    HZ   PHE  53           HZ       PHE  53   5.802  -1.261   8.582
  439    H    ALA  54           H        ALA  54   2.590   1.680   6.637
  440    HA   ALA  54           HA       ALA  54   0.272   0.089   6.086
  441   1HB   ALA  54          1HB       ALA  54   1.476   1.371   8.488
  442   2HB   ALA  54          3HB       ALA  54  -0.232   0.945   8.591
  443   3HB   ALA  54          2HB       ALA  54   0.967  -0.300   8.241
  444    H    SER  55           H        SER  55   0.678   3.539   6.861
  445    HA   SER  55           HA       SER  55  -2.099   4.202   7.010
  446   1HB   SER  55          2HB       SER  55   0.178   5.597   7.439
  447   2HB   SER  55          1HB       SER  55  -0.240   6.210   5.842
  448    HG   SER  55           HG       SER  55  -1.416   6.658   8.262
  449    H    PHE  56           H        PHE  56   0.177   4.187   4.272
  450    HA   PHE  56           HA       PHE  56  -1.582   5.232   2.300
  451   1HB   PHE  56          2HB       PHE  56   0.943   4.736   2.125
  452   2HB   PHE  56          1HB       PHE  56   0.464   3.083   1.742
  453    HD1  PHE  56           HD2      PHE  56  -1.280   2.767  -0.153
  454    HD2  PHE  56           HD1      PHE  56   0.984   6.369   0.437
  455    HE1  PHE  56           HE2      PHE  56  -1.740   3.441  -2.497
  456    HE2  PHE  56           HE1      PHE  56   0.526   7.042  -1.904
  457    HZ   PHE  56           HZ       PHE  56  -0.837   5.578  -3.370
  458    H    VAL  57           H        VAL  57  -1.171   1.945   3.548
  459    HA   VAL  57           HA       VAL  57  -2.826   0.623   1.614
  460    HB   VAL  57           HB       VAL  57  -2.382  -0.143   4.517
  461   1HG1  VAL  57          3HG1      VAL  57  -3.481  -1.524   2.091
  462   2HG1  VAL  57          2HG1      VAL  57  -2.599  -2.472   3.290
  463   3HG1  VAL  57          1HG1      VAL  57  -4.046  -1.581   3.762
  464   1HG2  VAL  57          3HG2      VAL  57  -0.388   0.252   2.710
  465   2HG2  VAL  57          2HG2      VAL  57  -0.321  -0.980   3.969
  466   3HG2  VAL  57          1HG2      VAL  57  -0.819  -1.416   2.336
  467    H    ARG  58           H        ARG  58  -3.536   2.261   4.682
  468    HA   ARG  58           HA       ARG  58  -6.291   1.467   4.855
  469   1HB   ARG  58          2HB       ARG  58  -4.610   2.812   6.510
  470   2HB   ARG  58          1HB       ARG  58  -5.557   4.158   5.875
  471   1HG   ARG  58          2HG       ARG  58  -7.479   3.469   6.904
  472   2HG   ARG  58          1HG       ARG  58  -7.113   1.760   6.672
  473   1HD   ARG  58          2HD       ARG  58  -6.701   1.801   8.914
  474   2HD   ARG  58          1HD       ARG  58  -5.141   2.458   8.419
  475    HE   ARG  58           HE       ARG  58  -7.242   4.472   8.811
  476   1HH1  ARG  58          2HH1      ARG  58  -4.100   4.382   9.175
  477   2HH1  ARG  58          1HH1      ARG  58  -4.012   4.724  10.870
  478   1HH2  ARG  58          1HH2      ARG  58  -7.387   4.164  11.430
  479   2HH2  ARG  58          2HH2      ARG  58  -5.872   4.601  12.147
  480    H    GLN  59           H        GLN  59  -4.710   4.283   3.339
  481    HA   GLN  59           HA       GLN  59  -7.089   5.666   2.591
  482   1HB   GLN  59          2HB       GLN  59  -4.284   5.615   1.502
  483   2HB   GLN  59          1HB       GLN  59  -5.545   6.520   0.667
  484   1HG   GLN  59          2HG       GLN  59  -4.737   8.152   2.101
  485   2HG   GLN  59          1HG       GLN  59  -6.024   7.466   3.092
  486   1HE2  GLN  59          2HE2      GLN  59  -2.109   6.744   4.095
  487   2HE2  GLN  59          1HE2      GLN  59  -2.485   7.309   2.539
  488    H    LEU  60           H        LEU  60  -5.251   3.116   0.924
  489    HA   LEU  60           HA       LEU  60  -6.724   3.177  -1.517
  490   1HB   LEU  60          2HB       LEU  60  -5.264   0.913  -0.131
  491   2HB   LEU  60          1HB       LEU  60  -5.927   0.793  -1.762
  492    HG   LEU  60           HG       LEU  60  -4.000   2.976  -0.935
  493   1HD1  LEU  60          3HD1      LEU  60  -3.182   0.484  -0.803
  494   2HD1  LEU  60          2HD1      LEU  60  -3.205   0.577  -2.564
  495   3HD1  LEU  60          1HD1      LEU  60  -2.185   1.677  -1.635
  496   1HD2  LEU  60          3HD2      LEU  60  -5.644   2.758  -3.137
  497   2HD2  LEU  60          2HD2      LEU  60  -4.140   3.676  -3.097
  498   3HD2  LEU  60          1HD2      LEU  60  -4.151   2.030  -3.729
  499    H    ASN  61           H        ASN  61  -7.187   1.120   1.374
  500    HA   ASN  61           HA       ASN  61  -9.573  -0.138   0.338
  501   1HB   ASN  61          2HB       ASN  61  -8.129  -0.052   2.945
  502   2HB   ASN  61          1HB       ASN  61  -9.819  -0.556   2.972
  503   1HD2  ASN  61          2HD2      ASN  61  -7.014  -2.960   1.212
  504   2HD2  ASN  61          1HD2      ASN  61  -6.616  -1.372   1.657
  505    H    MET  62           H        MET  62  -9.032   2.957   1.770
  506    HA   MET  62           HA       MET  62 -11.801   3.187   2.755
  507   1HB   MET  62          2HB       MET  62  -9.684   4.208   3.855
  508   2HB   MET  62          1HB       MET  62  -9.818   5.448   2.610
  509   1HG   MET  62          2HG       MET  62 -11.575   6.437   3.634
  510   2HG   MET  62          1HG       MET  62 -12.397   4.899   3.883
  511   1HE   MET  62          2HE       MET  62 -12.661   7.206   5.764
  512   2HE   MET  62          1HE       MET  62 -11.605   7.310   7.171
  513   3HE   MET  62          3HE       MET  62 -11.034   7.862   5.591
  514    H    TYR  63           H        TYR  63 -10.051   3.890  -0.150
  515    HA   TYR  63           HA       TYR  63 -12.135   5.832  -1.013
  516   1HB   TYR  63          2HB       TYR  63  -9.409   5.094  -2.077
  517   2HB   TYR  63          1HB       TYR  63 -10.554   6.027  -3.043
  518    HD1  TYR  63           HD2      TYR  63 -11.812   7.926  -1.474
  519    HD2  TYR  63           HD1      TYR  63  -7.841   6.381  -0.944
  520    HE1  TYR  63           HE2      TYR  63 -11.178   9.977  -0.231
  521    HE2  TYR  63           HE1      TYR  63  -7.208   8.429   0.302
  522    HH   TYR  63           HH       TYR  63  -9.201  10.434   1.677
  523    H    GLY  64           H        GLY  64 -10.583   2.810  -2.123
  524   1HA   GLY  64          2HA       GLY  64 -12.836   1.422  -2.911
  525   2HA   GLY  64          1HA       GLY  64 -12.501   2.469  -4.292
  526    H    TRP  65           H        TRP  65 -10.693   0.303  -2.086
  527    HA   TRP  65           HA       TRP  65  -9.540  -1.072  -4.436
  528   1HB   TRP  65          2HB       TRP  65  -7.863   0.325  -2.327
  529   2HB   TRP  65          1HB       TRP  65  -7.226  -0.831  -3.496
  530    HD1  TRP  65           HD1      TRP  65  -8.316   2.748  -3.130
  531    HE1  TRP  65           HE1      TRP  65  -7.956   3.992  -5.362
  532    HE3  TRP  65           HE3      TRP  65  -7.259  -1.207  -6.183
  533    HZ2  TRP  65           HZ2      TRP  65  -7.306   3.386  -8.082
  534    HZ3  TRP  65           HZ3      TRP  65  -6.775  -0.847  -8.586
  535    HH2  TRP  65           HH2      TRP  65  -6.797   1.442  -9.539
  536    H    HIS  66           H        HIS  66  -8.503  -3.120  -3.798
  537    HA   HIS  66           HA       HIS  66  -9.201  -4.018  -1.040
  538   1HB   HIS  66          2HB       HIS  66  -9.867  -5.387  -3.656
  539   2HB   HIS  66          1HB       HIS  66  -9.890  -6.227  -2.104
  540    HD1  HIS  66           HD1      HIS  66 -11.864  -5.808  -0.564
  541    HD2  HIS  66           HD2      HIS  66 -11.823  -3.232  -3.841
  542    HE1  HIS  66           HE1      HIS  66 -14.064  -4.555  -0.518
  543    H    LYS  67           H        LYS  67  -7.485  -4.953  -0.075
  544    HA   LYS  67           HA       LYS  67  -5.076  -5.547  -1.660
  545   1HB   LYS  67          2HB       LYS  67  -4.065  -6.006   0.610
  546   2HB   LYS  67          1HB       LYS  67  -4.715  -4.377   0.424
  547   1HG   LYS  67          2HG       LYS  67  -6.506  -4.780   1.836
  548   2HG   LYS  67          1HG       LYS  67  -6.529  -6.507   1.487
  549   1HD   LYS  67          2HD       LYS  67  -4.458  -6.809   2.784
  550   2HD   LYS  67          1HD       LYS  67  -4.412  -5.079   3.122
  551   1HE   LYS  67          2HE       LYS  67  -6.984  -6.349   3.795
  552   2HE   LYS  67          1HE       LYS  67  -5.619  -6.962   4.730
  553   1HZ   LYS  67          3HZ       LYS  67  -6.089  -4.064   4.363
  554   2HZ   LYS  67          2HZ       LYS  67  -6.810  -4.937   5.630
  555   3HZ   LYS  67          1HZ       LYS  67  -5.118  -4.834   5.520
  556    H    VAL  68           H        VAL  68  -6.334  -7.366  -2.757
  557    HA   VAL  68           HA       VAL  68  -6.491  -9.827  -1.095
  558    HB   VAL  68           HB       VAL  68  -7.623 -10.803  -3.091
  559   1HG1  VAL  68          2HG1      VAL  68  -8.813  -9.483  -1.248
  560   2HG1  VAL  68          1HG1      VAL  68  -8.864  -8.137  -2.387
  561   3HG1  VAL  68          3HG1      VAL  68  -9.686  -9.649  -2.773
  562   1HG2  VAL  68          2HG2      VAL  68  -6.460  -8.509  -4.374
  563   2HG2  VAL  68          1HG2      VAL  68  -7.368  -9.829  -5.108
  564   3HG2  VAL  68          3HG2      VAL  68  -8.212  -8.395  -4.527
  565    H    GLN  69           H        GLN  69  -4.863 -11.305  -1.204
  566    HA   GLN  69           HA       GLN  69  -2.873 -11.011  -3.417
  567   1HB   GLN  69          2HB       GLN  69  -2.633 -11.851  -0.538
  568   2HB   GLN  69          1HB       GLN  69  -1.426 -12.367  -1.716
  569   1HG   GLN  69          2HG       GLN  69  -0.540 -10.281  -1.914
  570   2HG   GLN  69          1HG       GLN  69  -2.120  -9.501  -1.861
  571   1HE2  GLN  69          2HE2      GLN  69  -2.140  -9.584   1.821
  572   2HE2  GLN  69          1HE2      GLN  69  -3.178 -10.022   0.551
  573    H    ASP  70           H        ASP  70  -5.308 -12.518  -3.724
  574    HA   ASP  70           HA       ASP  70  -5.855 -14.500  -4.864
  575   1HB   ASP  70          2HB       ASP  70  -3.099 -14.620  -5.018
  576   2HB   ASP  70          1HB       ASP  70  -3.489 -16.098  -4.139
  577    H    VAL  71           H        VAL  71  -3.858 -15.488  -2.047
  578    HA   VAL  71           HA       VAL  71  -4.437 -16.698  -0.136
  579    HB   VAL  71           HB       VAL  71  -7.331 -16.157  -0.841
  580   1HG1  VAL  71          3HG1      VAL  71  -5.784 -16.944   1.615
  581   2HG1  VAL  71          2HG1      VAL  71  -7.312 -16.079   1.779
  582   3HG1  VAL  71          1HG1      VAL  71  -7.268 -17.643   0.966
  583   1HG2  VAL  71          3HG2      VAL  71  -5.181 -14.323   0.060
  584   2HG2  VAL  71          2HG2      VAL  71  -6.707 -13.957  -0.744
  585   3HG2  VAL  71          1HG2      VAL  71  -6.674 -14.243   0.996
  586    H    LYS  72           H        LYS  72  -3.708 -18.648  -1.033
  587    HA   LYS  72           HA       LYS  72  -5.662 -20.741  -1.276
  588   1HB   LYS  72          2HB       LYS  72  -4.744 -19.404  -3.750
  589   2HB   LYS  72          1HB       LYS  72  -4.588 -21.159  -3.770
  590   1HG   LYS  72          2HG       LYS  72  -7.106 -20.760  -2.652
  591   2HG   LYS  72          1HG       LYS  72  -7.005 -19.504  -3.885
  592   1HD   LYS  72          2HD       LYS  72  -5.995 -22.120  -4.787
  593   2HD   LYS  72          1HD       LYS  72  -7.703 -22.134  -4.358
  594   1HE   LYS  72          2HE       LYS  72  -7.736 -21.506  -6.622
  595   2HE   LYS  72          1HE       LYS  72  -7.844 -19.958  -5.782
  596   1HZ   LYS  72          1HZ       LYS  72  -5.293 -21.163  -6.700
  597   2HZ   LYS  72          3HZ       LYS  72  -6.174 -20.030  -7.602
  598   3HZ   LYS  72          2HZ       LYS  72  -5.530 -19.595  -6.091
  599    H    SER  73           H        SER  73  -2.501 -20.079  -2.812
  600    HA   SER  73           HA       SER  73  -1.422 -22.559  -1.616
  601   1HB   SER  73          2HB       SER  73  -0.990 -21.887  -4.030
  602   2HB   SER  73          1HB       SER  73  -0.002 -20.568  -3.408
  603    HG   SER  73           HG       SER  73   1.280 -22.382  -3.823
  604    H    GLY  74           H        GLY  74  -1.793 -21.331   0.545
  605   1HA   GLY  74          2HA       GLY  74   0.247 -19.305   1.177
  606   2HA   GLY  74          1HA       GLY  74  -1.000 -19.902   2.275
  607    H    SER  75           H        SER  75   1.947 -21.010   0.605
  608    HA   SER  75           HA       SER  75   2.645 -22.522   3.085
  609   1HB   SER  75          2HB       SER  75   3.669 -24.260   1.555
  610   2HB   SER  75          1HB       SER  75   1.910 -24.186   1.513
  611    HG   SER  75           HG       SER  75   1.979 -23.350  -0.452
  612    H    MET  76           H        MET  76   3.845 -21.006   0.089
  613    HA   MET  76           HA       MET  76   6.391 -20.426   1.544
  614   1HB   MET  76          2HB       MET  76   6.682 -22.270  -0.131
  615   2HB   MET  76          1HB       MET  76   6.167 -21.150  -1.393
  616   1HG   MET  76          2HG       MET  76   8.055 -19.721  -1.019
  617   2HG   MET  76          1HG       MET  76   8.481 -20.567   0.468
  618   1HE   MET  76          2HE       MET  76   9.612 -19.889  -2.784
  619   2HE   MET  76          1HE       MET  76   9.810 -21.371  -3.717
  620   3HE   MET  76          3HE       MET  76   8.193 -20.730  -3.399
  621    H    LEU  77           H        LEU  77   4.820 -19.600  -1.572
  622    HA   LEU  77           HA       LEU  77   5.866 -16.958  -1.712
  623   1HB   LEU  77          2HB       LEU  77   3.955 -16.557  -3.317
  624   2HB   LEU  77          1HB       LEU  77   4.935 -17.971  -3.692
  625    HG   LEU  77           HG       LEU  77   2.743 -18.601  -1.854
  626   1HD1  LEU  77          2HD1      LEU  77   1.964 -16.681  -3.581
  627   2HD1  LEU  77          1HD1      LEU  77   1.738 -18.098  -4.607
  628   3HD1  LEU  77          3HD1      LEU  77   0.896 -17.986  -3.063
  629   1HD2  LEU  77          1HD2      LEU  77   4.203 -19.760  -4.097
  630   2HD2  LEU  77          3HD2      LEU  77   3.307 -20.568  -2.813
  631   3HD2  LEU  77          2HD2      LEU  77   2.470 -20.025  -4.265
  632    H    SER  78           H        SER  78   3.914 -15.123  -1.953
  633    HA   SER  78           HA       SER  78   2.497 -13.691  -0.758
  634   1HB   SER  78          2HB       SER  78   1.692 -15.982   1.018
  635   2HB   SER  78          1HB       SER  78   0.718 -14.630   0.445
  636    HG   SER  78           HG       SER  78   1.077 -17.054  -0.648
  637    H    ASN  79           H        ASN  79   3.785 -12.336   0.375
  638    HA   ASN  79           HA       ASN  79   4.626 -11.333   2.329
  639   1HB   ASN  79          2HB       ASN  79   3.112 -13.166   3.528
  640   2HB   ASN  79          1HB       ASN  79   4.684 -13.879   3.892
  641   1HD2  ASN  79          2HD2      ASN  79   5.688 -11.199   6.051
  642   2HD2  ASN  79          1HD2      ASN  79   6.275 -12.442   5.055
  643    H    ASN  80           H        ASN  80   5.864 -14.688   1.912
  644    HA   ASN  80           HA       ASN  80   8.511 -14.124   2.789
  645   1HB   ASN  80          2HB       ASN  80   7.494 -16.416   2.370
  646   2HB   ASN  80          1HB       ASN  80   7.767 -16.135   0.651
  647   1HD2  ASN  80          2HD2      ASN  80  10.770 -17.909   1.996
  648   2HD2  ASN  80          1HD2      ASN  80   9.119 -18.276   1.853
  649    H    ASP  81           H        ASP  81   6.925 -13.643  -0.311
  650    HA   ASP  81           HA       ASP  81   9.497 -12.632  -1.445
  651   1HB   ASP  81          2HB       ASP  81   8.288 -12.813  -3.652
  652   2HB   ASP  81          1HB       ASP  81   8.509 -14.356  -2.827
  653    H    SER  82           H        SER  82   8.794 -10.845  -3.266
  654    HA   SER  82           HA       SER  82   7.172  -8.823  -1.772
  655   1HB   SER  82          2HB       SER  82   9.454  -8.391  -3.723
  656   2HB   SER  82          1HB       SER  82   8.537  -7.112  -2.930
  657    HG   SER  82           HG       SER  82   9.226  -8.063  -0.920
  658    H    ARG  83           H        ARG  83   5.278  -9.800  -2.906
  659    HA   ARG  83           HA       ARG  83   5.003  -8.632  -5.637
  660   1HB   ARG  83          2HB       ARG  83   4.452 -11.452  -4.749
  661   2HB   ARG  83          1HB       ARG  83   3.498 -10.742  -6.052
  662   1HG   ARG  83          2HG       ARG  83   5.939 -10.018  -6.903
  663   2HG   ARG  83          1HG       ARG  83   6.389 -11.463  -5.997
  664   1HD   ARG  83          2HD       ARG  83   4.225 -11.373  -8.118
  665   2HD   ARG  83          1HD       ARG  83   5.867 -11.956  -8.387
  666    HE   ARG  83           HE       ARG  83   3.807 -13.308  -6.728
  667   1HH1  ARG  83          1HH2      ARG  83   6.344 -13.784  -5.389
  668   2HH1  ARG  83          2HH2      ARG  83   7.009 -15.141  -6.233
  669   1HH2  ARG  83          2HH1      ARG  83   4.931 -14.782  -8.988
  670   2HH2  ARG  83          1HH1      ARG  83   6.209 -15.706  -8.273
  671    H    TRP  84           H        TRP  84   4.024  -7.014  -3.977
  672    HA   TRP  84           HA       TRP  84   1.384  -7.734  -2.916
  673   1HB   TRP  84          2HB       TRP  84   2.906  -5.117  -3.060
  674   2HB   TRP  84          1HB       TRP  84   1.315  -5.280  -2.318
  675    HD1  TRP  84           HD1      TRP  84   4.704  -7.152  -2.059
  676    HE1  TRP  84           HE1      TRP  84   5.137  -7.664   0.431
  677    HE3  TRP  84           HE3      TRP  84   0.471  -5.174  -0.003
  678    HZ2  TRP  84           HZ2      TRP  84   3.854  -7.285   2.962
  679    HZ3  TRP  84           HZ3      TRP  84   0.101  -5.261   2.446
  680    HH2  TRP  84           HH2      TRP  84   1.786  -6.312   3.930
  681    H    GLU  85           H        GLU  85  -0.445  -7.651  -4.135
  682    HA   GLU  85           HA       GLU  85  -0.430  -5.882  -6.550
  683   1HB   GLU  85          2HB       GLU  85  -2.094  -7.501  -7.504
  684   2HB   GLU  85          1HB       GLU  85  -0.505  -8.213  -7.226
  685   1HG   GLU  85          2HG       GLU  85  -2.145  -8.454  -4.840
  686   2HG   GLU  85          1HG       GLU  85  -2.984  -9.138  -6.231
  687    H    PHE  86           H        PHE  86  -2.165  -4.492  -6.799
  688    HA   PHE  86           HA       PHE  86  -4.301  -4.617  -4.708
  689   1HB   PHE  86          2HB       PHE  86  -3.222  -2.081  -5.974
  690   2HB   PHE  86          1HB       PHE  86  -4.323  -2.206  -4.605
  691    HD1  PHE  86           HD1      PHE  86  -2.973  -4.441  -3.090
  692    HD2  PHE  86           HD2      PHE  86  -1.362  -0.962  -5.012
  693    HE1  PHE  86           HE1      PHE  86  -1.042  -4.484  -1.537
  694    HE2  PHE  86           HE2      PHE  86   0.573  -1.004  -3.465
  695    HZ   PHE  86           HZ       PHE  86   0.734  -2.765  -1.726
  696    H    GLU  87           H        GLU  87  -6.081  -5.329  -5.794
  697    HA   GLU  87           HA       GLU  87  -6.652  -4.135  -8.477
  698   1HB   GLU  87          2HB       GLU  87  -7.744  -6.711  -7.309
  699   2HB   GLU  87          1HB       GLU  87  -7.974  -6.120  -8.954
  700   1HG   GLU  87          2HG       GLU  87  -5.533  -6.254  -9.337
  701   2HG   GLU  87          1HG       GLU  87  -5.319  -6.879  -7.702
  702    H    ASN  88           H        ASN  88  -9.136  -4.068  -8.887
  703    HA   ASN  88           HA       ASN  88 -10.664  -3.466  -6.413
  704   1HB   ASN  88          2HB       ASN  88 -11.465  -1.320  -7.416
  705   2HB   ASN  88          1HB       ASN  88  -9.740  -1.305  -7.054
  706   1HD2  ASN  88          2HD2      ASN  88 -10.754  -0.370 -10.730
  707   2HD2  ASN  88          1HD2      ASN  88 -11.696  -0.143  -9.336
  708    H    GLU  89           H        GLU  89 -13.043  -3.005  -7.057
  709    HA   GLU  89           HA       GLU  89 -15.005  -3.745  -8.091
  710   1HB   GLU  89          2HB       GLU  89 -13.745  -2.735 -10.123
  711   2HB   GLU  89          1HB       GLU  89 -13.391  -4.411 -10.550
  712   1HG   GLU  89          2HG       GLU  89 -15.994  -4.714 -10.122
  713   2HG   GLU  89          1HG       GLU  89 -16.024  -2.987 -10.481
  714    H    ARG  90           H        ARG  90 -15.739  -5.609  -7.277
  715    HA   ARG  90           HA       ARG  90 -14.323  -8.008  -6.896
  716   1HB   ARG  90          2HB       ARG  90 -16.535  -7.423  -5.866
  717   2HB   ARG  90          1HB       ARG  90 -17.302  -7.773  -7.416
  718   1HG   ARG  90          2HG       ARG  90 -16.077 -10.067  -7.237
  719   2HG   ARG  90          1HG       ARG  90 -15.925  -9.668  -5.525
  720   1HD   ARG  90          2HD       ARG  90 -17.961 -10.845  -5.615
  721   2HD   ARG  90          1HD       ARG  90 -18.471  -9.157  -5.646
  722    HE   ARG  90           HE       ARG  90 -18.340  -9.645  -8.289
  723   1HH1  ARG  90          1HH2      ARG  90 -18.348 -12.613  -7.530
  724   2HH1  ARG  90          2HH2      ARG  90 -20.033 -12.983  -7.677
  725   1HH2  ARG  90          2HH1      ARG  90 -21.033  -9.663  -7.681
  726   2HH2  ARG  90          1HH1      ARG  90 -21.554 -11.314  -7.763
  727    H    HIS  91           H        HIS  91 -13.567  -9.494  -8.310
  728    HA   HIS  91           HA       HIS  91 -14.777  -9.592 -11.043
  729   1HB   HIS  91          2HB       HIS  91 -12.091  -9.294 -10.217
  730   2HB   HIS  91          1HB       HIS  91 -12.211 -10.944 -10.821
  731    HD1  HIS  91           HD1      HIS  91 -12.962  -7.379 -11.909
  732    HD2  HIS  91           HD2      HIS  91 -12.337 -11.139 -13.597
  733    HE1  HIS  91           HE1      HIS  91 -12.864  -7.031 -14.416
  734    H    ALA  92           HN       ALA  92 -13.837 -12.023 -11.907
  735    HA   ALA  92           HA       ALA  92 -14.129 -14.191 -10.065
  736   1HB   ALA  92          1HB       ALA  92 -16.524 -13.071 -10.284
  737   2HB   ALA  92          3HB       ALA  92 -16.574 -13.995 -11.786
  738   3HB   ALA  92          2HB       ALA  92 -16.354 -14.825 -10.246
   
  No H/Q in entry =         738
  Start of MODEL           3
 Raw file had  756 H/Q atoms
  Start of MODEL    3
    1   1H    ALA   1          2H        ALA   1 -13.973  11.543  -9.893
    2   2H    ALA   1          1H        ALA   1 -12.659  11.466 -10.966
    3   3H    ALA   1          3H        ALA   1 -12.417  11.191  -9.310
    4    HA   ALA   1           HA       ALA   1 -11.650  13.359  -9.660
    5   1HB   ALA   1          2HB       ALA   1 -14.075  13.504 -11.428
    6   2HB   ALA   1          1HB       ALA   1 -13.408  14.989 -10.746
    7   3HB   ALA   1          3HB       ALA   1 -12.410  13.967 -11.782
    8    H    ARG   2           H        ARG   2 -11.942  13.249  -7.374
    9    HA   ARG   2           HA       ARG   2 -13.730  15.105  -6.227
   10   1HB   ARG   2          2HB       ARG   2 -15.115  12.778  -6.891
   11   2HB   ARG   2          1HB       ARG   2 -14.763  12.570  -5.174
   12   1HG   ARG   2          2HG       ARG   2 -15.533  15.165  -5.169
   13   2HG   ARG   2          1HG       ARG   2 -16.498  14.571  -6.520
   14   1HD   ARG   2          2HD       ARG   2 -17.611  12.976  -5.173
   15   2HD   ARG   2          1HD       ARG   2 -16.405  13.096  -3.890
   16    HE   ARG   2           HE       ARG   2 -17.397  15.628  -3.925
   17   1HH1  ARG   2          1HH1      ARG   2 -20.908  14.511  -3.812
   18   2HH1  ARG   2          2HH1      ARG   2 -19.923  15.129  -5.095
   19   1HH2  ARG   2          1HH2      ARG   2 -18.217  13.707  -1.779
   20   2HH2  ARG   2          2HH2      ARG   2 -19.942  13.704  -1.934
   21    HA   PRO   3           HA       PRO   3 -11.793  12.631  -2.690
   22   1HB   PRO   3          2HB       PRO   3 -10.357  10.359  -3.254
   23   2HB   PRO   3          1HB       PRO   3 -12.067  10.350  -2.791
   24   1HG   PRO   3          2HG       PRO   3 -10.847   9.932  -5.472
   25   2HG   PRO   3          1HG       PRO   3 -12.381   9.324  -4.829
   26   1HD   PRO   3          2HD       PRO   3 -12.081  11.487  -6.596
   27   2HD   PRO   3          1HD       PRO   3 -13.539  11.103  -5.666
   28    H    ALA   4           H        ALA   4 -10.065  13.882  -2.184
   29    HA   ALA   4           HA       ALA   4  -8.095  14.736  -4.076
   30   1HB   ALA   4          2HB       ALA   4  -8.296  14.881  -1.070
   31   2HB   ALA   4          1HB       ALA   4  -6.872  15.480  -1.919
   32   3HB   ALA   4          3HB       ALA   4  -8.456  16.186  -2.247
   33    H    PHE   5           H        PHE   5  -8.217  12.029  -1.848
   34    HA   PHE   5           HA       PHE   5  -5.416  11.410  -1.823
   35   1HB   PHE   5          2HB       PHE   5  -7.246  10.456  -0.303
   36   2HB   PHE   5          1HB       PHE   5  -7.640   9.374  -1.641
   37    HD1  PHE   5           HD2      PHE   5  -4.604  10.619   0.186
   38    HD2  PHE   5           HD1      PHE   5  -6.589   7.301  -1.684
   39    HE1  PHE   5           HE2      PHE   5  -2.721   9.134   0.822
   40    HE2  PHE   5           HE1      PHE   5  -4.707   5.817  -1.049
   41    HZ   PHE   5           HZ       PHE   5  -2.774   6.732   0.205
   42    H    VAL   6           H        VAL   6  -8.088  10.297  -3.907
   43    HA   VAL   6           HA       VAL   6  -6.459   8.527  -5.490
   44    HB   VAL   6           HB       VAL   6  -9.031   9.921  -6.291
   45   1HG1  VAL   6          2HG1      VAL   6  -7.352   7.737  -7.423
   46   2HG1  VAL   6          1HG1      VAL   6  -9.101   7.505  -7.474
   47   3HG1  VAL   6          3HG1      VAL   6  -8.376   8.914  -8.248
   48   1HG2  VAL   6          3HG2      VAL   6  -8.570   7.286  -4.855
   49   2HG2  VAL   6          2HG2      VAL   6  -9.301   8.731  -4.156
   50   3HG2  VAL   6          1HG2      VAL   6 -10.130   7.860  -5.446
   51    H    ASN   7           H        ASN   7  -7.200  11.966  -5.669
   52    HA   ASN   7           HA       ASN   7  -6.230  12.407  -8.343
   53   1HB   ASN   7          2HB       ASN   7  -6.303  14.319  -5.986
   54   2HB   ASN   7          1HB       ASN   7  -6.106  14.775  -7.677
   55   1HD2  ASN   7          2HD2      ASN   7  -9.551  13.617  -8.427
   56   2HD2  ASN   7          1HD2      ASN   7  -7.991  13.291  -9.013
   57    H    LYS   8           H        LYS   8  -4.670  12.417  -5.165
   58    HA   LYS   8           HA       LYS   8  -2.083  13.247  -6.250
   59   1HB   LYS   8          2HB       LYS   8  -1.263  12.793  -3.939
   60   2HB   LYS   8          1HB       LYS   8  -2.666  13.863  -3.957
   61   1HG   LYS   8          2HG       LYS   8  -4.135  12.120  -3.271
   62   2HG   LYS   8          1HG       LYS   8  -2.941  10.871  -3.618
   63   1HD   LYS   8          2HD       LYS   8  -3.035  11.215  -1.210
   64   2HD   LYS   8          1HD       LYS   8  -1.493  11.823  -1.810
   65   1HE   LYS   8          2HE       LYS   8  -3.571  13.876  -1.889
   66   2HE   LYS   8          1HE       LYS   8  -3.322  13.247  -0.260
   67   1HZ   LYS   8          3HZ       LYS   8  -1.025  13.972  -1.959
   68   2HZ   LYS   8          2HZ       LYS   8  -1.851  15.159  -1.068
   69   3HZ   LYS   8          1HZ       LYS   8  -1.107  13.858  -0.270
   70    H    LEU   9           H        LEU   9  -3.755  10.237  -5.780
   71    HA   LEU   9           HA       LEU   9  -1.378   8.562  -5.688
   72   1HB   LEU   9          2HB       LEU   9  -3.582   7.849  -4.766
   73   2HB   LEU   9          1HB       LEU   9  -4.235   7.835  -6.403
   74    HG   LEU   9           HG       LEU   9  -2.521   6.156  -7.051
   75   1HD1  LEU   9          3HD1      LEU   9  -1.687   6.634  -4.217
   76   2HD1  LEU   9          2HD1      LEU   9  -1.526   5.002  -4.866
   77   3HD1  LEU   9          1HD1      LEU   9  -0.693   6.347  -5.645
   78   1HD2  LEU   9          2HD2      LEU   9  -4.460   5.632  -4.810
   79   2HD2  LEU   9          1HD2      LEU   9  -4.564   5.149  -6.502
   80   3HD2  LEU   9          3HD2      LEU   9  -3.445   4.323  -5.418
   81    H    TRP  10           H        TRP  10  -3.450   9.877  -8.200
   82    HA   TRP  10           HA       TRP  10  -2.561   8.164 -10.340
   83   1HB   TRP  10          2HB       TRP  10  -4.091  10.692 -10.069
   84   2HB   TRP  10          1HB       TRP  10  -3.333  10.402 -11.631
   85    HD1  TRP  10           HD1      TRP  10  -5.816  10.121 -12.617
   86    HE1  TRP  10           HE1      TRP  10  -7.376   8.072 -12.694
   87    HE3  TRP  10           HE3      TRP  10  -3.638   7.189  -9.025
   88    HZ2  TRP  10           HZ2      TRP  10  -7.670   5.543 -11.415
   89    HZ3  TRP  10           HZ3      TRP  10  -4.586   4.970  -8.485
   90    HH2  TRP  10           HH2      TRP  10  -6.598   4.142  -9.671
   91    H    SER  11           H        SER  11  -0.867  10.584  -8.633
   92    HA   SER  11           HA       SER  11   0.789  11.330 -10.976
   93   1HB   SER  11          2HB       SER  11   1.938  12.786  -9.182
   94   2HB   SER  11          1HB       SER  11   0.291  13.215  -9.638
   95    HG   SER  11           HG       SER  11   0.358  13.151  -7.427
   96    H    MET  12           H        MET  12   1.128   9.770  -7.783
   97    HA   MET  12           HA       MET  12   3.952   9.223  -8.141
   98   1HB   MET  12          2HB       MET  12   3.726   7.836  -6.119
   99   2HB   MET  12          1HB       MET  12   2.941   9.398  -5.896
  100   1HG   MET  12          2HG       MET  12   0.753   8.359  -6.449
  101   2HG   MET  12          1HG       MET  12   1.554   6.797  -6.621
  102   1HE   MET  12          3HE       MET  12   3.062   5.939  -5.187
  103   2HE   MET  12          2HE       MET  12   3.508   6.514  -3.582
  104   3HE   MET  12          1HE       MET  12   2.242   5.301  -3.755
  105    H    VAL  13           H        VAL  13   0.993   7.476  -8.898
  106    HA   VAL  13           HA       VAL  13   2.391   4.961  -9.423
  107    HB   VAL  13           HB       VAL  13  -0.401   5.755 -10.285
  108   1HG1  VAL  13          2HG1      VAL  13   1.181   3.432 -10.742
  109   2HG1  VAL  13          1HG1      VAL  13  -0.037   2.988  -9.550
  110   3HG1  VAL  13          3HG1      VAL  13  -0.529   3.661 -11.101
  111   1HG2  VAL  13          1HG2      VAL  13   0.135   6.000  -7.780
  112   2HG2  VAL  13          3HG2      VAL  13  -1.213   4.942  -8.195
  113   3HG2  VAL  13          2HG2      VAL  13   0.354   4.250  -7.770
  114    H    ASN  14           H        ASN  14   2.268   7.854 -11.137
  115    HA   ASN  14           HA       ASN  14   1.828   7.038 -13.820
  116   1HB   ASN  14          2HB       ASN  14   3.237   9.275 -12.469
  117   2HB   ASN  14          1HB       ASN  14   3.741   8.942 -14.127
  118   1HD2  ASN  14          2HD2      ASN  14   0.987  10.922 -15.147
  119   2HD2  ASN  14          1HD2      ASN  14   2.676  10.758 -15.120
  120    H    ASP  15           H        ASP  15   4.532   6.491 -11.682
  121    HA   ASP  15           HA       ASP  15   6.456   5.197 -11.929
  122   1HB   ASP  15          2HB       ASP  15   5.142   4.193 -14.467
  123   2HB   ASP  15          1HB       ASP  15   6.415   3.394 -13.541
  124    H    LYS  16           H        LYS  16   6.312   7.898 -13.166
  125    HA   LYS  16           HA       LYS  16   7.901   7.658 -15.633
  126   1HB   LYS  16          2HB       LYS  16   6.440   9.763 -14.260
  127   2HB   LYS  16          1HB       LYS  16   8.073  10.311 -14.641
  128   1HG   LYS  16          2HG       LYS  16   6.183   9.032 -16.640
  129   2HG   LYS  16          1HG       LYS  16   6.447  10.769 -16.482
  130   1HD   LYS  16          2HD       LYS  16   8.848   9.017 -16.800
  131   2HD   LYS  16          1HD       LYS  16   7.847   9.309 -18.222
  132   1HE   LYS  16          2HE       LYS  16   8.069  11.729 -17.919
  133   2HE   LYS  16          1HE       LYS  16   9.009  11.477 -16.448
  134   1HZ   LYS  16          1HZ       LYS  16  10.656  10.277 -17.780
  135   2HZ   LYS  16          3HZ       LYS  16   9.768  10.613 -19.185
  136   3HZ   LYS  16          2HZ       LYS  16  10.468  11.883 -18.301
  137    H    SER  17           H        SER  17   8.403   8.786 -12.292
  138    HA   SER  17           HA       SER  17  11.343   8.679 -12.725
  139   1HB   SER  17          2HB       SER  17   9.853  10.538 -11.417
  140   2HB   SER  17          1HB       SER  17  10.254   9.466 -10.078
  141    HG   SER  17           HG       SER  17  11.774  11.298 -11.119
  142    H    ASN  18           H        ASN  18   8.703   7.071 -11.072
  143    HA   ASN  18           HA       ASN  18  10.592   5.334  -9.570
  144   1HB   ASN  18          2HB       ASN  18   7.581   5.095  -9.521
  145   2HB   ASN  18          1HB       ASN  18   8.739   4.615  -8.284
  146   1HD2  ASN  18          2HD2      ASN  18   7.024   8.094  -7.769
  147   2HD2  ASN  18          1HD2      ASN  18   6.363   6.725  -8.527
  148    H    GLU  19           H        GLU  19  10.203   5.262 -12.564
  149    HA   GLU  19           HA       GLU  19   8.646   3.034 -13.359
  150   1HB   GLU  19          2HB       GLU  19   9.662   4.697 -14.910
  151   2HB   GLU  19          1HB       GLU  19  11.244   4.003 -14.584
  152   1HG   GLU  19          2HG       GLU  19  10.704   1.964 -15.637
  153   2HG   GLU  19          1HG       GLU  19   8.970   2.273 -15.543
  154    H    LYS  20           H        LYS  20  11.611   3.100 -11.556
  155    HA   LYS  20           HA       LYS  20  12.176   0.262 -12.244
  156   1HB   LYS  20          2HB       LYS  20  13.909   2.310 -11.982
  157   2HB   LYS  20          1HB       LYS  20  13.902   1.727 -10.316
  158   1HG   LYS  20          2HG       LYS  20  15.531   0.335 -11.167
  159   2HG   LYS  20          1HG       LYS  20  14.113  -0.639 -11.555
  160   1HD   LYS  20          2HD       LYS  20  14.105   0.808 -13.766
  161   2HD   LYS  20          1HD       LYS  20  15.810   1.038 -13.370
  162   1HE   LYS  20          2HE       LYS  20  15.884  -0.906 -14.664
  163   2HE   LYS  20          1HE       LYS  20  15.802  -1.564 -13.030
  164   1HZ   LYS  20          1HZ       LYS  20  13.349  -1.650 -13.317
  165   2HZ   LYS  20          3HZ       LYS  20  13.563  -1.234 -14.947
  166   3HZ   LYS  20          2HZ       LYS  20  14.204  -2.690 -14.352
  167    H    PHE  21           H        PHE  21   9.844   1.007 -10.554
  168    HA   PHE  21           HA       PHE  21  10.492  -0.788  -8.309
  169   1HB   PHE  21          2HB       PHE  21   9.719   2.103  -7.931
  170   2HB   PHE  21          1HB       PHE  21   9.389   0.892  -6.690
  171    HD1  PHE  21           HD1      PHE  21  11.488  -0.766  -6.259
  172    HD2  PHE  21           HD2      PHE  21  11.732   3.253  -7.755
  173    HE1  PHE  21           HE1      PHE  21  13.844  -0.625  -5.498
  174    HE2  PHE  21           HE2      PHE  21  14.087   3.394  -6.994
  175    HZ   PHE  21           HZ       PHE  21  15.143   1.455  -5.865
  176    H    ILE  22           H        ILE  22   7.740   1.471  -8.420
  177    HA   ILE  22           HA       ILE  22   5.949  -0.888  -8.566
  178    HB   ILE  22           HB       ILE  22   5.554   0.785  -6.786
  179   1HG1  ILE  22          2HG1      ILE  22   3.292   1.038  -8.762
  180   2HG1  ILE  22          1HG1      ILE  22   3.687  -0.522  -8.039
  181   1HG2  ILE  22          3HG2      ILE  22   5.223   2.643  -9.148
  182   2HG2  ILE  22          2HG2      ILE  22   4.542   3.005  -7.564
  183   3HG2  ILE  22          1HG2      ILE  22   6.287   2.833  -7.754
  184   1HD1  ILE  22          2HD1      ILE  22   3.208   1.975  -6.399
  185   2HD1  ILE  22          1HD1      ILE  22   1.927   0.832  -6.800
  186   3HD1  ILE  22          3HD1      ILE  22   3.301   0.311  -5.824
  187    H    HIS  23           H        HIS  23   4.294  -1.059 -10.141
  188    HA   HIS  23           HA       HIS  23   4.170   0.899 -12.321
  189   1HB   HIS  23          2HB       HIS  23   4.742  -0.725 -14.083
  190   2HB   HIS  23          1HB       HIS  23   6.096  -0.509 -12.980
  191    HD1  HIS  23           HD1      HIS  23   5.768  -2.391 -10.784
  192    HD2  HIS  23           HD2      HIS  23   4.435  -3.400 -14.602
  193    HE1  HIS  23           HE1      HIS  23   5.590  -4.914 -10.837
  194    H    TRP  24           H        TRP  24   2.458   0.191 -13.949
  195    HA   TRP  24           HA       TRP  24   0.087  -0.660 -12.527
  196   1HB   TRP  24          2HB       TRP  24   0.682  -0.102 -15.436
  197   2HB   TRP  24          1HB       TRP  24  -0.903  -0.655 -14.897
  198    HD1  TRP  24           HD1      TRP  24   1.507   1.930 -13.319
  199    HE1  TRP  24           HE1      TRP  24   0.194   4.121 -12.955
  200    HE3  TRP  24           HE3      TRP  24  -2.985   0.606 -15.326
  201    HZ2  TRP  24           HZ2      TRP  24  -2.424   5.171 -13.455
  202    HZ3  TRP  24           HZ3      TRP  24  -4.872   2.209 -15.375
  203    HH2  TRP  24           HH2      TRP  24  -4.597   4.490 -14.440
  204    H    SER  25           H        SER  25  -1.077  -2.610 -12.766
  205    HA   SER  25           HA       SER  25   0.519  -4.981 -13.298
  206   1HB   SER  25          2HB       SER  25  -2.444  -5.204 -13.130
  207   2HB   SER  25          1HB       SER  25  -1.200  -6.141 -12.309
  208    HG   SER  25           HG       SER  25  -2.049  -4.881 -10.748
  209    H    THR  26           H        THR  26   0.824  -5.841 -15.296
  210    HA   THR  26           HA       THR  26   0.509  -6.336 -17.564
  211    HB   THR  26           HB       THR  26  -2.437  -5.883 -17.105
  212    HG1  THR  26           HG1      THR  26  -2.066  -7.171 -15.453
  213   1HG2  THR  26          1HG2      THR  26  -0.777  -7.755 -18.808
  214   2HG2  THR  26          3HG2      THR  26  -2.524  -7.905 -18.618
  215   3HG2  THR  26          2HG2      THR  26  -1.839  -6.461 -19.367
  216    H    SER  27           H        SER  27   0.652  -3.447 -16.560
  217    HA   SER  27           HA       SER  27   0.626  -1.323 -17.531
  218   1HB   SER  27          2HB       SER  27   1.133  -3.139 -19.608
  219   2HB   SER  27          1HB       SER  27  -0.127  -2.085 -20.240
  220    HG   SER  27           HG       SER  27   2.481  -1.506 -19.418
  221    H    GLY  28           H        GLY  28  -1.760  -2.104 -16.281
  222   1HA   GLY  28          2HA       GLY  28  -3.623  -0.229 -16.968
  223   2HA   GLY  28          1HA       GLY  28  -3.996  -1.525 -18.094
  224    H    GLU  29           H        GLU  29  -5.087  -0.285 -15.346
  225    HA   GLU  29           HA       GLU  29  -6.567  -1.061 -13.740
  226   1HB   GLU  29          2HB       GLU  29  -6.310  -3.796 -15.008
  227   2HB   GLU  29          1HB       GLU  29  -7.628  -3.192 -14.010
  228   1HG   GLU  29          2HG       GLU  29  -7.398  -1.323 -16.101
  229   2HG   GLU  29          1HG       GLU  29  -7.210  -2.895 -16.876
  230    H    SER  30           H        SER  30  -5.973  -1.261 -11.730
  231    HA   SER  30           HA       SER  30  -5.049  -2.118  -9.754
  232   1HB   SER  30          2HB       SER  30  -3.936  -4.446 -11.311
  233   2HB   SER  30          1HB       SER  30  -4.424  -4.388  -9.620
  234    HG   SER  30           HG       SER  30  -5.929  -5.393 -11.175
  235    H    ILE  31           H        ILE  31  -2.860  -2.785  -8.823
  236    HA   ILE  31           HA       ILE  31  -0.578  -1.785 -10.462
  237    HB   ILE  31           HB       ILE  31  -1.050  -0.947  -7.584
  238   1HG1  ILE  31          2HG1      ILE  31  -1.372   0.818 -10.021
  239   2HG1  ILE  31          1HG1      ILE  31  -2.738  -0.030  -9.300
  240   1HG2  ILE  31          1HG2      ILE  31   1.015  -0.405  -9.691
  241   2HG2  ILE  31          3HG2      ILE  31   0.661   0.849  -8.502
  242   3HG2  ILE  31          2HG2      ILE  31   1.232  -0.734  -7.972
  243   1HD1  ILE  31          2HD1      ILE  31  -1.230   1.282  -7.219
  244   2HD1  ILE  31          1HD1      ILE  31  -1.632   2.444  -8.483
  245   3HD1  ILE  31          3HD1      ILE  31  -2.912   1.528  -7.690
  246    H    VAL  32           H        VAL  32   1.286  -2.999 -10.097
  247    HA   VAL  32           HA       VAL  32   1.066  -5.124  -8.006
  248    HB   VAL  32           HB       VAL  32   2.864  -5.094 -10.444
  249   1HG1  VAL  32          1HG1      VAL  32   2.270  -7.012  -8.221
  250   2HG1  VAL  32          3HG1      VAL  32   2.637  -7.661  -9.820
  251   3HG1  VAL  32          2HG1      VAL  32   3.812  -6.638  -8.991
  252   1HG2  VAL  32          3HG2      VAL  32   0.469  -5.120 -11.078
  253   2HG2  VAL  32          2HG2      VAL  32   1.237  -6.670 -11.419
  254   3HG2  VAL  32          1HG2      VAL  32   0.205  -6.490 -10.000
  255    H    VAL  33           H        VAL  33   2.582  -5.224  -6.408
  256    HA   VAL  33           HA       VAL  33   4.780  -3.199  -6.489
  257    HB   VAL  33           HB       VAL  33   3.594  -4.631  -4.092
  258   1HG1  VAL  33          1HG1      VAL  33   6.026  -3.713  -4.064
  259   2HG1  VAL  33          3HG1      VAL  33   5.266  -2.121  -4.072
  260   3HG1  VAL  33          2HG1      VAL  33   4.949  -3.244  -2.749
  261   1HG2  VAL  33          3HG2      VAL  33   1.981  -3.091  -5.189
  262   2HG2  VAL  33          2HG2      VAL  33   2.485  -2.491  -3.609
  263   3HG2  VAL  33          1HG2      VAL  33   3.167  -1.791  -5.076
  264    HA   PRO  34           HA       PRO  34   6.998  -7.125  -6.757
  265   1HB   PRO  34          2HB       PRO  34   9.142  -6.196  -8.198
  266   2HB   PRO  34          1HB       PRO  34   7.637  -6.765  -8.943
  267   1HG   PRO  34          2HG       PRO  34   8.631  -3.979  -8.611
  268   2HG   PRO  34          1HG       PRO  34   7.525  -4.642  -9.828
  269   1HD   PRO  34          2HD       PRO  34   6.780  -3.135  -7.559
  270   2HD   PRO  34          1HD       PRO  34   5.694  -4.077  -8.595
  271    H    ASN  35           H        ASN  35   8.548  -3.934  -6.261
  272    HA   ASN  35           HA       ASN  35  10.355  -5.198  -4.258
  273   1HB   ASN  35          2HB       ASN  35  10.755  -3.210  -6.262
  274   2HB   ASN  35          1HB       ASN  35  10.950  -2.409  -4.706
  275   1HD2  ASN  35          2HD2      ASN  35  14.044  -4.436  -5.987
  276   2HD2  ASN  35          1HD2      ASN  35  12.878  -3.648  -6.936
  277    H    ARG  36           H        ARG  36   8.015  -5.176  -3.160
  278    HA   ARG  36           HA       ARG  36   6.853  -2.885  -2.046
  279   1HB   ARG  36          2HB       ARG  36   6.210  -4.413  -0.102
  280   2HB   ARG  36          1HB       ARG  36   5.725  -4.944  -1.708
  281   1HG   ARG  36          2HG       ARG  36   6.650  -6.918  -0.991
  282   2HG   ARG  36          1HG       ARG  36   8.134  -6.171  -1.557
  283   1HD   ARG  36          2HD       ARG  36   8.323  -5.192   0.830
  284   2HD   ARG  36          1HD       ARG  36   7.126  -6.413   1.265
  285    HE   ARG  36           HE       ARG  36   9.273  -7.618  -0.225
  286   1HH1  ARG  36          2HH1      ARG  36   7.786  -8.006   2.613
  287   2HH1  ARG  36          1HH1      ARG  36   9.198  -8.210   3.595
  288   1HH2  ARG  36          1HH2      ARG  36  11.393  -7.147   1.131
  289   2HH2  ARG  36          2HH2      ARG  36  11.239  -7.723   2.757
  290    H    GLU  37           H        GLU  37   9.916  -4.284  -1.198
  291    HA   GLU  37           HA       GLU  37  10.014  -2.924   1.408
  292   1HB   GLU  37          2HB       GLU  37  11.016  -5.191   0.988
  293   2HB   GLU  37          1HB       GLU  37  12.241  -4.403  -0.004
  294   1HG   GLU  37          2HG       GLU  37  13.403  -3.752   1.817
  295   2HG   GLU  37          1HG       GLU  37  11.967  -3.040   2.550
  296    H    ARG  38           H        ARG  38  11.328  -2.338  -1.836
  297    HA   ARG  38           HA       ARG  38  13.061  -0.177  -0.774
  298   1HB   ARG  38          2HB       ARG  38  12.717  -1.438  -3.491
  299   2HB   ARG  38          1HB       ARG  38  13.645   0.046  -3.275
  300   1HG   ARG  38          2HG       ARG  38  14.297  -2.102  -1.350
  301   2HG   ARG  38          1HG       ARG  38  14.693  -2.474  -3.027
  302   1HD   ARG  38          2HD       ARG  38  16.063  -0.509  -3.226
  303   2HD   ARG  38          1HD       ARG  38  15.496   0.115  -1.678
  304    HE   ARG  38           HE       ARG  38  16.783  -2.479  -1.411
  305   1HH1  ARG  38          1HH2      ARG  38  16.840   0.172   0.278
  306   2HH1  ARG  38          2HH2      ARG  38  18.537   0.512   0.215
  307   1HH2  ARG  38          2HH1      ARG  38  19.163  -1.723  -2.361
  308   2HH2  ARG  38          1HH1      ARG  38  19.851  -0.562  -1.276
  309    H    PHE  39           H        PHE  39  10.329  -0.506  -3.027
  310    HA   PHE  39           HA       PHE  39  10.004   2.076  -3.954
  311   1HB   PHE  39          2HB       PHE  39   8.519   0.472  -4.811
  312   2HB   PHE  39          1HB       PHE  39   8.038  -0.084  -3.215
  313    HD1  PHE  39           HD2      PHE  39   6.534   1.338  -1.801
  314    HD2  PHE  39           HD1      PHE  39   7.370   2.280  -5.909
  315    HE1  PHE  39           HE2      PHE  39   4.559   2.839  -1.858
  316    HE2  PHE  39           HE1      PHE  39   5.400   3.786  -5.961
  317    HZ   PHE  39           HZ       PHE  39   3.993   4.063  -3.940
  318    H    VAL  40           H        VAL  40   8.747   0.877  -0.813
  319    HA   VAL  40           HA       VAL  40   7.443   3.260  -0.010
  320    HB   VAL  40           HB       VAL  40   8.889   1.256   1.755
  321   1HG1  VAL  40          1HG1      VAL  40   7.893   3.670   2.550
  322   2HG1  VAL  40          3HG1      VAL  40   6.453   2.664   2.699
  323   3HG1  VAL  40          2HG1      VAL  40   7.921   2.241   3.579
  324   1HG2  VAL  40          1HG2      VAL  40   7.150   0.321   0.173
  325   2HG2  VAL  40          3HG2      VAL  40   6.775   0.092   1.880
  326   3HG2  VAL  40          2HG2      VAL  40   5.965   1.360   0.961
  327    H    GLN  41           H        GLN  41  10.725   2.201   0.925
  328    HA   GLN  41           HA       GLN  41  11.412   4.730   2.120
  329   1HB   GLN  41          2HB       GLN  41  12.793   2.190   1.492
  330   2HB   GLN  41          1HB       GLN  41  13.831   3.611   1.611
  331   1HG   GLN  41          2HG       GLN  41  11.755   3.015   3.718
  332   2HG   GLN  41          1HG       GLN  41  13.360   2.292   3.782
  333   1HE2  GLN  41          2HE2      GLN  41  12.950   5.979   5.180
  334   2HE2  GLN  41          1HE2      GLN  41  11.682   4.865   4.999
  335    H    GLU  42           H        GLU  42  11.095   3.979  -1.178
  336    HA   GLU  42           HA       GLU  42  12.892   6.268  -1.843
  337   1HB   GLU  42          2HB       GLU  42  12.748   3.549  -3.114
  338   2HB   GLU  42          1HB       GLU  42  13.271   4.947  -4.057
  339   1HG   GLU  42          2HG       GLU  42  15.107   5.370  -2.590
  340   2HG   GLU  42          1HG       GLU  42  14.485   4.253  -1.375
  341    H    VAL  43           H        VAL  43   9.797   5.745  -1.632
  342    HA   VAL  43           HA       VAL  43   9.188   7.313  -4.061
  343    HB   VAL  43           HB       VAL  43   7.697   4.731  -3.510
  344   1HG1  VAL  43          1HG1      VAL  43   7.480   6.964  -5.499
  345   2HG1  VAL  43          3HG1      VAL  43   7.061   5.330  -6.013
  346   3HG1  VAL  43          2HG1      VAL  43   6.199   6.080  -4.669
  347   1HG2  VAL  43          1HG2      VAL  43   9.838   5.397  -5.556
  348   2HG2  VAL  43          3HG2      VAL  43   9.929   4.170  -4.293
  349   3HG2  VAL  43          2HG2      VAL  43   8.807   3.968  -5.639
  350    H    LEU  44           H        LEU  44   7.929   5.806  -1.076
  351    HA   LEU  44           HA       LEU  44   5.467   7.255  -1.054
  352   1HB   LEU  44          2HB       LEU  44   6.195   5.203   0.353
  353   2HB   LEU  44          1HB       LEU  44   6.863   6.394   1.466
  354    HG   LEU  44           HG       LEU  44   4.631   7.521   1.534
  355   1HD1  LEU  44          3HD1      LEU  44   3.987   5.228  -0.308
  356   2HD1  LEU  44          2HD1      LEU  44   2.731   5.910   0.726
  357   3HD1  LEU  44          1HD1      LEU  44   3.546   6.929  -0.461
  358   1HD2  LEU  44          3HD2      LEU  44   5.087   4.696   2.417
  359   2HD2  LEU  44          2HD2      LEU  44   4.887   6.154   3.389
  360   3HD2  LEU  44          1HD2      LEU  44   3.483   5.392   2.643
  361    HA   PRO  45           HA       PRO  45   7.553  10.445   1.744
  362   1HB   PRO  45          2HB       PRO  45  10.289  10.622   1.788
  363   2HB   PRO  45          1HB       PRO  45   9.347   9.697   2.971
  364   1HG   PRO  45          2HG       PRO  45  10.981   8.712   0.682
  365   2HG   PRO  45          1HG       PRO  45  10.592   7.911   2.214
  366   1HD   PRO  45          2HD       PRO  45   9.364   7.378  -0.254
  367   2HD   PRO  45          1HD       PRO  45   8.742   6.905   1.338
  368    H    LYS  46           H        LYS  46   8.796   9.561  -1.378
  369    HA   LYS  46           HA       LYS  46   9.905  12.133  -2.086
  370   1HB   LYS  46          2HB       LYS  46   9.708   9.549  -3.260
  371   2HB   LYS  46          1HB       LYS  46   8.984  10.680  -4.403
  372   1HG   LYS  46          2HG       LYS  46  10.962  11.926  -4.620
  373   2HG   LYS  46          1HG       LYS  46  11.616  11.330  -3.093
  374   1HD   LYS  46          2HD       LYS  46  11.994   9.134  -4.037
  375   2HD   LYS  46          1HD       LYS  46  11.158   9.581  -5.526
  376   1HE   LYS  46          2HE       LYS  46  13.716  10.847  -4.495
  377   2HE   LYS  46          1HE       LYS  46  13.607   9.695  -5.826
  378   1HZ   LYS  46          2HZ       LYS  46  11.966  11.351  -6.819
  379   2HZ   LYS  46          1HZ       LYS  46  12.595  12.465  -5.702
  380   3HZ   LYS  46          3HZ       LYS  46  13.614  11.760  -6.859
  381    H    TYR  47           H        TYR  47   6.672  11.148  -1.647
  382    HA   TYR  47           HA       TYR  47   5.749  13.423  -3.356
  383   1HB   TYR  47          2HB       TYR  47   4.552  10.694  -2.910
  384   2HB   TYR  47          1HB       TYR  47   3.534  12.058  -3.383
  385    HD1  TYR  47           HD2      TYR  47   6.595  10.151  -4.349
  386    HD2  TYR  47           HD1      TYR  47   3.456  12.794  -5.626
  387    HE1  TYR  47           HE2      TYR  47   7.324   9.881  -6.705
  388    HE2  TYR  47           HE1      TYR  47   4.187  12.526  -7.982
  389    HH   TYR  47           HH       TYR  47   5.526  10.566  -9.282
  390    H    PHE  48           H        PHE  48   5.023  11.475  -0.461
  391    HA   PHE  48           HA       PHE  48   3.263  13.605   0.580
  392   1HB   PHE  48          2HB       PHE  48   4.092  10.941   1.772
  393   2HB   PHE  48          1HB       PHE  48   2.870  12.022   2.441
  394    HD1  PHE  48           HD2      PHE  48   3.743   9.960  -0.537
  395    HD2  PHE  48           HD1      PHE  48   0.653  12.066   1.577
  396    HE1  PHE  48           HE2      PHE  48   2.039   8.970  -2.040
  397    HE2  PHE  48           HE1      PHE  48  -1.051  11.076   0.073
  398    HZ   PHE  48           HZ       PHE  48  -0.357   9.527  -1.735
  399    H    LYS  49           H        LYS  49   3.677  13.884   3.139
  400    HA   LYS  49           HA       LYS  49   6.572  14.585   3.450
  401   1HB   LYS  49          2HB       LYS  49   4.145  15.996   4.610
  402   2HB   LYS  49          1HB       LYS  49   5.826  16.458   4.878
  403   1HG   LYS  49          2HG       LYS  49   5.936  16.511   2.252
  404   2HG   LYS  49          1HG       LYS  49   4.183  16.674   2.375
  405   1HD   LYS  49          2HD       LYS  49   5.006  18.904   2.363
  406   2HD   LYS  49          1HD       LYS  49   4.638  18.563   4.053
  407   1HE   LYS  49          2HE       LYS  49   7.220  17.689   3.910
  408   2HE   LYS  49          1HE       LYS  49   7.253  19.018   2.751
  409   1HZ   LYS  49          3HZ       LYS  49   5.989  19.379   5.385
  410   2HZ   LYS  49          2HZ       LYS  49   7.675  19.509   5.225
  411   3HZ   LYS  49          1HZ       LYS  49   6.653  20.546   4.348
  412    H    HIS  50           H        HIS  50   3.610  13.551   5.116
  413    HA   HIS  50           HA       HIS  50   5.330  12.179   7.129
  414   1HB   HIS  50          2HB       HIS  50   2.921  13.938   7.651
  415   2HB   HIS  50          1HB       HIS  50   3.542  12.793   8.842
  416    HD1  HIS  50           HD1      HIS  50   6.159  13.145   9.488
  417    HD2  HIS  50           HD2      HIS  50   4.289  16.356   7.600
  418    HE1  HIS  50           HE1      HIS  50   7.637  15.162   9.881
  419    H    SER  51           H        SER  51   4.724  10.494   5.395
  420    HA   SER  51           HA       SER  51   2.262   9.092   6.310
  421   1HB   SER  51          2HB       SER  51   1.671  10.265   4.222
  422   2HB   SER  51          1HB       SER  51   3.048   9.525   3.410
  423    HG   SER  51           HG       SER  51   0.783   8.524   3.340
  424    H    ASN  52           H        ASN  52   2.481   6.844   6.334
  425    HA   ASN  52           HA       ASN  52   5.132   5.770   5.455
  426   1HB   ASN  52          2HB       ASN  52   3.692   5.564   8.027
  427   2HB   ASN  52          1HB       ASN  52   4.297   4.026   7.412
  428   1HD2  ASN  52          2HD2      ASN  52   7.184   6.921   7.884
  429   2HD2  ASN  52          1HD2      ASN  52   5.713   7.335   7.144
  430    H    PHE  53           H        PHE  53   4.967   3.285   5.163
  431    HA   PHE  53           HA       PHE  53   3.155   2.669   3.095
  432   1HB   PHE  53          2HB       PHE  53   3.730   0.259   3.615
  433   2HB   PHE  53          1HB       PHE  53   5.119   1.316   3.370
  434    HD1  PHE  53           HD2      PHE  53   2.990  -0.277   5.982
  435    HD2  PHE  53           HD1      PHE  53   6.713   1.675   5.099
  436    HE1  PHE  53           HE2      PHE  53   3.833  -0.867   8.237
  437    HE2  PHE  53           HE1      PHE  53   7.557   1.084   7.356
  438    HZ   PHE  53           HZ       PHE  53   6.116  -0.187   8.925
  439    H    ALA  54           H        ALA  54   2.759   2.334   6.575
  440    HA   ALA  54           HA       ALA  54   0.421   0.653   6.493
  441   1HB   ALA  54          2HB       ALA  54   1.433   2.597   8.586
  442   2HB   ALA  54          1HB       ALA  54   0.048   1.533   8.829
  443   3HB   ALA  54          3HB       ALA  54   1.651   0.847   8.565
  444    H    SER  55           H        SER  55   0.877   4.182   6.595
  445    HA   SER  55           HA       SER  55  -1.949   4.789   6.700
  446   1HB   SER  55          2HB       SER  55   0.320   6.257   7.056
  447   2HB   SER  55          1HB       SER  55  -0.139   6.765   5.433
  448    HG   SER  55           HG       SER  55  -1.468   7.077   7.874
  449    H    PHE  56           H        PHE  56   0.264   3.972   4.133
  450    HA   PHE  56           HA       PHE  56  -1.318   5.068   1.966
  451   1HB   PHE  56          2HB       PHE  56   1.133   4.557   1.809
  452   2HB   PHE  56          1HB       PHE  56   0.744   2.842   1.896
  453    HD1  PHE  56           HD2      PHE  56  -1.014   5.614   0.087
  454    HD2  PHE  56           HD1      PHE  56   1.227   1.964  -0.227
  455    HE1  PHE  56           HE2      PHE  56  -1.413   5.581  -2.361
  456    HE2  PHE  56           HE1      PHE  56   0.829   1.931  -2.674
  457    HZ   PHE  56           HZ       PHE  56  -0.490   3.738  -3.740
  458    H    VAL  57           H        VAL  57  -1.040   1.913   3.533
  459    HA   VAL  57           HA       VAL  57  -2.876   0.577   1.726
  460    HB   VAL  57           HB       VAL  57  -2.082  -0.225   4.539
  461   1HG1  VAL  57          3HG1      VAL  57  -4.033  -1.406   3.489
  462   2HG1  VAL  57          2HG1      VAL  57  -2.968  -1.900   2.173
  463   3HG1  VAL  57          1HG1      VAL  57  -2.662  -2.467   3.814
  464   1HG2  VAL  57          3HG2      VAL  57  -0.375   0.154   2.355
  465   2HG2  VAL  57          2HG2      VAL  57  -0.037  -0.829   3.778
  466   3HG2  VAL  57          1HG2      VAL  57  -0.715  -1.576   2.332
  467    H    ARG  58           H        ARG  58  -3.204   2.448   4.673
  468    HA   ARG  58           HA       ARG  58  -5.886   1.543   5.307
  469   1HB   ARG  58          2HB       ARG  58  -3.931   3.354   6.426
  470   2HB   ARG  58          1HB       ARG  58  -5.496   4.160   6.352
  471   1HG   ARG  58          2HG       ARG  58  -6.480   2.048   7.402
  472   2HG   ARG  58          1HG       ARG  58  -4.820   1.550   7.722
  473   1HD   ARG  58          2HD       ARG  58  -4.480   3.760   8.900
  474   2HD   ARG  58          1HD       ARG  58  -6.216   4.033   8.746
  475    HE   ARG  58           HE       ARG  58  -5.577   1.469   9.978
  476   1HH1  ARG  58          2HH1      ARG  58  -7.544   4.033  10.344
  477   2HH1  ARG  58          1HH1      ARG  58  -7.310   4.259  12.045
  478   1HH2  ARG  58          1HH2      ARG  58  -4.601   2.097  12.221
  479   2HH2  ARG  58          2HH2      ARG  58  -5.639   3.161  13.109
  480    H    GLN  59           H        GLN  59  -4.608   4.509   3.762
  481    HA   GLN  59           HA       GLN  59  -7.140   5.682   3.183
  482   1HB   GLN  59          2HB       GLN  59  -4.497   5.911   1.716
  483   2HB   GLN  59          1HB       GLN  59  -5.888   6.955   1.428
  484   1HG   GLN  59          2HG       GLN  59  -4.724   6.621   4.192
  485   2HG   GLN  59          1HG       GLN  59  -4.080   7.812   3.062
  486   1HE2  GLN  59          2HE2      GLN  59  -6.608  10.106   3.863
  487   2HE2  GLN  59          1HE2      GLN  59  -5.006   9.830   3.376
  488    H    LEU  60           H        LEU  60  -5.101   3.458   1.298
  489    HA   LEU  60           HA       LEU  60  -6.673   3.426  -1.076
  490   1HB   LEU  60          2HB       LEU  60  -4.850   1.375   0.194
  491   2HB   LEU  60          1HB       LEU  60  -5.635   1.099  -1.361
  492    HG   LEU  60           HG       LEU  60  -3.994   3.574  -0.796
  493   1HD1  LEU  60          1HD1      LEU  60  -3.153   0.835  -1.726
  494   2HD1  LEU  60          3HD1      LEU  60  -2.283   2.268  -2.270
  495   3HD1  LEU  60          2HD1      LEU  60  -2.372   1.891  -0.550
  496   1HD2  LEU  60          2HD2      LEU  60  -5.096   2.211  -3.265
  497   2HD2  LEU  60          1HD2      LEU  60  -5.426   3.845  -2.690
  498   3HD2  LEU  60          3HD2      LEU  60  -3.841   3.448  -3.352
  499    H    ASN  61           H        ASN  61  -6.830   1.342   1.819
  500    HA   ASN  61           HA       ASN  61  -9.019  -0.258   0.839
  501   1HB   ASN  61          2HB       ASN  61  -7.637   0.129   3.454
  502   2HB   ASN  61          1HB       ASN  61  -9.236  -0.614   3.476
  503   1HD2  ASN  61          2HD2      ASN  61  -6.235  -2.586   1.455
  504   2HD2  ASN  61          1HD2      ASN  61  -6.190  -0.892   1.546
  505    H    MET  62           H        MET  62  -8.889   2.917   2.231
  506    HA   MET  62           HA       MET  62 -11.664   2.838   3.192
  507   1HB   MET  62          2HB       MET  62  -9.658   4.233   4.136
  508   2HB   MET  62          1HB       MET  62 -10.077   5.363   2.849
  509   1HG   MET  62          2HG       MET  62 -12.548   4.852   3.881
  510   2HG   MET  62          1HG       MET  62 -11.557   4.686   5.330
  511   1HE   MET  62          3HE       MET  62 -12.210   6.336   6.675
  512   2HE   MET  62          2HE       MET  62 -12.301   8.075   6.404
  513   3HE   MET  62          1HE       MET  62 -13.533   7.017   5.718
  514    H    TYR  63           H        TYR  63  -9.985   3.801   0.270
  515    HA   TYR  63           HA       TYR  63 -12.350   5.303  -0.689
  516   1HB   TYR  63          2HB       TYR  63  -9.554   4.889  -1.721
  517   2HB   TYR  63          1HB       TYR  63 -10.819   5.510  -2.785
  518    HD1  TYR  63           HD2      TYR  63 -12.239   7.493  -1.876
  519    HD2  TYR  63           HD1      TYR  63  -8.408   6.366  -0.299
  520    HE1  TYR  63           HE2      TYR  63 -11.994   9.745  -0.869
  521    HE2  TYR  63           HE1      TYR  63  -8.161   8.616   0.712
  522    HH   TYR  63           HH       TYR  63 -10.650  10.706   1.168
  523    H    GLY  64           H        GLY  64 -10.448   2.440  -1.679
  524   1HA   GLY  64          2HA       GLY  64 -12.490   0.710  -2.298
  525   2HA   GLY  64          1HA       GLY  64 -12.405   1.733  -3.731
  526    H    TRP  65           H        TRP  65 -10.179  -0.091  -1.592
  527    HA   TRP  65           HA       TRP  65  -8.879  -1.189  -4.040
  528   1HB   TRP  65          2HB       TRP  65  -7.524   0.216  -1.734
  529   2HB   TRP  65          1HB       TRP  65  -6.663  -0.969  -2.714
  530    HD1  TRP  65           HD1      TRP  65  -8.208   2.505  -2.868
  531    HE1  TRP  65           HE1      TRP  65  -7.445   3.668  -5.039
  532    HE3  TRP  65           HE3      TRP  65  -5.869  -1.400  -5.187
  533    HZ2  TRP  65           HZ2      TRP  65  -6.029   3.026  -7.442
  534    HZ3  TRP  65           HZ3      TRP  65  -4.824  -1.096  -7.412
  535    HH2  TRP  65           HH2      TRP  65  -4.901   1.108  -8.542
  536    H    HIS  66           H        HIS  66  -8.487  -3.372  -3.853
  537    HA   HIS  66           HA       HIS  66  -8.626  -4.575  -1.121
  538   1HB   HIS  66          2HB       HIS  66 -10.070  -5.505  -3.617
  539   2HB   HIS  66          1HB       HIS  66  -9.924  -6.471  -2.149
  540    HD1  HIS  66           HD1      HIS  66 -11.877  -6.234  -0.644
  541    HD2  HIS  66           HD2      HIS  66 -11.219  -2.746  -2.829
  542    HE1  HIS  66           HE1      HIS  66 -13.705  -4.616   0.027
  543    H    LYS  67           H        LYS  67  -6.912  -5.880  -0.748
  544    HA   LYS  67           HA       LYS  67  -5.072  -6.548  -2.943
  545   1HB   LYS  67          2HB       LYS  67  -4.712  -7.739  -0.221
  546   2HB   LYS  67          1HB       LYS  67  -3.507  -7.076  -1.316
  547   1HG   LYS  67          2HG       LYS  67  -4.694  -4.786  -0.802
  548   2HG   LYS  67          1HG       LYS  67  -5.291  -5.631   0.625
  549   1HD   LYS  67          2HD       LYS  67  -2.370  -5.404  -0.163
  550   2HD   LYS  67          1HD       LYS  67  -3.161  -4.433   1.079
  551   1HE   LYS  67          2HE       LYS  67  -3.085  -7.462   1.136
  552   2HE   LYS  67          1HE       LYS  67  -1.902  -6.446   1.960
  553   1HZ   LYS  67          3HZ       LYS  67  -3.716  -5.402   3.181
  554   2HZ   LYS  67          2HZ       LYS  67  -4.839  -6.414   2.405
  555   3HZ   LYS  67          1HZ       LYS  67  -3.678  -7.075   3.454
  556    H    VAL  68           H        VAL  68  -4.728  -8.649  -3.742
  557    HA   VAL  68           HA       VAL  68  -5.951 -10.983  -2.541
  558    HB   VAL  68           HB       VAL  68  -7.969  -9.919  -3.490
  559   1HG1  VAL  68          2HG1      VAL  68  -6.173  -9.520  -5.762
  560   2HG1  VAL  68          1HG1      VAL  68  -7.705 -10.246  -6.248
  561   3HG1  VAL  68          3HG1      VAL  68  -7.693  -8.714  -5.378
  562   1HG2  VAL  68          1HG2      VAL  68  -7.474 -12.475  -3.534
  563   2HG2  VAL  68          3HG2      VAL  68  -8.824 -11.871  -4.494
  564   3HG2  VAL  68          2HG2      VAL  68  -7.289 -12.254  -5.273
  565    H    GLN  69           H        GLN  69  -5.282 -12.923  -3.616
  566    HA   GLN  69           HA       GLN  69  -3.546 -12.603  -6.004
  567   1HB   GLN  69          2HB       GLN  69  -2.109 -12.405  -3.960
  568   2HB   GLN  69          1HB       GLN  69  -2.637 -14.019  -3.483
  569   1HG   GLN  69          2HG       GLN  69  -1.554 -15.048  -5.297
  570   2HG   GLN  69          1HG       GLN  69  -1.452 -13.542  -6.210
  571   1HE2  GLN  69          2HE2      GLN  69   1.256 -14.198  -3.182
  572   2HE2  GLN  69          1HE2      GLN  69  -0.236 -15.007  -3.147
  573    H    ASP  70           H        ASP  70  -4.290 -15.171  -3.609
  574    HA   ASP  70           HA       ASP  70  -5.931 -16.670  -5.461
  575   1HB   ASP  70          2HB       ASP  70  -3.620 -16.993  -6.430
  576   2HB   ASP  70          1HB       ASP  70  -3.171 -17.802  -4.927
  577    H    VAL  71           H        VAL  71  -7.323 -16.990  -3.743
  578    HA   VAL  71           HA       VAL  71  -8.128 -17.724  -1.670
  579    HB   VAL  71           HB       VAL  71  -7.787 -20.095  -1.299
  580   1HG1  VAL  71          2HG1      VAL  71  -9.155 -19.406  -3.236
  581   2HG1  VAL  71          1HG1      VAL  71  -7.718 -19.434  -4.257
  582   3HG1  VAL  71          3HG1      VAL  71  -8.326 -20.930  -3.550
  583   1HG2  VAL  71          3HG2      VAL  71  -5.242 -19.952  -1.659
  584   2HG2  VAL  71          2HG2      VAL  71  -6.050 -21.377  -2.313
  585   3HG2  VAL  71          1HG2      VAL  71  -5.594 -20.052  -3.384
  586    H    LYS  72           H        LYS  72  -7.068 -19.280   0.369
  587    HA   LYS  72           HA       LYS  72  -5.032 -17.412   1.482
  588   1HB   LYS  72          2HB       LYS  72  -7.219 -19.070   2.608
  589   2HB   LYS  72          1HB       LYS  72  -5.752 -18.986   3.583
  590   1HG   LYS  72          2HG       LYS  72  -6.983 -16.485   2.436
  591   2HG   LYS  72          1HG       LYS  72  -7.568 -17.168   3.954
  592   1HD   LYS  72          2HD       LYS  72  -5.056 -17.206   4.642
  593   2HD   LYS  72          1HD       LYS  72  -4.841 -16.060   3.319
  594   1HE   LYS  72          2HE       LYS  72  -7.028 -15.003   4.587
  595   2HE   LYS  72          1HE       LYS  72  -6.131 -15.678   5.947
  596   1HZ   LYS  72          3HZ       LYS  72  -4.901 -13.946   3.879
  597   2HZ   LYS  72          2HZ       LYS  72  -5.531 -13.351   5.341
  598   3HZ   LYS  72          1HZ       LYS  72  -4.222 -14.434   5.356
  599    H    SER  73           H        SER  73  -2.959 -18.109   1.321
  600    HA   SER  73           HA       SER  73  -2.388 -20.996   1.062
  601   1HB   SER  73          2HB       SER  73  -0.128 -20.298   0.493
  602   2HB   SER  73          1HB       SER  73  -1.266 -19.307  -0.415
  603    HG   SER  73           HG       SER  73   0.600 -18.336   0.920
  604    H    GLY  74           H        GLY  74  -3.210 -21.201   3.393
  605   1HA   GLY  74          2HA       GLY  74  -1.258 -20.305   5.433
  606   2HA   GLY  74          1HA       GLY  74  -2.817 -21.060   5.761
  607    H    SER  75           H        SER  75  -0.865 -22.585   3.335
  608    HA   SER  75           HA       SER  75   0.780 -24.258   4.931
  609   1HB   SER  75          2HB       SER  75  -0.740 -26.379   4.545
  610   2HB   SER  75          1HB       SER  75  -1.012 -25.354   5.950
  611    HG   SER  75           HG       SER  75  -2.975 -25.577   5.002
  612    H    MET  76           H        MET  76   1.716 -23.319   2.807
  613    HA   MET  76           HA       MET  76   1.955 -25.497   0.899
  614   1HB   MET  76          2HB       MET  76  -0.217 -24.272   0.265
  615   2HB   MET  76          1HB       MET  76   0.818 -22.925  -0.209
  616   1HG   MET  76          2HG       MET  76   0.462 -24.234  -2.188
  617   2HG   MET  76          1HG       MET  76   2.108 -24.575  -1.652
  618   1HE   MET  76          3HE       MET  76   1.361 -26.021  -3.530
  619   2HE   MET  76          2HE       MET  76   1.969 -27.566  -2.942
  620   3HE   MET  76          1HE       MET  76   0.284 -27.422  -3.438
  621    H    LEU  77           H        LEU  77   4.170 -25.387   0.989
  622    HA   LEU  77           HA       LEU  77   5.717 -22.993   1.195
  623   1HB   LEU  77          2HB       LEU  77   6.341 -25.810   0.311
  624   2HB   LEU  77          1HB       LEU  77   7.572 -24.550   0.262
  625    HG   LEU  77           HG       LEU  77   5.967 -24.954   2.767
  626   1HD1  LEU  77          3HD1      LEU  77   8.200 -26.671   1.708
  627   2HD1  LEU  77          2HD1      LEU  77   8.024 -26.420   3.444
  628   3HD1  LEU  77          1HD1      LEU  77   6.717 -27.163   2.524
  629   1HD2  LEU  77          2HD2      LEU  77   8.701 -23.889   2.032
  630   2HD2  LEU  77          1HD2      LEU  77   7.361 -23.018   2.779
  631   3HD2  LEU  77          3HD2      LEU  77   8.247 -24.234   3.701
  632    H    SER  78           H        SER  78   7.576 -22.891  -0.777
  633    HA   SER  78           HA       SER  78   7.980 -22.114  -2.948
  634   1HB   SER  78          2HB       SER  78   5.409 -23.403  -3.845
  635   2HB   SER  78          1HB       SER  78   6.907 -23.190  -4.745
  636    HG   SER  78           HG       SER  78   6.132 -25.210  -3.119
  637    H    ASN  79           H        ASN  79   7.599 -19.924  -2.353
  638    HA   ASN  79           HA       ASN  79   5.243 -18.735  -3.639
  639   1HB   ASN  79          2HB       ASN  79   5.525 -18.972  -0.688
  640   2HB   ASN  79          1HB       ASN  79   5.019 -17.395  -1.297
  641   1HD2  ASN  79          2HD2      ASN  79   2.206 -20.110  -0.966
  642   2HD2  ASN  79          1HD2      ASN  79   3.614 -19.996  -0.027
  643    H    ASN  80           H        ASN  80   5.690 -16.651  -4.321
  644    HA   ASN  80           HA       ASN  80   8.413 -15.747  -4.328
  645   1HB   ASN  80          2HB       ASN  80   5.794 -14.429  -5.058
  646   2HB   ASN  80          1HB       ASN  80   7.334 -13.579  -5.193
  647   1HD2  ASN  80          2HD2      ASN  80   6.274 -16.154  -8.082
  648   2HD2  ASN  80          1HD2      ASN  80   5.203 -15.618  -6.879
  649    H    ASP  81           H        ASP  81   5.554 -14.746  -2.463
  650    HA   ASP  81           HA       ASP  81   5.366 -13.478  -0.503
  651   1HB   ASP  81          2HB       ASP  81   8.122 -14.654  -0.298
  652   2HB   ASP  81          1HB       ASP  81   7.598 -13.459   0.887
  653    H    SER  82           H        SER  82   6.236 -12.206  -3.044
  654    HA   SER  82           HA       SER  82   7.078  -9.636  -1.890
  655   1HB   SER  82          2HB       SER  82   8.835  -9.609  -3.917
  656   2HB   SER  82          1HB       SER  82   9.275 -10.185  -2.312
  657    HG   SER  82           HG       SER  82   8.279 -11.805  -4.423
  658    H    ARG  83           H        ARG  83   4.675 -10.583  -3.170
  659    HA   ARG  83           HA       ARG  83   4.634  -8.724  -5.495
  660   1HB   ARG  83          2HB       ARG  83   4.072 -11.646  -5.501
  661   2HB   ARG  83          1HB       ARG  83   2.952 -10.631  -6.409
  662   1HG   ARG  83          2HG       ARG  83   4.456 -10.329  -8.062
  663   2HG   ARG  83          1HG       ARG  83   5.692  -9.811  -6.918
  664   1HD   ARG  83          2HD       ARG  83   5.690 -12.462  -6.396
  665   2HD   ARG  83          1HD       ARG  83   5.203 -12.499  -8.090
  666    HE   ARG  83           HE       ARG  83   7.423 -10.743  -7.869
  667   1HH1  ARG  83          2HH1      ARG  83   6.895 -13.433  -9.453
  668   2HH1  ARG  83          1HH1      ARG  83   8.329 -14.297  -9.006
  669   1HH2  ARG  83          1HH2      ARG  83   9.160 -12.122  -6.438
  670   2HH2  ARG  83          2HH2      ARG  83   9.609 -13.556  -7.301
  671    H    TRP  84           H        TRP  84   3.514  -7.321  -3.965
  672    HA   TRP  84           HA       TRP  84   0.940  -8.216  -2.862
  673   1HB   TRP  84          2HB       TRP  84   2.290  -5.501  -2.900
  674   2HB   TRP  84          1HB       TRP  84   0.765  -5.837  -2.088
  675    HD1  TRP  84           HD1      TRP  84   4.197  -7.655  -2.140
  676    HE1  TRP  84           HE1      TRP  84   4.841  -8.192   0.295
  677    HE3  TRP  84           HE3      TRP  84   0.196  -5.624   0.295
  678    HZ2  TRP  84           HZ2      TRP  84   3.798  -7.807   2.931
  679    HZ3  TRP  84           HZ3      TRP  84   0.046  -5.717   2.765
  680    HH2  TRP  84           HH2      TRP  84   1.841  -6.807   4.086
  681    H    GLU  85           H        GLU  85  -0.677  -8.456  -4.342
  682    HA   GLU  85           HA       GLU  85  -0.802  -6.752  -6.732
  683   1HB   GLU  85          2HB       GLU  85  -2.419  -9.068  -5.678
  684   2HB   GLU  85          1HB       GLU  85  -3.019  -8.096  -7.020
  685   1HG   GLU  85          2HG       GLU  85  -1.698  -9.235  -8.442
  686   2HG   GLU  85          1HG       GLU  85  -0.273  -8.689  -7.561
  687    H    PHE  86           H        PHE  86  -2.286  -5.108  -7.080
  688    HA   PHE  86           HA       PHE  86  -4.053  -4.392  -4.770
  689   1HB   PHE  86          2HB       PHE  86  -2.494  -2.591  -6.649
  690   2HB   PHE  86          1HB       PHE  86  -3.721  -2.007  -5.526
  691    HD1  PHE  86           HD1      PHE  86  -0.698  -4.256  -5.496
  692    HD2  PHE  86           HD2      PHE  86  -2.995  -1.256  -3.449
  693    HE1  PHE  86           HE1      PHE  86   0.976  -4.214  -3.667
  694    HE2  PHE  86           HE2      PHE  86  -1.313  -1.218  -1.628
  695    HZ   PHE  86           HZ       PHE  86   0.668  -2.699  -1.736
  696    H    GLU  87           H        GLU  87  -5.847  -5.492  -5.767
  697    HA   GLU  87           HA       GLU  87  -6.669  -4.828  -8.487
  698   1HB   GLU  87          2HB       GLU  87  -7.158  -7.020  -7.300
  699   2HB   GLU  87          1HB       GLU  87  -8.334  -6.139  -6.324
  700   1HG   GLU  87          2HG       GLU  87  -9.663  -5.601  -8.226
  701   2HG   GLU  87          1HG       GLU  87  -8.389  -6.090  -9.345
  702    H    ASN  88           H        ASN  88  -8.694  -3.712  -8.997
  703    HA   ASN  88           HA       ASN  88  -9.884  -2.042  -6.869
  704   1HB   ASN  88          2HB       ASN  88  -7.925  -0.747  -7.740
  705   2HB   ASN  88          1HB       ASN  88  -8.651  -0.799  -9.347
  706   1HD2  ASN  88          2HD2      ASN  88 -10.027   2.343  -8.306
  707   2HD2  ASN  88          1HD2      ASN  88  -8.757   1.631  -9.179
  708    H    GLU  89           H        GLU  89 -11.932  -2.851  -7.238
  709    HA   GLU  89           HA       GLU  89 -13.989  -3.153  -8.315
  710   1HB   GLU  89          2HB       GLU  89 -13.292  -0.665  -8.940
  711   2HB   GLU  89          1HB       GLU  89 -13.148  -1.358 -10.556
  712   1HG   GLU  89          2HG       GLU  89 -15.480  -2.354 -10.168
  713   2HG   GLU  89          1HG       GLU  89 -15.594  -1.267  -8.783
  714    H    ARG  90           H        ARG  90 -14.098  -5.189  -9.132
  715    HA   ARG  90           HA       ARG  90 -12.508  -5.908 -11.529
  716   1HB   ARG  90          2HB       ARG  90 -13.267  -8.214 -11.044
  717   2HB   ARG  90          1HB       ARG  90 -12.556  -7.473  -9.614
  718   1HG   ARG  90          2HG       ARG  90 -15.263  -6.765  -9.472
  719   2HG   ARG  90          1HG       ARG  90 -15.280  -8.438 -10.027
  720   1HD   ARG  90          2HD       ARG  90 -13.404  -8.633  -8.094
  721   2HD   ARG  90          1HD       ARG  90 -14.370  -7.315  -7.432
  722    HE   ARG  90           HE       ARG  90 -16.078  -9.465  -8.296
  723   1HH1  ARG  90          2HH1      ARG  90 -16.040  -7.817  -5.675
  724   2HH1  ARG  90          1HH1      ARG  90 -15.781  -9.080  -4.519
  725   1HH2  ARG  90          1HH2      ARG  90 -14.786 -11.406  -6.889
  726   2HH2  ARG  90          2HH2      ARG  90 -15.069 -11.111  -5.207
  727    H    HIS  91           H        HIS  91 -14.470  -7.873 -12.510
  728    HA   HIS  91           HA       HIS  91 -16.199  -5.981 -13.976
  729   1HB   HIS  91          2HB       HIS  91 -16.709  -7.938 -15.412
  730   2HB   HIS  91          1HB       HIS  91 -14.972  -7.681 -15.263
  731    HD1  HIS  91           HD1      HIS  91 -13.626  -9.390 -13.810
  732    HD2  HIS  91           HD2      HIS  91 -17.673 -10.308 -14.196
  733    HE1  HIS  91           HE1      HIS  91 -13.905 -11.765 -12.975
  734    H    ALA  92           HN       ALA  92 -17.040  -6.042 -11.388
  735    HA   ALA  92           HA       ALA  92 -19.581  -7.599 -11.573
  736   1HB   ALA  92          2HB       ALA  92 -17.696  -8.460  -9.918
  737   2HB   ALA  92          1HB       ALA  92 -18.303  -7.155  -8.898
  738   3HB   ALA  92          3HB       ALA  92 -19.387  -8.445  -9.418
   
  No H/Q in entry =         738
  Start of MODEL           4
 Raw file had  756 H/Q atoms
  Start of MODEL    4
    1   1H    ALA   1          3H        ALA   1 -16.523  15.829  -6.720
    2   2H    ALA   1          2H        ALA   1 -16.480  14.132  -6.785
    3   3H    ALA   1          1H        ALA   1 -17.898  14.931  -6.299
    4    HA   ALA   1           HA       ALA   1 -17.067  15.491  -4.240
    5   1HB   ALA   1          1HB       ALA   1 -17.149  12.901  -4.881
    6   2HB   ALA   1          3HB       ALA   1 -15.417  13.021  -4.577
    7   3HB   ALA   1          2HB       ALA   1 -16.566  13.438  -3.305
    8    H    ARG   2           H        ARG   2 -14.539  14.887  -6.599
    9    HA   ARG   2           HA       ARG   2 -12.354  15.697  -6.756
   10   1HB   ARG   2          2HB       ARG   2 -13.221  17.626  -4.578
   11   2HB   ARG   2          1HB       ARG   2 -11.854  17.822  -5.674
   12   1HG   ARG   2          2HG       ARG   2 -13.235  18.182  -7.540
   13   2HG   ARG   2          1HG       ARG   2 -14.636  17.444  -6.765
   14   1HD   ARG   2          2HD       ARG   2 -14.980  19.322  -5.350
   15   2HD   ARG   2          1HD       ARG   2 -13.377  19.976  -5.699
   16    HE   ARG   2           HE       ARG   2 -14.756  19.844  -8.160
   17   1HH1  ARG   2          1HH2      ARG   2 -13.866  22.019  -5.833
   18   2HH1  ARG   2          2HH2      ARG   2 -15.143  23.154  -6.123
   19   1HH2  ARG   2          2HH1      ARG   2 -16.906  21.040  -8.228
   20   2HH2  ARG   2          1HH1      ARG   2 -16.863  22.600  -7.476
   21    HA   PRO   3           HA       PRO   3 -11.060  13.551  -2.960
   22   1HB   PRO   3          2HB       PRO   3 -10.081  11.246  -4.084
   23   2HB   PRO   3          1HB       PRO   3 -11.763  11.444  -3.564
   24   1HG   PRO   3          2HG       PRO   3 -10.649  11.401  -6.317
   25   2HG   PRO   3          1HG       PRO   3 -12.282  11.007  -5.759
   26   1HD   PRO   3          2HD       PRO   3 -11.474  13.419  -7.008
   27   2HD   PRO   3          1HD       PRO   3 -13.024  13.121  -6.198
   28    H    ALA   4           H        ALA   4  -9.131  14.389  -2.301
   29    HA   ALA   4           HA       ALA   4  -7.022  15.072  -4.168
   30   1HB   ALA   4          3HB       ALA   4  -7.490  16.398  -2.130
   31   2HB   ALA   4          2HB       ALA   4  -6.975  15.032  -1.139
   32   3HB   ALA   4          1HB       ALA   4  -5.814  15.850  -2.186
   33    H    PHE   5           H        PHE   5  -7.644  12.278  -2.133
   34    HA   PHE   5           HA       PHE   5  -4.865  11.358  -2.214
   35   1HB   PHE   5          2HB       PHE   5  -6.502  10.765  -0.375
   36   2HB   PHE   5          1HB       PHE   5  -7.307   9.713  -1.540
   37    HD1  PHE   5           HD2      PHE   5  -4.035  10.381   0.115
   38    HD2  PHE   5           HD1      PHE   5  -6.430   7.569  -2.080
   39    HE1  PHE   5           HE2      PHE   5  -2.340   8.616   0.525
   40    HE2  PHE   5           HE1      PHE   5  -4.736   5.806  -1.672
   41    HZ   PHE   5           HZ       PHE   5  -2.691   6.329  -0.369
   42    H    VAL   6           H        VAL   6  -7.845  10.701  -4.018
   43    HA   VAL   6           HA       VAL   6  -6.716   8.495  -5.533
   44    HB   VAL   6           HB       VAL   6  -9.031  10.290  -6.302
   45   1HG1  VAL   6          1HG1      VAL   6  -8.133   7.518  -7.111
   46   2HG1  VAL   6          3HG1      VAL   6  -9.763   8.117  -7.423
   47   3HG1  VAL   6          2HG1      VAL   6  -8.373   8.923  -8.150
   48   1HG2  VAL   6          2HG2      VAL   6  -9.309   9.344  -4.021
   49   2HG2  VAL   6          1HG2      VAL   6 -10.460   8.649  -5.162
   50   3HG2  VAL   6          3HG2      VAL   6  -9.037   7.729  -4.675
   51    H    ASN   7           H        ASN   7  -6.929  11.988  -5.936
   52    HA   ASN   7           HA       ASN   7  -6.002  12.039  -8.674
   53   1HB   ASN   7          2HB       ASN   7  -6.183  14.084  -6.465
   54   2HB   ASN   7          1HB       ASN   7  -5.416  14.475  -8.005
   55   1HD2  ASN   7          2HD2      ASN   7  -9.170  15.151  -8.086
   56   2HD2  ASN   7          1HD2      ASN   7  -7.982  15.564  -6.946
   57    H    LYS   8           H        LYS   8  -4.351  12.577  -5.538
   58    HA   LYS   8           HA       LYS   8  -1.752  12.934  -6.704
   59   1HB   LYS   8          2HB       LYS   8  -0.884  12.739  -4.459
   60   2HB   LYS   8          1HB       LYS   8  -2.406  13.617  -4.362
   61   1HG   LYS   8          2HG       LYS   8  -3.500  11.342  -3.875
   62   2HG   LYS   8          1HG       LYS   8  -1.867  10.734  -3.618
   63   1HD   LYS   8          2HD       LYS   8  -3.180  13.024  -2.117
   64   2HD   LYS   8          1HD       LYS   8  -2.857  11.413  -1.479
   65   1HE   LYS   8          2HE       LYS   8  -0.421  11.787  -1.838
   66   2HE   LYS   8          1HE       LYS   8  -0.773  13.423  -2.391
   67   1HZ   LYS   8          1HZ       LYS   8  -1.505  12.343   0.275
   68   2HZ   LYS   8          3HZ       LYS   8  -0.158  13.327  -0.031
   69   3HZ   LYS   8          2HZ       LYS   8  -1.726  13.939  -0.263
   70    H    LEU   9           H        LEU   9  -3.652  10.103  -6.005
   71    HA   LEU   9           HA       LEU   9  -1.528   8.183  -5.870
   72   1HB   LEU   9          2HB       LEU   9  -3.874   7.714  -5.170
   73   2HB   LEU   9          1HB       LEU   9  -4.371   7.790  -6.860
   74    HG   LEU   9           HG       LEU   9  -2.781   5.939  -7.377
   75   1HD1  LEU   9          1HD1      LEU   9  -2.408   5.982  -4.370
   76   2HD1  LEU   9          3HD1      LEU   9  -1.894   4.650  -5.405
   77   3HD1  LEU   9          2HD1      LEU   9  -1.169   6.246  -5.597
   78   1HD2  LEU   9          3HD2      LEU   9  -5.243   5.628  -6.645
   79   2HD2  LEU   9          2HD2      LEU   9  -4.196   4.212  -6.575
   80   3HD2  LEU   9          1HD2      LEU   9  -4.579   5.098  -5.101
   81    H    TRP  10           H        TRP  10  -3.229   9.700  -8.564
   82    HA   TRP  10           HA       TRP  10  -2.175   7.900 -10.588
   83   1HB   TRP  10          2HB       TRP  10  -3.202  10.717 -10.966
   84   2HB   TRP  10          1HB       TRP  10  -3.089   9.457 -12.190
   85    HD1  TRP  10           HD1      TRP  10  -5.816  10.883 -11.453
   86    HE1  TRP  10           HE1      TRP  10  -7.799   9.480 -10.606
   87    HE3  TRP  10           HE3      TRP  10  -3.338   6.718  -9.769
   88    HZ2  TRP  10           HZ2      TRP  10  -8.281   6.947  -9.387
   89    HZ3  TRP  10           HZ3      TRP  10  -4.594   4.840  -8.779
   90    HH2  TRP  10           HH2      TRP  10  -7.060   4.945  -8.583
   91    H    SER  11           H        SER  11  -0.896  10.686  -8.939
   92    HA   SER  11           HA       SER  11   1.047  11.330 -11.025
   93   1HB   SER  11          2HB       SER  11   0.067  12.832  -9.074
   94   2HB   SER  11          1HB       SER  11   1.428  12.168  -8.176
   95    HG   SER  11           HG       SER  11   2.799  13.171  -9.484
   96    H    MET  12           H        MET  12   0.975   9.301  -8.157
   97    HA   MET  12           HA       MET  12   3.891   8.842  -8.295
   98   1HB   MET  12          2HB       MET  12   3.573   7.462  -6.296
   99   2HB   MET  12          1HB       MET  12   2.793   9.026  -6.085
  100   1HG   MET  12          2HG       MET  12   0.630   7.914  -6.858
  101   2HG   MET  12          1HG       MET  12   1.475   6.375  -6.721
  102   1HE   MET  12          1HE       MET  12   2.801   5.744  -5.032
  103   2HE   MET  12          3HE       MET  12   3.146   6.646  -3.551
  104   3HE   MET  12          2HE       MET  12   1.928   5.373  -3.549
  105    H    VAL  13           H        VAL  13   0.900   7.154  -9.100
  106    HA   VAL  13           HA       VAL  13   2.391   4.708  -9.815
  107    HB   VAL  13           HB       VAL  13  -0.566   5.264 -10.181
  108   1HG1  VAL  13          1HG1      VAL  13   1.089   3.121 -10.999
  109   2HG1  VAL  13          3HG1      VAL  13   0.210   2.529  -9.592
  110   3HG1  VAL  13          2HG1      VAL  13  -0.672   3.158 -10.981
  111   1HG2  VAL  13          2HG2      VAL  13   1.040   4.647  -7.767
  112   2HG2  VAL  13          1HG2      VAL  13  -0.557   5.379  -7.896
  113   3HG2  VAL  13          3HG2      VAL  13  -0.381   3.630  -7.994
  114    H    ASN  14           H        ASN  14   1.802   7.632 -11.348
  115    HA   ASN  14           HA       ASN  14   0.982   6.840 -13.960
  116   1HB   ASN  14          2HB       ASN  14   2.225   8.932 -14.702
  117   2HB   ASN  14          1HB       ASN  14   1.008   9.187 -13.453
  118   1HD2  ASN  14          2HD2      ASN  14   3.864  11.020 -12.124
  119   2HD2  ASN  14          1HD2      ASN  14   2.613  11.205 -13.256
  120    H    ASP  15           H        ASP  15   3.989   6.401 -12.275
  121    HA   ASP  15           HA       ASP  15   5.920   5.241 -12.886
  122   1HB   ASP  15          2HB       ASP  15   4.551   4.554 -15.496
  123   2HB   ASP  15          1HB       ASP  15   5.820   3.658 -14.666
  124    H    LYS  16           H        LYS  16   5.795   8.018 -13.396
  125    HA   LYS  16           HA       LYS  16   6.981   8.390 -16.083
  126   1HB   LYS  16          2HB       LYS  16   5.317  10.037 -15.084
  127   2HB   LYS  16          1HB       LYS  16   6.577  10.489 -13.936
  128   1HG   LYS  16          2HG       LYS  16   7.087  12.024 -15.561
  129   2HG   LYS  16          1HG       LYS  16   7.991  10.666 -16.230
  130   1HD   LYS  16          2HD       LYS  16   5.820  10.048 -17.466
  131   2HD   LYS  16          1HD       LYS  16   5.257  11.662 -17.034
  132   1HE   LYS  16          2HE       LYS  16   7.931  11.261 -18.367
  133   2HE   LYS  16          1HE       LYS  16   6.451  11.371 -19.318
  134   1HZ   LYS  16          2HZ       LYS  16   5.981  13.500 -18.277
  135   2HZ   LYS  16          1HZ       LYS  16   7.416  13.396 -17.372
  136   3HZ   LYS  16          3HZ       LYS  16   7.488  13.532 -19.062
  137    H    SER  17           H        SER  17   7.882   8.881 -12.665
  138    HA   SER  17           HA       SER  17  10.743   8.923 -13.539
  139   1HB   SER  17          2HB       SER  17   9.979  10.990 -12.402
  140   2HB   SER  17          1HB       SER  17   9.510  10.033 -11.000
  141    HG   SER  17           HG       SER  17  11.616   9.562 -10.617
  142    H    ASN  18           H        ASN  18   8.369   7.263 -11.607
  143    HA   ASN  18           HA       ASN  18  10.522   5.646 -10.326
  144   1HB   ASN  18          2HB       ASN  18   8.563   4.739  -8.929
  145   2HB   ASN  18          1HB       ASN  18   9.029   6.413  -8.637
  146   1HD2  ASN  18          2HD2      ASN  18   5.798   7.567  -9.364
  147   2HD2  ASN  18          1HD2      ASN  18   7.245   7.767  -8.504
  148    H    GLU  19           H        GLU  19   9.597   5.398 -13.164
  149    HA   GLU  19           HA       GLU  19   7.997   2.991 -13.393
  150   1HB   GLU  19          2HB       GLU  19   8.180   4.564 -15.267
  151   2HB   GLU  19          1HB       GLU  19   9.916   4.317 -15.348
  152   1HG   GLU  19          2HG       GLU  19   9.216   2.869 -17.021
  153   2HG   GLU  19          1HG       GLU  19   9.191   1.766 -15.649
  154    H    LYS  20           H        LYS  20   9.020   1.563 -11.901
  155    HA   LYS  20           HA       LYS  20  10.826  -0.326 -12.904
  156   1HB   LYS  20          2HB       LYS  20  12.312   1.921 -12.425
  157   2HB   LYS  20          1HB       LYS  20  12.401   1.141 -10.852
  158   1HG   LYS  20          2HG       LYS  20  12.936  -1.015 -12.237
  159   2HG   LYS  20          1HG       LYS  20  13.359   0.126 -13.512
  160   1HD   LYS  20          2HD       LYS  20  14.824   1.308 -11.787
  161   2HD   LYS  20          1HD       LYS  20  14.571  -0.097 -10.750
  162   1HE   LYS  20          2HE       LYS  20  15.277  -1.353 -13.034
  163   2HE   LYS  20          1HE       LYS  20  16.169   0.153 -13.244
  164   1HZ   LYS  20          2HZ       LYS  20  16.261  -1.414 -10.734
  165   2HZ   LYS  20          1HZ       LYS  20  17.349  -1.680 -12.013
  166   3HZ   LYS  20          3HZ       LYS  20  17.308  -0.174 -11.235
  167    H    PHE  21           H        PHE  21   9.694   1.453 -10.061
  168    HA   PHE  21           HA       PHE  21   9.768  -1.091  -8.493
  169   1HB   PHE  21          2HB       PHE  21   9.316   1.698  -7.410
  170   2HB   PHE  21          1HB       PHE  21   9.719   0.243  -6.501
  171    HD1  PHE  21           HD1      PHE  21  11.958  -0.975  -7.303
  172    HD2  PHE  21           HD2      PHE  21  11.038   3.173  -7.948
  173    HE1  PHE  21           HE1      PHE  21  14.371  -0.484  -7.595
  174    HE2  PHE  21           HE2      PHE  21  13.451   3.662  -8.240
  175    HZ   PHE  21           HZ       PHE  21  15.118   1.835  -8.062
  176    H    ILE  22           H        ILE  22   7.605   0.390 -10.430
  177    HA   ILE  22           HA       ILE  22   5.341  -0.901  -9.242
  178    HB   ILE  22           HB       ILE  22   5.530   0.967  -7.631
  179   1HG1  ILE  22          2HG1      ILE  22   3.165   1.576  -9.398
  180   2HG1  ILE  22          1HG1      ILE  22   3.279   0.035  -8.545
  181   1HG2  ILE  22          2HG2      ILE  22   6.495   2.478  -9.582
  182   2HG2  ILE  22          1HG2      ILE  22   4.799   2.921  -9.778
  183   3HG2  ILE  22          3HG2      ILE  22   5.612   3.200  -8.238
  184   1HD1  ILE  22          2HD1      ILE  22   3.889   1.707  -6.514
  185   2HD1  ILE  22          1HD1      ILE  22   2.851   2.772  -7.462
  186   3HD1  ILE  22          3HD1      ILE  22   2.234   1.224  -6.885
  187    H    HIS  23           H        HIS  23   3.766  -1.138 -10.796
  188    HA   HIS  23           HA       HIS  23   3.438   0.768 -12.983
  189   1HB   HIS  23          2HB       HIS  23   3.968  -0.922 -14.766
  190   2HB   HIS  23          1HB       HIS  23   5.384  -0.399 -13.855
  191    HD1  HIS  23           HD1      HIS  23   5.944  -2.064 -11.704
  192    HD2  HIS  23           HD2      HIS  23   3.706  -3.669 -14.833
  193    HE1  HIS  23           HE1      HIS  23   6.095  -4.581 -11.473
  194    H    TRP  24           H        TRP  24   1.703  -0.062 -14.523
  195    HA   TRP  24           HA       TRP  24  -0.460  -1.229 -12.961
  196   1HB   TRP  24          2HB       TRP  24  -0.299  -0.568 -15.920
  197   2HB   TRP  24          1HB       TRP  24  -1.769  -1.001 -15.058
  198    HD1  TRP  24           HD1      TRP  24   0.346   1.162 -12.891
  199    HE1  TRP  24           HE1      TRP  24  -0.527   3.584 -12.916
  200    HE3  TRP  24           HE3      TRP  24  -2.905   0.897 -16.829
  201    HZ2  TRP  24           HZ2      TRP  24  -2.361   5.194 -14.393
  202    HZ3  TRP  24           HZ3      TRP  24  -4.202   2.893 -17.517
  203    HH2  TRP  24           HH2      TRP  24  -3.936   5.039 -16.305
  204    H    SER  25           H        SER  25  -1.485  -3.263 -13.370
  205    HA   SER  25           HA       SER  25   0.281  -5.425 -14.040
  206   1HB   SER  25          2HB       SER  25  -1.951  -5.385 -12.629
  207   2HB   SER  25          1HB       SER  25  -2.704  -5.730 -14.183
  208    HG   SER  25           HG       SER  25  -1.256  -7.343 -12.549
  209    H    THR  26           H        THR  26  -0.589  -7.116 -15.779
  210    HA   THR  26           HA       THR  26  -0.515  -5.697 -18.354
  211    HB   THR  26           HB       THR  26  -0.745  -8.678 -17.860
  212    HG1  THR  26           HG1      THR  26   1.549  -7.027 -18.096
  213   1HG2  THR  26          2HG2      THR  26  -0.220  -6.911 -20.198
  214   2HG2  THR  26          1HG2      THR  26   0.707  -8.409 -20.101
  215   3HG2  THR  26          3HG2      THR  26  -1.055  -8.463 -20.125
  216    H    SER  27           H        SER  27  -2.788  -7.644 -16.471
  217    HA   SER  27           HA       SER  27  -4.906  -6.945 -18.467
  218   1HB   SER  27          2HB       SER  27  -4.219  -9.512 -17.154
  219   2HB   SER  27          1HB       SER  27  -5.937  -9.127 -17.212
  220    HG   SER  27           HG       SER  27  -5.039 -10.262 -19.086
  221    H    GLY  28           H        GLY  28  -5.830  -5.190 -17.435
  222   1HA   GLY  28          2HA       GLY  28  -7.740  -4.772 -15.855
  223   2HA   GLY  28          1HA       GLY  28  -6.804  -5.645 -14.640
  224    H    GLU  29           H        GLU  29  -7.097  -3.595 -13.388
  225    HA   GLU  29           HA       GLU  29  -4.977  -1.615 -14.124
  226   1HB   GLU  29          2HB       GLU  29  -6.422   0.121 -13.012
  227   2HB   GLU  29          1HB       GLU  29  -7.122  -0.543 -14.489
  228   1HG   GLU  29          2HG       GLU  29  -7.768  -1.857 -11.873
  229   2HG   GLU  29          1HG       GLU  29  -8.582  -0.349 -12.290
  230    H    SER  30           H        SER  30  -4.599  -3.903 -12.454
  231    HA   SER  30           HA       SER  30  -4.778  -3.020  -9.659
  232   1HB   SER  30          2HB       SER  30  -5.022  -5.372  -9.982
  233   2HB   SER  30          1HB       SER  30  -3.606  -5.452 -11.025
  234    HG   SER  30           HG       SER  30  -2.305  -5.149  -9.276
  235    H    ILE  31           H        ILE  31  -2.749  -2.950  -8.303
  236    HA   ILE  31           HA       ILE  31  -0.554  -1.644  -9.859
  237    HB   ILE  31           HB       ILE  31  -1.080  -1.406  -6.883
  238   1HG1  ILE  31          2HG1      ILE  31  -1.780   0.670  -8.965
  239   2HG1  ILE  31          1HG1      ILE  31  -2.950  -0.551  -8.463
  240   1HG2  ILE  31          1HG2      ILE  31   0.736  -0.072  -8.879
  241   2HG2  ILE  31          3HG2      ILE  31   0.249   0.777  -7.412
  242   3HG2  ILE  31          2HG2      ILE  31   1.133  -0.744  -7.297
  243   1HD1  ILE  31          3HD1      ILE  31  -1.519   1.367  -6.601
  244   2HD1  ILE  31          2HD1      ILE  31  -3.193   1.521  -7.135
  245   3HD1  ILE  31          1HD1      ILE  31  -2.712   0.160  -6.122
  246    H    VAL  32           H        VAL  32   1.059  -3.076 -10.229
  247    HA   VAL  32           HA       VAL  32   1.575  -5.307  -8.392
  248    HB   VAL  32           HB       VAL  32   3.142  -4.433 -10.836
  249   1HG1  VAL  32          3HG1      VAL  32   4.137  -6.075  -9.109
  250   2HG1  VAL  32          2HG1      VAL  32   2.896  -7.202  -9.657
  251   3HG1  VAL  32          1HG1      VAL  32   4.103  -6.599 -10.792
  252   1HG2  VAL  32          3HG2      VAL  32   0.741  -4.853 -11.339
  253   2HG2  VAL  32          2HG2      VAL  32   1.789  -6.072 -12.064
  254   3HG2  VAL  32          1HG2      VAL  32   0.882  -6.447 -10.598
  255    H    VAL  33           H        VAL  33   3.342  -5.491  -7.015
  256    HA   VAL  33           HA       VAL  33   5.070  -3.062  -6.754
  257    HB   VAL  33           HB       VAL  33   4.134  -4.980  -4.591
  258   1HG1  VAL  33          3HG1      VAL  33   6.169  -2.779  -4.651
  259   2HG1  VAL  33          2HG1      VAL  33   5.178  -2.956  -3.203
  260   3HG1  VAL  33          1HG1      VAL  33   6.187  -4.294  -3.750
  261   1HG2  VAL  33          1HG2      VAL  33   3.395  -2.150  -5.358
  262   2HG2  VAL  33          3HG2      VAL  33   2.323  -3.538  -5.160
  263   3HG2  VAL  33          2HG2      VAL  33   3.076  -2.794  -3.748
  264    HA   PRO  34           HA       PRO  34   7.772  -6.603  -7.802
  265   1HB   PRO  34          2HB       PRO  34   9.658  -5.125  -9.144
  266   2HB   PRO  34          1HB       PRO  34   8.233  -5.835  -9.925
  267   1HG   PRO  34          2HG       PRO  34   8.770  -2.995  -9.224
  268   2HG   PRO  34          1HG       PRO  34   7.719  -3.664 -10.484
  269   1HD   PRO  34          2HD       PRO  34   6.878  -2.635  -7.987
  270   2HD   PRO  34          1HD       PRO  34   5.889  -3.574  -9.122
  271    H    ASN  35           H        ASN  35   8.263  -3.470  -6.328
  272    HA   ASN  35           HA       ASN  35  10.291  -4.655  -4.525
  273   1HB   ASN  35          2HB       ASN  35  10.864  -2.691  -6.598
  274   2HB   ASN  35          1HB       ASN  35  11.234  -2.044  -5.001
  275   1HD2  ASN  35          2HD2      ASN  35  13.419  -5.192  -6.459
  276   2HD2  ASN  35          1HD2      ASN  35  11.960  -4.760  -7.211
  277    H    ARG  36           H        ARG  36   8.926  -4.489  -2.752
  278    HA   ARG  36           HA       ARG  36   7.457  -1.983  -2.239
  279   1HB   ARG  36          2HB       ARG  36   6.507  -4.288  -1.776
  280   2HB   ARG  36          1HB       ARG  36   7.682  -4.431  -0.469
  281   1HG   ARG  36          2HG       ARG  36   6.355  -1.891  -0.223
  282   2HG   ARG  36          1HG       ARG  36   5.133  -3.147  -0.407
  283   1HD   ARG  36          2HD       ARG  36   7.350  -3.830   1.427
  284   2HD   ARG  36          1HD       ARG  36   6.311  -2.514   1.970
  285    HE   ARG  36           HE       ARG  36   5.137  -5.130   1.132
  286   1HH1  ARG  36          1HH2      ARG  36   3.755  -2.530   2.229
  287   2HH1  ARG  36          2HH2      ARG  36   3.356  -3.071   3.826
  288   1HH2  ARG  36          2HH1      ARG  36   5.425  -5.853   3.684
  289   2HH2  ARG  36          1HH1      ARG  36   4.303  -4.955   4.650
  290    H    GLU  37           H        GLU  37  10.275  -3.714  -1.059
  291    HA   GLU  37           HA       GLU  37  10.665  -2.084   1.300
  292   1HB   GLU  37          2HB       GLU  37  12.938  -3.089   1.332
  293   2HB   GLU  37          1HB       GLU  37  11.677  -4.306   1.138
  294   1HG   GLU  37          2HG       GLU  37  12.088  -4.440  -1.248
  295   2HG   GLU  37          1HG       GLU  37  13.214  -3.087  -1.170
  296    H    ARG  38           H        ARG  38  11.434  -1.663  -2.077
  297    HA   ARG  38           HA       ARG  38  13.294   0.571  -1.455
  298   1HB   ARG  38          2HB       ARG  38  12.534  -0.805  -4.046
  299   2HB   ARG  38          1HB       ARG  38  13.597   0.601  -3.965
  300   1HG   ARG  38          2HG       ARG  38  14.214  -1.719  -2.187
  301   2HG   ARG  38          1HG       ARG  38  14.580  -1.876  -3.905
  302   1HD   ARG  38          2HD       ARG  38  15.997   0.069  -3.860
  303   2HD   ARG  38          1HD       ARG  38  15.471   0.483  -2.227
  304    HE   ARG  38           HE       ARG  38  16.607  -2.128  -2.161
  305   1HH1  ARG  38          1HH2      ARG  38  18.408  -0.356  -4.002
  306   2HH1  ARG  38          2HH2      ARG  38  19.607   0.136  -2.853
  307   1HH2  ARG  38          2HH1      ARG  38  17.748  -0.843  -0.095
  308   2HH2  ARG  38          1HH1      ARG  38  19.233  -0.139  -0.642
  309    H    PHE  39           H        PHE  39  10.208  -0.093  -3.062
  310    HA   PHE  39           HA       PHE  39   9.686   2.547  -4.005
  311   1HB   PHE  39          2HB       PHE  39   8.352   0.791  -4.891
  312   2HB   PHE  39          1HB       PHE  39   7.941   0.182  -3.294
  313    HD1  PHE  39           HD2      PHE  39   6.429   1.557  -1.803
  314    HD2  PHE  39           HD1      PHE  39   7.001   2.445  -5.975
  315    HE1  PHE  39           HE2      PHE  39   4.335   2.891  -1.811
  316    HE2  PHE  39           HE1      PHE  39   4.909   3.779  -5.975
  317    HZ   PHE  39           HZ       PHE  39   3.577   4.000  -3.895
  318    H    VAL  40           H        VAL  40   9.072   1.009  -0.863
  319    HA   VAL  40           HA       VAL  40   7.551   3.262   0.162
  320    HB   VAL  40           HB       VAL  40   8.874   0.896   1.532
  321   1HG1  VAL  40          3HG1      VAL  40   8.591   2.890   3.060
  322   2HG1  VAL  40          2HG1      VAL  40   6.862   2.829   2.723
  323   3HG1  VAL  40          1HG1      VAL  40   7.650   1.478   3.537
  324   1HG2  VAL  40          3HG2      VAL  40   6.947   0.460  -0.021
  325   2HG2  VAL  40          2HG2      VAL  40   6.617   0.014   1.653
  326   3HG2  VAL  40          1HG2      VAL  40   5.954   1.508   0.992
  327    H    GLN  41           H        GLN  41  10.768   1.981   0.958
  328    HA   GLN  41           HA       GLN  41  11.575   4.174   2.586
  329   1HB   GLN  41          2HB       GLN  41  12.633   1.713   1.902
  330   2HB   GLN  41          1HB       GLN  41  13.776   2.839   1.171
  331   1HG   GLN  41          2HG       GLN  41  14.419   3.726   3.208
  332   2HG   GLN  41          1HG       GLN  41  12.860   3.397   3.964
  333   1HE2  GLN  41          2HE2      GLN  41  15.684   0.892   4.899
  334   2HE2  GLN  41          1HE2      GLN  41  15.818   2.560   4.612
  335    H    GLU  42           H        GLU  42  11.237   4.124  -0.836
  336    HA   GLU  42           HA       GLU  42  13.011   6.533  -0.988
  337   1HB   GLU  42          2HB       GLU  42  12.495   4.505  -3.179
  338   2HB   GLU  42          1HB       GLU  42  13.548   5.915  -3.295
  339   1HG   GLU  42          2HG       GLU  42  14.309   4.445  -0.954
  340   2HG   GLU  42          1HG       GLU  42  14.183   3.304  -2.292
  341    H    VAL  43           H        VAL  43  10.301   4.956  -2.724
  342    HA   VAL  43           HA       VAL  43   9.460   7.523  -3.836
  343    HB   VAL  43           HB       VAL  43   8.012   4.867  -3.933
  344   1HG1  VAL  43          3HG1      VAL  43   7.580   7.542  -5.099
  345   2HG1  VAL  43          2HG1      VAL  43   7.521   6.227  -6.272
  346   3HG1  VAL  43          1HG1      VAL  43   6.443   6.213  -4.877
  347   1HG2  VAL  43          2HG2      VAL  43  10.371   4.750  -4.774
  348   2HG2  VAL  43          1HG2      VAL  43   9.176   4.491  -6.043
  349   3HG2  VAL  43          3HG2      VAL  43   9.993   6.048  -5.907
  350    H    LEU  44           H        LEU  44   8.894   6.127  -0.787
  351    HA   LEU  44           HA       LEU  44   6.098   7.013  -0.595
  352   1HB   LEU  44          2HB       LEU  44   7.092   5.070   0.733
  353   2HB   LEU  44          1HB       LEU  44   7.868   6.284   1.742
  354    HG   LEU  44           HG       LEU  44   5.594   7.323   2.092
  355   1HD1  LEU  44          1HD1      LEU  44   4.796   4.801   0.625
  356   2HD1  LEU  44          3HD1      LEU  44   3.680   5.683   1.667
  357   3HD1  LEU  44          2HD1      LEU  44   4.356   6.464   0.238
  358   1HD2  LEU  44          2HD2      LEU  44   6.784   5.599   3.619
  359   2HD2  LEU  44          1HD2      LEU  44   5.057   5.855   3.869
  360   3HD2  LEU  44          3HD2      LEU  44   5.618   4.438   2.983
  361    HA   PRO  45           HA       PRO  45   7.992  10.460   1.982
  362   1HB   PRO  45          2HB       PRO  45  10.687  10.933   1.913
  363   2HB   PRO  45          1HB       PRO  45   9.907   9.900   3.124
  364   1HG   PRO  45          2HG       PRO  45  11.557   9.120   0.775
  365   2HG   PRO  45          1HG       PRO  45  11.293   8.258   2.300
  366   1HD   PRO  45          2HD       PRO  45  10.049   7.682  -0.170
  367   2HD   PRO  45          1HD       PRO  45   9.582   7.049   1.414
  368    H    LYS  46           H        LYS  46   8.664   9.757  -1.249
  369    HA   LYS  46           HA       LYS  46   9.721  12.389  -1.986
  370   1HB   LYS  46          2HB       LYS  46   9.887   9.947  -3.165
  371   2HB   LYS  46          1HB       LYS  46   8.556  10.648  -4.084
  372   1HG   LYS  46          2HG       LYS  46   9.870  12.385  -4.921
  373   2HG   LYS  46          1HG       LYS  46  11.032  12.276  -3.598
  374   1HD   LYS  46          2HD       LYS  46  11.759  10.052  -4.481
  375   2HD   LYS  46          1HD       LYS  46  10.684  10.288  -5.859
  376   1HE   LYS  46          2HE       LYS  46  12.160  12.664  -5.729
  377   2HE   LYS  46          1HE       LYS  46  13.336  11.396  -5.382
  378   1HZ   LYS  46          3HZ       LYS  46  12.557  10.220  -7.369
  379   2HZ   LYS  46          2HZ       LYS  46  11.505  11.509  -7.717
  380   3HZ   LYS  46          1HZ       LYS  46  13.186  11.751  -7.741
  381    H    TYR  47           H        TYR  47   6.589  10.783  -1.890
  382    HA   TYR  47           HA       TYR  47   5.344  13.202  -3.119
  383   1HB   TYR  47          2HB       TYR  47   4.299  10.386  -2.714
  384   2HB   TYR  47          1HB       TYR  47   3.310  11.720  -3.309
  385    HD1  TYR  47           HD2      TYR  47   6.523   9.917  -3.982
  386    HD2  TYR  47           HD1      TYR  47   3.296  12.243  -5.602
  387    HE1  TYR  47           HE2      TYR  47   7.412   9.557  -6.269
  388    HE2  TYR  47           HE1      TYR  47   4.184  11.882  -7.889
  389    HH   TYR  47           HH       TYR  47   7.154  11.016  -8.588
  390    H    PHE  48           H        PHE  48   5.457  11.230  -0.212
  391    HA   PHE  48           HA       PHE  48   3.484  13.072   1.075
  392   1HB   PHE  48          2HB       PHE  48   4.432  10.321   1.943
  393   2HB   PHE  48          1HB       PHE  48   3.254  11.312   2.803
  394    HD1  PHE  48           HD2      PHE  48   3.910   9.551  -0.411
  395    HD2  PHE  48           HD1      PHE  48   0.976  11.398   2.122
  396    HE1  PHE  48           HE2      PHE  48   2.102   8.665  -1.859
  397    HE2  PHE  48           HE1      PHE  48  -0.834  10.511   0.673
  398    HZ   PHE  48           HZ       PHE  48  -0.270   9.144  -1.317
  399    H    LYS  49           H        LYS  49   4.101  13.024   3.656
  400    HA   LYS  49           HA       LYS  49   7.017  13.673   3.841
  401   1HB   LYS  49          2HB       LYS  49   4.645  15.253   4.850
  402   2HB   LYS  49          1HB       LYS  49   6.272  15.487   5.492
  403   1HG   LYS  49          2HG       LYS  49   7.119  16.163   3.366
  404   2HG   LYS  49          1HG       LYS  49   5.663  15.615   2.534
  405   1HD   LYS  49          2HD       LYS  49   4.387  17.413   3.296
  406   2HD   LYS  49          1HD       LYS  49   5.441  17.706   4.679
  407   1HE   LYS  49          2HE       LYS  49   6.001  19.462   3.224
  408   2HE   LYS  49          1HE       LYS  49   7.248  18.261   2.884
  409   1HZ   LYS  49          3HZ       LYS  49   4.719  18.310   1.360
  410   2HZ   LYS  49          2HZ       LYS  49   6.024  19.307   0.922
  411   3HZ   LYS  49          1HZ       LYS  49   6.206  17.618   0.926
  412    H    HIS  50           H        HIS  50   4.347  13.710   6.208
  413    HA   HIS  50           HA       HIS  50   5.948  11.839   7.891
  414   1HB   HIS  50          2HB       HIS  50   3.876  13.941   8.529
  415   2HB   HIS  50          1HB       HIS  50   4.298  12.689   9.698
  416    HD1  HIS  50           HD1      HIS  50   5.943  15.450   7.666
  417    HD2  HIS  50           HD2      HIS  50   6.670  13.163  11.074
  418    HE1  HIS  50           HE1      HIS  50   8.025  16.411   8.741
  419    H    SER  51           H        SER  51   5.090  10.074   6.472
  420    HA   SER  51           HA       SER  51   2.518   9.078   7.566
  421   1HB   SER  51          2HB       SER  51   3.050   9.821   4.744
  422   2HB   SER  51          1HB       SER  51   2.242   8.276   4.989
  423    HG   SER  51           HG       SER  51   0.750   9.441   6.349
  424    H    ASN  52           H        ASN  52   2.251   6.732   6.313
  425    HA   ASN  52           HA       ASN  52   4.869   5.383   6.108
  426   1HB   ASN  52          2HB       ASN  52   3.365   5.382   8.535
  427   2HB   ASN  52          1HB       ASN  52   3.229   3.769   7.841
  428   1HD2  ASN  52          2HD2      ASN  52   6.637   2.952   8.396
  429   2HD2  ASN  52          1HD2      ASN  52   5.184   2.485   7.653
  430    H    PHE  53           H        PHE  53   4.702   3.343   5.029
  431    HA   PHE  53           HA       PHE  53   2.824   3.080   2.981
  432   1HB   PHE  53          2HB       PHE  53   3.489   0.659   2.912
  433   2HB   PHE  53          1HB       PHE  53   4.854   1.771   2.953
  434    HD1  PHE  53           HD2      PHE  53   2.871  -0.662   4.898
  435    HD2  PHE  53           HD1      PHE  53   6.289   1.938   4.910
  436    HE1  PHE  53           HE2      PHE  53   3.706  -1.769   6.953
  437    HE2  PHE  53           HE1      PHE  53   7.126   0.830   6.964
  438    HZ   PHE  53           HZ       PHE  53   5.833  -1.022   7.987
  439    H    ALA  54           H        ALA  54   2.552   1.944   6.306
  440    HA   ALA  54           HA       ALA  54   0.301   0.217   5.983
  441   1HB   ALA  54          2HB       ALA  54   1.162   1.930   8.333
  442   2HB   ALA  54          1HB       ALA  54  -0.107   0.708   8.416
  443   3HB   ALA  54          3HB       ALA  54   1.554   0.232   8.064
  444    H    SER  55           H        SER  55   0.443   3.686   6.860
  445    HA   SER  55           HA       SER  55  -2.388   4.096   6.920
  446   1HB   SER  55          2HB       SER  55  -0.044   5.945   6.479
  447   2HB   SER  55          1HB       SER  55  -1.702   6.536   6.433
  448    HG   SER  55           HG       SER  55  -1.977   5.780   8.537
  449    H    PHE  56           H        PHE  56  -0.062   3.979   4.302
  450    HA   PHE  56           HA       PHE  56  -1.620   5.238   2.262
  451   1HB   PHE  56          2HB       PHE  56   0.847   4.561   2.175
  452   2HB   PHE  56          1HB       PHE  56   0.286   2.921   1.849
  453    HD1  PHE  56           HD2      PHE  56  -1.464   2.670  -0.092
  454    HD2  PHE  56           HD1      PHE  56   1.142   6.051   0.399
  455    HE1  PHE  56           HE2      PHE  56  -1.766   3.252  -2.483
  456    HE2  PHE  56           HE1      PHE  56   0.839   6.630  -1.993
  457    HZ   PHE  56           HZ       PHE  56  -0.612   5.231  -3.430
  458    H    VAL  57           H        VAL  57  -1.351   1.830   3.274
  459    HA   VAL  57           HA       VAL  57  -3.187   0.754   1.370
  460    HB   VAL  57           HB       VAL  57  -2.676  -0.241   4.188
  461   1HG1  VAL  57          3HG1      VAL  57  -4.594  -1.199   2.768
  462   2HG1  VAL  57          2HG1      VAL  57  -3.338  -1.835   1.706
  463   3HG1  VAL  57          1HG1      VAL  57  -3.416  -2.356   3.389
  464   1HG2  VAL  57          2HG2      VAL  57  -1.024  -0.252   1.711
  465   2HG2  VAL  57          1HG2      VAL  57  -0.519  -0.276   3.400
  466   3HG2  VAL  57          3HG2      VAL  57  -1.080  -1.758   2.626
  467    H    ARG  58           H        ARG  58  -3.638   2.256   4.532
  468    HA   ARG  58           HA       ARG  58  -6.381   1.563   4.909
  469   1HB   ARG  58          2HB       ARG  58  -4.631   3.802   5.904
  470   2HB   ARG  58          1HB       ARG  58  -6.356   3.786   6.276
  471   1HG   ARG  58          2HG       ARG  58  -6.163   1.592   7.310
  472   2HG   ARG  58          1HG       ARG  58  -4.470   1.477   6.831
  473   1HD   ARG  58          2HD       ARG  58  -4.023   2.346   8.879
  474   2HD   ARG  58          1HD       ARG  58  -4.535   3.884   8.186
  475    HE   ARG  58           HE       ARG  58  -5.960   2.419  10.202
  476   1HH1  ARG  58          1HH2      ARG  58  -6.058   5.303   8.724
  477   2HH1  ARG  58          2HH2      ARG  58  -7.772   5.389   8.490
  478   1HH2  ARG  58          2HH1      ARG  58  -8.317   2.061   9.303
  479   2HH2  ARG  58          1HH1      ARG  58  -9.052   3.551   8.818
  480    H    GLN  59           H        GLN  59  -4.872   4.349   3.259
  481    HA   GLN  59           HA       GLN  59  -7.294   5.743   2.668
  482   1HB   GLN  59          2HB       GLN  59  -4.809   5.657   0.936
  483   2HB   GLN  59          1HB       GLN  59  -6.033   6.923   0.961
  484   1HG   GLN  59          2HG       GLN  59  -4.159   6.199   3.234
  485   2HG   GLN  59          1HG       GLN  59  -4.075   7.646   2.237
  486   1HE2  GLN  59          2HE2      GLN  59  -6.145   8.000   5.525
  487   2HE2  GLN  59          1HE2      GLN  59  -4.767   7.043   5.266
  488    H    LEU  60           H        LEU  60  -5.485   3.325   0.751
  489    HA   LEU  60           HA       LEU  60  -7.187   3.289  -1.518
  490   1HB   LEU  60          2HB       LEU  60  -5.693   0.952  -0.292
  491   2HB   LEU  60          1HB       LEU  60  -6.310   1.031  -1.939
  492    HG   LEU  60           HG       LEU  60  -4.291   2.973  -0.786
  493   1HD1  LEU  60          1HD1      LEU  60  -4.025   0.338  -2.150
  494   2HD1  LEU  60          3HD1      LEU  60  -2.929   1.618  -2.673
  495   3HD1  LEU  60          2HD1      LEU  60  -2.955   1.114  -0.983
  496   1HD2  LEU  60          1HD2      LEU  60  -5.327   2.477  -3.596
  497   2HD2  LEU  60          3HD2      LEU  60  -5.627   3.908  -2.610
  498   3HD2  LEU  60          2HD2      LEU  60  -3.998   3.566  -3.195
  499    H    ASN  61           H        ASN  61  -7.467   1.580   1.570
  500    HA   ASN  61           HA       ASN  61  -9.706  -0.065   0.811
  501   1HB   ASN  61          2HB       ASN  61  -8.075  -0.208   2.881
  502   2HB   ASN  61          1HB       ASN  61  -9.282   0.829   3.644
  503   1HD2  ASN  61          2HD2      ASN  61 -10.148  -3.088   2.931
  504   2HD2  ASN  61          1HD2      ASN  61  -8.687  -2.413   2.393
  505    H    MET  62           H        MET  62  -9.409   3.229   1.979
  506    HA   MET  62           HA       MET  62 -12.289   3.453   2.537
  507   1HB   MET  62          2HB       MET  62 -10.029   4.784   3.454
  508   2HB   MET  62          1HB       MET  62 -10.782   5.966   2.385
  509   1HG   MET  62          2HG       MET  62 -11.827   6.365   4.461
  510   2HG   MET  62          1HG       MET  62 -12.988   5.350   3.608
  511   1HE   MET  62          2HE       MET  62 -13.920   5.364   5.776
  512   2HE   MET  62          1HE       MET  62 -14.224   3.636   5.614
  513   3HE   MET  62          3HE       MET  62 -13.535   4.281   7.111
  514    H    TYR  63           H        TYR  63 -10.936   3.099  -0.329
  515    HA   TYR  63           HA       TYR  63 -12.577   5.259  -1.577
  516   1HB   TYR  63          2HB       TYR  63  -9.849   4.225  -2.311
  517   2HB   TYR  63          1HB       TYR  63 -10.892   4.941  -3.541
  518    HD1  TYR  63           HD2      TYR  63 -12.146   7.173  -2.658
  519    HD2  TYR  63           HD1      TYR  63  -8.378   5.683  -1.249
  520    HE1  TYR  63           HE2      TYR  63 -11.555   9.442  -1.860
  521    HE2  TYR  63           HE1      TYR  63  -7.784   7.954  -0.436
  522    HH   TYR  63           HH       TYR  63  -9.696  10.219   0.229
  523    H    GLY  64           H        GLY  64 -11.293   1.947  -1.977
  524   1HA   GLY  64          2HA       GLY  64 -13.636   0.682  -2.696
  525   2HA   GLY  64          1HA       GLY  64 -13.085   1.390  -4.212
  526    H    TRP  65           H        TRP  65 -10.225   1.065  -3.461
  527    HA   TRP  65           HA       TRP  65  -9.783  -1.526  -4.610
  528   1HB   TRP  65          2HB       TRP  65  -7.853   0.158  -2.968
  529   2HB   TRP  65          1HB       TRP  65  -7.415  -1.165  -4.048
  530    HD1  TRP  65           HD1      TRP  65  -8.828   2.399  -4.099
  531    HE1  TRP  65           HE1      TRP  65  -8.479   3.391  -6.451
  532    HE3  TRP  65           HE3      TRP  65  -7.040  -1.719  -6.543
  533    HZ2  TRP  65           HZ2      TRP  65  -7.563   2.555  -9.025
  534    HZ3  TRP  65           HZ3      TRP  65  -6.436  -1.590  -8.943
  535    HH2  TRP  65           HH2      TRP  65  -6.696   0.541 -10.187
  536    H    HIS  66           H        HIS  66  -8.952  -3.437  -3.598
  537    HA   HIS  66           HA       HIS  66  -9.174  -3.567  -0.633
  538   1HB   HIS  66          2HB       HIS  66 -10.605  -5.349  -2.619
  539   2HB   HIS  66          1HB       HIS  66 -10.397  -5.772  -0.921
  540    HD1  HIS  66           HD1      HIS  66 -11.338  -3.844   0.810
  541    HD2  HIS  66           HD2      HIS  66 -12.831  -3.775  -3.082
  542    HE1  HIS  66           HE1      HIS  66 -13.461  -2.466   0.884
  543    H    LYS  67           H        LYS  67  -7.302  -4.426   0.090
  544    HA   LYS  67           HA       LYS  67  -5.322  -5.612  -1.584
  545   1HB   LYS  67          2HB       LYS  67  -4.286  -6.352   0.589
  546   2HB   LYS  67          1HB       LYS  67  -4.692  -4.635   0.543
  547   1HG   LYS  67          2HG       LYS  67  -6.546  -4.902   1.953
  548   2HG   LYS  67          1HG       LYS  67  -6.676  -6.629   1.613
  549   1HD   LYS  67          2HD       LYS  67  -4.684  -7.102   2.895
  550   2HD   LYS  67          1HD       LYS  67  -4.341  -5.381   3.086
  551   1HE   LYS  67          2HE       LYS  67  -6.510  -5.138   4.315
  552   2HE   LYS  67          1HE       LYS  67  -6.709  -6.889   4.229
  553   1HZ   LYS  67          3HZ       LYS  67  -4.351  -6.904   5.249
  554   2HZ   LYS  67          2HZ       LYS  67  -4.724  -5.317   5.727
  555   3HZ   LYS  67          1HZ       LYS  67  -5.688  -6.615   6.253
  556    H    VAL  68           H        VAL  68  -4.445  -7.945  -0.837
  557    HA   VAL  68           HA       VAL  68  -6.344  -9.855  -1.803
  558    HB   VAL  68           HB       VAL  68  -4.651 -11.546  -1.051
  559   1HG1  VAL  68          1HG1      VAL  68  -4.543 -10.057  -3.191
  560   2HG1  VAL  68          3HG1      VAL  68  -3.220  -9.242  -2.360
  561   3HG1  VAL  68          2HG1      VAL  68  -3.107 -10.963  -2.722
  562   1HG2  VAL  68          2HG2      VAL  68  -4.006 -10.030   0.963
  563   2HG2  VAL  68          1HG2      VAL  68  -2.714 -10.904   0.140
  564   3HG2  VAL  68          3HG2      VAL  68  -2.971  -9.191  -0.193
  565    H    GLN  69           H        GLN  69  -6.608 -11.995  -0.334
  566    HA   GLN  69           HA       GLN  69  -7.387 -11.203   2.429
  567   1HB   GLN  69          2HB       GLN  69  -9.320 -11.200   0.623
  568   2HB   GLN  69          1HB       GLN  69  -9.242 -12.949   0.844
  569   1HG   GLN  69          2HG       GLN  69  -9.388 -12.492   3.358
  570   2HG   GLN  69          1HG       GLN  69  -9.823 -10.838   2.929
  571   1HE2  GLN  69          2HE2      GLN  69 -13.014 -11.799   1.536
  572   2HE2  GLN  69          1HE2      GLN  69 -11.764 -10.667   1.349
  573    H    ASP  70           H        ASP  70  -5.159 -12.778   1.401
  574    HA   ASP  70           HA       ASP  70  -5.891 -15.476   2.473
  575   1HB   ASP  70          2HB       ASP  70  -3.912 -16.301   1.169
  576   2HB   ASP  70          1HB       ASP  70  -5.187 -15.634   0.149
  577    H    VAL  71           H        VAL  71  -4.770 -16.177   4.255
  578    HA   VAL  71           HA       VAL  71  -2.361 -14.610   5.081
  579    HB   VAL  71           HB       VAL  71  -3.138 -14.965   7.467
  580   1HG1  VAL  71          2HG1      VAL  71  -4.768 -13.296   5.540
  581   2HG1  VAL  71          1HG1      VAL  71  -4.925 -13.163   7.293
  582   3HG1  VAL  71          3HG1      VAL  71  -3.390 -12.783   6.513
  583   1HG2  VAL  71          3HG2      VAL  71  -4.743 -16.790   6.990
  584   2HG2  VAL  71          2HG2      VAL  71  -5.536 -15.438   7.800
  585   3HG2  VAL  71          1HG2      VAL  71  -5.738 -15.666   6.063
  586    H    LYS  72           H        LYS  72  -4.134 -17.689   5.335
  587    HA   LYS  72           HA       LYS  72  -1.552 -19.110   5.429
  588   1HB   LYS  72          2HB       LYS  72  -3.093 -18.612   7.794
  589   2HB   LYS  72          1HB       LYS  72  -3.207 -20.333   7.431
  590   1HG   LYS  72          2HG       LYS  72  -0.503 -19.135   7.162
  591   2HG   LYS  72          1HG       LYS  72  -1.140 -19.239   8.805
  592   1HD   LYS  72          2HD       LYS  72  -1.803 -21.700   7.959
  593   2HD   LYS  72          1HD       LYS  72  -0.410 -21.425   6.912
  594   1HE   LYS  72          2HE       LYS  72  -0.388 -21.070   9.922
  595   2HE   LYS  72          1HE       LYS  72   0.206 -22.502   9.080
  596   1HZ   LYS  72          1HZ       LYS  72   1.210 -19.733   8.697
  597   2HZ   LYS  72          3HZ       LYS  72   1.996 -20.954   9.572
  598   3HZ   LYS  72          2HZ       LYS  72   1.782 -21.117   7.894
  599    H    SER  73           H        SER  73  -2.278 -19.864   3.347
  600    HA   SER  73           HA       SER  73  -4.766 -21.457   3.244
  601   1HB   SER  73          2HB       SER  73  -2.800 -20.422   1.237
  602   2HB   SER  73          1HB       SER  73  -3.768 -21.831   0.811
  603    HG   SER  73           HG       SER  73  -5.149 -20.299   0.305
  604    H    GLY  74           H        GLY  74  -1.264 -21.967   2.724
  605   1HA   GLY  74          2HA       GLY  74  -1.374 -24.613   3.915
  606   2HA   GLY  74          1HA       GLY  74  -1.208 -24.688   2.160
  607    H    SER  75           H        SER  75   0.807 -24.403   1.292
  608    HA   SER  75           HA       SER  75   2.959 -23.420   3.125
  609   1HB   SER  75          2HB       SER  75   3.293 -25.789   2.754
  610   2HB   SER  75          1HB       SER  75   3.054 -25.600   1.020
  611    HG   SER  75           HG       SER  75   5.209 -25.558   1.233
  612    H    MET  76           H        MET  76   1.621 -21.558   1.645
  613    HA   MET  76           HA       MET  76   3.165 -21.132  -0.855
  614   1HB   MET  76          2HB       MET  76   0.509 -20.609  -0.128
  615   2HB   MET  76          1HB       MET  76   1.270 -19.019  -0.158
  616   1HG   MET  76          2HG       MET  76   2.217 -19.633  -2.432
  617   2HG   MET  76          1HG       MET  76   1.180 -21.060  -2.395
  618   1HE   MET  76          3HE       MET  76  -0.147 -20.713  -4.335
  619   2HE   MET  76          2HE       MET  76  -0.987 -19.247  -4.834
  620   3HE   MET  76          1HE       MET  76   0.775 -19.288  -4.833
  621    H    LEU  77           H        LEU  77   4.306 -20.828   1.936
  622    HA   LEU  77           HA       LEU  77   4.678 -17.990   2.386
  623   1HB   LEU  77          2HB       LEU  77   5.845 -20.518   3.483
  624   2HB   LEU  77          1HB       LEU  77   6.732 -19.014   3.738
  625    HG   LEU  77           HG       LEU  77   3.786 -19.307   4.370
  626   1HD1  LEU  77          1HD1      LEU  77   6.235 -19.900   6.018
  627   2HD1  LEU  77          3HD1      LEU  77   4.761 -19.321   6.794
  628   3HD1  LEU  77          2HD1      LEU  77   4.742 -20.829   5.880
  629   1HD2  LEU  77          3HD2      LEU  77   5.940 -17.265   4.943
  630   2HD2  LEU  77          2HD2      LEU  77   4.377 -17.016   4.165
  631   3HD2  LEU  77          1HD2      LEU  77   4.459 -17.336   5.898
  632    H    SER  78           H        SER  78   7.023 -17.093   2.367
  633    HA   SER  78           HA       SER  78   8.883 -16.446   1.094
  634   1HB   SER  78          2HB       SER  78   9.333 -18.998   1.530
  635   2HB   SER  78          1HB       SER  78   8.930 -19.173  -0.175
  636    HG   SER  78           HG       SER  78  10.578 -17.734  -0.671
  637    H    ASN  79           H        ASN  79   6.715 -15.447   0.010
  638    HA   ASN  79           HA       ASN  79   7.260 -15.296  -2.806
  639   1HB   ASN  79          2HB       ASN  79   5.917 -17.569  -2.330
  640   2HB   ASN  79          1HB       ASN  79   4.545 -16.463  -2.390
  641   1HD2  ASN  79          2HD2      ASN  79   4.899 -15.775  -5.874
  642   2HD2  ASN  79          1HD2      ASN  79   4.220 -15.225  -4.419
  643    H    ASN  80           H        ASN  80   4.654 -14.992  -0.382
  644    HA   ASN  80           HA       ASN  80   3.853 -12.412  -1.635
  645   1HB   ASN  80          2HB       ASN  80   1.897 -12.582  -0.046
  646   2HB   ASN  80          1HB       ASN  80   1.990 -13.897  -1.216
  647   1HD2  ASN  80          2HD2      ASN  80   2.396 -14.699   2.751
  648   2HD2  ASN  80          1HD2      ASN  80   2.206 -13.105   2.199
  649    H    ASP  81           H        ASP  81   6.329 -12.737  -0.065
  650    HA   ASP  81           HA       ASP  81   5.698 -11.161   2.380
  651   1HB   ASP  81          2HB       ASP  81   8.101 -11.647   2.973
  652   2HB   ASP  81          1HB       ASP  81   7.093 -13.085   2.818
  653    H    SER  82           H        SER  82   7.217 -10.922  -0.760
  654    HA   SER  82           HA       SER  82   7.572  -8.022  -0.326
  655   1HB   SER  82          2HB       SER  82   9.831  -9.920  -0.983
  656   2HB   SER  82          1HB       SER  82   9.909  -8.204  -1.371
  657    HG   SER  82           HG       SER  82  10.796  -8.755   0.705
  658    H    ARG  83           H        ARG  83   5.874  -9.839  -1.990
  659    HA   ARG  83           HA       ARG  83   6.207  -8.423  -4.524
  660   1HB   ARG  83          2HB       ARG  83   7.699 -10.647  -4.394
  661   2HB   ARG  83          1HB       ARG  83   6.162 -11.391  -4.836
  662   1HG   ARG  83          2HG       ARG  83   6.700  -8.992  -6.418
  663   2HG   ARG  83          1HG       ARG  83   7.980 -10.192  -6.588
  664   1HD   ARG  83          2HD       ARG  83   5.040 -10.868  -6.862
  665   2HD   ARG  83          1HD       ARG  83   6.065 -10.439  -8.233
  666    HE   ARG  83           HE       ARG  83   6.894 -12.704  -6.491
  667   1HH1  ARG  83          2HH1      ARG  83   8.525 -13.288  -8.403
  668   2HH1  ARG  83          1HH1      ARG  83   7.670 -13.901  -9.780
  669   1HH2  ARG  83          1HH2      ARG  83   4.589 -12.699  -8.737
  670   2HH2  ARG  83          2HH2      ARG  83   5.442 -13.568  -9.968
  671    H    TRP  84           H        TRP  84   4.048  -7.721  -4.021
  672    HA   TRP  84           HA       TRP  84   2.014  -9.790  -4.599
  673   1HB   TRP  84          2HB       TRP  84   0.488  -8.476  -2.918
  674   2HB   TRP  84          1HB       TRP  84   1.585  -9.711  -2.322
  675    HD1  TRP  84           HD1      TRP  84   4.190  -8.497  -1.839
  676    HE1  TRP  84           HE1      TRP  84   4.594  -6.455  -0.305
  677    HE3  TRP  84           HE3      TRP  84  -0.492  -6.483  -1.824
  678    HZ2  TRP  84           HZ2      TRP  84   3.108  -4.261   0.785
  679    HZ3  TRP  84           HZ3      TRP  84  -0.977  -4.425  -0.530
  680    HH2  TRP  84           HH2      TRP  84   0.814  -3.313   0.774
  681    H    GLU  85           H        GLU  85  -0.266  -8.362  -4.752
  682    HA   GLU  85           HA       GLU  85   0.382  -5.951  -6.391
  683   1HB   GLU  85          2HB       GLU  85  -1.546  -8.160  -7.167
  684   2HB   GLU  85          1HB       GLU  85  -1.281  -6.667  -8.068
  685   1HG   GLU  85          2HG       GLU  85   1.042  -7.263  -8.471
  686   2HG   GLU  85          1HG       GLU  85   0.886  -8.696  -7.454
  687    H    PHE  86           H        PHE  86  -1.859  -4.856  -6.987
  688    HA   PHE  86           HA       PHE  86  -3.557  -4.848  -4.518
  689   1HB   PHE  86          2HB       PHE  86  -2.518  -2.589  -6.219
  690   2HB   PHE  86          1HB       PHE  86  -3.980  -2.390  -5.255
  691    HD1  PHE  86           HD2      PHE  86  -0.467  -3.679  -4.913
  692    HD2  PHE  86           HD1      PHE  86  -3.767  -1.643  -3.062
  693    HE1  PHE  86           HE2      PHE  86   0.916  -3.271  -2.895
  694    HE2  PHE  86           HE1      PHE  86  -2.384  -1.235  -1.045
  695    HZ   PHE  86           HZ       PHE  86  -0.043  -2.049  -0.961
  696    H    GLU  87           H        GLU  87  -5.363  -5.969  -5.209
  697    HA   GLU  87           HA       GLU  87  -6.477  -5.340  -7.898
  698   1HB   GLU  87          2HB       GLU  87  -7.277  -7.514  -5.938
  699   2HB   GLU  87          1HB       GLU  87  -7.827  -7.355  -7.606
  700   1HG   GLU  87          2HG       GLU  87  -5.406  -7.519  -8.321
  701   2HG   GLU  87          1HG       GLU  87  -5.011  -7.929  -6.652
  702    H    ASN  88           H        ASN  88  -8.543  -4.445  -8.121
  703    HA   ASN  88           HA       ASN  88  -9.528  -2.790  -6.019
  704   1HB   ASN  88          2HB       ASN  88 -11.015  -3.813  -8.455
  705   2HB   ASN  88          1HB       ASN  88 -11.488  -2.433  -7.463
  706   1HD2  ASN  88          2HD2      ASN  88  -9.357  -0.217  -9.162
  707   2HD2  ASN  88          1HD2      ASN  88 -10.659  -0.433  -8.095
  708    H    GLU  89           H        GLU  89 -10.764  -5.821  -7.334
  709    HA   GLU  89           HA       GLU  89 -11.827  -7.632  -6.273
  710   1HB   GLU  89          2HB       GLU  89 -10.654  -6.680  -4.114
  711   2HB   GLU  89          1HB       GLU  89 -12.269  -6.075  -3.745
  712   1HG   GLU  89          2HG       GLU  89 -13.134  -8.173  -3.423
  713   2HG   GLU  89          1HG       GLU  89 -12.098  -8.900  -4.651
  714    H    ARG  90           H        ARG  90 -13.292  -4.723  -4.803
  715    HA   ARG  90           HA       ARG  90 -15.538  -4.084  -4.668
  716   1HB   ARG  90          2HB       ARG  90 -16.508  -3.549  -6.830
  717   2HB   ARG  90          1HB       ARG  90 -14.785  -3.195  -6.859
  718   1HG   ARG  90          2HG       ARG  90 -14.317  -5.223  -8.085
  719   2HG   ARG  90          1HG       ARG  90 -15.984  -5.774  -7.904
  720   1HD   ARG  90          2HD       ARG  90 -16.054  -4.859 -10.043
  721   2HD   ARG  90          1HD       ARG  90 -16.544  -3.471  -9.072
  722    HE   ARG  90           HE       ARG  90 -13.807  -3.198  -9.189
  723   1HH1  ARG  90          2HH1      ARG  90 -16.435  -2.360 -11.030
  724   2HH1  ARG  90          1HH1      ARG  90 -15.569  -2.123 -12.511
  725   1HH2  ARG  90          1HH2      ARG  90 -12.613  -3.478 -11.309
  726   2HH2  ARG  90          2HH2      ARG  90 -13.405  -2.754 -12.669
  727    H    HIS  91           H        HIS  91 -17.822  -4.836  -6.110
  728    HA   HIS  91           HA       HIS  91 -18.068  -7.772  -5.766
  729   1HB   HIS  91          2HB       HIS  91 -18.641  -6.597  -3.583
  730   2HB   HIS  91          1HB       HIS  91 -19.996  -5.856  -4.432
  731    HD1  HIS  91           HD1      HIS  91 -20.206  -8.015  -2.068
  732    HD2  HIS  91           HD2      HIS  91 -20.676  -8.779  -6.139
  733    HE1  HIS  91           HE1      HIS  91 -21.604 -10.120  -2.245
  734    H    ALA  92           HN       ALA  92 -20.214  -4.934  -6.243
  735    HA   ALA  92           HA       ALA  92 -21.921  -6.283  -8.107
  736   1HB   ALA  92          1HB       ALA  92 -22.321  -4.080  -6.770
  737   2HB   ALA  92          3HB       ALA  92 -21.506  -3.299  -8.125
  738   3HB   ALA  92          2HB       ALA  92 -22.992  -4.207  -8.396
   
  No H/Q in entry =         738
  Start of MODEL           5
 Raw file had  756 H/Q atoms
  Start of MODEL    5
    1   1H    ALA   1          2H        ALA   1 -15.526  11.016  -8.164
    2   2H    ALA   1          1H        ALA   1 -17.138  11.089  -7.635
    3   3H    ALA   1          3H        ALA   1 -16.515  12.320  -8.622
    4    HA   ALA   1           HA       ALA   1 -16.589  13.165  -6.417
    5   1HB   ALA   1          2HB       ALA   1 -16.598  10.782  -5.448
    6   2HB   ALA   1          1HB       ALA   1 -14.839  10.851  -5.569
    7   3HB   ALA   1          3HB       ALA   1 -15.699  12.001  -4.545
    8    H    ARG   2           H        ARG   2 -14.695  14.254  -5.338
    9    HA   ARG   2           HA       ARG   2 -12.253  14.193  -7.065
   10   1HB   ARG   2          2HB       ARG   2 -13.778  16.186  -7.470
   11   2HB   ARG   2          1HB       ARG   2 -13.444  16.683  -5.812
   12   1HG   ARG   2          2HG       ARG   2 -10.924  16.365  -6.568
   13   2HG   ARG   2          1HG       ARG   2 -11.608  16.616  -8.176
   14   1HD   ARG   2          2HD       ARG   2 -12.171  18.476  -5.859
   15   2HD   ARG   2          1HD       ARG   2 -10.829  18.726  -6.976
   16    HE   ARG   2           HE       ARG   2 -13.052  18.421  -8.622
   17   1HH1  ARG   2          2HH1      ARG   2 -11.315  20.895  -7.406
   18   2HH1  ARG   2          1HH1      ARG   2 -12.608  22.043  -7.294
   19   1HH2  ARG   2          1HH2      ARG   2 -15.096  19.693  -7.855
   20   2HH2  ARG   2          2HH2      ARG   2 -14.749  21.362  -7.548
   21    HA   PRO   3           HA       PRO   3 -10.955  14.048  -2.730
   22   1HB   PRO   3          2HB       PRO   3  -9.861  11.537  -2.621
   23   2HB   PRO   3          1HB       PRO   3 -11.574  11.868  -2.312
   24   1HG   PRO   3          2HG       PRO   3 -10.316  10.584  -4.671
   25   2HG   PRO   3          1HG       PRO   3 -11.979  10.458  -4.076
   26   1HD   PRO   3          2HD       PRO   3 -11.064  12.050  -6.258
   27   2HD   PRO   3          1HD       PRO   3 -12.687  12.050  -5.542
   28    H    ALA   4           H        ALA   4  -8.871  14.569  -2.011
   29    HA   ALA   4           HA       ALA   4  -6.832  15.046  -4.006
   30   1HB   ALA   4          3HB       ALA   4  -6.867  15.246  -0.988
   31   2HB   ALA   4          2HB       ALA   4  -5.433  15.623  -1.944
   32   3HB   ALA   4          1HB       ALA   4  -6.910  16.561  -2.162
   33    H    PHE   5           H        PHE   5  -7.551  12.379  -1.878
   34    HA   PHE   5           HA       PHE   5  -4.918  11.215  -1.779
   35   1HB   PHE   5          2HB       PHE   5  -6.802  10.570  -0.262
   36   2HB   PHE   5          1HB       PHE   5  -7.604   9.804  -1.633
   37    HD1  PHE   5           HD2      PHE   5  -4.544   9.731   0.480
   38    HD2  PHE   5           HD1      PHE   5  -6.927   7.649  -2.424
   39    HE1  PHE   5           HE2      PHE   5  -3.186   7.685   0.833
   40    HE2  PHE   5           HE1      PHE   5  -5.567   5.603  -2.074
   41    HZ   PHE   5           HZ       PHE   5  -3.696   5.621  -0.446
   42    H    VAL   6           H        VAL   6  -7.768  10.408  -3.814
   43    HA   VAL   6           HA       VAL   6  -6.377   8.544  -5.477
   44    HB   VAL   6           HB       VAL   6  -8.826  10.228  -6.100
   45   1HG1  VAL   6          3HG1      VAL   6  -7.375   8.085  -7.574
   46   2HG1  VAL   6          2HG1      VAL   6  -9.133   7.951  -7.531
   47   3HG1  VAL   6          1HG1      VAL   6  -8.374   9.398  -8.196
   48   1HG2  VAL   6          1HG2      VAL   6  -8.395   7.530  -4.807
   49   2HG2  VAL   6          3HG2      VAL   6  -9.307   8.904  -4.181
   50   3HG2  VAL   6          2HG2      VAL   6  -9.938   7.970  -5.538
   51    H    ASN   7           H        ASN   7  -6.892  12.058  -5.787
   52    HA   ASN   7           HA       ASN   7  -5.748  12.328  -8.405
   53   1HB   ASN   7          2HB       ASN   7  -6.131  14.210  -6.081
   54   2HB   ASN   7          1HB       ASN   7  -5.233  14.727  -7.507
   55   1HD2  ASN   7          2HD2      ASN   7  -9.192  13.731  -8.098
   56   2HD2  ASN   7          1HD2      ASN   7  -8.285  12.837  -6.976
   57    H    LYS   8           H        LYS   8  -4.366  12.034  -5.208
   58    HA   LYS   8           HA       LYS   8  -1.661  12.755  -6.044
   59   1HB   LYS   8          2HB       LYS   8  -1.871  13.274  -3.817
   60   2HB   LYS   8          1HB       LYS   8  -3.098  12.054  -3.541
   61   1HG   LYS   8          2HG       LYS   8  -0.389  10.947  -4.022
   62   2HG   LYS   8          1HG       LYS   8  -0.522  11.948  -2.584
   63   1HD   LYS   8          2HD       LYS   8  -1.486  10.229  -1.499
   64   2HD   LYS   8          1HD       LYS   8  -2.849  10.321  -2.611
   65   1HE   LYS   8          2HE       LYS   8  -1.124   8.986  -4.183
   66   2HE   LYS   8          1HE       LYS   8  -0.525   8.465  -2.609
   67   1HZ   LYS   8          1HZ       LYS   8  -3.404   8.396  -3.222
   68   2HZ   LYS   8          3HZ       LYS   8  -2.386   7.126  -3.697
   69   3HZ   LYS   8          2HZ       LYS   8  -2.538   7.518  -2.054
   70    H    LEU   9           H        LEU   9  -3.622   9.876  -5.921
   71    HA   LEU   9           HA       LEU   9  -1.421   7.973  -5.988
   72   1HB   LEU   9          2HB       LEU   9  -3.693   7.391  -5.147
   73   2HB   LEU   9          1HB       LEU   9  -4.335   7.628  -6.768
   74    HG   LEU   9           HG       LEU   9  -2.617   5.892  -7.538
   75   1HD1  LEU   9          2HD1      LEU   9  -1.225   5.961  -5.489
   76   2HD1  LEU   9          1HD1      LEU   9  -2.583   5.332  -4.555
   77   3HD1  LEU   9          3HD1      LEU   9  -1.831   4.333  -5.797
   78   1HD2  LEU   9          2HD2      LEU   9  -5.147   5.583  -7.061
   79   2HD2  LEU   9          1HD2      LEU   9  -4.146   4.135  -7.167
   80   3HD2  LEU   9          3HD2      LEU   9  -4.622   4.763  -5.589
   81    H    TRP  10           H        TRP  10  -3.254   9.789  -8.361
   82    HA   TRP  10           HA       TRP  10  -2.599   8.170 -10.651
   83   1HB   TRP  10          2HB       TRP  10  -3.671  10.910 -10.172
   84   2HB   TRP  10          1HB       TRP  10  -2.990  10.583 -11.761
   85    HD1  TRP  10           HD1      TRP  10  -5.516  10.868 -12.679
   86    HE1  TRP  10           HE1      TRP  10  -7.432   9.157 -12.862
   87    HE3  TRP  10           HE3      TRP  10  -3.846   7.280  -9.423
   88    HZ2  TRP  10           HZ2      TRP  10  -8.164   6.622 -11.786
   89    HZ3  TRP  10           HZ3      TRP  10  -5.178   5.235  -9.030
   90    HH2  TRP  10           HH2      TRP  10  -7.333   4.901 -10.205
   91    H    SER  11           H        SER  11  -0.643  10.273  -8.754
   92    HA   SER  11           HA       SER  11   1.183  10.866 -11.014
   93   1HB   SER  11          2HB       SER  11   0.478  12.461  -9.019
   94   2HB   SER  11          1HB       SER  11   1.787  11.631  -8.184
   95    HG   SER  11           HG       SER  11   3.209  12.440  -9.581
   96    H    MET  12           H        MET  12   1.454   9.425  -7.742
   97    HA   MET  12           HA       MET  12   4.112   8.438  -8.141
   98   1HB   MET  12          2HB       MET  12   3.687   7.068  -6.132
   99   2HB   MET  12          1HB       MET  12   3.130   8.725  -5.903
  100   1HG   MET  12          2HG       MET  12   0.830   7.850  -6.716
  101   2HG   MET  12          1HG       MET  12   1.486   6.245  -6.403
  102   1HE   MET  12          2HE       MET  12   2.211   5.318  -4.473
  103   2HE   MET  12          1HE       MET  12   3.279   6.491  -3.707
  104   3HE   MET  12          3HE       MET  12   1.908   5.820  -2.813
  105    H    VAL  13           H        VAL  13   0.945   7.006  -8.804
  106    HA   VAL  13           HA       VAL  13   2.150   4.406  -9.489
  107    HB   VAL  13           HB       VAL  13  -0.706   5.239 -10.041
  108   1HG1  VAL  13          3HG1      VAL  13   0.572   2.974 -10.727
  109   2HG1  VAL  13          2HG1      VAL  13   0.120   2.539  -9.080
  110   3HG1  VAL  13          1HG1      VAL  13  -1.125   2.987 -10.248
  111   1HG2  VAL  13          3HG2      VAL  13  -0.093   5.756  -7.658
  112   2HG2  VAL  13          2HG2      VAL  13  -1.300   4.482  -7.805
  113   3HG2  VAL  13          1HG2      VAL  13   0.377   4.071  -7.458
  114    H    ASN  14           H        ASN  14   1.937   7.334 -11.103
  115    HA   ASN  14           HA       ASN  14   1.106   6.505 -13.719
  116   1HB   ASN  14          2HB       ASN  14   1.823   8.902 -12.523
  117   2HB   ASN  14          1HB       ASN  14   3.134   8.629 -13.669
  118   1HD2  ASN  14          2HD2      ASN  14  -0.162  10.151 -15.144
  119   2HD2  ASN  14          1HD2      ASN  14   0.439  10.357 -13.570
  120    H    ASP  15           H        ASP  15   4.048   6.004 -11.945
  121    HA   ASP  15           HA       ASP  15   5.951   4.753 -12.501
  122   1HB   ASP  15          2HB       ASP  15   4.864   4.249 -15.267
  123   2HB   ASP  15          1HB       ASP  15   5.884   3.212 -14.273
  124    H    LYS  16           H        LYS  16   5.791   7.589 -12.952
  125    HA   LYS  16           HA       LYS  16   7.257   8.031 -15.483
  126   1HB   LYS  16          2HB       LYS  16   5.424   9.590 -14.520
  127   2HB   LYS  16          1HB       LYS  16   6.671  10.131 -13.396
  128   1HG   LYS  16          2HG       LYS  16   8.099  10.837 -15.217
  129   2HG   LYS  16          1HG       LYS  16   7.013  10.120 -16.408
  130   1HD   LYS  16          2HD       LYS  16   6.067  12.262 -14.501
  131   2HD   LYS  16          1HD       LYS  16   6.831  12.667 -16.038
  132   1HE   LYS  16          2HE       LYS  16   5.032  10.811 -16.873
  133   2HE   LYS  16          1HE       LYS  16   4.159  11.501 -15.506
  134   1HZ   LYS  16          2HZ       LYS  16   4.882  13.732 -16.550
  135   2HZ   LYS  16          1HZ       LYS  16   5.093  12.817 -17.966
  136   3HZ   LYS  16          3HZ       LYS  16   3.570  12.889 -17.225
  137    H    SER  17           H        SER  17   7.768   8.782 -12.014
  138    HA   SER  17           HA       SER  17  10.689   8.953 -12.518
  139   1HB   SER  17          2HB       SER  17   8.828   9.905 -10.400
  140   2HB   SER  17          1HB       SER  17  10.449   9.460  -9.873
  141    HG   SER  17           HG       SER  17  10.705  11.509 -10.504
  142    H    ASN  18           H        ASN  18   8.382   7.218 -10.432
  143    HA   ASN  18           HA       ASN  18  10.516   5.274  -9.709
  144   1HB   ASN  18          2HB       ASN  18   8.788   4.424  -8.086
  145   2HB   ASN  18          1HB       ASN  18   9.219   6.115  -7.828
  146   1HD2  ASN  18          2HD2      ASN  18   5.892   7.172  -8.230
  147   2HD2  ASN  18          1HD2      ASN  18   7.427   7.448  -7.558
  148    H    GLU  19           H        GLU  19   9.832   5.094 -12.344
  149    HA   GLU  19           HA       GLU  19   7.638   3.335 -12.913
  150   1HB   GLU  19          2HB       GLU  19   8.587   3.170 -15.127
  151   2HB   GLU  19          1HB       GLU  19   8.838   4.817 -14.566
  152   1HG   GLU  19          2HG       GLU  19  11.148   4.155 -13.833
  153   2HG   GLU  19          1HG       GLU  19  10.890   2.591 -14.608
  154    H    LYS  20           H        LYS  20  10.856   2.757 -11.710
  155    HA   LYS  20           HA       LYS  20  10.726  -0.123 -12.364
  156   1HB   LYS  20          2HB       LYS  20  12.811   1.769 -11.924
  157   2HB   LYS  20          1HB       LYS  20  12.954   0.543 -10.667
  158   1HG   LYS  20          2HG       LYS  20  12.413  -0.493 -13.391
  159   2HG   LYS  20          1HG       LYS  20  13.988   0.266 -13.171
  160   1HD   LYS  20          2HD       LYS  20  14.707  -1.332 -11.682
  161   2HD   LYS  20          1HD       LYS  20  13.086  -1.625 -11.051
  162   1HE   LYS  20          2HE       LYS  20  13.822  -2.402 -13.869
  163   2HE   LYS  20          1HE       LYS  20  14.158  -3.476 -12.511
  164   1HZ   LYS  20          3HZ       LYS  20  11.479  -2.303 -12.957
  165   2HZ   LYS  20          2HZ       LYS  20  11.951  -3.762 -13.688
  166   3HZ   LYS  20          1HZ       LYS  20  11.897  -3.635 -11.994
  167    H    PHE  21           H        PHE  21   9.616   1.844  -9.835
  168    HA   PHE  21           HA       PHE  21   9.926  -0.368  -7.855
  169   1HB   PHE  21          2HB       PHE  21   9.378   2.589  -7.522
  170   2HB   PHE  21          1HB       PHE  21   9.215   1.433  -6.198
  171    HD1  PHE  21           HD1      PHE  21  11.240  -0.071  -5.664
  172    HD2  PHE  21           HD2      PHE  21  11.498   3.464  -8.092
  173    HE1  PHE  21           HE1      PHE  21  13.692   0.003  -5.295
  174    HE2  PHE  21           HE2      PHE  21  13.950   3.537  -7.722
  175    HZ   PHE  21           HZ       PHE  21  15.047   1.805  -6.325
  176    H    ILE  22           H        ILE  22   7.611   1.149  -9.897
  177    HA   ILE  22           HA       ILE  22   5.500  -0.601  -8.918
  178    HB   ILE  22           HB       ILE  22   5.353   1.221  -7.252
  179   1HG1  ILE  22          2HG1      ILE  22   3.073   1.524  -9.220
  180   2HG1  ILE  22          1HG1      ILE  22   3.287   0.071  -8.246
  181   1HG2  ILE  22          2HG2      ILE  22   6.336   2.962  -8.814
  182   2HG2  ILE  22          1HG2      ILE  22   4.753   3.054  -9.586
  183   3HG2  ILE  22          3HG2      ILE  22   4.933   3.500  -7.889
  184   1HD1  ILE  22          3HD1      ILE  22   3.472   2.570  -6.700
  185   2HD1  ILE  22          2HD1      ILE  22   1.894   2.305  -7.443
  186   3HD1  ILE  22          1HD1      ILE  22   2.569   1.094  -6.353
  187    H    HIS  23           H        HIS  23   4.069  -0.996 -10.590
  188    HA   HIS  23           HA       HIS  23   3.652   0.968 -12.701
  189   1HB   HIS  23          2HB       HIS  23   4.359  -0.854 -14.470
  190   2HB   HIS  23          1HB       HIS  23   5.562   0.235 -13.791
  191    HD1  HIS  23           HD1      HIS  23   7.185  -0.755 -11.978
  192    HD2  HIS  23           HD2      HIS  23   4.667  -3.568 -13.745
  193    HE1  HIS  23           HE1      HIS  23   8.120  -3.031 -11.377
  194    H    TRP  24           H        TRP  24   1.914   0.446 -14.074
  195    HA   TRP  24           HA       TRP  24  -0.176  -1.099 -12.891
  196   1HB   TRP  24          2HB       TRP  24   0.228   0.049 -15.661
  197   2HB   TRP  24          1HB       TRP  24  -1.231  -0.835 -15.221
  198    HD1  TRP  24           HD1      TRP  24   0.766   1.781 -13.176
  199    HE1  TRP  24           HE1      TRP  24  -0.867   3.644 -12.461
  200    HE3  TRP  24           HE3      TRP  24  -3.480   0.178 -15.514
  201    HZ2  TRP  24           HZ2      TRP  24  -3.612   4.358 -12.830
  202    HZ3  TRP  24           HZ3      TRP  24  -5.587   1.466 -15.317
  203    HH2  TRP  24           HH2      TRP  24  -5.660   3.552 -13.980
  204    H    SER  25           H        SER  25  -1.084  -3.128 -13.608
  205    HA   SER  25           HA       SER  25   0.865  -5.121 -14.357
  206   1HB   SER  25          2HB       SER  25  -2.135  -5.438 -14.569
  207   2HB   SER  25          1HB       SER  25  -0.932  -6.684 -14.246
  208    HG   SER  25           HG       SER  25  -1.917  -6.074 -12.321
  209    H    THR  26           H        THR  26   0.470  -6.577 -16.349
  210    HA   THR  26           HA       THR  26   0.657  -5.023 -18.741
  211    HB   THR  26           HB       THR  26  -0.160  -7.937 -18.611
  212    HG1  THR  26           HG1      THR  26   1.847  -8.423 -18.119
  213   1HG2  THR  26          3HG2      THR  26   1.348  -6.248 -20.624
  214   2HG2  THR  26          2HG2      THR  26   1.200  -8.003 -20.723
  215   3HG2  THR  26          1HG2      THR  26  -0.238  -6.987 -20.839
  216    H    SER  27           H        SER  27  -0.893  -4.519 -20.316
  217    HA   SER  27           HA       SER  27  -3.037  -4.073 -21.172
  218   1HB   SER  27          2HB       SER  27  -3.044  -6.734 -20.770
  219   2HB   SER  27          1HB       SER  27  -4.275  -6.282 -19.595
  220    HG   SER  27           HG       SER  27  -5.306  -6.569 -21.530
  221    H    GLY  28           H        GLY  28  -2.091  -3.077 -18.479
  222   1HA   GLY  28          2HA       GLY  28  -2.959  -1.744 -16.762
  223   2HA   GLY  28          1HA       GLY  28  -4.443  -1.655 -17.710
  224    H    GLU  29           H        GLU  29  -5.705  -1.859 -15.777
  225    HA   GLU  29           HA       GLU  29  -7.044  -3.084 -14.313
  226   1HB   GLU  29          2HB       GLU  29  -5.766  -5.578 -15.470
  227   2HB   GLU  29          1HB       GLU  29  -7.305  -5.458 -14.623
  228   1HG   GLU  29          2HG       GLU  29  -7.017  -3.722 -17.015
  229   2HG   GLU  29          1HG       GLU  29  -7.099  -5.455 -17.324
  230    H    SER  30           H        SER  30  -6.469  -2.867 -12.249
  231    HA   SER  30           HA       SER  30  -5.371  -3.182 -10.207
  232   1HB   SER  30          2HB       SER  30  -4.254  -5.682 -11.495
  233   2HB   SER  30          1HB       SER  30  -4.442  -5.364  -9.772
  234    HG   SER  30           HG       SER  30  -6.494  -5.617 -11.724
  235    H    ILE  31           H        ILE  31  -3.222  -3.216  -9.185
  236    HA   ILE  31           HA       ILE  31  -1.083  -2.272 -11.057
  237    HB   ILE  31           HB       ILE  31  -1.488  -1.538  -8.139
  238   1HG1  ILE  31          2HG1      ILE  31  -1.958   0.196 -10.577
  239   2HG1  ILE  31          1HG1      ILE  31  -3.252  -0.701  -9.779
  240   1HG2  ILE  31          1HG2      ILE  31   0.420  -0.584 -10.290
  241   2HG2  ILE  31          3HG2      ILE  31   0.161   0.279  -8.775
  242   3HG2  ILE  31          2HG2      ILE  31   0.833  -1.351  -8.757
  243   1HD1  ILE  31          3HD1      ILE  31  -2.479   0.443  -7.608
  244   2HD1  ILE  31          2HD1      ILE  31  -1.557   1.530  -8.648
  245   3HD1  ILE  31          1HD1      ILE  31  -3.313   1.456  -8.787
  246    H    VAL  32           H        VAL  32   1.171  -2.736 -10.220
  247    HA   VAL  32           HA       VAL  32   1.217  -5.281  -8.640
  248    HB   VAL  32           HB       VAL  32   3.070  -4.501 -10.910
  249   1HG1  VAL  32          3HG1      VAL  32   3.951  -6.029  -9.077
  250   2HG1  VAL  32          2HG1      VAL  32   2.706  -7.185  -9.553
  251   3HG1  VAL  32          1HG1      VAL  32   3.963  -6.720 -10.700
  252   1HG2  VAL  32          2HG2      VAL  32   0.638  -5.019 -11.512
  253   2HG2  VAL  32          1HG2      VAL  32   1.857  -6.029 -12.287
  254   3HG2  VAL  32          3HG2      VAL  32   0.941  -6.650 -10.914
  255    H    VAL  33           H        VAL  33   2.745  -5.415  -7.024
  256    HA   VAL  33           HA       VAL  33   4.571  -3.062  -6.701
  257    HB   VAL  33           HB       VAL  33   3.300  -4.720  -4.499
  258   1HG1  VAL  33          2HG1      VAL  33   5.525  -3.734  -3.967
  259   2HG1  VAL  33          1HG1      VAL  33   4.898  -2.142  -4.393
  260   3HG1  VAL  33          3HG1      VAL  33   4.231  -3.011  -3.011
  261   1HG2  VAL  33          1HG2      VAL  33   2.526  -2.161  -5.852
  262   2HG2  VAL  33          3HG2      VAL  33   1.496  -3.450  -5.227
  263   3HG2  VAL  33          2HG2      VAL  33   2.249  -2.304  -4.116
  264    HA   PRO  34           HA       PRO  34   7.034  -6.924  -6.988
  265   1HB   PRO  34          2HB       PRO  34   9.116  -5.861  -8.424
  266   2HB   PRO  34          1HB       PRO  34   7.678  -6.577  -9.175
  267   1HG   PRO  34          2HG       PRO  34   8.432  -3.711  -8.920
  268   2HG   PRO  34          1HG       PRO  34   7.406  -4.501 -10.129
  269   1HD   PRO  34          2HD       PRO  34   6.503  -2.992  -7.913
  270   2HD   PRO  34          1HD       PRO  34   5.507  -4.038  -8.945
  271    H    ASN  35           H        ASN  35   7.873  -3.585  -6.238
  272    HA   ASN  35           HA       ASN  35   9.842  -4.594  -4.223
  273   1HB   ASN  35          2HB       ASN  35   9.986  -2.337  -6.164
  274   2HB   ASN  35          1HB       ASN  35  10.645  -2.042  -4.556
  275   1HD2  ASN  35          2HD2      ASN  35  13.333  -3.536  -6.708
  276   2HD2  ASN  35          1HD2      ASN  35  12.358  -2.151  -6.823
  277    H    ARG  36           H        ARG  36   7.773  -4.697  -2.910
  278    HA   ARG  36           HA       ARG  36   6.421  -2.239  -2.177
  279   1HB   ARG  36          2HB       ARG  36   5.466  -3.643  -0.333
  280   2HB   ARG  36          1HB       ARG  36   5.263  -4.359  -1.930
  281   1HG   ARG  36          2HG       ARG  36   6.525  -6.154  -1.391
  282   2HG   ARG  36          1HG       ARG  36   7.798  -5.145  -0.704
  283   1HD   ARG  36          2HD       ARG  36   5.278  -5.369   0.865
  284   2HD   ARG  36          1HD       ARG  36   6.305  -6.802   0.804
  285    HE   ARG  36           HE       ARG  36   8.089  -4.805   1.426
  286   1HH1  ARG  36          2HH1      ARG  36   5.351  -3.691   2.530
  287   2HH1  ARG  36          1HH1      ARG  36   5.538  -4.101   4.202
  288   1HH2  ARG  36          1HH2      ARG  36   8.210  -6.241   3.653
  289   2HH2  ARG  36          2HH2      ARG  36   7.156  -5.544   4.837
  290    H    GLU  37           H        GLU  37   9.301  -3.852  -1.078
  291    HA   GLU  37           HA       GLU  37   9.384  -2.425   1.484
  292   1HB   GLU  37          2HB       GLU  37  10.329  -4.781   0.966
  293   2HB   GLU  37          1HB       GLU  37  11.685  -3.918   0.243
  294   1HG   GLU  37          2HG       GLU  37  12.579  -3.657   2.292
  295   2HG   GLU  37          1HG       GLU  37  11.193  -2.667   2.746
  296    H    ARG  38           H        ARG  38  11.476  -2.436  -1.440
  297    HA   ARG  38           HA       ARG  38  12.966  -0.121  -0.563
  298   1HB   ARG  38          2HB       ARG  38  13.373  -2.041  -2.455
  299   2HB   ARG  38          1HB       ARG  38  12.888  -0.682  -3.466
  300   1HG   ARG  38          2HG       ARG  38  14.877   0.338  -3.168
  301   2HG   ARG  38          1HG       ARG  38  14.735   0.215  -1.416
  302   1HD   ARG  38          2HD       ARG  38  16.279  -1.417  -1.380
  303   2HD   ARG  38          1HD       ARG  38  15.314  -2.395  -2.482
  304    HE   ARG  38           HE       ARG  38  17.651  -0.857  -3.208
  305   1HH1  ARG  38          2HH1      ARG  38  16.264   0.598  -5.087
  306   2HH1  ARG  38          1HH1      ARG  38  15.908  -0.477  -6.397
  307   1HH2  ARG  38          1HH2      ARG  38  16.453  -3.351  -4.535
  308   2HH2  ARG  38          2HH2      ARG  38  16.014  -2.713  -6.084
  309    H    PHE  39           H        PHE  39   9.976  -0.521  -2.310
  310    HA   PHE  39           HA       PHE  39   9.864   1.935  -3.726
  311   1HB   PHE  39          2HB       PHE  39   8.168   0.345  -4.202
  312   2HB   PHE  39          1HB       PHE  39   7.752   0.148  -2.503
  313    HD1  PHE  39           HD2      PHE  39   6.472   1.889  -1.312
  314    HD2  PHE  39           HD1      PHE  39   7.259   2.170  -5.523
  315    HE1  PHE  39           HE2      PHE  39   4.710   3.621  -1.526
  316    HE2  PHE  39           HE1      PHE  39   5.498   3.903  -5.740
  317    HZ   PHE  39           HZ       PHE  39   4.225   4.628  -3.739
  318    H    VAL  40           H        VAL  40   8.787   1.199  -0.395
  319    HA   VAL  40           HA       VAL  40   7.861   3.804   0.256
  320    HB   VAL  40           HB       VAL  40   9.137   1.753   2.096
  321   1HG1  VAL  40          3HG1      VAL  40   8.353   4.383   2.645
  322   2HG1  VAL  40          2HG1      VAL  40   6.986   3.407   3.183
  323   3HG1  VAL  40          1HG1      VAL  40   8.597   3.101   3.828
  324   1HG2  VAL  40          2HG2      VAL  40   6.253   2.174   1.249
  325   2HG2  VAL  40          1HG2      VAL  40   7.271   0.797   0.829
  326   3HG2  VAL  40          3HG2      VAL  40   6.783   1.053   2.503
  327    H    GLN  41           H        GLN  41  11.091   2.349   0.660
  328    HA   GLN  41           HA       GLN  41  12.247   4.693   1.885
  329   1HB   GLN  41          2HB       GLN  41  13.644   2.428   0.441
  330   2HB   GLN  41          1HB       GLN  41  14.384   3.561   1.570
  331   1HG   GLN  41          2HG       GLN  41  12.632   2.758   3.272
  332   2HG   GLN  41          1HG       GLN  41  12.326   1.427   2.154
  333   1HE2  GLN  41          2HE2      GLN  41  15.165  -0.365   3.188
  334   2HE2  GLN  41          1HE2      GLN  41  13.678  -0.366   2.370
  335    H    GLU  42           H        GLU  42  11.472   4.031  -1.413
  336    HA   GLU  42           HA       GLU  42  13.215   6.333  -2.203
  337   1HB   GLU  42          2HB       GLU  42  12.753   3.758  -3.725
  338   2HB   GLU  42          1HB       GLU  42  13.514   5.188  -4.421
  339   1HG   GLU  42          2HG       GLU  42  14.523   3.912  -1.874
  340   2HG   GLU  42          1HG       GLU  42  15.098   3.414  -3.464
  341    H    VAL  43           H        VAL  43  10.176   5.867  -1.641
  342    HA   VAL  43           HA       VAL  43   9.304   7.520  -3.924
  343    HB   VAL  43           HB       VAL  43   7.897   4.895  -3.319
  344   1HG1  VAL  43          3HG1      VAL  43   7.295   7.284  -4.997
  345   2HG1  VAL  43          2HG1      VAL  43   6.949   5.706  -5.707
  346   3HG1  VAL  43          1HG1      VAL  43   6.192   6.174  -4.185
  347   1HG2  VAL  43          2HG2      VAL  43   9.711   5.747  -5.596
  348   2HG2  VAL  43          1HG2      VAL  43   9.977   4.423  -4.462
  349   3HG2  VAL  43          3HG2      VAL  43   8.679   4.318  -5.651
  350    H    LEU  44           H        LEU  44   8.490   6.022  -0.792
  351    HA   LEU  44           HA       LEU  44   6.016   7.373  -0.410
  352   1HB   LEU  44          2HB       LEU  44   6.876   5.449   0.965
  353   2HB   LEU  44          1HB       LEU  44   7.963   6.577   1.768
  354    HG   LEU  44           HG       LEU  44   6.061   7.900   2.563
  355   1HD1  LEU  44          2HD1      LEU  44   4.487   5.936   0.892
  356   2HD1  LEU  44          1HD1      LEU  44   3.738   6.798   2.238
  357   3HD1  LEU  44          3HD1      LEU  44   4.410   7.698   0.878
  358   1HD2  LEU  44          2HD2      LEU  44   6.821   5.978   3.918
  359   2HD2  LEU  44          1HD2      LEU  44   5.085   6.230   4.093
  360   3HD2  LEU  44          3HD2      LEU  44   5.688   4.931   3.064
  361    HA   PRO  45           HA       PRO  45   8.364  10.790   1.909
  362   1HB   PRO  45          2HB       PRO  45  11.034  11.151   1.396
  363   2HB   PRO  45          1HB       PRO  45  10.421  10.208   2.766
  364   1HG   PRO  45          2HG       PRO  45  11.637   9.252   0.222
  365   2HG   PRO  45          1HG       PRO  45  11.614   8.480   1.818
  366   1HD   PRO  45          2HD       PRO  45   9.962   7.798  -0.359
  367   2HD   PRO  45          1HD       PRO  45   9.721   7.312   1.328
  368    H    LYS  46           H        LYS  46   9.387   9.842  -1.313
  369    HA   LYS  46           HA       LYS  46   9.963  12.427  -2.371
  370   1HB   LYS  46          2HB       LYS  46   9.483   9.719  -3.409
  371   2HB   LYS  46          1HB       LYS  46   8.987  10.992  -4.521
  372   1HG   LYS  46          2HG       LYS  46  11.690  10.945  -3.158
  373   2HG   LYS  46          1HG       LYS  46  11.399  10.259  -4.757
  374   1HD   LYS  46          2HD       LYS  46  10.554  12.470  -5.522
  375   2HD   LYS  46          1HD       LYS  46  10.952  13.142  -3.941
  376   1HE   LYS  46          2HE       LYS  46  13.072  11.674  -5.474
  377   2HE   LYS  46          1HE       LYS  46  12.681  13.334  -5.926
  378   1HZ   LYS  46          3HZ       LYS  46  13.155  12.651  -3.103
  379   2HZ   LYS  46          2HZ       LYS  46  14.473  12.898  -4.145
  380   3HZ   LYS  46          1HZ       LYS  46  13.344  14.141  -3.890
  381    H    TYR  47           H        TYR  47   6.930  11.022  -1.476
  382    HA   TYR  47           HA       TYR  47   5.533  13.189  -2.999
  383   1HB   TYR  47          2HB       TYR  47   4.689  10.348  -2.434
  384   2HB   TYR  47          1HB       TYR  47   3.526  11.594  -2.888
  385    HD1  TYR  47           HD2      TYR  47   6.849  10.228  -3.971
  386    HD2  TYR  47           HD1      TYR  47   3.098  11.950  -5.152
  387    HE1  TYR  47           HE2      TYR  47   7.470   9.944  -6.355
  388    HE2  TYR  47           HE1      TYR  47   3.718  11.667  -7.536
  389    HH   TYR  47           HH       TYR  47   5.696   9.760  -8.710
  390    H    PHE  48           H        PHE  48   6.155  11.878   0.130
  391    HA   PHE  48           HA       PHE  48   4.072  13.701   1.237
  392   1HB   PHE  48          2HB       PHE  48   4.675  10.937   2.326
  393   2HB   PHE  48          1HB       PHE  48   3.452  12.059   2.922
  394    HD1  PHE  48           HD1      PHE  48   1.453  12.601   1.537
  395    HD2  PHE  48           HD2      PHE  48   4.319   9.637   0.327
  396    HE1  PHE  48           HE1      PHE  48  -0.161  11.721  -0.135
  397    HE2  PHE  48           HE2      PHE  48   2.711   8.759  -1.339
  398    HZ   PHE  48           HZ       PHE  48   0.476   9.802  -1.570
  399    H    LYS  49           H        LYS  49   4.526  13.629   3.845
  400    HA   LYS  49           HA       LYS  49   7.469  13.910   4.249
  401   1HB   LYS  49          2HB       LYS  49   5.350  15.978   4.498
  402   2HB   LYS  49          1HB       LYS  49   6.539  15.927   5.801
  403   1HG   LYS  49          2HG       LYS  49   8.258  15.772   3.794
  404   2HG   LYS  49          1HG       LYS  49   6.941  16.523   2.893
  405   1HD   LYS  49          2HD       LYS  49   7.919  18.442   3.687
  406   2HD   LYS  49          1HD       LYS  49   6.900  18.089   5.082
  407   1HE   LYS  49          2HE       LYS  49   9.052  16.574   5.704
  408   2HE   LYS  49          1HE       LYS  49   9.848  17.848   4.781
  409   1HZ   LYS  49          1HZ       LYS  49   8.341  19.364   6.259
  410   2HZ   LYS  49          3HZ       LYS  49   8.364  18.027   7.303
  411   3HZ   LYS  49          2HZ       LYS  49   9.820  18.773   6.848
  412    H    HIS  50           H        HIS  50   4.414  14.276   6.089
  413    HA   HIS  50           HA       HIS  50   5.653  12.685   8.283
  414   1HB   HIS  50          2HB       HIS  50   3.282  14.570   8.217
  415   2HB   HIS  50          1HB       HIS  50   3.688  13.579   9.617
  416    HD1  HIS  50           HD1      HIS  50   3.887  16.351  10.383
  417    HD2  HIS  50           HD2      HIS  50   7.023  14.581   8.283
  418    HE1  HIS  50           HE1      HIS  50   5.937  17.768  10.828
  419    H    SER  51           H        SER  51   4.514  11.521   5.789
  420    HA   SER  51           HA       SER  51   2.187  10.038   6.939
  421   1HB   SER  51          2HB       SER  51   3.077  10.317   4.055
  422   2HB   SER  51          1HB       SER  51   1.660   9.427   4.606
  423    HG   SER  51           HG       SER  51   0.801  11.350   4.238
  424    H    ASN  52           H        ASN  52   2.134   7.674   6.402
  425    HA   ASN  52           HA       ASN  52   4.865   6.521   6.040
  426   1HB   ASN  52          2HB       ASN  52   3.078   6.326   8.370
  427   2HB   ASN  52          1HB       ASN  52   3.649   4.763   7.790
  428   1HD2  ASN  52          2HD2      ASN  52   7.036   5.348   8.719
  429   2HD2  ASN  52          1HD2      ASN  52   5.993   4.376   7.798
  430    H    PHE  53           H        PHE  53   4.773   4.172   5.460
  431    HA   PHE  53           HA       PHE  53   3.076   3.654   3.246
  432   1HB   PHE  53          2HB       PHE  53   5.276   2.504   3.915
  433   2HB   PHE  53          1HB       PHE  53   4.299   1.509   4.989
  434    HD1  PHE  53           HD2      PHE  53   3.810   2.821   1.498
  435    HD2  PHE  53           HD1      PHE  53   3.942  -0.601   4.093
  436    HE1  PHE  53           HE2      PHE  53   3.196   1.354  -0.404
  437    HE2  PHE  53           HE1      PHE  53   3.329  -2.068   2.190
  438    HZ   PHE  53           HZ       PHE  53   2.957  -1.089  -0.059
  439    H    ALA  54           H        ALA  54   2.742   2.854   6.667
  440    HA   ALA  54           HA       ALA  54   0.549   1.056   6.511
  441   1HB   ALA  54          3HB       ALA  54   1.731   2.815   8.583
  442   2HB   ALA  54          2HB       ALA  54   0.044   2.371   8.842
  443   3HB   ALA  54          1HB       ALA  54   1.272   1.115   8.677
  444    H    SER  55           H        SER  55   0.632   4.603   6.509
  445    HA   SER  55           HA       SER  55  -2.239   4.937   6.657
  446   1HB   SER  55          2HB       SER  55  -0.420   6.947   5.356
  447   2HB   SER  55          1HB       SER  55  -1.829   7.225   6.375
  448    HG   SER  55           HG       SER  55  -0.336   7.473   7.853
  449    H    PHE  56           H        PHE  56   0.099   4.578   4.044
  450    HA   PHE  56           HA       PHE  56  -1.659   5.282   1.883
  451   1HB   PHE  56          2HB       PHE  56   0.791   5.149   1.628
  452   2HB   PHE  56          1HB       PHE  56   0.739   3.417   1.932
  453    HD1  PHE  56           HD2      PHE  56  -1.739   5.324  -0.117
  454    HD2  PHE  56           HD1      PHE  56   1.607   2.626  -0.140
  455    HE1  PHE  56           HE2      PHE  56  -2.096   4.898  -2.534
  456    HE2  PHE  56           HE1      PHE  56   1.250   2.206  -2.557
  457    HZ   PHE  56           HZ       PHE  56  -0.602   3.340  -3.753
  458    H    VAL  57           H        VAL  57  -1.142   2.297   3.686
  459    HA   VAL  57           HA       VAL  57  -2.652   0.627   1.846
  460    HB   VAL  57           HB       VAL  57  -1.980   0.108   4.756
  461   1HG1  VAL  57          2HG1      VAL  57  -3.660  -1.301   3.140
  462   2HG1  VAL  57          1HG1      VAL  57  -2.122  -2.071   2.750
  463   3HG1  VAL  57          3HG1      VAL  57  -2.693  -2.036   4.419
  464   1HG2  VAL  57          3HG2      VAL  57  -0.366   0.003   2.246
  465   2HG2  VAL  57          2HG2      VAL  57   0.149   0.340   3.899
  466   3HG2  VAL  57          1HG2      VAL  57  -0.156  -1.321   3.393
  467    H    ARG  58           H        ARG  58  -3.395   1.881   5.142
  468    HA   ARG  58           HA       ARG  58  -6.059   0.936   5.244
  469   1HB   ARG  58          2HB       ARG  58  -6.443   2.601   6.991
  470   2HB   ARG  58          1HB       ARG  58  -4.851   1.880   7.198
  471   1HG   ARG  58          2HG       ARG  58  -3.989   3.964   7.196
  472   2HG   ARG  58          1HG       ARG  58  -4.430   4.073   5.494
  473   1HD   ARG  58          2HD       ARG  58  -5.656   5.862   6.225
  474   2HD   ARG  58          1HD       ARG  58  -6.832   4.609   6.614
  475    HE   ARG  58           HE       ARG  58  -5.722   4.634   8.947
  476   1HH1  ARG  58          1HH2      ARG  58  -3.689   6.692   8.507
  477   2HH1  ARG  58          2HH2      ARG  58  -4.482   8.152   8.995
  478   1HH2  ARG  58          2HH1      ARG  58  -7.666   6.784   8.843
  479   2HH2  ARG  58          1HH1      ARG  58  -6.735   8.204   9.185
  480    H    GLN  59           H        GLN  59  -4.724   3.688   3.536
  481    HA   GLN  59           HA       GLN  59  -7.278   4.999   3.065
  482   1HB   GLN  59          2HB       GLN  59  -4.560   5.225   1.755
  483   2HB   GLN  59          1HB       GLN  59  -5.955   6.150   1.202
  484   1HG   GLN  59          2HG       GLN  59  -5.012   6.172   4.075
  485   2HG   GLN  59          1HG       GLN  59  -4.464   7.345   2.877
  486   1HE2  GLN  59          2HE2      GLN  59  -7.616   8.514   4.707
  487   2HE2  GLN  59          1HE2      GLN  59  -6.181   7.828   5.301
  488    H    LEU  60           H        LEU  60  -5.171   2.875   1.106
  489    HA   LEU  60           HA       LEU  60  -6.766   2.768  -1.232
  490   1HB   LEU  60          2HB       LEU  60  -4.946   0.717   0.040
  491   2HB   LEU  60          1HB       LEU  60  -5.687   0.479  -1.535
  492    HG   LEU  60           HG       LEU  60  -4.076   2.950  -0.889
  493   1HD1  LEU  60          2HD1      LEU  60  -3.187   0.193  -1.570
  494   2HD1  LEU  60          1HD1      LEU  60  -2.404   1.509  -2.444
  495   3HD1  LEU  60          3HD1      LEU  60  -2.340   1.459  -0.682
  496   1HD2  LEU  60          2HD2      LEU  60  -5.751   2.483  -2.946
  497   2HD2  LEU  60          1HD2      LEU  60  -4.275   3.428  -3.134
  498   3HD2  LEU  60          3HD2      LEU  60  -4.297   1.726  -3.599
  499    H    ASN  61           H        ASN  61  -7.127   1.073   1.834
  500    HA   ASN  61           HA       ASN  61  -9.135  -0.789   0.833
  501   1HB   ASN  61          2HB       ASN  61  -7.701  -0.308   3.321
  502   2HB   ASN  61          1HB       ASN  61  -9.413  -0.595   3.629
  503   1HD2  ASN  61          2HD2      ASN  61  -7.045  -3.662   2.420
  504   2HD2  ASN  61          1HD2      ASN  61  -6.421  -2.096   2.625
  505    H    MET  62           H        MET  62  -9.220   2.224   2.742
  506    HA   MET  62           HA       MET  62 -12.050   2.248   3.151
  507   1HB   MET  62          2HB       MET  62 -10.034   3.753   4.103
  508   2HB   MET  62          1HB       MET  62 -10.638   4.849   2.860
  509   1HG   MET  62          2HG       MET  62 -12.991   4.129   3.930
  510   2HG   MET  62          1HG       MET  62 -11.972   3.887   5.349
  511   1HE   MET  62          2HE       MET  62 -14.378   5.663   4.765
  512   2HE   MET  62          1HE       MET  62 -14.102   7.398   4.901
  513   3HE   MET  62          3HE       MET  62 -13.967   6.598   3.328
  514    H    TYR  63           H        TYR  63 -10.179   2.932   0.308
  515    HA   TYR  63           HA       TYR  63 -12.356   4.538  -0.887
  516   1HB   TYR  63          2HB       TYR  63  -9.558   3.820  -1.727
  517   2HB   TYR  63          1HB       TYR  63 -10.709   4.455  -2.905
  518    HD1  TYR  63           HD2      TYR  63 -12.183   6.510  -1.847
  519    HD2  TYR  63           HD1      TYR  63  -8.184   5.417  -0.731
  520    HE1  TYR  63           HE2      TYR  63 -11.793   8.806  -0.995
  521    HE2  TYR  63           HE1      TYR  63  -7.795   7.709   0.127
  522    HH   TYR  63           HH       TYR  63  -9.728   9.678   1.043
  523    H    GLY  64           H        GLY  64 -10.720   1.408  -1.459
  524   1HA   GLY  64          2HA       GLY  64 -12.854  -0.170  -2.089
  525   2HA   GLY  64          1HA       GLY  64 -12.629   0.730  -3.588
  526    H    TRP  65           H        TRP  65  -9.629   0.816  -3.005
  527    HA   TRP  65           HA       TRP  65  -8.831  -1.371  -4.613
  528   1HB   TRP  65          2HB       TRP  65  -7.284   0.292  -2.613
  529   2HB   TRP  65          1HB       TRP  65  -6.523  -0.893  -3.675
  530    HD1  TRP  65           HD1      TRP  65  -7.996   2.568  -3.627
  531    HE1  TRP  65           HE1      TRP  65  -7.738   3.651  -5.951
  532    HE3  TRP  65           HE3      TRP  65  -6.454  -1.486  -6.327
  533    HZ2  TRP  65           HZ2      TRP  65  -6.981   2.901  -8.601
  534    HZ3  TRP  65           HZ3      TRP  65  -5.972  -1.271  -8.748
  535    HH2  TRP  65           HH2      TRP  65  -6.232   0.916  -9.887
  536    H    HIS  66           H        HIS  66  -9.367  -3.431  -4.012
  537    HA   HIS  66           HA       HIS  66  -8.897  -4.281  -1.200
  538   1HB   HIS  66          2HB       HIS  66 -10.346  -5.623  -3.501
  539   2HB   HIS  66          1HB       HIS  66 -10.169  -6.323  -1.892
  540    HD1  HIS  66           HD1      HIS  66 -10.748  -4.001  -0.067
  541    HD2  HIS  66           HD2      HIS  66 -12.941  -4.678  -3.547
  542    HE1  HIS  66           HE1      HIS  66 -12.966  -2.816   0.240
  543    H    LYS  67           H        LYS  67  -7.245  -5.666  -0.693
  544    HA   LYS  67           HA       LYS  67  -5.283  -6.328  -2.758
  545   1HB   LYS  67          2HB       LYS  67  -5.416  -7.021   0.195
  546   2HB   LYS  67          1HB       LYS  67  -4.048  -7.385  -0.856
  547   1HG   LYS  67          2HG       LYS  67  -3.276  -5.347  -0.208
  548   2HG   LYS  67          1HG       LYS  67  -4.434  -4.718  -1.380
  549   1HD   LYS  67          2HD       LYS  67  -6.044  -4.251   0.283
  550   2HD   LYS  67          1HD       LYS  67  -5.257  -5.300   1.464
  551   1HE   LYS  67          2HE       LYS  67  -4.514  -3.237   2.213
  552   2HE   LYS  67          1HE       LYS  67  -3.223  -3.630   1.078
  553   1HZ   LYS  67          2HZ       LYS  67  -4.809  -2.472  -0.608
  554   2HZ   LYS  67          1HZ       LYS  67  -5.444  -1.732   0.784
  555   3HZ   LYS  67          3HZ       LYS  67  -3.804  -1.539   0.397
  556    H    VAL  68           H        VAL  68  -4.451  -8.644  -2.888
  557    HA   VAL  68           HA       VAL  68  -6.678 -10.615  -2.578
  558    HB   VAL  68           HB       VAL  68  -5.974 -11.629  -4.746
  559   1HG1  VAL  68          2HG1      VAL  68  -6.759  -8.700  -4.819
  560   2HG1  VAL  68          1HG1      VAL  68  -6.889  -9.803  -6.189
  561   3HG1  VAL  68          3HG1      VAL  68  -7.854 -10.080  -4.739
  562   1HG2  VAL  68          1HG2      VAL  68  -4.122  -9.235  -4.744
  563   2HG2  VAL  68          3HG2      VAL  68  -3.704 -10.933  -4.970
  564   3HG2  VAL  68          2HG2      VAL  68  -4.577 -10.063  -6.231
  565    H    GLN  69           H        GLN  69  -6.041 -12.411  -1.493
  566    HA   GLN  69           HA       GLN  69  -3.147 -12.760  -0.956
  567   1HB   GLN  69          2HB       GLN  69  -3.836 -14.258   0.845
  568   2HB   GLN  69          1HB       GLN  69  -4.726 -12.744   0.963
  569   1HG   GLN  69          2HG       GLN  69  -6.512 -14.028  -0.504
  570   2HG   GLN  69          1HG       GLN  69  -5.708 -15.458   0.143
  571   1HE2  GLN  69          2HE2      GLN  69  -8.047 -13.181   2.577
  572   2HE2  GLN  69          1HE2      GLN  69  -7.741 -12.706   0.977
  573    H    ASP  70           H        ASP  70  -3.774 -13.399  -3.558
  574    HA   ASP  70           HA       ASP  70  -3.527 -15.115  -5.134
  575   1HB   ASP  70          2HB       ASP  70  -1.679 -15.622  -3.262
  576   2HB   ASP  70          1HB       ASP  70  -2.676 -17.058  -3.033
  577    H    VAL  71           H        VAL  71  -6.020 -15.008  -4.943
  578    HA   VAL  71           HA       VAL  71  -7.016 -17.689  -4.066
  579    HB   VAL  71           HB       VAL  71  -9.250 -16.558  -3.764
  580   1HG1  VAL  71          3HG1      VAL  71  -6.805 -15.973  -2.144
  581   2HG1  VAL  71          2HG1      VAL  71  -8.302 -15.149  -1.710
  582   3HG1  VAL  71          1HG1      VAL  71  -8.235 -16.911  -1.716
  583   1HG2  VAL  71          2HG2      VAL  71  -8.195 -14.517  -5.197
  584   2HG2  VAL  71          1HG2      VAL  71  -9.529 -14.297  -4.064
  585   3HG2  VAL  71          3HG2      VAL  71  -7.878 -13.924  -3.567
  586    H    LYS  72           H        LYS  72  -6.194 -18.097  -6.382
  587    HA   LYS  72           HA       LYS  72  -8.314 -17.361  -8.360
  588   1HB   LYS  72          2HB       LYS  72  -5.453 -18.225  -8.878
  589   2HB   LYS  72          1HB       LYS  72  -6.629 -17.745 -10.102
  590   1HG   LYS  72          2HG       LYS  72  -6.491 -15.509  -9.563
  591   2HG   LYS  72          1HG       LYS  72  -6.124 -15.831  -7.869
  592   1HD   LYS  72          2HD       LYS  72  -3.898 -15.748  -8.241
  593   2HD   LYS  72          1HD       LYS  72  -4.018 -16.846  -9.616
  594   1HE   LYS  72          2HE       LYS  72  -3.215 -14.832 -10.556
  595   2HE   LYS  72          1HE       LYS  72  -4.942 -14.813 -10.915
  596   1HZ   LYS  72          1HZ       LYS  72  -3.957 -13.599  -8.424
  597   2HZ   LYS  72          3HZ       LYS  72  -3.826 -12.739  -9.880
  598   3HZ   LYS  72          2HZ       LYS  72  -5.352 -13.234  -9.320
  599    H    SER  73           H        SER  73  -5.895 -19.987  -8.006
  600    HA   SER  73           HA       SER  73  -7.603 -21.948  -9.245
  601   1HB   SER  73          2HB       SER  73  -5.124 -22.154  -9.151
  602   2HB   SER  73          1HB       SER  73  -5.225 -22.385  -7.407
  603    HG   SER  73           HG       SER  73  -5.593 -24.399  -7.837
  604    H    GLY  74           H        GLY  74  -6.799 -21.234  -5.843
  605   1HA   GLY  74          2HA       GLY  74  -8.691 -21.381  -4.217
  606   2HA   GLY  74          1HA       GLY  74  -9.201 -22.841  -5.064
  607    H    SER  75           H        SER  75  -5.841 -22.064  -4.292
  608    HA   SER  75           HA       SER  75  -5.887 -24.117  -2.143
  609   1HB   SER  75          2HB       SER  75  -3.999 -24.108  -4.514
  610   2HB   SER  75          1HB       SER  75  -3.798 -25.125  -3.091
  611    HG   SER  75           HG       SER  75  -4.964 -26.058  -4.943
  612    H    MET  76           H        MET  76  -2.734 -23.104  -3.241
  613    HA   MET  76           HA       MET  76  -2.419 -20.606  -1.981
  614   1HB   MET  76          2HB       MET  76  -2.966 -22.542  -0.044
  615   2HB   MET  76          1HB       MET  76  -1.210 -22.418  -0.010
  616   1HG   MET  76          2HG       MET  76  -3.045 -20.012   0.090
  617   2HG   MET  76          1HG       MET  76  -2.403 -20.805   1.529
  618   1HE   MET  76          1HE       MET  76  -1.467 -19.320   2.538
  619   2HE   MET  76          3HE       MET  76   0.247 -18.912   2.375
  620   3HE   MET  76          2HE       MET  76  -0.985 -17.807   1.774
  621    H    LEU  77           H        LEU  77  -0.720 -20.098  -3.302
  622    HA   LEU  77           HA       LEU  77   1.368 -22.064  -3.932
  623   1HB   LEU  77          2HB       LEU  77   0.682 -19.285  -4.785
  624   2HB   LEU  77          1HB       LEU  77   2.363 -19.794  -4.949
  625    HG   LEU  77           HG       LEU  77   1.305 -21.946  -6.033
  626   1HD1  LEU  77          2HD1      LEU  77  -1.030 -20.926  -5.398
  627   2HD1  LEU  77          1HD1      LEU  77  -0.801 -19.964  -6.857
  628   3HD1  LEU  77          3HD1      LEU  77  -0.833 -21.723  -6.958
  629   1HD2  LEU  77          2HD2      LEU  77   1.830 -19.234  -7.164
  630   2HD2  LEU  77          1HD2      LEU  77   2.638 -20.764  -7.499
  631   3HD2  LEU  77          3HD2      LEU  77   1.069 -20.417  -8.227
  632    H    SER  78           H        SER  78   3.676 -21.623  -3.447
  633    HA   SER  78           HA       SER  78   3.963 -20.436  -0.746
  634   1HB   SER  78          2HB       SER  78   5.806 -22.162  -2.421
  635   2HB   SER  78          1HB       SER  78   6.258 -21.493  -0.856
  636    HG   SER  78           HG       SER  78   5.101 -23.719  -1.175
  637    H    ASN  79           H        ASN  79   6.534 -20.479  -3.208
  638    HA   ASN  79           HA       ASN  79   7.902 -18.740  -3.984
  639   1HB   ASN  79          2HB       ASN  79   5.383 -18.202  -4.804
  640   2HB   ASN  79          1HB       ASN  79   5.682 -16.769  -3.820
  641   1HD2  ASN  79          2HD2      ASN  79   7.688 -15.288  -6.295
  642   2HD2  ASN  79          1HD2      ASN  79   6.708 -15.096  -4.922
  643    H    ASN  80           H        ASN  80   8.381 -16.228  -3.472
  644    HA   ASN  80           HA       ASN  80   8.754 -16.116  -0.534
  645   1HB   ASN  80          2HB       ASN  80   9.993 -14.743  -2.899
  646   2HB   ASN  80          1HB       ASN  80  10.088 -13.969  -1.316
  647   1HD2  ASN  80          2HD2      ASN  80  12.848 -16.624  -2.019
  648   2HD2  ASN  80          1HD2      ASN  80  12.119 -15.567  -3.127
  649    H    ASP  81           H        ASP  81   8.417 -13.887   0.490
  650    HA   ASP  81           HA       ASP  81   5.768 -12.874  -0.372
  651   1HB   ASP  81          2HB       ASP  81   5.853 -11.629   1.821
  652   2HB   ASP  81          1HB       ASP  81   5.939 -13.382   1.984
  653    H    SER  82           H        SER  82   6.481 -11.673  -2.235
  654    HA   SER  82           HA       SER  82   7.330  -8.953  -1.598
  655   1HB   SER  82          2HB       SER  82   9.317  -8.987  -3.087
  656   2HB   SER  82          1HB       SER  82   9.518 -10.064  -1.708
  657    HG   SER  82           HG       SER  82   9.008 -11.796  -3.029
  658    H    ARG  83           H        ARG  83   4.951  -9.809  -2.674
  659    HA   ARG  83           HA       ARG  83   4.948  -8.453  -5.257
  660   1HB   ARG  83          2HB       ARG  83   5.591 -10.814  -5.827
  661   2HB   ARG  83          1HB       ARG  83   4.061 -11.351  -5.134
  662   1HG   ARG  83          2HG       ARG  83   3.652  -9.158  -7.005
  663   2HG   ARG  83          1HG       ARG  83   4.500 -10.499  -7.771
  664   1HD   ARG  83          2HD       ARG  83   2.154 -11.165  -6.050
  665   2HD   ARG  83          1HD       ARG  83   1.829 -10.433  -7.621
  666    HE   ARG  83           HE       ARG  83   3.468 -12.921  -7.346
  667   1HH1  ARG  83          1HH2      ARG  83   3.551 -12.134 -10.053
  668   2HH1  ARG  83          2HH2      ARG  83   2.101 -12.761 -10.764
  669   1HH2  ARG  83          2HH1      ARG  83   0.504 -13.243  -7.724
  670   2HH2  ARG  83          1HH1      ARG  83   0.376 -13.390  -9.445
  671    H    TRP  84           H        TRP  84   3.406  -7.038  -4.380
  672    HA   TRP  84           HA       TRP  84   0.889  -8.233  -3.319
  673   1HB   TRP  84          2HB       TRP  84   1.898  -5.370  -3.257
  674   2HB   TRP  84          1HB       TRP  84   0.381  -5.925  -2.555
  675    HD1  TRP  84           HD1      TRP  84   4.059  -7.153  -2.347
  676    HE1  TRP  84           HE1      TRP  84   4.594  -7.633   0.127
  677    HE3  TRP  84           HE3      TRP  84  -0.420  -5.925  -0.221
  678    HZ2  TRP  84           HZ2      TRP  84   3.293  -7.516   2.673
  679    HZ3  TRP  84           HZ3      TRP  84  -0.744  -6.119   2.227
  680    HH2  TRP  84           HH2      TRP  84   1.105  -6.912   3.677
  681    H    GLU  85           H        GLU  85  -0.893  -8.248  -4.611
  682    HA   GLU  85           HA       GLU  85  -0.813  -6.596  -7.103
  683   1HB   GLU  85          2HB       GLU  85  -2.304  -9.165  -6.472
  684   2HB   GLU  85          1HB       GLU  85  -2.477  -8.258  -7.974
  685   1HG   GLU  85          2HG       GLU  85   0.267  -9.048  -7.056
  686   2HG   GLU  85          1HG       GLU  85  -0.759 -10.253  -7.832
  687    H    PHE  86           H        PHE  86  -1.968  -4.747  -6.710
  688    HA   PHE  86           HA       PHE  86  -4.248  -4.729  -4.872
  689   1HB   PHE  86          2HB       PHE  86  -3.241  -2.578  -6.764
  690   2HB   PHE  86          1HB       PHE  86  -4.429  -2.347  -5.483
  691    HD1  PHE  86           HD2      PHE  86  -3.308  -3.906  -3.249
  692    HD2  PHE  86           HD1      PHE  86  -1.333  -1.390  -6.119
  693    HE1  PHE  86           HE2      PHE  86  -1.469  -3.503  -1.634
  694    HE2  PHE  86           HE1      PHE  86   0.502  -0.986  -4.501
  695    HZ   PHE  86           HZ       PHE  86   0.433  -2.042  -2.259
  696    H    GLU  87           H        GLU  87  -6.066  -5.743  -5.602
  697    HA   GLU  87           HA       GLU  87  -6.844  -5.427  -8.458
  698   1HB   GLU  87          2HB       GLU  87  -6.805  -7.709  -7.246
  699   2HB   GLU  87          1HB       GLU  87  -8.253  -7.145  -6.410
  700   1HG   GLU  87          2HG       GLU  87  -9.436  -6.866  -8.496
  701   2HG   GLU  87          1HG       GLU  87  -7.970  -7.177  -9.427
  702    H    ASN  88           H        ASN  88  -8.993  -4.693  -8.984
  703    HA   ASN  88           HA       ASN  88 -10.162  -2.938  -6.870
  704   1HB   ASN  88          2HB       ASN  88  -9.345  -2.252  -9.387
  705   2HB   ASN  88          1HB       ASN  88 -11.050  -2.597  -9.675
  706   1HD2  ASN  88          2HD2      ASN  88 -11.964   0.546  -8.406
  707   2HD2  ASN  88          1HD2      ASN  88 -12.228  -0.688  -9.541
  708    H    GLU  89           H        GLU  89 -12.670  -2.570  -7.527
  709    HA   GLU  89           HA       GLU  89 -13.925  -5.157  -7.090
  710   1HB   GLU  89          2HB       GLU  89 -14.790  -2.313  -7.182
  711   2HB   GLU  89          1HB       GLU  89 -16.024  -3.519  -7.552
  712   1HG   GLU  89          2HG       GLU  89 -15.289  -4.736  -5.437
  713   2HG   GLU  89          1HG       GLU  89 -14.351  -3.297  -5.041
  714    H    ARG  90           H        ARG  90 -14.170  -2.726  -9.710
  715    HA   ARG  90           HA       ARG  90 -14.639  -2.987 -11.988
  716   1HB   ARG  90          2HB       ARG  90 -12.797  -4.709 -11.804
  717   2HB   ARG  90          1HB       ARG  90 -14.047  -5.929 -11.554
  718   1HG   ARG  90          2HG       ARG  90 -13.907  -6.092 -13.836
  719   2HG   ARG  90          1HG       ARG  90 -15.042  -4.743 -13.759
  720   1HD   ARG  90          2HD       ARG  90 -12.765  -3.344 -13.594
  721   2HD   ARG  90          1HD       ARG  90 -12.142  -4.745 -14.467
  722    HE   ARG  90           HE       ARG  90 -14.567  -3.864 -15.711
  723   1HH1  ARG  90          1HH2      ARG  90 -11.406  -4.231 -16.390
  724   2HH1  ARG  90          2HH2      ARG  90 -11.208  -2.795 -17.337
  725   1HH2  ARG  90          2HH1      ARG  90 -14.275  -1.459 -16.427
  726   2HH2  ARG  90          1HH1      ARG  90 -12.832  -1.225 -17.357
  727    H    HIS  91           H        HIS  91 -16.558  -3.162 -13.062
  728    HA   HIS  91           HA       HIS  91 -18.502  -5.250 -12.272
  729   1HB   HIS  91          2HB       HIS  91 -20.301  -3.505 -12.003
  730   2HB   HIS  91          1HB       HIS  91 -19.077  -3.470 -10.735
  731    HD1  HIS  91           HD1      HIS  91 -20.430  -1.494 -13.598
  732    HD2  HIS  91           HD2      HIS  91 -17.266  -1.238 -10.896
  733    HE1  HIS  91           HE1      HIS  91 -19.525   0.863 -13.776
  734    H    ALA  92           HN       ALA  92 -17.197  -5.213 -14.659
  735    HA   ALA  92           HA       ALA  92 -17.562  -5.237 -16.976
  736   1HB   ALA  92          1HB       ALA  92 -19.891  -6.066 -15.861
  737   2HB   ALA  92          3HB       ALA  92 -20.455  -4.625 -16.706
  738   3HB   ALA  92          2HB       ALA  92 -19.656  -5.917 -17.603
   
  No H/Q in entry =         738
  Start of MODEL           6
 Raw file had  756 H/Q atoms
  Start of MODEL    6
    1   1H    ALA   1          1H        ALA   1 -16.249  11.897  -3.600
    2   2H    ALA   1          3H        ALA   1 -17.239  13.273  -3.684
    3   3H    ALA   1          2H        ALA   1 -17.933  11.723  -3.751
    4    HA   ALA   1           HA       ALA   1 -17.175  11.312  -5.889
    5   1HB   ALA   1          3HB       ALA   1 -18.860  13.335  -5.480
    6   2HB   ALA   1          2HB       ALA   1 -17.532  14.269  -6.169
    7   3HB   ALA   1          1HB       ALA   1 -18.265  12.958  -7.097
    8    H    ARG   2           H        ARG   2 -15.439  13.993  -4.371
    9    HA   ARG   2           HA       ARG   2 -13.273  13.642  -6.405
   10   1HB   ARG   2          2HB       ARG   2 -13.818  16.033  -4.618
   11   2HB   ARG   2          1HB       ARG   2 -12.566  15.923  -5.853
   12   1HG   ARG   2          2HG       ARG   2 -14.904  15.217  -7.212
   13   2HG   ARG   2          1HG       ARG   2 -15.413  16.526  -6.147
   14   1HD   ARG   2          2HD       ARG   2 -12.895  17.271  -7.273
   15   2HD   ARG   2          1HD       ARG   2 -13.921  16.701  -8.588
   16    HE   ARG   2           HE       ARG   2 -15.612  18.366  -7.229
   17   1HH1  ARG   2          1HH2      ARG   2 -13.802  18.875  -9.785
   18   2HH1  ARG   2          2HH2      ARG   2 -13.255  20.476  -9.412
   19   1HH2  ARG   2          2HH1      ARG   2 -14.290  20.342  -6.104
   20   2HH2  ARG   2          1HH1      ARG   2 -13.532  21.307  -7.327
   21    HA   PRO   3           HA       PRO   3 -11.645  12.141  -2.405
   22   1HB   PRO   3          2HB       PRO   3 -10.301   9.963  -3.381
   23   2HB   PRO   3          1HB       PRO   3 -11.991   9.909  -2.856
   24   1HG   PRO   3          2HG       PRO   3 -10.890   9.873  -5.615
   25   2HG   PRO   3          1HG       PRO   3 -12.429   9.239  -5.013
   26   1HD   PRO   3          2HD       PRO   3 -12.060  11.667  -6.426
   27   2HD   PRO   3          1HD       PRO   3 -13.527  11.163  -5.568
   28    H    ALA   4           H        ALA   4  -9.916  13.392  -1.880
   29    HA   ALA   4           HA       ALA   4  -7.994  14.369  -3.757
   30   1HB   ALA   4          3HB       ALA   4  -8.697  15.135  -1.290
   31   2HB   ALA   4          2HB       ALA   4  -7.266  14.191  -0.871
   32   3HB   ALA   4          1HB       ALA   4  -7.131  15.554  -1.982
   33    H    PHE   5           H        PHE   5  -8.130  11.419  -1.886
   34    HA   PHE   5           HA       PHE   5  -5.294  10.838  -1.992
   35   1HB   PHE   5          2HB       PHE   5  -6.899   9.782  -0.371
   36   2HB   PHE   5          1HB       PHE   5  -7.592   8.878  -1.718
   37    HD1  PHE   5           HD2      PHE   5  -4.395   9.518   0.110
   38    HD2  PHE   5           HD1      PHE   5  -6.571   6.897  -2.511
   39    HE1  PHE   5           HE2      PHE   5  -2.595   7.822   0.307
   40    HE2  PHE   5           HE1      PHE   5  -4.772   5.204  -2.312
   41    HZ   PHE   5           HZ       PHE   5  -2.784   5.666  -0.905
   42    H    VAL   6           H        VAL   6  -8.092   9.837  -3.985
   43    HA   VAL   6           HA       VAL   6  -6.577   8.155  -5.748
   44    HB   VAL   6           HB       VAL   6  -9.108   9.690  -6.389
   45   1HG1  VAL   6          2HG1      VAL   6  -7.705   7.302  -7.586
   46   2HG1  VAL   6          1HG1      VAL   6  -9.426   7.585  -7.844
   47   3HG1  VAL   6          3HG1      VAL   6  -8.246   8.773  -8.393
   48   1HG2  VAL   6          3HG2      VAL   6  -8.558   7.246  -4.759
   49   2HG2  VAL   6          2HG2      VAL   6  -9.810   8.468  -4.554
   50   3HG2  VAL   6          1HG2      VAL   6  -9.985   7.230  -5.794
   51    H    ASN   7           H        ASN   7  -7.346  11.623  -5.801
   52    HA   ASN   7           HA       ASN   7  -6.356  12.206  -8.419
   53   1HB   ASN   7          2HB       ASN   7  -6.322  13.940  -5.923
   54   2HB   ASN   7          1HB       ASN   7  -6.071  14.524  -7.567
   55   1HD2  ASN   7          2HD2      ASN   7  -9.633  15.135  -7.059
   56   2HD2  ASN   7          1HD2      ASN   7  -8.133  15.821  -6.661
   57    H    LYS   8           H        LYS   8  -4.704  12.465  -5.252
   58    HA   LYS   8           HA       LYS   8  -2.122  12.991  -6.401
   59   1HB   LYS   8          2HB       LYS   8  -1.250  12.484  -4.147
   60   2HB   LYS   8          1HB       LYS   8  -2.651  13.549  -4.061
   61   1HG   LYS   8          2HG       LYS   8  -4.095  11.595  -3.575
   62   2HG   LYS   8          1HG       LYS   8  -2.681  10.545  -3.633
   63   1HD   LYS   8          2HD       LYS   8  -2.901  10.991  -1.336
   64   2HD   LYS   8          1HD       LYS   8  -1.695  12.171  -1.850
   65   1HE   LYS   8          2HE       LYS   8  -3.953  13.588  -2.326
   66   2HE   LYS   8          1HE       LYS   8  -4.502  12.592  -0.976
   67   1HZ   LYS   8          3HZ       LYS   8  -1.896  13.948  -0.826
   68   2HZ   LYS   8          2HZ       LYS   8  -3.317  14.829  -0.521
   69   3HZ   LYS   8          1HZ       LYS   8  -2.933  13.475   0.430
   70    H    LEU   9           H        LEU   9  -3.983  10.096  -6.104
   71    HA   LEU   9           HA       LEU   9  -1.788   8.213  -6.026
   72   1HB   LEU   9          2HB       LEU   9  -4.245   7.762  -5.435
   73   2HB   LEU   9          1HB       LEU   9  -4.538   7.687  -7.172
   74    HG   LEU   9           HG       LEU   9  -2.677   5.960  -7.295
   75   1HD1  LEU   9          1HD1      LEU   9  -2.760   6.522  -4.380
   76   2HD1  LEU   9          3HD1      LEU   9  -2.636   4.821  -4.830
   77   3HD1  LEU   9          2HD1      LEU   9  -1.418   5.970  -5.383
   78   1HD2  LEU   9          1HD2      LEU   9  -5.245   5.552  -7.123
   79   2HD2  LEU   9          3HD2      LEU   9  -4.165   4.189  -6.831
   80   3HD2  LEU   9          2HD2      LEU   9  -4.897   5.041  -5.471
   81    H    TRP  10           H        TRP  10  -3.484   9.961  -8.552
   82    HA   TRP  10           HA       TRP  10  -2.181   8.395 -10.690
   83   1HB   TRP  10          2HB       TRP  10  -3.870  10.893 -10.964
   84   2HB   TRP  10          1HB       TRP  10  -3.481   9.730 -12.226
   85    HD1  TRP  10           HD1      TRP  10  -6.426  10.600 -11.003
   86    HE1  TRP  10           HE1      TRP  10  -8.022   8.696 -10.340
   87    HE3  TRP  10           HE3      TRP  10  -3.084   6.740 -10.489
   88    HZ2  TRP  10           HZ2      TRP  10  -7.914   5.929  -9.670
   89    HZ3  TRP  10           HZ3      TRP  10  -3.874   4.492  -9.834
   90    HH2  TRP  10           HH2      TRP  10  -6.282   4.079  -9.425
   91    H    SER  11           H        SER  11  -0.233   9.411  -9.213
   92    HA   SER  11           HA       SER  11   1.089  11.318 -10.998
   93   1HB   SER  11          2HB       SER  11   0.690  11.928  -8.048
   94   2HB   SER  11          1HB       SER  11   1.708  12.850  -9.151
   95    HG   SER  11           HG       SER  11  -0.482  13.666  -8.810
   96    H    MET  12           H        MET  12   1.188   9.617  -7.878
   97    HA   MET  12           HA       MET  12   4.070   9.104  -8.110
   98   1HB   MET  12          2HB       MET  12   2.982   9.473  -5.889
   99   2HB   MET  12          1HB       MET  12   2.033   8.009  -6.139
  100   1HG   MET  12          2HG       MET  12   3.988   6.627  -6.120
  101   2HG   MET  12          1HG       MET  12   5.056   8.026  -6.219
  102   1HE   MET  12          3HE       MET  12   2.619   6.009  -4.575
  103   2HE   MET  12          2HE       MET  12   3.053   5.964  -2.868
  104   3HE   MET  12          1HE       MET  12   1.905   7.168  -3.445
  105    H    VAL  13           H        VAL  13   1.002   7.476  -8.728
  106    HA   VAL  13           HA       VAL  13   2.355   4.901  -9.267
  107    HB   VAL  13           HB       VAL  13  -0.544   5.556  -9.812
  108   1HG1  VAL  13          1HG1      VAL  13   1.162   3.127  -9.605
  109   2HG1  VAL  13          3HG1      VAL  13  -0.465   3.004  -8.936
  110   3HG1  VAL  13          2HG1      VAL  13  -0.237   3.434 -10.630
  111   1HG2  VAL  13          1HG2      VAL  13   0.702   4.642  -7.195
  112   2HG2  VAL  13          3HG2      VAL  13  -0.054   6.210  -7.484
  113   3HG2  VAL  13          2HG2      VAL  13  -1.029   4.740  -7.519
  114    H    ASN  14           H        ASN  14   2.337   7.649 -10.968
  115    HA   ASN  14           HA       ASN  14   1.240   7.072 -13.513
  116   1HB   ASN  14          2HB       ASN  14   3.032   9.026 -12.365
  117   2HB   ASN  14          1HB       ASN  14   3.655   8.515 -13.933
  118   1HD2  ASN  14          2HD2      ASN  14   1.428  10.869 -15.352
  119   2HD2  ASN  14          1HD2      ASN  14   3.046  10.421 -15.105
  120    H    ASP  15           H        ASP  15   4.132   5.876 -11.964
  121    HA   ASP  15           HA       ASP  15   5.546   4.114 -12.566
  122   1HB   ASP  15          2HB       ASP  15   3.346   3.229 -13.628
  123   2HB   ASP  15          1HB       ASP  15   4.048   3.760 -15.154
  124    H    LYS  16           H        LYS  16   5.393   7.027 -14.105
  125    HA   LYS  16           HA       LYS  16   7.397   6.390 -16.185
  126   1HB   LYS  16          2HB       LYS  16   5.396   8.290 -16.073
  127   2HB   LYS  16          1HB       LYS  16   6.823   9.234 -15.642
  128   1HG   LYS  16          2HG       LYS  16   7.966   8.563 -17.661
  129   2HG   LYS  16          1HG       LYS  16   6.696   7.404 -18.054
  130   1HD   LYS  16          2HD       LYS  16   5.086   9.203 -18.370
  131   2HD   LYS  16          1HD       LYS  16   6.270  10.398 -17.839
  132   1HE   LYS  16          2HE       LYS  16   7.696   9.239 -19.807
  133   2HE   LYS  16          1HE       LYS  16   6.072   8.948 -20.431
  134   1HZ   LYS  16          2HZ       LYS  16   5.641  11.365 -20.007
  135   2HZ   LYS  16          1HZ       LYS  16   7.309  11.549 -19.738
  136   3HZ   LYS  16          3HZ       LYS  16   6.747  11.035 -21.253
  137    H    SER  17           H        SER  17   7.078   8.133 -13.122
  138    HA   SER  17           HA       SER  17   9.961   8.777 -13.078
  139   1HB   SER  17          2HB       SER  17   9.258   9.648 -10.724
  140   2HB   SER  17          1HB       SER  17   8.678  10.518 -12.141
  141    HG   SER  17           HG       SER  17   6.924  10.138 -10.839
  142    H    ASN  18           H        ASN  18   7.623   6.687 -11.437
  143    HA   ASN  18           HA       ASN  18   9.849   5.362  -9.959
  144   1HB   ASN  18          2HB       ASN  18   6.834   5.188  -9.629
  145   2HB   ASN  18          1HB       ASN  18   8.003   4.303  -8.650
  146   1HD2  ASN  18          2HD2      ASN  18   7.043   7.708  -7.139
  147   2HD2  ASN  18          1HD2      ASN  18   6.065   6.528  -7.871
  148    H    GLU  19           H        GLU  19   9.805   4.896 -12.679
  149    HA   GLU  19           HA       GLU  19   8.238   2.704 -13.580
  150   1HB   GLU  19          2HB       GLU  19   9.575   4.208 -15.047
  151   2HB   GLU  19          1HB       GLU  19  11.047   3.457 -14.436
  152   1HG   GLU  19          2HG       GLU  19  10.337   1.282 -15.302
  153   2HG   GLU  19          1HG       GLU  19   8.807   1.974 -15.844
  154    H    LYS  20           H        LYS  20  11.277   2.760 -11.751
  155    HA   LYS  20           HA       LYS  20  11.339  -0.216 -11.870
  156   1HB   LYS  20          2HB       LYS  20  13.624  -0.059 -11.006
  157   2HB   LYS  20          1HB       LYS  20  13.442   0.957 -12.433
  158   1HG   LYS  20          2HG       LYS  20  12.820   2.781 -10.557
  159   2HG   LYS  20          1HG       LYS  20  13.860   1.739  -9.589
  160   1HD   LYS  20          2HD       LYS  20  14.652   2.817 -12.305
  161   2HD   LYS  20          1HD       LYS  20  15.077   3.604 -10.784
  162   1HE   LYS  20          2HE       LYS  20  16.048   1.316 -10.085
  163   2HE   LYS  20          1HE       LYS  20  15.942   0.893 -11.794
  164   1HZ   LYS  20          1HZ       LYS  20  17.349   3.285 -10.742
  165   2HZ   LYS  20          3HZ       LYS  20  18.113   1.827 -11.148
  166   3HZ   LYS  20          2HZ       LYS  20  17.334   2.738 -12.350
  167    H    PHE  21           H        PHE  21   9.378   1.214 -10.238
  168    HA   PHE  21           HA       PHE  21  10.054  -0.055  -7.641
  169   1HB   PHE  21          2HB       PHE  21   9.028   2.790  -7.887
  170   2HB   PHE  21          1HB       PHE  21   9.287   1.911  -6.381
  171    HD1  PHE  21           HD1      PHE  21  11.711   0.842  -6.123
  172    HD2  PHE  21           HD2      PHE  21  10.743   4.156  -8.674
  173    HE1  PHE  21           HE1      PHE  21  14.091   1.539  -6.119
  174    HE2  PHE  21           HE2      PHE  21  13.122   4.855  -8.672
  175    HZ   PHE  21           HZ       PHE  21  14.797   3.546  -7.393
  176    H    ILE  22           H        ILE  22   7.456   2.018  -8.990
  177    HA   ILE  22           HA       ILE  22   5.537  -0.180  -8.324
  178    HB   ILE  22           HB       ILE  22   5.219   1.826  -6.908
  179   1HG1  ILE  22          2HG1      ILE  22   3.024   1.606  -8.990
  180   2HG1  ILE  22          1HG1      ILE  22   3.264   0.445  -7.684
  181   1HG2  ILE  22          2HG2      ILE  22   4.878   3.220  -9.577
  182   2HG2  ILE  22          1HG2      ILE  22   4.414   3.928  -8.030
  183   3HG2  ILE  22          3HG2      ILE  22   6.105   3.549  -8.355
  184   1HD1  ILE  22          3HD1      ILE  22   3.188   3.273  -6.822
  185   2HD1  ILE  22          2HD1      ILE  22   1.672   2.655  -7.482
  186   3HD1  ILE  22          1HD1      ILE  22   2.426   1.854  -6.104
  187    H    HIS  23           H        HIS  23   3.620  -0.250  -9.821
  188    HA   HIS  23           HA       HIS  23   3.602   1.172 -12.313
  189   1HB   HIS  23          2HB       HIS  23   4.302  -0.725 -13.793
  190   2HB   HIS  23          1HB       HIS  23   5.623  -0.087 -12.815
  191    HD1  HIS  23           HD1      HIS  23   4.227  -3.208 -13.782
  192    HD2  HIS  23           HD2      HIS  23   5.716  -1.721 -10.183
  193    HE1  HIS  23           HE1      HIS  23   4.771  -5.222 -12.345
  194    H    TRP  24           H        TRP  24   1.909   0.389 -13.746
  195    HA   TRP  24           HA       TRP  24  -0.302  -0.853 -12.297
  196   1HB   TRP  24          2HB       TRP  24   0.059   0.153 -15.128
  197   2HB   TRP  24          1HB       TRP  24  -1.420  -0.644 -14.600
  198    HD1  TRP  24           HD1      TRP  24   0.820   2.264 -13.350
  199    HE1  TRP  24           HE1      TRP  24  -0.728   4.125 -12.458
  200    HE3  TRP  24           HE3      TRP  24  -3.720   0.041 -14.051
  201    HZ2  TRP  24           HZ2      TRP  24  -3.527   4.606 -12.098
  202    HZ3  TRP  24           HZ3      TRP  24  -5.808   1.218 -13.429
  203    HH2  TRP  24           HH2      TRP  24  -5.719   3.496 -12.453
  204    H    SER  25           H        SER  25  -1.545  -2.669 -13.516
  205    HA   SER  25           HA       SER  25   0.367  -4.857 -14.027
  206   1HB   SER  25          2HB       SER  25  -2.390  -4.631 -13.143
  207   2HB   SER  25          1HB       SER  25  -2.260  -5.787 -14.465
  208    HG   SER  25           HG       SER  25  -0.883  -6.988 -13.290
  209    H    THR  26           H        THR  26  -0.428  -6.381 -15.952
  210    HA   THR  26           HA       THR  26  -0.010  -4.936 -18.389
  211    HB   THR  26           HB       THR  26  -1.328  -7.650 -18.241
  212    HG1  THR  26           HG1      THR  26   0.663  -8.519 -17.873
  213   1HG2  THR  26          3HG2      THR  26   0.429  -6.156 -20.176
  214   2HG2  THR  26          2HG2      THR  26   0.340  -7.916 -20.217
  215   3HG2  THR  26          1HG2      THR  26  -1.115  -6.954 -20.476
  216    H    SER  27           H        SER  27  -2.964  -6.235 -16.876
  217    HA   SER  27           HA       SER  27  -4.701  -5.403 -19.041
  218   1HB   SER  27          2HB       SER  27  -5.045  -7.113 -16.998
  219   2HB   SER  27          1HB       SER  27  -5.788  -5.686 -16.279
  220    HG   SER  27           HG       SER  27  -6.415  -6.897 -18.774
  221    H    GLY  28           H        GLY  28  -3.398  -3.837 -16.191
  222   1HA   GLY  28          2HA       GLY  28  -3.361  -1.493 -15.785
  223   2HA   GLY  28          1HA       GLY  28  -4.509  -1.275 -17.106
  224    H    GLU  29           H        GLU  29  -4.866  -3.464 -14.340
  225    HA   GLU  29           HA       GLU  29  -6.951  -1.690 -13.192
  226   1HB   GLU  29          2HB       GLU  29  -7.728  -3.672 -14.888
  227   2HB   GLU  29          1HB       GLU  29  -7.714  -4.551 -13.359
  228   1HG   GLU  29          2HG       GLU  29  -9.003  -2.462 -12.446
  229   2HG   GLU  29          1HG       GLU  29  -9.356  -2.158 -14.149
  230    H    SER  30           H        SER  30  -4.248  -2.605 -12.371
  231    HA   SER  30           HA       SER  30  -4.825  -3.189  -9.622
  232   1HB   SER  30          2HB       SER  30  -5.313  -5.433 -10.310
  233   2HB   SER  30          1HB       SER  30  -3.901  -5.484 -11.363
  234    HG   SER  30           HG       SER  30  -3.439  -6.533  -9.426
  235    H    ILE  31           H        ILE  31  -3.016  -2.798  -8.373
  236    HA   ILE  31           HA       ILE  31  -0.634  -1.804  -9.799
  237    HB   ILE  31           HB       ILE  31  -1.269  -1.857  -6.829
  238   1HG1  ILE  31          2HG1      ILE  31  -1.513   0.442  -8.794
  239   2HG1  ILE  31          1HG1      ILE  31  -2.877  -0.560  -8.301
  240   1HG2  ILE  31          3HG2      ILE  31   0.803  -0.365  -8.473
  241   2HG2  ILE  31          2HG2      ILE  31   0.458  -0.036  -6.774
  242   3HG2  ILE  31          1HG2      ILE  31   1.118  -1.600  -7.254
  243   1HD1  ILE  31          2HD1      ILE  31  -1.133   0.741  -6.221
  244   2HD1  ILE  31          1HD1      ILE  31  -2.416   1.662  -7.007
  245   3HD1  ILE  31          3HD1      ILE  31  -2.810   0.210  -6.087
  246    H    VAL  32           H        VAL  32   1.516  -2.584  -9.268
  247    HA   VAL  32           HA       VAL  32   1.632  -5.216  -7.887
  248    HB   VAL  32           HB       VAL  32   2.863  -4.709 -10.613
  249   1HG1  VAL  32          3HG1      VAL  32   4.061  -6.304  -9.096
  250   2HG1  VAL  32          2HG1      VAL  32   2.582  -7.260  -8.996
  251   3HG1  VAL  32          1HG1      VAL  32   3.414  -7.080 -10.541
  252   1HG2  VAL  32          1HG2      VAL  32   0.263  -5.888  -9.727
  253   2HG2  VAL  32          3HG2      VAL  32   0.640  -4.980 -11.190
  254   3HG2  VAL  32          2HG2      VAL  32   1.105  -6.676 -11.061
  255    H    VAL  33           H        VAL  33   3.340  -5.259  -6.513
  256    HA   VAL  33           HA       VAL  33   5.615  -3.399  -7.067
  257    HB   VAL  33           HB       VAL  33   4.366  -4.006  -4.372
  258   1HG1  VAL  33          1HG1      VAL  33   6.852  -2.563  -5.225
  259   2HG1  VAL  33          3HG1      VAL  33   5.961  -1.970  -3.824
  260   3HG1  VAL  33          2HG1      VAL  33   6.597  -3.616  -3.834
  261   1HG2  VAL  33          3HG2      VAL  33   3.126  -2.457  -5.986
  262   2HG2  VAL  33          2HG2      VAL  33   3.537  -1.766  -4.415
  263   3HG2  VAL  33          1HG2      VAL  33   4.502  -1.365  -5.836
  264    HA   PRO  34           HA       PRO  34   7.325  -7.573  -6.615
  265   1HB   PRO  34          2HB       PRO  34   9.687  -7.068  -7.918
  266   2HB   PRO  34          1HB       PRO  34   8.200  -7.552  -8.749
  267   1HG   PRO  34          2HG       PRO  34   9.500  -4.883  -8.641
  268   2HG   PRO  34          1HG       PRO  34   8.413  -5.556  -9.867
  269   1HD   PRO  34          2HD       PRO  34   7.708  -3.711  -7.833
  270   2HD   PRO  34          1HD       PRO  34   6.590  -4.595  -8.888
  271    H    ASN  35           H        ASN  35   8.669  -4.403  -5.941
  272    HA   ASN  35           HA       ASN  35  10.269  -5.602  -3.717
  273   1HB   ASN  35          2HB       ASN  35  10.987  -3.131  -5.328
  274   2HB   ASN  35          1HB       ASN  35  11.958  -3.878  -4.058
  275   1HD2  ASN  35          2HD2      ASN  35  12.769  -5.110  -7.659
  276   2HD2  ASN  35          1HD2      ASN  35  12.325  -3.549  -7.161
  277    H    ARG  36           H        ARG  36   8.424  -5.211  -2.328
  278    HA   ARG  36           HA       ARG  36   7.246  -2.580  -2.057
  279   1HB   ARG  36          2HB       ARG  36   6.421  -5.007  -1.324
  280   2HB   ARG  36          1HB       ARG  36   7.182  -4.538   0.195
  281   1HG   ARG  36          2HG       ARG  36   5.527  -2.405  -0.966
  282   2HG   ARG  36          1HG       ARG  36   4.611  -3.861  -0.586
  283   1HD   ARG  36          2HD       ARG  36   6.377  -2.292   1.311
  284   2HD   ARG  36          1HD       ARG  36   4.620  -2.428   1.371
  285    HE   ARG  36           HE       ARG  36   5.557  -5.056   1.512
  286   1HH1  ARG  36          1HH2      ARG  36   4.064  -3.457   3.680
  287   2HH1  ARG  36          2HH2      ARG  36   5.158  -3.633   5.012
  288   1HH2  ARG  36          2HH1      ARG  36   7.802  -4.710   3.043
  289   2HH2  ARG  36          1HH1      ARG  36   7.274  -4.342   4.651
  290    H    GLU  37           H        GLU  37  10.166  -3.981  -0.845
  291    HA   GLU  37           HA       GLU  37  10.317  -2.154   1.457
  292   1HB   GLU  37          2HB       GLU  37  12.473  -3.225   1.915
  293   2HB   GLU  37          1HB       GLU  37  11.238  -4.449   1.625
  294   1HG   GLU  37          2HG       GLU  37  12.025  -4.582  -0.763
  295   2HG   GLU  37          1HG       GLU  37  13.344  -3.493  -0.336
  296    H    ARG  38           H        ARG  38  11.419  -2.241  -1.855
  297    HA   ARG  38           HA       ARG  38  13.365  -0.067  -1.391
  298   1HB   ARG  38          2HB       ARG  38  13.205  -2.134  -3.244
  299   2HB   ARG  38          1HB       ARG  38  12.753  -0.717  -4.188
  300   1HG   ARG  38          2HG       ARG  38  14.850   0.158  -4.102
  301   2HG   ARG  38          1HG       ARG  38  15.060  -0.267  -2.405
  302   1HD   ARG  38          2HD       ARG  38  15.066  -2.743  -3.614
  303   2HD   ARG  38          1HD       ARG  38  15.871  -1.741  -4.822
  304    HE   ARG  38           HE       ARG  38  16.800  -1.744  -1.981
  305   1HH1  ARG  38          1HH1      ARG  38  19.507  -1.038  -4.488
  306   2HH1  ARG  38          2HH1      ARG  38  18.184  -0.033  -3.996
  307   1HH2  ARG  38          1HH2      ARG  38  18.124  -3.947  -3.200
  308   2HH2  ARG  38          2HH2      ARG  38  19.474  -3.254  -4.037
  309    H    PHE  39           H        PHE  39  10.141  -0.544  -2.741
  310    HA   PHE  39           HA       PHE  39   9.847   1.972  -4.056
  311   1HB   PHE  39          2HB       PHE  39   8.210   0.252  -4.458
  312   2HB   PHE  39          1HB       PHE  39   7.837   0.115  -2.745
  313    HD1  PHE  39           HD1      PHE  39   7.464   2.259  -5.754
  314    HD2  PHE  39           HD2      PHE  39   6.328   1.649  -1.660
  315    HE1  PHE  39           HE1      PHE  39   5.673   3.953  -6.000
  316    HE2  PHE  39           HE2      PHE  39   4.539   3.347  -1.905
  317    HZ   PHE  39           HZ       PHE  39   4.210   4.499  -4.076
  318    H    VAL  40           H        VAL  40   8.367   1.113  -0.918
  319    HA   VAL  40           HA       VAL  40   7.707   3.673  -0.051
  320    HB   VAL  40           HB       VAL  40   8.778   1.497   1.763
  321   1HG1  VAL  40          2HG1      VAL  40   8.318   3.812   2.699
  322   2HG1  VAL  40          1HG1      VAL  40   6.629   3.570   2.253
  323   3HG1  VAL  40          3HG1      VAL  40   7.388   2.510   3.440
  324   1HG2  VAL  40          3HG2      VAL  40   6.118   1.838   0.374
  325   2HG2  VAL  40          2HG2      VAL  40   7.134   0.399   0.456
  326   3HG2  VAL  40          1HG2      VAL  40   6.253   0.937   1.884
  327    H    GLN  41           H        GLN  41  10.785   1.991   0.556
  328    HA   GLN  41           HA       GLN  41  12.106   3.834   2.155
  329   1HB   GLN  41          2HB       GLN  41  12.919   1.576   1.253
  330   2HB   GLN  41          1HB       GLN  41  13.494   2.480  -0.147
  331   1HG   GLN  41          2HG       GLN  41  15.367   2.880   1.054
  332   2HG   GLN  41          1HG       GLN  41  14.397   4.003   1.999
  333   1HE2  GLN  41          2HE2      GLN  41  14.940   2.084   4.887
  334   2HE2  GLN  41          1HE2      GLN  41  14.840   3.619   4.170
  335    H    GLU  42           H        GLU  42  12.171   3.894  -1.453
  336    HA   GLU  42           HA       GLU  42  12.977   6.767  -1.205
  337   1HB   GLU  42          2HB       GLU  42  13.782   4.793  -3.357
  338   2HB   GLU  42          1HB       GLU  42  14.284   6.481  -3.263
  339   1HG   GLU  42          2HG       GLU  42  15.185   5.909  -0.921
  340   2HG   GLU  42          1HG       GLU  42  14.988   4.219  -1.388
  341    H    VAL  43           H        VAL  43  10.226   6.011  -1.386
  342    HA   VAL  43           HA       VAL  43   9.551   7.474  -3.846
  343    HB   VAL  43           HB       VAL  43   8.285   4.756  -3.385
  344   1HG1  VAL  43          2HG1      VAL  43   8.080   6.865  -5.551
  345   2HG1  VAL  43          1HG1      VAL  43   7.489   5.215  -5.753
  346   3HG1  VAL  43          3HG1      VAL  43   6.787   6.257  -4.516
  347   1HG2  VAL  43          1HG2      VAL  43  10.423   5.649  -5.348
  348   2HG2  VAL  43          3HG2      VAL  43  10.605   4.437  -4.081
  349   3HG2  VAL  43          2HG2      VAL  43   9.553   4.121  -5.459
  350    H    LEU  44           H        LEU  44   8.353   5.858  -0.887
  351    HA   LEU  44           HA       LEU  44   5.772   7.099  -0.926
  352   1HB   LEU  44          2HB       LEU  44   6.595   5.159   0.565
  353   2HB   LEU  44          1HB       LEU  44   7.215   6.419   1.628
  354    HG   LEU  44           HG       LEU  44   4.899   7.459   1.557
  355   1HD1  LEU  44          1HD1      LEU  44   4.382   4.836   0.148
  356   2HD1  LEU  44          3HD1      LEU  44   3.102   5.699   1.001
  357   3HD1  LEU  44          2HD1      LEU  44   3.922   6.461  -0.361
  358   1HD2  LEU  44          1HD2      LEU  44   5.948   5.691   3.275
  359   2HD2  LEU  44          3HD2      LEU  44   4.284   6.255   3.430
  360   3HD2  LEU  44          2HD2      LEU  44   4.621   4.700   2.671
  361    HA   PRO  45           HA       PRO  45   7.575  10.506   1.788
  362   1HB   PRO  45          2HB       PRO  45  10.289  10.849   1.938
  363   2HB   PRO  45          1HB       PRO  45   9.361   9.890   3.104
  364   1HG   PRO  45          2HG       PRO  45  11.172   8.964   0.939
  365   2HG   PRO  45          1HG       PRO  45  10.712   8.150   2.443
  366   1HD   PRO  45          2HD       PRO  45   9.678   7.612  -0.142
  367   2HD   PRO  45          1HD       PRO  45   9.049   6.998   1.396
  368    H    LYS  46           H        LYS  46   8.780   9.609  -1.302
  369    HA   LYS  46           HA       LYS  46  10.001  12.055  -2.121
  370   1HB   LYS  46          2HB       LYS  46   9.731   9.590  -3.233
  371   2HB   LYS  46          1HB       LYS  46   8.529  10.488  -4.161
  372   1HG   LYS  46          2HG       LYS  46  11.403  11.368  -3.769
  373   2HG   LYS  46          1HG       LYS  46  10.792  10.554  -5.210
  374   1HD   LYS  46          2HD       LYS  46   9.004  12.459  -5.219
  375   2HD   LYS  46          1HD       LYS  46  10.156  13.306  -4.187
  376   1HE   LYS  46          2HE       LYS  46  11.178  12.034  -6.696
  377   2HE   LYS  46          1HE       LYS  46  10.275  13.544  -6.831
  378   1HZ   LYS  46          2HZ       LYS  46  12.647  13.100  -5.100
  379   2HZ   LYS  46          1HZ       LYS  46  12.646  13.943  -6.575
  380   3HZ   LYS  46          3HZ       LYS  46  11.785  14.556  -5.248
  381    H    TYR  47           H        TYR  47   6.644  11.041  -1.888
  382    HA   TYR  47           HA       TYR  47   5.840  13.662  -3.091
  383   1HB   TYR  47          2HB       TYR  47   4.318  11.041  -2.967
  384   2HB   TYR  47          1HB       TYR  47   3.652  12.558  -3.574
  385    HD1  TYR  47           HD2      TYR  47   6.375  10.055  -4.106
  386    HD2  TYR  47           HD1      TYR  47   4.117  13.314  -5.776
  387    HE1  TYR  47           HE2      TYR  47   7.395   9.630  -6.325
  388    HE2  TYR  47           HE1      TYR  47   5.141  12.882  -7.993
  389    HH   TYR  47           HH       TYR  47   7.189  11.830  -8.897
  390    H    PHE  48           H        PHE  48   4.887  11.258  -0.616
  391    HA   PHE  48           HA       PHE  48   3.216  13.228   0.769
  392   1HB   PHE  48          2HB       PHE  48   4.058  10.396   1.421
  393   2HB   PHE  48          1HB       PHE  48   3.046  11.367   2.491
  394    HD1  PHE  48           HD1      PHE  48   0.773  12.002   1.853
  395    HD2  PHE  48           HD2      PHE  48   3.232   9.627  -0.745
  396    HE1  PHE  48           HE1      PHE  48  -1.221  11.421   0.497
  397    HE2  PHE  48           HE2      PHE  48   1.238   9.045  -2.101
  398    HZ   PHE  48           HZ       PHE  48  -0.989   9.942  -1.479
  399    H    LYS  49           H        LYS  49   3.624  13.458   3.239
  400    HA   LYS  49           HA       LYS  49   6.539  13.943   3.671
  401   1HB   LYS  49          2HB       LYS  49   4.550  15.832   3.632
  402   2HB   LYS  49          1HB       LYS  49   4.678  15.456   5.342
  403   1HG   LYS  49          2HG       LYS  49   6.481  16.797   5.449
  404   2HG   LYS  49          1HG       LYS  49   7.340  15.629   4.445
  405   1HD   LYS  49          2HD       LYS  49   5.521  17.615   3.123
  406   2HD   LYS  49          1HD       LYS  49   7.116  18.142   3.659
  407   1HE   LYS  49          2HE       LYS  49   7.919  15.944   2.437
  408   2HE   LYS  49          1HE       LYS  49   6.395  16.118   1.566
  409   1HZ   LYS  49          1HZ       LYS  49   7.084  18.463   1.117
  410   2HZ   LYS  49          3HZ       LYS  49   8.615  18.074   1.733
  411   3HZ   LYS  49          2HZ       LYS  49   8.032  17.282   0.347
  412    H    HIS  50           H        HIS  50   3.573  13.607   5.649
  413    HA   HIS  50           HA       HIS  50   5.177  11.970   7.566
  414   1HB   HIS  50          2HB       HIS  50   2.702  13.672   7.884
  415   2HB   HIS  50          1HB       HIS  50   3.169  12.484   9.100
  416    HD1  HIS  50           HD1      HIS  50   4.491  13.537  10.922
  417    HD2  HIS  50           HD2      HIS  50   5.261  15.348   7.247
  418    HE1  HIS  50           HE1      HIS  50   6.191  15.361  11.366
  419    H    SER  51           H        SER  51   4.176  10.779   5.161
  420    HA   SER  51           HA       SER  51   1.977   9.054   6.232
  421   1HB   SER  51          2HB       SER  51   2.737   9.570   3.342
  422   2HB   SER  51          1HB       SER  51   1.395   8.572   3.898
  423    HG   SER  51           HG       SER  51   0.490  10.425   4.835
  424    H    ASN  52           H        ASN  52   2.444   6.934   6.530
  425    HA   ASN  52           HA       ASN  52   5.080   5.946   5.529
  426   1HB   ASN  52          2HB       ASN  52   4.750   4.176   7.355
  427   2HB   ASN  52          1HB       ASN  52   5.068   5.820   7.908
  428   1HD2  ASN  52          2HD2      ASN  52   1.815   6.277   9.296
  429   2HD2  ASN  52          1HD2      ASN  52   3.211   7.075   8.749
  430    H    PHE  53           H        PHE  53   4.994   3.405   5.294
  431    HA   PHE  53           HA       PHE  53   3.366   2.779   3.082
  432   1HB   PHE  53          2HB       PHE  53   4.029   0.442   3.441
  433   2HB   PHE  53          1HB       PHE  53   5.407   1.513   3.683
  434    HD1  PHE  53           HD1      PHE  53   6.218   2.019   5.990
  435    HD2  PHE  53           HD2      PHE  53   3.071  -0.814   5.258
  436    HE1  PHE  53           HE1      PHE  53   6.492   1.120   8.283
  437    HE2  PHE  53           HE2      PHE  53   3.349  -1.715   7.552
  438    HZ   PHE  53           HZ       PHE  53   5.059  -0.747   9.064
  439    H    ALA  54           H        ALA  54   2.796   2.080   6.528
  440    HA   ALA  54           HA       ALA  54   0.444   0.509   6.192
  441   1HB   ALA  54          3HB       ALA  54   1.764   0.814   8.330
  442   2HB   ALA  54          2HB       ALA  54   1.003   2.397   8.495
  443   3HB   ALA  54          1HB       ALA  54   0.015   0.936   8.526
  444    H    SER  55           H        SER  55   0.917   4.018   6.347
  445    HA   SER  55           HA       SER  55  -1.910   4.660   6.404
  446   1HB   SER  55          2HB       SER  55   0.140   6.160   7.016
  447   2HB   SER  55          1HB       SER  55   0.200   6.496   5.287
  448    HG   SER  55           HG       SER  55  -1.466   7.467   7.159
  449    H    PHE  56           H        PHE  56   0.386   3.867   3.896
  450    HA   PHE  56           HA       PHE  56  -1.078   4.988   1.672
  451   1HB   PHE  56          2HB       PHE  56   1.347   4.344   1.617
  452   2HB   PHE  56          1HB       PHE  56   0.860   2.652   1.686
  453    HD1  PHE  56           HD2      PHE  56  -0.479   5.612  -0.199
  454    HD2  PHE  56           HD1      PHE  56   1.181   1.656  -0.397
  455    HE1  PHE  56           HE2      PHE  56  -0.787   5.606  -2.662
  456    HE2  PHE  56           HE1      PHE  56   0.873   1.650  -2.858
  457    HZ   PHE  56           HZ       PHE  56  -0.109   3.624  -3.990
  458    H    VAL  57           H        VAL  57  -0.758   1.636   2.866
  459    HA   VAL  57           HA       VAL  57  -2.730   0.540   1.100
  460    HB   VAL  57           HB       VAL  57  -1.862  -0.506   3.816
  461   1HG1  VAL  57          2HG1      VAL  57  -3.397  -1.620   1.493
  462   2HG1  VAL  57          1HG1      VAL  57  -2.355  -2.702   2.417
  463   3HG1  VAL  57          3HG1      VAL  57  -3.668  -1.844   3.221
  464   1HG2  VAL  57          3HG2      VAL  57  -0.062   0.020   1.992
  465   2HG2  VAL  57          2HG2      VAL  57  -0.047  -1.568   2.756
  466   3HG2  VAL  57          1HG2      VAL  57  -0.747  -1.368   1.150
  467    H    ARG  58           H        ARG  58  -2.959   2.150   4.217
  468    HA   ARG  58           HA       ARG  58  -5.623   1.267   4.870
  469   1HB   ARG  58          2HB       ARG  58  -3.919   2.403   6.423
  470   2HB   ARG  58          1HB       ARG  58  -4.427   3.922   5.683
  471   1HG   ARG  58          2HG       ARG  58  -6.440   3.916   6.746
  472   2HG   ARG  58          1HG       ARG  58  -6.655   2.179   6.535
  473   1HD   ARG  58          2HD       ARG  58  -4.627   2.138   8.306
  474   2HD   ARG  58          1HD       ARG  58  -5.371   3.671   8.766
  475    HE   ARG  58           HE       ARG  58  -7.108   2.415   9.731
  476   1HH1  ARG  58          1HH2      ARG  58  -8.570   1.257   7.667
  477   2HH1  ARG  58          2HH2      ARG  58  -8.196  -0.434   7.692
  478   1HH2  ARG  58          2HH1      ARG  58  -5.318  -0.044   9.584
  479   2HH2  ARG  58          1HH1      ARG  58  -6.358  -1.170   8.776
  480    H    GLN  59           H        GLN  59  -4.382   4.195   3.248
  481    HA   GLN  59           HA       GLN  59  -6.894   5.458   2.802
  482   1HB   GLN  59          2HB       GLN  59  -4.323   5.516   1.199
  483   2HB   GLN  59          1HB       GLN  59  -5.694   6.579   0.882
  484   1HG   GLN  59          2HG       GLN  59  -4.635   6.415   3.678
  485   2HG   GLN  59          1HG       GLN  59  -3.723   7.347   2.490
  486   1HE2  GLN  59          2HE2      GLN  59  -7.109   8.894   4.034
  487   2HE2  GLN  59          1HE2      GLN  59  -6.431   7.447   4.605
  488    H    LEU  60           H        LEU  60  -5.033   3.232   0.717
  489    HA   LEU  60           HA       LEU  60  -6.856   3.109  -1.450
  490   1HB   LEU  60          2HB       LEU  60  -4.934   1.053  -0.333
  491   2HB   LEU  60          1HB       LEU  60  -5.839   0.809  -1.827
  492    HG   LEU  60           HG       LEU  60  -4.202   3.304  -1.418
  493   1HD1  LEU  60          2HD1      LEU  60  -3.251   0.609  -2.431
  494   2HD1  LEU  60          1HD1      LEU  60  -2.361   2.117  -2.634
  495   3HD1  LEU  60          3HD1      LEU  60  -2.649   1.475  -1.018
  496   1HD2  LEU  60          3HD2      LEU  60  -5.945   2.845  -3.311
  497   2HD2  LEU  60          2HD2      LEU  60  -4.369   3.501  -3.756
  498   3HD2  LEU  60          1HD2      LEU  60  -4.701   1.782  -3.970
  499    H    ASN  61           H        ASN  61  -6.847   1.409   1.647
  500    HA   ASN  61           HA       ASN  61  -8.889  -0.502   1.014
  501   1HB   ASN  61          2HB       ASN  61  -7.708   0.609   3.525
  502   2HB   ASN  61          1HB       ASN  61  -9.226  -0.280   3.642
  503   1HD2  ASN  61          2HD2      ASN  61  -6.167  -2.439   1.944
  504   2HD2  ASN  61          1HD2      ASN  61  -6.466  -0.858   1.406
  505    H    MET  62           H        MET  62  -9.006   2.845   2.138
  506    HA   MET  62           HA       MET  62 -11.928   2.706   2.526
  507   1HB   MET  62          2HB       MET  62 -10.256   4.071   3.949
  508   2HB   MET  62          1HB       MET  62 -10.266   5.217   2.608
  509   1HG   MET  62          2HG       MET  62 -12.552   5.707   2.878
  510   2HG   MET  62          1HG       MET  62 -12.850   4.236   3.805
  511   1HE   MET  62          2HE       MET  62 -14.224   5.793   4.860
  512   2HE   MET  62          1HE       MET  62 -13.796   5.992   6.558
  513   3HE   MET  62          3HE       MET  62 -13.745   7.380   5.460
  514    H    TYR  63           H        TYR  63 -10.260   2.769  -0.264
  515    HA   TYR  63           HA       TYR  63 -12.202   4.673  -1.500
  516   1HB   TYR  63          2HB       TYR  63  -9.249   4.398  -1.987
  517   2HB   TYR  63          1HB       TYR  63 -10.315   5.042  -3.237
  518    HD1  TYR  63           HD2      TYR  63 -12.133   6.797  -2.244
  519    HD2  TYR  63           HD1      TYR  63  -8.274   5.951  -0.570
  520    HE1  TYR  63           HE2      TYR  63 -12.153   8.994  -1.094
  521    HE2  TYR  63           HE1      TYR  63  -8.289   8.149   0.583
  522    HH   TYR  63           HH       TYR  63  -9.387  10.364   0.296
  523    H    GLY  64           H        GLY  64 -12.284   1.680  -1.242
  524   1HA   GLY  64          2HA       GLY  64 -13.504   0.338  -2.891
  525   2HA   GLY  64          1HA       GLY  64 -12.584   1.137  -4.162
  526    H    TRP  65           H        TRP  65  -9.969   0.845  -3.213
  527    HA   TRP  65           HA       TRP  65  -9.310  -1.793  -4.039
  528   1HB   TRP  65          2HB       TRP  65  -7.634  -0.007  -2.248
  529   2HB   TRP  65          1HB       TRP  65  -7.051  -1.337  -3.240
  530    HD1  TRP  65           HD1      TRP  65  -8.322   2.249  -3.466
  531    HE1  TRP  65           HE1      TRP  65  -7.785   3.177  -5.810
  532    HE3  TRP  65           HE3      TRP  65  -6.645  -2.008  -5.740
  533    HZ2  TRP  65           HZ2      TRP  65  -6.771   2.242  -8.313
  534    HZ3  TRP  65           HZ3      TRP  65  -5.899  -1.957  -8.103
  535    HH2  TRP  65           HH2      TRP  65  -5.960   0.161  -9.391
  536    H    HIS  66           H        HIS  66  -9.004  -3.716  -2.909
  537    HA   HIS  66           HA       HIS  66  -9.018  -3.703   0.038
  538   1HB   HIS  66          2HB       HIS  66 -11.296  -4.752  -1.629
  539   2HB   HIS  66          1HB       HIS  66 -10.931  -5.467  -0.058
  540    HD1  HIS  66           HD1      HIS  66 -12.895  -2.842  -1.513
  541    HD2  HIS  66           HD2      HIS  66 -10.737  -3.243   2.031
  542    HE1  HIS  66           HE1      HIS  66 -13.763  -1.056   0.061
  543    H    LYS  67           H        LYS  67  -7.167  -4.545  -2.074
  544    HA   LYS  67           HA       LYS  67  -5.749  -6.352  -2.554
  545   1HB   LYS  67          2HB       LYS  67  -6.673  -6.703   0.212
  546   2HB   LYS  67          1HB       LYS  67  -6.199  -8.221  -0.548
  547   1HG   LYS  67          2HG       LYS  67  -4.094  -7.618   0.053
  548   2HG   LYS  67          1HG       LYS  67  -4.171  -6.564  -1.360
  549   1HD   LYS  67          2HD       LYS  67  -4.541  -4.660  -0.089
  550   2HD   LYS  67          1HD       LYS  67  -5.294  -5.560   1.228
  551   1HE   LYS  67          2HE       LYS  67  -2.665  -6.552   1.083
  552   2HE   LYS  67          1HE       LYS  67  -2.512  -4.806   0.887
  553   1HZ   LYS  67          2HZ       LYS  67  -3.885  -4.519   2.869
  554   2HZ   LYS  67          1HZ       LYS  67  -3.956  -6.203   3.070
  555   3HZ   LYS  67          3HZ       LYS  67  -2.471  -5.397   3.209
  556    H    VAL  68           H        VAL  68  -5.826  -8.922  -2.684
  557    HA   VAL  68           HA       VAL  68  -8.390 -10.169  -3.039
  558    HB   VAL  68           HB       VAL  68  -8.342  -8.578  -5.005
  559   1HG1  VAL  68          1HG1      VAL  68  -5.858  -8.823  -5.407
  560   2HG1  VAL  68          3HG1      VAL  68  -6.189 -10.424  -6.068
  561   3HG1  VAL  68          2HG1      VAL  68  -6.852  -8.992  -6.853
  562   1HG2  VAL  68          2HG2      VAL  68  -8.703 -11.513  -5.095
  563   2HG2  VAL  68          1HG2      VAL  68  -9.824 -10.223  -5.527
  564   3HG2  VAL  68          3HG2      VAL  68  -8.577 -10.726  -6.668
  565    H    GLN  69           H        GLN  69  -5.816 -10.703  -1.809
  566    HA   GLN  69           HA       GLN  69  -5.179 -13.260  -3.202
  567   1HB   GLN  69          2HB       GLN  69  -3.163 -11.356  -1.960
  568   2HB   GLN  69          1HB       GLN  69  -2.787 -12.936  -2.646
  569   1HG   GLN  69          2HG       GLN  69  -4.227 -10.874  -4.298
  570   2HG   GLN  69          1HG       GLN  69  -2.473 -10.815  -4.136
  571   1HE2  GLN  69          2HE2      GLN  69  -2.007 -13.347  -6.519
  572   2HE2  GLN  69          1HE2      GLN  69  -1.383 -11.999  -5.697
  573    H    ASP  70           H        ASP  70  -3.240 -12.605  -0.403
  574    HA   ASP  70           HA       ASP  70  -3.238 -13.613   1.705
  575   1HB   ASP  70          2HB       ASP  70  -6.084 -12.700   1.330
  576   2HB   ASP  70          1HB       ASP  70  -5.602 -13.550   2.799
  577    H    VAL  71           H        VAL  71  -2.729 -15.708   0.575
  578    HA   VAL  71           HA       VAL  71  -4.878 -17.679   1.159
  579    HB   VAL  71           HB       VAL  71  -4.091 -18.928  -0.966
  580   1HG1  VAL  71          3HG1      VAL  71  -5.666 -16.344  -1.124
  581   2HG1  VAL  71          2HG1      VAL  71  -5.682 -17.607  -2.356
  582   3HG1  VAL  71          1HG1      VAL  71  -6.308 -17.942  -0.741
  583   1HG2  VAL  71          1HG2      VAL  71  -2.138 -17.311  -1.312
  584   2HG2  VAL  71          3HG2      VAL  71  -3.138 -17.614  -2.730
  585   3HG2  VAL  71          2HG2      VAL  71  -3.334 -16.120  -1.814
  586    H    LYS  72           H        LYS  72  -1.403 -17.161   0.509
  587    HA   LYS  72           HA       LYS  72  -0.800 -19.217   2.534
  588   1HB   LYS  72          2HB       LYS  72   0.853 -20.332   0.955
  589   2HB   LYS  72          1HB       LYS  72  -0.848 -20.640   0.609
  590   1HG   LYS  72          2HG       LYS  72  -0.702 -18.635  -1.005
  591   2HG   LYS  72          1HG       LYS  72   1.046 -18.784  -0.839
  592   1HD   LYS  72          2HD       LYS  72  -0.374 -21.324  -1.377
  593   2HD   LYS  72          1HD       LYS  72  -0.435 -20.146  -2.687
  594   1HE   LYS  72          2HE       LYS  72   2.164 -20.803  -1.306
  595   2HE   LYS  72          1HE       LYS  72   1.569 -21.783  -2.647
  596   1HZ   LYS  72          3HZ       LYS  72   1.664 -18.858  -2.922
  597   2HZ   LYS  72          2HZ       LYS  72   3.095 -19.757  -3.105
  598   3HZ   LYS  72          1HZ       LYS  72   1.765 -20.053  -4.121
  599    H    SER  73           H        SER  73   0.023 -17.345   3.653
  600    HA   SER  73           HA       SER  73   2.064 -15.636   2.556
  601   1HB   SER  73          2HB       SER  73   1.078 -16.243   5.334
  602   2HB   SER  73          1HB       SER  73   2.523 -15.263   5.105
  603    HG   SER  73           HG       SER  73   1.220 -13.943   3.690
  604    H    GLY  74           H        GLY  74   2.170 -18.574   4.566
  605   1HA   GLY  74          2HA       GLY  74   5.134 -18.619   4.295
  606   2HA   GLY  74          1HA       GLY  74   4.201 -19.589   5.437
  607    H    SER  75           H        SER  75   4.006 -21.696   4.883
  608    HA   SER  75           HA       SER  75   3.956 -23.649   3.582
  609   1HB   SER  75          2HB       SER  75   1.957 -22.312   2.650
  610   2HB   SER  75          1HB       SER  75   3.015 -21.909   1.300
  611    HG   SER  75           HG       SER  75   2.461 -23.788   0.554
  612    H    MET  76           H        MET  76   6.335 -21.710   3.455
  613    HA   MET  76           HA       MET  76   7.978 -23.211   1.689
  614   1HB   MET  76          2HB       MET  76   6.409 -21.135   0.403
  615   2HB   MET  76          1HB       MET  76   8.127 -20.761   0.272
  616   1HG   MET  76          2HG       MET  76   7.079 -23.522  -0.344
  617   2HG   MET  76          1HG       MET  76   7.087 -22.251  -1.566
  618   1HE   MET  76          2HE       MET  76   8.248 -25.057  -0.995
  619   2HE   MET  76          1HE       MET  76   9.166 -24.770  -2.470
  620   3HE   MET  76          3HE       MET  76  10.003 -25.203  -0.974
  621    H    LEU  77           H        LEU  77   9.760 -23.042   2.960
  622    HA   LEU  77           HA       LEU  77  10.364 -20.894   4.712
  623   1HB   LEU  77          2HB       LEU  77  12.659 -21.863   4.785
  624   2HB   LEU  77          1HB       LEU  77  11.401 -23.084   4.977
  625    HG   LEU  77           HG       LEU  77  11.668 -23.093   2.272
  626   1HD1  LEU  77          1HD1      LEU  77  13.711 -21.452   2.900
  627   2HD1  LEU  77          3HD1      LEU  77  14.535 -23.002   3.068
  628   3HD1  LEU  77          2HD1      LEU  77  13.780 -22.567   1.536
  629   1HD2  LEU  77          1HD2      LEU  77  13.294 -24.634   4.319
  630   2HD2  LEU  77          3HD2      LEU  77  11.716 -25.085   3.674
  631   3HD2  LEU  77          2HD2      LEU  77  13.134 -25.102   2.625
  632    H    SER  78           H        SER  78  10.916 -21.227   1.285
  633    HA   SER  78           HA       SER  78  12.613 -18.769   1.319
  634   1HB   SER  78          2HB       SER  78  12.910 -19.575  -1.192
  635   2HB   SER  78          1HB       SER  78  13.854 -20.304   0.103
  636    HG   SER  78           HG       SER  78  12.950 -22.098  -0.500
  637    H    ASN  79           H        ASN  79  10.564 -17.545   1.662
  638    HA   ASN  79           HA       ASN  79   8.388 -17.543  -0.167
  639   1HB   ASN  79          2HB       ASN  79   9.502 -15.603   1.811
  640   2HB   ASN  79          1HB       ASN  79   8.352 -14.987   0.626
  641   1HD2  ASN  79          2HD2      ASN  79   6.684 -16.553   3.737
  642   2HD2  ASN  79          1HD2      ASN  79   8.062 -15.568   3.638
  643    H    ASN  80           H        ASN  80   8.053 -15.132  -1.341
  644    HA   ASN  80           HA       ASN  80  10.319 -15.024  -3.282
  645   1HB   ASN  80          2HB       ASN  80   7.658 -15.470  -3.776
  646   2HB   ASN  80          1HB       ASN  80   7.769 -13.731  -4.035
  647   1HD2  ASN  80          2HD2      ASN  80   9.048 -16.107  -6.941
  648   2HD2  ASN  80          1HD2      ASN  80   7.969 -16.569  -5.714
  649    H    ASP  81           H        ASP  81  11.113 -13.610  -1.284
  650    HA   ASP  81           HA       ASP  81  11.745 -11.492  -0.534
  651   1HB   ASP  81          2HB       ASP  81  11.107 -11.130  -3.422
  652   2HB   ASP  81          1HB       ASP  81  11.289  -9.668  -2.451
  653    H    SER  82           H        SER  82   9.190 -10.042  -2.529
  654    HA   SER  82           HA       SER  82   7.557  -9.648  -0.064
  655   1HB   SER  82          2HB       SER  82   8.402  -7.536  -2.061
  656   2HB   SER  82          1HB       SER  82   7.131  -7.298  -0.865
  657    HG   SER  82           HG       SER  82   8.633  -7.609   0.752
  658    H    ARG  83           H        ARG  83   7.359  -8.634  -3.486
  659    HA   ARG  83           HA       ARG  83   5.669  -8.946  -5.075
  660   1HB   ARG  83          2HB       ARG  83   5.521 -11.482  -3.453
  661   2HB   ARG  83          1HB       ARG  83   4.397 -11.192  -4.780
  662   1HG   ARG  83          2HG       ARG  83   7.413 -11.037  -5.049
  663   2HG   ARG  83          1HG       ARG  83   6.459 -12.461  -5.462
  664   1HD   ARG  83          2HD       ARG  83   5.141 -10.386  -6.777
  665   2HD   ARG  83          1HD       ARG  83   6.849  -9.991  -6.973
  666    HE   ARG  83           HE       ARG  83   5.901 -12.737  -7.637
  667   1HH1  ARG  83          1HH2      ARG  83   8.216 -13.062  -8.720
  668   2HH1  ARG  83          2HH2      ARG  83   8.362 -12.114 -10.163
  669   1HH2  ARG  83          2HH1      ARG  83   5.686 -10.050  -9.394
  670   2HH2  ARG  83          1HH1      ARG  83   6.929 -10.411 -10.544
  671    H    TRP  84           H        TRP  84   4.176  -7.331  -4.744
  672    HA   TRP  84           HA       TRP  84   1.927  -7.948  -2.872
  673   1HB   TRP  84          2HB       TRP  84   3.319  -5.322  -3.390
  674   2HB   TRP  84          1HB       TRP  84   1.699  -5.395  -2.703
  675    HD1  TRP  84           HD1      TRP  84   5.218  -6.798  -2.014
  676    HE1  TRP  84           HE1      TRP  84   5.510  -7.025   0.537
  677    HE3  TRP  84           HE3      TRP  84   0.553  -5.427  -0.481
  678    HZ2  TRP  84           HZ2      TRP  84   3.952  -6.689   2.919
  679    HZ3  TRP  84           HZ3      TRP  84  -0.023  -5.394   1.928
  680    HH2  TRP  84           HH2      TRP  84   1.669  -6.022   3.629
  681    H    GLU  85           H        GLU  85  -0.129  -6.765  -3.560
  682    HA   GLU  85           HA       GLU  85  -0.298  -5.832  -6.320
  683   1HB   GLU  85          2HB       GLU  85  -0.453  -8.591  -5.968
  684   2HB   GLU  85          1HB       GLU  85  -2.146  -8.095  -6.015
  685   1HG   GLU  85          2HG       GLU  85  -2.009  -7.341  -8.192
  686   2HG   GLU  85          1HG       GLU  85  -0.302  -6.917  -8.049
  687    H    PHE  86           H        PHE  86  -2.220  -4.662  -6.641
  688    HA   PHE  86           HA       PHE  86  -4.174  -4.705  -4.382
  689   1HB   PHE  86          2HB       PHE  86  -3.252  -2.231  -5.878
  690   2HB   PHE  86          1HB       PHE  86  -4.368  -2.279  -4.515
  691    HD1  PHE  86           HD1      PHE  86  -3.012  -4.266  -2.740
  692    HD2  PHE  86           HD2      PHE  86  -1.392  -1.030  -5.046
  693    HE1  PHE  86           HE1      PHE  86  -1.101  -4.105  -1.169
  694    HE2  PHE  86           HE2      PHE  86   0.523  -0.873  -3.483
  695    HZ   PHE  86           HZ       PHE  86   0.670  -2.410  -1.544
  696    H    GLU  87           H        GLU  87  -6.282  -4.851  -5.019
  697    HA   GLU  87           HA       GLU  87  -6.935  -4.283  -7.879
  698   1HB   GLU  87          2HB       GLU  87  -6.638  -6.811  -7.104
  699   2HB   GLU  87          1HB       GLU  87  -8.265  -6.572  -6.472
  700   1HG   GLU  87          2HG       GLU  87  -9.060  -6.956  -8.546
  701   2HG   GLU  87          1HG       GLU  87  -8.307  -5.446  -9.060
  702    H    ASN  88           H        ASN  88  -9.231  -3.803  -8.214
  703    HA   ASN  88           HA       ASN  88 -10.732  -3.113  -5.734
  704   1HB   ASN  88          2HB       ASN  88 -11.374  -0.944  -6.738
  705   2HB   ASN  88          1HB       ASN  88  -9.628  -1.053  -6.523
  706   1HD2  ASN  88          2HD2      ASN  88  -9.034  -1.406 -10.104
  707   2HD2  ASN  88          1HD2      ASN  88  -8.458  -1.997  -8.622
  708    H    GLU  89           H        GLU  89 -13.016  -2.169  -6.711
  709    HA   GLU  89           HA       GLU  89 -14.964  -2.559  -7.956
  710   1HB   GLU  89          2HB       GLU  89 -13.165  -3.149  -9.855
  711   2HB   GLU  89          1HB       GLU  89 -13.789  -4.774  -9.570
  712   1HG   GLU  89          2HG       GLU  89 -16.084  -3.979  -9.944
  713   2HG   GLU  89          1HG       GLU  89 -15.484  -2.338 -10.192
  714    H    ARG  90           H        ARG  90 -13.359  -5.759  -7.870
  715    HA   ARG  90           HA       ARG  90 -14.984  -6.684  -5.657
  716   1HB   ARG  90          2HB       ARG  90 -16.357  -6.660  -8.020
  717   2HB   ARG  90          1HB       ARG  90 -15.636  -8.268  -8.076
  718   1HG   ARG  90          2HG       ARG  90 -16.666  -8.922  -6.040
  719   2HG   ARG  90          1HG       ARG  90 -17.065  -7.257  -5.614
  720   1HD   ARG  90          2HD       ARG  90 -18.175  -8.410  -8.152
  721   2HD   ARG  90          1HD       ARG  90 -18.919  -8.851  -6.614
  722    HE   ARG  90           HE       ARG  90 -18.680  -6.029  -7.582
  723   1HH1  ARG  90          1HH2      ARG  90 -19.451  -5.225  -5.230
  724   2HH1  ARG  90          2HH2      ARG  90 -21.084  -5.717  -4.928
  725   1HH2  ARG  90          2HH1      ARG  90 -21.112  -8.100  -7.446
  726   2HH2  ARG  90          1HH1      ARG  90 -22.025  -7.345  -6.183
  727    H    HIS  91           H        HIS  91 -14.742  -9.237  -5.572
  728    HA   HIS  91           HA       HIS  91 -11.867  -9.787  -6.003
  729   1HB   HIS  91          2HB       HIS  91 -14.011 -11.405  -4.591
  730   2HB   HIS  91          1HB       HIS  91 -12.287 -11.777  -4.599
  731    HD1  HIS  91           HD1      HIS  91 -11.136 -10.961  -2.558
  732    HD2  HIS  91           HD2      HIS  91 -14.330  -8.487  -3.590
  733    HE1  HIS  91           HE1      HIS  91 -11.213  -9.124  -0.814
  734    H    ALA  92           HN       ALA  92 -11.546 -12.319  -6.550
  735    HA   ALA  92           HA       ALA  92 -13.385 -13.091  -8.761
  736   1HB   ALA  92          3HB       ALA  92 -10.389 -12.720  -8.962
  737   2HB   ALA  92          2HB       ALA  92 -11.306 -13.687 -10.118
  738   3HB   ALA  92          1HB       ALA  92 -11.641 -11.963  -9.948
   
  No H/Q in entry =         738
  Start of MODEL           7
 Raw file had  756 H/Q atoms
  Start of MODEL    7
    1   1H    ALA   1          3H        ALA   1 -16.602  13.610  -7.397
    2   2H    ALA   1          2H        ALA   1 -17.748  14.846  -7.190
    3   3H    ALA   1          1H        ALA   1 -16.373  15.109  -8.155
    4    HA   ALA   1           HA       ALA   1 -15.946  16.204  -6.128
    5   1HB   ALA   1          3HB       ALA   1 -17.333  13.813  -5.064
    6   2HB   ALA   1          2HB       ALA   1 -15.992  14.404  -4.083
    7   3HB   ALA   1          1HB       ALA   1 -17.338  15.474  -4.472
    8    H    ARG   2           H        ARG   2 -15.248  12.696  -5.924
    9    HA   ARG   2           HA       ARG   2 -13.222  11.533  -5.978
   10   1HB   ARG   2          2HB       ARG   2 -12.058  14.030  -7.240
   11   2HB   ARG   2          1HB       ARG   2 -11.432  12.387  -7.350
   12   1HG   ARG   2          2HG       ARG   2 -14.176  13.172  -8.358
   13   2HG   ARG   2          1HG       ARG   2 -12.739  13.179  -9.380
   14   1HD   ARG   2          2HD       ARG   2 -13.125  10.992  -9.775
   15   2HD   ARG   2          1HD       ARG   2 -12.684  10.682  -8.096
   16    HE   ARG   2           HE       ARG   2 -15.377  11.456  -8.036
   17   1HH1  ARG   2          1HH2      ARG   2 -16.077  10.168 -10.443
   18   2HH1  ARG   2          2HH2      ARG   2 -16.171   8.481 -10.058
   19   1HH2  ARG   2          2HH1      ARG   2 -14.356   8.777  -7.120
   20   2HH2  ARG   2          1HH1      ARG   2 -15.197   7.695  -8.178
   21    HA   PRO   3           HA       PRO   3 -11.145  13.397  -2.563
   22   1HB   PRO   3          2HB       PRO   3  -9.685  11.242  -1.706
   23   2HB   PRO   3          1HB       PRO   3 -11.429  11.404  -1.441
   24   1HG   PRO   3          2HG       PRO   3  -9.979   9.640  -3.330
   25   2HG   PRO   3          1HG       PRO   3 -11.596   9.450  -2.634
   26   1HD   PRO   3          2HD       PRO   3 -10.980  10.363  -5.255
   27   2HD   PRO   3          1HD       PRO   3 -12.571  10.387  -4.472
   28    H    ALA   4           H        ALA   4  -9.007  14.080  -1.871
   29    HA   ALA   4           HA       ALA   4  -7.175  14.612  -4.012
   30   1HB   ALA   4          1HB       ALA   4  -7.543  15.852  -1.733
   31   2HB   ALA   4          3HB       ALA   4  -6.346  14.709  -1.125
   32   3HB   ALA   4          2HB       ALA   4  -5.928  15.809  -2.440
   33    H    PHE   5           H        PHE   5  -7.478  11.911  -1.825
   34    HA   PHE   5           HA       PHE   5  -4.742  11.009  -1.948
   35   1HB   PHE   5          2HB       PHE   5  -6.524  10.240  -0.292
   36   2HB   PHE   5          1HB       PHE   5  -7.168   9.237  -1.594
   37    HD1  PHE   5           HD2      PHE   5  -4.088   9.940   0.388
   38    HD2  PHE   5           HD1      PHE   5  -6.149   7.172  -2.170
   39    HE1  PHE   5           HE2      PHE   5  -2.358   8.226   0.850
   40    HE2  PHE   5           HE1      PHE   5  -4.417   5.456  -1.707
   41    HZ   PHE   5           HZ       PHE   5  -2.522   5.984  -0.196
   42    H    VAL   6           H        VAL   6  -7.645  10.208  -3.867
   43    HA   VAL   6           HA       VAL   6  -6.279   8.303  -5.559
   44    HB   VAL   6           HB       VAL   6  -8.792   9.914  -6.130
   45   1HG1  VAL   6          1HG1      VAL   6  -7.665   7.365  -7.333
   46   2HG1  VAL   6          3HG1      VAL   6  -9.292   7.971  -7.640
   47   3HG1  VAL   6          2HG1      VAL   6  -7.890   8.909  -8.154
   48   1HG2  VAL   6          3HG2      VAL   6  -8.559   8.317  -4.017
   49   2HG2  VAL   6          2HG2      VAL   6 -10.021   8.296  -5.004
   50   3HG2  VAL   6          1HG2      VAL   6  -8.787   7.057  -5.229
   51    H    ASN   7           H        ASN   7  -6.806  11.785  -5.654
   52    HA   ASN   7           HA       ASN   7  -5.968  12.238  -8.359
   53   1HB   ASN   7          2HB       ASN   7  -5.948  13.974  -5.883
   54   2HB   ASN   7          1HB       ASN   7  -5.428  14.570  -7.459
   55   1HD2  ASN   7          2HD2      ASN   7  -8.726  15.146  -8.510
   56   2HD2  ASN   7          1HD2      ASN   7  -7.075  15.511  -8.659
   57    H    LYS   8           H        LYS   8  -4.173  11.998  -5.313
   58    HA   LYS   8           HA       LYS   8  -1.617  12.670  -6.574
   59   1HB   LYS   8          2HB       LYS   8  -0.655  12.067  -4.358
   60   2HB   LYS   8          1HB       LYS   8  -1.970  13.232  -4.217
   61   1HG   LYS   8          2HG       LYS   8  -3.516  11.520  -3.523
   62   2HG   LYS   8          1HG       LYS   8  -2.367  10.244  -3.918
   63   1HD   LYS   8          2HD       LYS   8  -2.167  10.452  -1.581
   64   2HD   LYS   8          1HD       LYS   8  -0.816  11.408  -2.190
   65   1HE   LYS   8          2HE       LYS   8  -1.734  13.386  -1.505
   66   2HE   LYS   8          1HE       LYS   8  -3.376  12.872  -1.889
   67   1HZ   LYS   8          3HZ       LYS   8  -1.974  11.583   0.343
   68   2HZ   LYS   8          2HZ       LYS   8  -2.612  13.141   0.572
   69   3HZ   LYS   8          1HZ       LYS   8  -3.634  11.858   0.127
   70    H    LEU   9           H        LEU   9  -3.463   9.778  -5.973
   71    HA   LEU   9           HA       LEU   9  -1.267   7.906  -6.127
   72   1HB   LEU   9          2HB       LEU   9  -3.577   7.458  -5.165
   73   2HB   LEU   9          1HB       LEU   9  -4.165   7.378  -6.826
   74    HG   LEU   9           HG       LEU   9  -2.282   5.650  -7.207
   75   1HD1  LEU   9          1HD1      LEU   9  -2.379   5.834  -4.189
   76   2HD1  LEU   9          3HD1      LEU   9  -1.800   4.393  -5.024
   77   3HD1  LEU   9          2HD1      LEU   9  -0.965   5.932  -5.238
   78   1HD2  LEU   9          3HD2      LEU   9  -4.812   5.253  -6.920
   79   2HD2  LEU   9          2HD2      LEU   9  -3.755   3.876  -6.615
   80   3HD2  LEU   9          1HD2      LEU   9  -4.432   4.785  -5.263
   81    H    TRP  10           H        TRP  10  -3.523   9.270  -8.509
   82    HA   TRP  10           HA       TRP  10  -2.652   7.630 -10.710
   83   1HB   TRP  10          2HB       TRP  10  -4.286  10.093 -10.355
   84   2HB   TRP  10          1HB       TRP  10  -3.613   9.811 -11.957
   85    HD1  TRP  10           HD1      TRP  10  -6.159   9.431 -12.763
   86    HE1  TRP  10           HE1      TRP  10  -7.625   7.313 -12.734
   87    HE3  TRP  10           HE3      TRP  10  -3.604   6.602  -9.340
   88    HZ2  TRP  10           HZ2      TRP  10  -7.710   4.774 -11.445
   89    HZ3  TRP  10           HZ3      TRP  10  -4.407   4.344  -8.739
   90    HH2  TRP  10           HH2      TRP  10  -6.456   3.426  -9.784
   91    H    SER  11           H        SER  11  -1.066  10.205  -9.096
   92    HA   SER  11           HA       SER  11   0.490  10.961 -11.513
   93   1HB   SER  11          2HB       SER  11   1.465  12.701 -10.022
   94   2HB   SER  11          1HB       SER  11  -0.291  12.798 -10.100
   95    HG   SER  11           HG       SER  11   0.355  12.894  -7.956
   96    H    MET  12           H        MET  12   0.858   9.407  -8.364
   97    HA   MET  12           HA       MET  12   3.750   9.112  -8.537
   98   1HB   MET  12          2HB       MET  12   1.561   8.045  -6.790
   99   2HB   MET  12          1HB       MET  12   3.138   7.260  -6.757
  100   1HG   MET  12          2HG       MET  12   3.784   9.952  -6.615
  101   2HG   MET  12          1HG       MET  12   2.312   9.853  -5.653
  102   1HE   MET  12          3HE       MET  12   1.991   7.431  -4.458
  103   2HE   MET  12          2HE       MET  12   3.280   6.328  -4.933
  104   3HE   MET  12          1HE       MET  12   3.164   6.863  -3.258
  105    H    VAL  13           H        VAL  13   1.056   6.783  -8.767
  106    HA   VAL  13           HA       VAL  13   2.674   4.581  -9.581
  107    HB   VAL  13           HB       VAL  13  -0.248   4.937 -10.279
  108   1HG1  VAL  13          1HG1      VAL  13   1.461   2.914 -10.870
  109   2HG1  VAL  13          3HG1      VAL  13   0.901   2.391  -9.281
  110   3HG1  VAL  13          2HG1      VAL  13  -0.262   2.674 -10.578
  111   1HG2  VAL  13          3HG2      VAL  13   1.081   4.338  -7.632
  112   2HG2  VAL  13          2HG2      VAL  13  -0.225   5.470  -7.968
  113   3HG2  VAL  13          1HG2      VAL  13  -0.537   3.737  -7.992
  114    H    ASN  14           H        ASN  14   1.101   7.142 -11.435
  115    HA   ASN  14           HA       ASN  14   1.778   5.812 -13.990
  116   1HB   ASN  14          2HB       ASN  14  -0.299   7.437 -13.283
  117   2HB   ASN  14          1HB       ASN  14   0.786   8.598 -14.044
  118   1HD2  ASN  14          2HD2      ASN  14   0.733   6.271 -17.076
  119   2HD2  ASN  14          1HD2      ASN  14   1.948   6.595 -15.936
  120    H    ASP  15           H        ASP  15   3.808   7.069 -11.976
  121    HA   ASP  15           HA       ASP  15   5.034   9.125 -13.714
  122   1HB   ASP  15          2HB       ASP  15   5.047   8.533 -10.883
  123   2HB   ASP  15          1HB       ASP  15   6.704   8.564 -11.480
  124    H    LYS  16           H        LYS  16   6.561   8.547 -15.173
  125    HA   LYS  16           HA       LYS  16   7.502   5.846 -15.440
  126   1HB   LYS  16          2HB       LYS  16   7.922   8.426 -16.800
  127   2HB   LYS  16          1HB       LYS  16   9.339   7.375 -16.832
  128   1HG   LYS  16          2HG       LYS  16   8.246   5.705 -18.030
  129   2HG   LYS  16          1HG       LYS  16   6.650   6.205 -17.471
  130   1HD   LYS  16          2HD       LYS  16   6.368   7.490 -19.298
  131   2HD   LYS  16          1HD       LYS  16   7.845   8.383 -18.935
  132   1HE   LYS  16          2HE       LYS  16   8.305   5.685 -20.042
  133   2HE   LYS  16          1HE       LYS  16   7.497   6.797 -21.147
  134   1HZ   LYS  16          2HZ       LYS  16   9.249   8.416 -20.731
  135   2HZ   LYS  16          1HZ       LYS  16  10.033   7.323 -19.695
  136   3HZ   LYS  16          3HZ       LYS  16   9.891   6.967 -21.346
  137    H    SER  17           H        SER  17   8.682   8.628 -13.674
  138    HA   SER  17           HA       SER  17  11.399   7.850 -13.320
  139   1HB   SER  17          2HB       SER  17  11.423   9.393 -11.469
  140   2HB   SER  17          1HB       SER  17  10.372  10.078 -12.705
  141    HG   SER  17           HG       SER  17   9.707   9.780 -10.286
  142    H    ASN  18           H        ASN  18   8.447   6.952 -11.570
  143    HA   ASN  18           HA       ASN  18  10.078   5.067  -9.915
  144   1HB   ASN  18          2HB       ASN  18   7.197   5.545  -9.276
  145   2HB   ASN  18          1HB       ASN  18   8.549   5.256  -8.188
  146   1HD2  ASN  18          2HD2      ASN  18   7.307   8.970  -8.490
  147   2HD2  ASN  18          1HD2      ASN  18   6.377   7.567  -8.700
  148    H    GLU  19           H        GLU  19   9.193   4.620 -12.718
  149    HA   GLU  19           HA       GLU  19   6.934   2.847 -12.763
  150   1HB   GLU  19          2HB       GLU  19   8.130   3.998 -14.745
  151   2HB   GLU  19          1HB       GLU  19   9.267   2.654 -14.663
  152   1HG   GLU  19          2HG       GLU  19   7.678   1.852 -16.185
  153   2HG   GLU  19          1HG       GLU  19   7.109   1.169 -14.661
  154    H    LYS  20           H        LYS  20  10.414   2.297 -12.348
  155    HA   LYS  20           HA       LYS  20  10.253  -0.580 -12.372
  156   1HB   LYS  20          2HB       LYS  20  12.312   1.338 -11.259
  157   2HB   LYS  20          1HB       LYS  20  12.521  -0.414 -11.260
  158   1HG   LYS  20          2HG       LYS  20  12.204  -0.424 -13.727
  159   2HG   LYS  20          1HG       LYS  20  12.089   1.335 -13.698
  160   1HD   LYS  20          2HD       LYS  20  14.341   1.197 -14.083
  161   2HD   LYS  20          1HD       LYS  20  14.401   1.012 -12.329
  162   1HE   LYS  20          2HE       LYS  20  14.155  -1.506 -12.741
  163   2HE   LYS  20          1HE       LYS  20  14.505  -1.155 -14.432
  164   1HZ   LYS  20          3HZ       LYS  20  16.254  -0.222 -12.238
  165   2HZ   LYS  20          2HZ       LYS  20  16.458  -1.741 -12.970
  166   3HZ   LYS  20          1HZ       LYS  20  16.609  -0.323 -13.893
  167    H    PHE  21           H        PHE  21   9.355   1.750  -9.990
  168    HA   PHE  21           HA       PHE  21   9.584  -0.261  -7.808
  169   1HB   PHE  21          2HB       PHE  21   8.739   2.640  -7.579
  170   2HB   PHE  21          1HB       PHE  21   9.231   1.565  -6.273
  171    HD1  PHE  21           HD1      PHE  21  11.621   0.252  -7.249
  172    HD2  PHE  21           HD2      PHE  21  10.349   4.316  -7.813
  173    HE1  PHE  21           HE1      PHE  21  13.979   0.945  -7.583
  174    HE2  PHE  21           HE2      PHE  21  12.707   5.008  -8.147
  175    HZ   PHE  21           HZ       PHE  21  14.522   3.322  -8.034
  176    H    ILE  22           H        ILE  22   7.255   1.273  -9.880
  177    HA   ILE  22           HA       ILE  22   5.137  -0.426  -8.799
  178    HB   ILE  22           HB       ILE  22   5.042   1.510  -7.269
  179   1HG1  ILE  22          2HG1      ILE  22   2.750   1.671  -9.239
  180   2HG1  ILE  22          1HG1      ILE  22   2.955   0.324  -8.119
  181   1HG2  ILE  22          3HG2      ILE  22   6.042   3.170  -8.820
  182   2HG2  ILE  22          2HG2      ILE  22   4.566   3.140  -9.783
  183   3HG2  ILE  22          1HG2      ILE  22   4.526   3.748  -8.129
  184   1HD1  ILE  22          3HD1      ILE  22   2.816   3.225  -7.254
  185   2HD1  ILE  22          2HD1      ILE  22   1.430   2.134  -7.259
  186   3HD1  ILE  22          1HD1      ILE  22   2.809   1.803  -6.210
  187    H    HIS  23           H        HIS  23   3.685  -0.913 -10.418
  188    HA   HIS  23           HA       HIS  23   3.299   0.876 -12.707
  189   1HB   HIS  23          2HB       HIS  23   4.057  -0.819 -14.374
  190   2HB   HIS  23          1HB       HIS  23   5.380  -0.223 -13.371
  191    HD1  HIS  23           HD1      HIS  23   3.768  -3.297 -14.443
  192    HD2  HIS  23           HD2      HIS  23   5.949  -2.104 -11.096
  193    HE1  HIS  23           HE1      HIS  23   4.520  -5.419 -13.285
  194    H    TRP  24           H        TRP  24   1.765  -0.251 -14.334
  195    HA   TRP  24           HA       TRP  24  -0.351  -1.589 -12.770
  196   1HB   TRP  24          2HB       TRP  24  -0.420  -0.894 -15.717
  197   2HB   TRP  24          1HB       TRP  24  -1.787  -1.168 -14.645
  198    HD1  TRP  24           HD1      TRP  24  -0.109   0.759 -12.343
  199    HE1  TRP  24           HE1      TRP  24  -0.472   3.299 -12.593
  200    HE3  TRP  24           HE3      TRP  24  -1.839   0.943 -17.147
  201    HZ2  TRP  24           HZ2      TRP  24  -1.377   5.158 -14.559
  202    HZ3  TRP  24           HZ3      TRP  24  -2.444   3.112 -18.181
  203    HH2  TRP  24           HH2      TRP  24  -2.215   5.219 -16.895
  204    H    SER  25           H        SER  25  -1.033  -3.714 -13.135
  205    HA   SER  25           HA       SER  25   0.883  -5.592 -14.134
  206   1HB   SER  25          2HB       SER  25  -0.766  -7.264 -13.691
  207   2HB   SER  25          1HB       SER  25  -0.997  -6.027 -12.460
  208    HG   SER  25           HG       SER  25  -2.607  -5.133 -13.943
  209    H    THR  26           H        THR  26   0.580  -7.050 -15.995
  210    HA   THR  26           HA       THR  26  -0.053  -5.600 -18.413
  211    HB   THR  26           HB       THR  26   0.218  -8.600 -18.254
  212    HG1  THR  26           HG1      THR  26   1.942  -8.004 -17.103
  213   1HG2  THR  26          2HG2      THR  26  -0.275  -7.273 -20.404
  214   2HG2  THR  26          1HG2      THR  26   1.374  -6.664 -20.262
  215   3HG2  THR  26          3HG2      THR  26   1.086  -8.394 -20.451
  216    H    SER  27           H        SER  27  -2.182  -5.074 -18.726
  217    HA   SER  27           HA       SER  27  -4.477  -5.353 -19.106
  218   1HB   SER  27          2HB       SER  27  -3.309  -8.027 -19.768
  219   2HB   SER  27          1HB       SER  27  -5.060  -7.891 -19.647
  220    HG   SER  27           HG       SER  27  -4.587  -7.366 -21.718
  221    H    GLY  28           H        GLY  28  -5.485  -4.937 -17.175
  222   1HA   GLY  28          2HA       GLY  28  -6.967  -6.692 -15.727
  223   2HA   GLY  28          1HA       GLY  28  -5.385  -6.890 -14.976
  224    H    GLU  29           H        GLU  29  -4.838  -3.930 -15.600
  225    HA   GLU  29           HA       GLU  29  -5.001  -1.906 -14.444
  226   1HB   GLU  29          2HB       GLU  29  -7.845  -2.881 -14.020
  227   2HB   GLU  29          1HB       GLU  29  -7.278  -1.253 -13.653
  228   1HG   GLU  29          2HG       GLU  29  -7.247  -0.633 -15.840
  229   2HG   GLU  29          1HG       GLU  29  -6.594  -2.184 -16.369
  230    H    SER  30           H        SER  30  -3.563  -3.450 -12.998
  231    HA   SER  30           HA       SER  30  -4.676  -3.281 -10.233
  232   1HB   SER  30          2HB       SER  30  -3.172  -5.574 -11.510
  233   2HB   SER  30          1HB       SER  30  -3.284  -5.379  -9.762
  234    HG   SER  30           HG       SER  30  -4.953  -6.692 -10.928
  235    H    ILE  31           H        ILE  31  -2.859  -3.242  -8.584
  236    HA   ILE  31           HA       ILE  31  -0.568  -1.687  -9.699
  237    HB   ILE  31           HB       ILE  31  -1.517  -1.820  -6.824
  238   1HG1  ILE  31          2HG1      ILE  31  -2.060   0.309  -8.920
  239   2HG1  ILE  31          1HG1      ILE  31  -3.241  -0.885  -8.380
  240   1HG2  ILE  31          2HG2      ILE  31   0.773  -0.635  -8.178
  241   2HG2  ILE  31          1HG2      ILE  31  -0.195   0.599  -7.374
  242   3HG2  ILE  31          3HG2      ILE  31   0.442  -0.761  -6.451
  243   1HD1  ILE  31          1HD1      ILE  31  -2.762  -0.021  -6.001
  244   2HD1  ILE  31          3HD1      ILE  31  -1.983   1.351  -6.789
  245   3HD1  ILE  31          2HD1      ILE  31  -3.696   1.033  -7.063
  246    H    VAL  32           H        VAL  32   0.974  -3.216 -10.161
  247    HA   VAL  32           HA       VAL  32   1.532  -5.386  -8.239
  248    HB   VAL  32           HB       VAL  32   2.921  -4.721 -10.853
  249   1HG1  VAL  32          2HG1      VAL  32   4.130  -6.204  -9.215
  250   2HG1  VAL  32          1HG1      VAL  32   2.770  -7.323  -9.307
  251   3HG1  VAL  32          3HG1      VAL  32   3.741  -6.994 -10.742
  252   1HG2  VAL  32          2HG2      VAL  32   0.381  -6.142 -10.203
  253   2HG2  VAL  32          1HG2      VAL  32   0.821  -5.233 -11.648
  254   3HG2  VAL  32          3HG2      VAL  32   1.420  -6.878 -11.425
  255    H    VAL  33           H        VAL  33   2.960  -5.072  -6.620
  256    HA   VAL  33           HA       VAL  33   5.013  -2.921  -6.932
  257    HB   VAL  33           HB       VAL  33   3.920  -4.204  -4.407
  258   1HG1  VAL  33          1HG1      VAL  33   6.332  -3.272  -4.414
  259   2HG1  VAL  33          3HG1      VAL  33   5.585  -1.688  -4.621
  260   3HG1  VAL  33          2HG1      VAL  33   5.235  -2.648  -3.184
  261   1HG2  VAL  33          2HG2      VAL  33   3.334  -1.615  -5.850
  262   2HG2  VAL  33          1HG2      VAL  33   2.193  -2.850  -5.318
  263   3HG2  VAL  33          3HG2      VAL  33   2.993  -1.818  -4.132
  264    HA   PRO  34           HA       PRO  34   7.451  -6.740  -7.032
  265   1HB   PRO  34          2HB       PRO  34   9.536  -5.737  -8.507
  266   2HB   PRO  34          1HB       PRO  34   8.077  -6.438  -9.230
  267   1HG   PRO  34          2HG       PRO  34   8.883  -3.581  -9.019
  268   2HG   PRO  34          1HG       PRO  34   7.837  -4.367 -10.212
  269   1HD   PRO  34          2HD       PRO  34   6.967  -2.815  -8.021
  270   2HD   PRO  34          1HD       PRO  34   5.953  -3.877  -9.016
  271    H    ASN  35           H        ASN  35   8.806  -3.445  -6.729
  272    HA   ASN  35           HA       ASN  35  10.607  -4.455  -4.571
  273   1HB   ASN  35          2HB       ASN  35  10.765  -2.124  -6.475
  274   2HB   ASN  35          1HB       ASN  35  11.686  -2.111  -4.972
  275   1HD2  ASN  35          2HD2      ASN  35  14.062  -3.646  -7.246
  276   2HD2  ASN  35          1HD2      ASN  35  13.490  -2.117  -6.783
  277    H    ARG  36           H        ARG  36   8.491  -4.390  -3.272
  278    HA   ARG  36           HA       ARG  36   7.222  -1.921  -2.595
  279   1HB   ARG  36          2HB       ARG  36   6.506  -4.372  -2.076
  280   2HB   ARG  36          1HB       ARG  36   7.525  -4.201  -0.646
  281   1HG   ARG  36          2HG       ARG  36   5.603  -1.994  -1.211
  282   2HG   ARG  36          1HG       ARG  36   4.932  -3.517  -0.626
  283   1HD   ARG  36          2HD       ARG  36   7.337  -2.491   0.793
  284   2HD   ARG  36          1HD       ARG  36   5.835  -1.606   1.044
  285    HE   ARG  36           HE       ARG  36   4.938  -4.057   1.550
  286   1HH1  ARG  36          1HH2      ARG  36   7.948  -4.832   1.593
  287   2HH1  ARG  36          2HH2      ARG  36   8.232  -4.849   3.302
  288   1HH2  ARG  36          2HH1      ARG  36   5.319  -3.134   4.073
  289   2HH2  ARG  36          1HH1      ARG  36   6.745  -3.887   4.705
  290    H    GLU  37           H        GLU  37  10.192  -3.413  -1.495
  291    HA   GLU  37           HA       GLU  37  10.510  -1.901   0.928
  292   1HB   GLU  37          2HB       GLU  37  11.778  -3.984   0.366
  293   2HB   GLU  37          1HB       GLU  37  12.675  -3.069  -0.844
  294   1HG   GLU  37          2HG       GLU  37  13.945  -2.000   0.716
  295   2HG   GLU  37          1HG       GLU  37  12.597  -1.826   1.839
  296    H    ARG  38           H        ARG  38  12.425  -1.521  -2.078
  297    HA   ARG  38           HA       ARG  38  13.448   1.039  -1.457
  298   1HB   ARG  38          2HB       ARG  38  13.461  -0.742  -3.700
  299   2HB   ARG  38          1HB       ARG  38  13.068   0.868  -4.297
  300   1HG   ARG  38          2HG       ARG  38  15.341   1.118  -4.290
  301   2HG   ARG  38          1HG       ARG  38  15.078   1.489  -2.586
  302   1HD   ARG  38          2HD       ARG  38  16.446  -0.236  -2.094
  303   2HD   ARG  38          1HD       ARG  38  15.193  -1.317  -2.700
  304    HE   ARG  38           HE       ARG  38  16.566  -0.486  -4.977
  305   1HH1  ARG  38          2HH1      ARG  38  18.406  -0.783  -2.283
  306   2HH1  ARG  38          1HH1      ARG  38  19.267  -2.206  -2.766
  307   1HH2  ARG  38          1HH2      ARG  38  17.213  -2.848  -5.484
  308   2HH2  ARG  38          2HH2      ARG  38  18.593  -3.375  -4.579
  309    H    PHE  39           H        PHE  39  10.307   0.138  -2.696
  310    HA   PHE  39           HA       PHE  39   9.537   2.685  -3.770
  311   1HB   PHE  39          2HB       PHE  39   8.275   0.658  -4.300
  312   2HB   PHE  39          1HB       PHE  39   7.869   0.432  -2.601
  313    HD1  PHE  39           HD2      PHE  39   6.413   2.116  -1.433
  314    HD2  PHE  39           HD1      PHE  39   7.014   2.165  -5.691
  315    HE1  PHE  39           HE2      PHE  39   4.403   3.552  -1.705
  316    HE2  PHE  39           HE1      PHE  39   5.009   3.601  -5.958
  317    HZ   PHE  39           HZ       PHE  39   3.704   4.293  -3.966
  318    H    VAL  40           H        VAL  40   8.862   1.203  -0.572
  319    HA   VAL  40           HA       VAL  40   7.609   3.586   0.443
  320    HB   VAL  40           HB       VAL  40   8.848   1.274   1.966
  321   1HG1  VAL  40          1HG1      VAL  40   6.960   3.508   2.747
  322   2HG1  VAL  40          3HG1      VAL  40   7.096   2.018   3.682
  323   3HG1  VAL  40          2HG1      VAL  40   8.496   3.074   3.498
  324   1HG2  VAL  40          3HG2      VAL  40   6.888   0.983   0.186
  325   2HG2  VAL  40          2HG2      VAL  40   6.843   0.135   1.732
  326   3HG2  VAL  40          1HG2      VAL  40   5.909   1.615   1.509
  327    H    GLN  41           H        GLN  41  10.687   2.089   1.359
  328    HA   GLN  41           HA       GLN  41  11.734   4.154   2.921
  329   1HB   GLN  41          2HB       GLN  41  13.228   2.243   1.111
  330   2HB   GLN  41          1HB       GLN  41  13.960   3.188   2.407
  331   1HG   GLN  41          2HG       GLN  41  12.453   2.095   4.044
  332   2HG   GLN  41          1HG       GLN  41  11.758   1.127   2.743
  333   1HE2  GLN  41          2HE2      GLN  41  14.666  -0.662   4.480
  334   2HE2  GLN  41          1HE2      GLN  41  13.340   0.180   5.125
  335    H    GLU  42           H        GLU  42  11.517   4.140  -0.605
  336    HA   GLU  42           HA       GLU  42  13.128   6.671  -0.579
  337   1HB   GLU  42          2HB       GLU  42  12.955   4.684  -2.854
  338   2HB   GLU  42          1HB       GLU  42  13.968   6.125  -2.787
  339   1HG   GLU  42          2HG       GLU  42  14.388   4.428  -0.450
  340   2HG   GLU  42          1HG       GLU  42  14.684   3.548  -1.947
  341    H    VAL  43           H        VAL  43  10.642   4.951  -2.502
  342    HA   VAL  43           HA       VAL  43   9.861   7.416  -3.829
  343    HB   VAL  43           HB       VAL  43   8.372   4.778  -3.785
  344   1HG1  VAL  43          1HG1      VAL  43   8.279   7.266  -5.481
  345   2HG1  VAL  43          3HG1      VAL  43   7.758   5.711  -6.129
  346   3HG1  VAL  43          2HG1      VAL  43   6.943   6.398  -4.724
  347   1HG2  VAL  43          2HG2      VAL  43  10.839   4.707  -4.498
  348   2HG2  VAL  43          1HG2      VAL  43   9.668   4.122  -5.680
  349   3HG2  VAL  43          3HG2      VAL  43  10.365   5.734  -5.850
  350    H    LEU  44           H        LEU  44   9.137   6.322  -0.699
  351    HA   LEU  44           HA       LEU  44   6.365   7.345  -0.753
  352   1HB   LEU  44          2HB       LEU  44   7.008   5.379   0.660
  353   2HB   LEU  44          1HB       LEU  44   7.951   6.466   1.669
  354    HG   LEU  44           HG       LEU  44   5.775   7.857   1.845
  355   1HD1  LEU  44          2HD1      LEU  44   4.738   6.418  -0.033
  356   2HD1  LEU  44          1HD1      LEU  44   4.511   5.191   1.213
  357   3HD1  LEU  44          3HD1      LEU  44   3.728   6.762   1.372
  358   1HD2  LEU  44          3HD2      LEU  44   6.897   6.174   3.538
  359   2HD2  LEU  44          2HD2      LEU  44   5.261   6.757   3.841
  360   3HD2  LEU  44          1HD2      LEU  44   5.511   5.158   3.142
  361    HA   PRO  45           HA       PRO  45   8.268  10.660   2.060
  362   1HB   PRO  45          2HB       PRO  45  10.985  11.001   2.052
  363   2HB   PRO  45          1HB       PRO  45  10.126  10.023   3.255
  364   1HG   PRO  45          2HG       PRO  45  11.806   9.137   0.971
  365   2HG   PRO  45          1HG       PRO  45  11.435   8.299   2.487
  366   1HD   PRO  45          2HD       PRO  45  10.251   7.803  -0.037
  367   2HD   PRO  45          1HD       PRO  45   9.717   7.165   1.523
  368    H    LYS  46           H        LYS  46   9.395   9.813  -1.094
  369    HA   LYS  46           HA       LYS  46  10.401  12.412  -1.866
  370   1HB   LYS  46          2HB       LYS  46  10.453   9.875  -2.961
  371   2HB   LYS  46          1HB       LYS  46   9.344  10.730  -4.033
  372   1HG   LYS  46          2HG       LYS  46  11.311  11.343  -5.045
  373   2HG   LYS  46          1HG       LYS  46  11.252  12.615  -3.826
  374   1HD   LYS  46          2HD       LYS  46  12.439  10.260  -2.660
  375   2HD   LYS  46          1HD       LYS  46  13.260  10.624  -4.176
  376   1HE   LYS  46          2HE       LYS  46  12.689  12.911  -2.347
  377   2HE   LYS  46          1HE       LYS  46  13.967  11.794  -1.874
  378   1HZ   LYS  46          3HZ       LYS  46  14.929  12.095  -4.113
  379   2HZ   LYS  46          2HZ       LYS  46  13.764  13.291  -4.428
  380   3HZ   LYS  46          1HZ       LYS  46  14.911  13.522  -3.197
  381    H    TYR  47           H        TYR  47   7.235  11.418  -1.202
  382    HA   TYR  47           HA       TYR  47   6.188  13.673  -2.850
  383   1HB   TYR  47          2HB       TYR  47   5.036  10.887  -2.587
  384   2HB   TYR  47          1HB       TYR  47   4.096  12.259  -3.176
  385    HD1  TYR  47           HD2      TYR  47   7.183  10.262  -3.796
  386    HD2  TYR  47           HD1      TYR  47   4.339  13.053  -5.402
  387    HE1  TYR  47           HE2      TYR  47   8.182   9.984  -6.050
  388    HE2  TYR  47           HE1      TYR  47   5.338  12.774  -7.655
  389    HH   TYR  47           HH       TYR  47   7.877  12.002  -8.456
  390    H    PHE  48           H        PHE  48   5.469  11.436  -0.151
  391    HA   PHE  48           HA       PHE  48   3.558  13.354   1.001
  392   1HB   PHE  48          2HB       PHE  48   4.635  10.759   2.146
  393   2HB   PHE  48          1HB       PHE  48   3.243  11.664   2.744
  394    HD1  PHE  48           HD1      PHE  48   1.211  11.930   1.285
  395    HD2  PHE  48           HD2      PHE  48   4.454   9.308   0.259
  396    HE1  PHE  48           HE1      PHE  48  -0.251  10.759  -0.342
  397    HE2  PHE  48           HE2      PHE  48   2.994   8.137  -1.368
  398    HZ   PHE  48           HZ       PHE  48   0.643   8.862  -1.667
  399    H    LYS  49           H        LYS  49   3.871  13.859   3.435
  400    HA   LYS  49           HA       LYS  49   6.560  15.029   3.752
  401   1HB   LYS  49          2HB       LYS  49   4.074  15.218   5.481
  402   2HB   LYS  49          1HB       LYS  49   5.567  16.116   5.757
  403   1HG   LYS  49          2HG       LYS  49   4.338  17.668   4.538
  404   2HG   LYS  49          1HG       LYS  49   5.230  16.860   3.250
  405   1HD   LYS  49          2HD       LYS  49   3.352  15.950   2.360
  406   2HD   LYS  49          1HD       LYS  49   2.706  15.512   3.941
  407   1HE   LYS  49          2HE       LYS  49   2.728  18.365   2.939
  408   2HE   LYS  49          1HE       LYS  49   1.381  17.268   2.637
  409   1HZ   LYS  49          1HZ       LYS  49   1.251  16.909   5.062
  410   2HZ   LYS  49          3HZ       LYS  49   2.442  18.096   5.284
  411   3HZ   LYS  49          2HZ       LYS  49   0.939  18.517   4.612
  412    H    HIS  50           H        HIS  50   4.401  13.137   5.903
  413    HA   HIS  50           HA       HIS  50   6.743  11.514   6.728
  414   1HB   HIS  50          2HB       HIS  50   5.062  13.246   8.537
  415   2HB   HIS  50          1HB       HIS  50   5.880  11.812   9.157
  416    HD1  HIS  50           HD1      HIS  50   8.271  12.122   9.819
  417    HD2  HIS  50           HD2      HIS  50   7.004  15.093   7.184
  418    HE1  HIS  50           HE1      HIS  50  10.194  13.756   9.602
  419    H    SER  51           H        SER  51   4.665  10.695   5.079
  420    HA   SER  51           HA       SER  51   2.617   9.333   6.682
  421   1HB   SER  51          2HB       SER  51   2.693  10.204   4.085
  422   2HB   SER  51          1HB       SER  51   3.018   8.486   3.875
  423    HG   SER  51           HG       SER  51   0.857   9.654   5.308
  424    H    ASN  52           H        ASN  52   2.346   6.855   6.111
  425    HA   ASN  52           HA       ASN  52   4.972   5.491   5.907
  426   1HB   ASN  52          2HB       ASN  52   4.499   4.118   7.908
  427   2HB   ASN  52          1HB       ASN  52   4.630   5.828   8.317
  428   1HD2  ASN  52          2HD2      ASN  52   1.446   4.197   9.753
  429   2HD2  ASN  52          1HD2      ASN  52   3.036   3.608   9.708
  430    H    PHE  53           H        PHE  53   4.698   3.130   5.543
  431    HA   PHE  53           HA       PHE  53   2.918   2.484   3.495
  432   1HB   PHE  53          2HB       PHE  53   3.375   0.107   4.064
  433   2HB   PHE  53          1HB       PHE  53   4.842   1.083   4.048
  434    HD1  PHE  53           HD1      PHE  53   2.409  -0.694   6.167
  435    HD2  PHE  53           HD2      PHE  53   6.016   1.641   6.126
  436    HE1  PHE  53           HE1      PHE  53   2.854  -1.340   8.520
  437    HE2  PHE  53           HE2      PHE  53   6.461   0.994   8.478
  438    HZ   PHE  53           HZ       PHE  53   4.881  -0.496   9.675
  439    H    ALA  54           H        ALA  54   2.388   2.172   6.989
  440    HA   ALA  54           HA       ALA  54  -0.019   0.659   6.910
  441   1HB   ALA  54          3HB       ALA  54   1.520   1.606   8.910
  442   2HB   ALA  54          2HB       ALA  54   0.212   2.788   8.974
  443   3HB   ALA  54          1HB       ALA  54  -0.142   1.071   9.162
  444    H    SER  55           H        SER  55   0.458   4.199   6.859
  445    HA   SER  55           HA       SER  55  -2.353   4.825   6.777
  446   1HB   SER  55          2HB       SER  55   0.105   6.405   5.995
  447   2HB   SER  55          1HB       SER  55  -1.523   7.075   5.960
  448    HG   SER  55           HG       SER  55  -1.000   7.507   7.978
  449    H    PHE  56           H        PHE  56  -0.013   3.983   4.307
  450    HA   PHE  56           HA       PHE  56  -1.540   5.001   2.068
  451   1HB   PHE  56          2HB       PHE  56   0.994   4.253   2.261
  452   2HB   PHE  56          1HB       PHE  56   0.342   2.689   1.769
  453    HD1  PHE  56           HD2      PHE  56  -1.187   2.643  -0.316
  454    HD2  PHE  56           HD1      PHE  56   1.388   5.933   0.668
  455    HE1  PHE  56           HE2      PHE  56  -1.303   3.435  -2.664
  456    HE2  PHE  56           HE1      PHE  56   1.273   6.726  -1.677
  457    HZ   PHE  56           HZ       PHE  56  -0.071   5.478  -3.344
  458    H    VAL  57           H        VAL  57  -1.320   1.833   3.663
  459    HA   VAL  57           HA       VAL  57  -3.009   0.464   1.769
  460    HB   VAL  57           HB       VAL  57  -2.435  -0.214   4.672
  461   1HG1  VAL  57          1HG1      VAL  57  -3.708  -1.690   2.378
  462   2HG1  VAL  57          3HG1      VAL  57  -2.831  -2.583   3.621
  463   3HG1  VAL  57          2HG1      VAL  57  -4.226  -1.599   4.061
  464   1HG2  VAL  57          2HG2      VAL  57  -1.033  -0.939   2.082
  465   2HG2  VAL  57          1HG2      VAL  57  -0.359  -0.041   3.441
  466   3HG2  VAL  57          3HG2      VAL  57  -0.734  -1.753   3.618
  467    H    ARG  58           H        ARG  58  -3.640   2.172   4.828
  468    HA   ARG  58           HA       ARG  58  -6.426   1.416   4.962
  469   1HB   ARG  58          2HB       ARG  58  -4.850   2.442   6.802
  470   2HB   ARG  58          1HB       ARG  58  -5.406   3.980   6.142
  471   1HG   ARG  58          2HG       ARG  58  -7.068   3.624   7.707
  472   2HG   ARG  58          1HG       ARG  58  -7.783   2.782   6.332
  473   1HD   ARG  58          2HD       ARG  58  -5.930   1.220   8.067
  474   2HD   ARG  58          1HD       ARG  58  -7.517   1.610   8.728
  475    HE   ARG  58           HE       ARG  58  -7.958   0.609   6.129
  476   1HH1  ARG  58          1HH2      ARG  58  -5.630  -0.790   7.991
  477   2HH1  ARG  58          2HH2      ARG  58  -6.461  -2.282   8.279
  478   1HH2  ARG  58          2HH1      ARG  58  -9.474  -1.161   6.979
  479   2HH2  ARG  58          1HH1      ARG  58  -8.636  -2.492   7.707
  480    H    GLN  59           H        GLN  59  -4.679   4.029   3.367
  481    HA   GLN  59           HA       GLN  59  -7.016   5.636   2.792
  482   1HB   GLN  59          2HB       GLN  59  -4.214   5.537   1.678
  483   2HB   GLN  59          1HB       GLN  59  -5.440   6.588   0.974
  484   1HG   GLN  59          2HG       GLN  59  -4.639   6.597   3.898
  485   2HG   GLN  59          1HG       GLN  59  -4.071   7.757   2.698
  486   1HE2  GLN  59          2HE2      GLN  59  -7.573   8.994   2.284
  487   2HE2  GLN  59          1HE2      GLN  59  -6.415   8.301   1.256
  488    H    LEU  60           H        LEU  60  -5.314   3.042   1.068
  489    HA   LEU  60           HA       LEU  60  -6.816   3.333  -1.386
  490   1HB   LEU  60          2HB       LEU  60  -5.382   0.887  -0.315
  491   2HB   LEU  60          1HB       LEU  60  -5.874   1.157  -1.987
  492    HG   LEU  60           HG       LEU  60  -4.083   3.121  -0.571
  493   1HD1  LEU  60          1HD1      LEU  60  -3.420   0.433  -1.707
  494   2HD1  LEU  60          3HD1      LEU  60  -2.286   1.757  -1.978
  495   3HD1  LEU  60          2HD1      LEU  60  -2.703   1.276  -0.333
  496   1HD2  LEU  60          2HD2      LEU  60  -5.256   3.592  -2.798
  497   2HD2  LEU  60          1HD2      LEU  60  -3.503   3.784  -2.794
  498   3HD2  LEU  60          3HD2      LEU  60  -4.231   2.335  -3.490
  499    H    ASN  61           H        ASN  61  -7.116   1.097   1.383
  500    HA   ASN  61           HA       ASN  61  -9.432  -0.257   0.324
  501   1HB   ASN  61          2HB       ASN  61  -8.035  -0.147   2.970
  502   2HB   ASN  61          1HB       ASN  61  -9.652  -0.851   2.893
  503   1HD2  ASN  61          2HD2      ASN  61  -6.834  -2.664   0.501
  504   2HD2  ASN  61          1HD2      ASN  61  -6.885  -0.969   0.578
  505    H    MET  62           H        MET  62  -9.032   2.747   2.037
  506    HA   MET  62           HA       MET  62 -11.713   2.853   3.137
  507   1HB   MET  62          2HB       MET  62  -9.792   4.186   4.020
  508   2HB   MET  62          1HB       MET  62  -9.817   5.141   2.538
  509   1HG   MET  62          2HG       MET  62 -11.074   6.335   4.239
  510   2HG   MET  62          1HG       MET  62 -12.205   5.736   3.029
  511   1HE   MET  62          1HE       MET  62 -14.321   5.468   3.983
  512   2HE   MET  62          3HE       MET  62 -14.694   5.022   5.654
  513   3HE   MET  62          2HE       MET  62 -13.788   6.493   5.314
  514    H    TYR  63           H        TYR  63 -10.377   3.507  -0.012
  515    HA   TYR  63           HA       TYR  63 -12.831   5.013  -0.772
  516   1HB   TYR  63          2HB       TYR  63 -10.159   4.656  -2.149
  517   2HB   TYR  63          1HB       TYR  63 -11.535   5.483  -2.884
  518    HD1  TYR  63           HD2      TYR  63 -12.750   7.140  -1.028
  519    HD2  TYR  63           HD1      TYR  63  -8.588   6.093  -1.211
  520    HE1  TYR  63           HE2      TYR  63 -12.176   9.208   0.212
  521    HE2  TYR  63           HE1      TYR  63  -8.014   8.162   0.031
  522    HH   TYR  63           HH       TYR  63  -9.817   9.785   1.830
  523    H    GLY  64           H        GLY  64 -10.888   2.198  -1.770
  524   1HA   GLY  64          2HA       GLY  64 -12.862   0.390  -2.319
  525   2HA   GLY  64          1HA       GLY  64 -12.875   1.398  -3.767
  526    H    TRP  65           H        TRP  65 -10.694  -0.546  -1.731
  527    HA   TRP  65           HA       TRP  65  -9.392  -1.598  -4.155
  528   1HB   TRP  65          2HB       TRP  65  -7.984   0.143  -2.129
  529   2HB   TRP  65          1HB       TRP  65  -7.102  -1.066  -3.060
  530    HD1  TRP  65           HD1      TRP  65  -8.861   2.276  -3.384
  531    HE1  TRP  65           HE1      TRP  65  -8.401   3.248  -5.728
  532    HE3  TRP  65           HE3      TRP  65  -6.605  -1.745  -5.577
  533    HZ2  TRP  65           HZ2      TRP  65  -7.232   2.423  -8.207
  534    HZ3  TRP  65           HZ3      TRP  65  -5.829  -1.627  -7.926
  535    HH2  TRP  65           HH2      TRP  65  -6.139   0.451  -9.243
  536    H    HIS  66           H        HIS  66  -9.044  -3.748  -3.797
  537    HA   HIS  66           HA       HIS  66  -8.492  -4.655  -1.014
  538   1HB   HIS  66          2HB       HIS  66 -10.722  -5.586  -2.820
  539   2HB   HIS  66          1HB       HIS  66 -10.079  -6.626  -1.548
  540    HD1  HIS  66           HD1      HIS  66  -9.611  -4.570   0.677
  541    HD2  HIS  66           HD2      HIS  66 -13.071  -4.666  -1.645
  542    HE1  HIS  66           HE1      HIS  66 -11.408  -3.398   2.022
  543    H    LYS  67           H        LYS  67  -6.869  -6.137  -0.962
  544    HA   LYS  67           HA       LYS  67  -5.713  -7.060  -3.507
  545   1HB   LYS  67          2HB       LYS  67  -4.839  -7.575  -0.646
  546   2HB   LYS  67          1HB       LYS  67  -3.905  -7.954  -2.092
  547   1HG   LYS  67          2HG       LYS  67  -2.992  -5.895  -1.799
  548   2HG   LYS  67          1HG       LYS  67  -4.494  -5.303  -2.504
  549   1HD   LYS  67          2HD       LYS  67  -4.643  -4.109  -0.566
  550   2HD   LYS  67          1HD       LYS  67  -5.258  -5.625   0.093
  551   1HE   LYS  67          2HE       LYS  67  -3.313  -6.080   1.228
  552   2HE   LYS  67          1HE       LYS  67  -2.298  -5.303   0.013
  553   1HZ   LYS  67          1HZ       LYS  67  -3.358  -3.154   0.825
  554   2HZ   LYS  67          3HZ       LYS  67  -3.872  -4.044   2.175
  555   3HZ   LYS  67          2HZ       LYS  67  -2.212  -3.888   1.842
  556    H    VAL  68           H        VAL  68  -7.431  -8.482  -4.171
  557    HA   VAL  68           HA       VAL  68  -7.926 -10.852  -2.462
  558    HB   VAL  68           HB       VAL  68  -9.711  -9.366  -3.697
  559   1HG1  VAL  68          3HG1      VAL  68  -8.423  -9.941  -5.949
  560   2HG1  VAL  68          2HG1      VAL  68  -9.463 -11.364  -5.904
  561   3HG1  VAL  68          1HG1      VAL  68 -10.176  -9.752  -5.918
  562   1HG2  VAL  68          1HG2      VAL  68  -9.718 -11.912  -2.636
  563   2HG2  VAL  68          3HG2      VAL  68 -11.148 -11.010  -3.138
  564   3HG2  VAL  68          2HG2      VAL  68 -10.402 -12.166  -4.242
  565    H    GLN  69           H        GLN  69  -8.500 -12.677  -4.643
  566    HA   GLN  69           HA       GLN  69  -7.443 -14.187  -6.074
  567   1HB   GLN  69          2HB       GLN  69  -6.676 -11.874  -7.114
  568   2HB   GLN  69          1HB       GLN  69  -5.109 -12.349  -6.457
  569   1HG   GLN  69          2HG       GLN  69  -5.443 -14.593  -7.611
  570   2HG   GLN  69          1HG       GLN  69  -6.808 -13.859  -8.451
  571   1HE2  GLN  69          2HE2      GLN  69  -4.776 -12.084 -10.725
  572   2HE2  GLN  69          1HE2      GLN  69  -6.349 -12.490 -10.232
  573    H    ASP  70           H        ASP  70  -6.897 -15.759  -4.587
  574    HA   ASP  70           HA       ASP  70  -4.611 -15.471  -2.792
  575   1HB   ASP  70          2HB       ASP  70  -6.830 -16.977  -2.643
  576   2HB   ASP  70          1HB       ASP  70  -5.762 -18.157  -3.402
  577    H    VAL  71           H        VAL  71  -2.581 -15.547  -3.627
  578    HA   VAL  71           HA       VAL  71  -2.072 -17.168  -6.058
  579    HB   VAL  71           HB       VAL  71  -1.261 -14.829  -5.991
  580   1HG1  VAL  71          3HG1      VAL  71  -0.626 -15.370  -3.359
  581   2HG1  VAL  71          2HG1      VAL  71   0.955 -15.390  -4.137
  582   3HG1  VAL  71          1HG1      VAL  71  -0.072 -13.963  -4.265
  583   1HG2  VAL  71          2HG2      VAL  71   0.810 -17.037  -6.049
  584   2HG2  VAL  71          1HG2      VAL  71  -0.020 -16.296  -7.417
  585   3HG2  VAL  71          3HG2      VAL  71   1.179 -15.376  -6.510
  586    H    LYS  72           H        LYS  72  -1.310 -17.097  -2.628
  587    HA   LYS  72           HA       LYS  72   0.528 -19.417  -2.998
  588   1HB   LYS  72          2HB       LYS  72   0.169 -17.361  -0.836
  589   2HB   LYS  72          1HB       LYS  72   0.910 -18.916  -0.451
  590   1HG   LYS  72          2HG       LYS  72   2.273 -18.301  -2.714
  591   2HG   LYS  72          1HG       LYS  72   1.954 -16.678  -2.100
  592   1HD   LYS  72          2HD       LYS  72   2.963 -18.774  -0.208
  593   2HD   LYS  72          1HD       LYS  72   4.101 -17.991  -1.303
  594   1HE   LYS  72          2HE       LYS  72   3.541 -15.808  -0.445
  595   2HE   LYS  72          1HE       LYS  72   2.200 -16.466   0.493
  596   1HZ   LYS  72          3HZ       LYS  72   3.865 -17.821   1.709
  597   2HZ   LYS  72          2HZ       LYS  72   5.095 -16.973   0.901
  598   3HZ   LYS  72          1HZ       LYS  72   4.038 -16.152   1.948
  599    H    SER  73           H        SER  73  -0.636 -21.283  -2.972
  600    HA   SER  73           HA       SER  73  -3.051 -21.561  -1.325
  601   1HB   SER  73          2HB       SER  73  -3.286 -23.715  -2.362
  602   2HB   SER  73          1HB       SER  73  -2.737 -22.612  -3.621
  603    HG   SER  73           HG       SER  73  -1.548 -24.821  -2.624
  604    H    GLY  74           H        GLY  74   0.338 -22.469  -1.174
  605   1HA   GLY  74          2HA       GLY  74   0.083 -24.450   0.907
  606   2HA   GLY  74          1HA       GLY  74   1.569 -23.608   0.470
  607    H    SER  75           H        SER  75   2.129 -21.698   1.583
  608    HA   SER  75           HA       SER  75   2.215 -20.251   3.426
  609   1HB   SER  75          2HB       SER  75  -0.041 -19.607   2.340
  610   2HB   SER  75          1HB       SER  75  -0.784 -20.554   3.625
  611    HG   SER  75           HG       SER  75   0.686 -18.171   3.750
  612    H    MET  76           H        MET  76   3.263 -21.761   4.824
  613    HA   MET  76           HA       MET  76   1.747 -23.714   6.351
  614   1HB   MET  76          2HB       MET  76   4.573 -22.656   6.613
  615   2HB   MET  76          1HB       MET  76   3.910 -23.912   7.657
  616   1HG   MET  76          2HG       MET  76   3.573 -25.399   5.813
  617   2HG   MET  76          1HG       MET  76   3.885 -24.119   4.640
  618   1HE   MET  76          1HE       MET  76   5.062 -27.149   5.732
  619   2HE   MET  76          3HE       MET  76   6.723 -27.058   6.335
  620   3HE   MET  76          2HE       MET  76   5.385 -26.513   7.344
  621    H    LEU  77           H        LEU  77   3.849 -21.266   7.869
  622    HA   LEU  77           HA       LEU  77   1.796 -20.899   9.965
  623   1HB   LEU  77          2HB       LEU  77   4.710 -20.232   9.688
  624   2HB   LEU  77          1HB       LEU  77   3.736 -19.331  10.850
  625    HG   LEU  77           HG       LEU  77   2.925 -21.616  11.698
  626   1HD1  LEU  77          3HD1      LEU  77   3.738 -22.895   9.727
  627   2HD1  LEU  77          2HD1      LEU  77   5.397 -22.506  10.183
  628   3HD1  LEU  77          1HD1      LEU  77   4.403 -23.512  11.238
  629   1HD2  LEU  77          3HD2      LEU  77   5.703 -20.503  12.007
  630   2HD2  LEU  77          2HD2      LEU  77   4.368 -20.491  13.160
  631   3HD2  LEU  77          1HD2      LEU  77   5.256 -21.983  12.854
  632    H    SER  78           H        SER  78   3.932 -18.599   8.241
  633    HA   SER  78           HA       SER  78   1.701 -17.013   7.279
  634   1HB   SER  78          2HB       SER  78   1.556 -16.241   9.556
  635   2HB   SER  78          1HB       SER  78   3.301 -16.035   9.659
  636    HG   SER  78           HG       SER  78   1.966 -14.098   9.226
  637    H    ASN  79           H        ASN  79   4.826 -15.720   8.397
  638    HA   ASN  79           HA       ASN  79   6.623 -14.834   7.185
  639   1HB   ASN  79          2HB       ASN  79   6.290 -17.414   6.337
  640   2HB   ASN  79          1HB       ASN  79   6.145 -16.539   4.813
  641   1HD2  ASN  79          2HD2      ASN  79   9.699 -16.257   6.880
  642   2HD2  ASN  79          1HD2      ASN  79   8.263 -16.522   7.744
  643    H    ASN  80           H        ASN  80   6.041 -12.761   6.587
  644    HA   ASN  80           HA       ASN  80   4.011 -12.169   4.619
  645   1HB   ASN  80          2HB       ASN  80   4.811 -10.599   6.441
  646   2HB   ASN  80          1HB       ASN  80   6.279 -10.361   5.493
  647   1HD2  ASN  80          2HD2      ASN  80   4.750  -8.055   3.322
  648   2HD2  ASN  80          1HD2      ASN  80   6.184  -8.745   3.913
  649    H    ASP  81           H        ASP  81   4.373 -11.304   2.463
  650    HA   ASP  81           HA       ASP  81   6.926 -12.284   1.255
  651   1HB   ASP  81          2HB       ASP  81   4.423 -13.069   0.582
  652   2HB   ASP  81          1HB       ASP  81   4.600 -11.683  -0.495
  653    H    SER  82           H        SER  82   7.658 -11.003  -0.670
  654    HA   SER  82           HA       SER  82   7.359  -8.099  -0.103
  655   1HB   SER  82          2HB       SER  82   9.653  -9.063  -0.207
  656   2HB   SER  82          1HB       SER  82   9.356  -9.546  -1.875
  657    HG   SER  82           HG       SER  82  10.129  -7.606  -2.241
  658    H    ARG  83           H        ARG  83   5.221  -9.502  -1.440
  659    HA   ARG  83           HA       ARG  83   5.272  -8.046  -4.045
  660   1HB   ARG  83          2HB       ARG  83   5.630 -10.636  -4.176
  661   2HB   ARG  83          1HB       ARG  83   3.907 -10.718  -3.804
  662   1HG   ARG  83          2HG       ARG  83   3.298  -9.580  -5.773
  663   2HG   ARG  83          1HG       ARG  83   4.918  -8.923  -6.002
  664   1HD   ARG  83          2HD       ARG  83   5.015 -11.820  -5.964
  665   2HD   ARG  83          1HD       ARG  83   3.855 -11.259  -7.169
  666    HE   ARG  83           HE       ARG  83   6.587 -10.072  -7.136
  667   1HH1  ARG  83          1HH2      ARG  83   5.278 -12.852  -8.326
  668   2HH1  ARG  83          2HH2      ARG  83   5.494 -12.481 -10.003
  669   1HH2  ARG  83          2HH1      ARG  83   6.363  -9.172  -9.430
  670   2HH2  ARG  83          1HH1      ARG  83   6.108 -10.395 -10.629
  671    H    TRP  84           H        TRP  84   3.647  -6.583  -3.946
  672    HA   TRP  84           HA       TRP  84   1.176  -7.343  -2.443
  673   1HB   TRP  84          2HB       TRP  84   2.397  -4.600  -2.869
  674   2HB   TRP  84          1HB       TRP  84   0.865  -4.909  -2.048
  675    HD1  TRP  84           HD1      TRP  84   4.484  -6.267  -1.775
  676    HE1  TRP  84           HE1      TRP  84   5.064  -6.508   0.726
  677    HE3  TRP  84           HE3      TRP  84   0.085  -4.723   0.299
  678    HZ2  TRP  84           HZ2      TRP  84   3.820  -6.107   3.269
  679    HZ3  TRP  84           HZ3      TRP  84  -0.194  -4.666   2.759
  680    HH2  TRP  84           HH2      TRP  84   1.666  -5.354   4.247
  681    H    GLU  85           H        GLU  85  -0.524  -7.669  -3.773
  682    HA   GLU  85           HA       GLU  85  -0.580  -6.224  -6.393
  683   1HB   GLU  85          2HB       GLU  85  -1.811  -8.874  -5.572
  684   2HB   GLU  85          1HB       GLU  85  -2.080  -8.096  -7.132
  685   1HG   GLU  85          2HG       GLU  85  -0.044  -8.712  -7.924
  686   2HG   GLU  85          1HG       GLU  85   0.765  -8.318  -6.407
  687    H    PHE  86           H        PHE  86  -1.983  -4.533  -6.277
  688    HA   PHE  86           HA       PHE  86  -4.330  -4.721  -4.465
  689   1HB   PHE  86          2HB       PHE  86  -3.286  -2.346  -6.037
  690   2HB   PHE  86          1HB       PHE  86  -4.543  -2.308  -4.802
  691    HD1  PHE  86           HD2      PHE  86  -0.945  -3.072  -5.385
  692    HD2  PHE  86           HD1      PHE  86  -3.996  -2.197  -2.493
  693    HE1  PHE  86           HE2      PHE  86   0.791  -2.822  -3.633
  694    HE2  PHE  86           HE1      PHE  86  -2.261  -1.949  -0.738
  695    HZ   PHE  86           HZ       PHE  86   0.132  -2.262  -1.308
  696    H    GLU  87           H        GLU  87  -6.015  -5.731  -5.475
  697    HA   GLU  87           HA       GLU  87  -6.525  -5.178  -8.349
  698   1HB   GLU  87          2HB       GLU  87  -7.472  -7.271  -6.401
  699   2HB   GLU  87          1HB       GLU  87  -8.372  -6.971  -7.888
  700   1HG   GLU  87          2HG       GLU  87  -5.927  -7.122  -8.955
  701   2HG   GLU  87          1HG       GLU  87  -5.635  -8.109  -7.523
  702    H    ASN  88           H        ASN  88  -8.384  -4.122  -9.041
  703    HA   ASN  88           HA       ASN  88  -9.782  -2.503  -7.023
  704   1HB   ASN  88          2HB       ASN  88  -8.993  -1.906  -9.511
  705   2HB   ASN  88          1HB       ASN  88 -10.609  -2.503  -9.892
  706   1HD2  ASN  88          2HD2      ASN  88 -10.506   1.217  -8.834
  707   2HD2  ASN  88          1HD2      ASN  88  -9.397   0.352  -9.785
  708    H    GLU  89           H        GLU  89 -11.274  -3.759  -5.894
  709    HA   GLU  89           HA       GLU  89 -12.853  -5.826  -7.152
  710   1HB   GLU  89          2HB       GLU  89 -12.271  -5.275  -4.572
  711   2HB   GLU  89          1HB       GLU  89 -13.879  -4.564  -4.657
  712   1HG   GLU  89          2HG       GLU  89 -14.434  -6.744  -4.123
  713   2HG   GLU  89          1HG       GLU  89 -14.462  -6.840  -5.883
  714    H    ARG  90           H        ARG  90 -14.256  -2.949  -5.530
  715    HA   ARG  90           HA       ARG  90 -16.176  -1.732  -6.064
  716   1HB   ARG  90          2HB       ARG  90 -14.293  -1.617  -8.292
  717   2HB   ARG  90          1HB       ARG  90 -15.952  -1.331  -8.819
  718   1HG   ARG  90          2HG       ARG  90 -16.087   0.263  -6.764
  719   2HG   ARG  90          1HG       ARG  90 -14.325   0.216  -6.813
  720   1HD   ARG  90          2HD       ARG  90 -15.273   2.117  -8.127
  721   2HD   ARG  90          1HD       ARG  90 -14.326   1.007  -9.118
  722    HE   ARG  90           HE       ARG  90 -16.359   0.252 -10.153
  723   1HH1  ARG  90          2HH1      ARG  90 -16.636   3.315  -9.006
  724   2HH1  ARG  90          1HH1      ARG  90 -18.357   3.315  -8.811
  725   1HH2  ARG  90          1HH2      ARG  90 -18.678  -0.104  -9.298
  726   2HH2  ARG  90          2HH2      ARG  90 -19.515   1.378  -8.977
  727    H    HIS  91           H        HIS  91 -16.159  -3.204  -9.297
  728    HA   HIS  91           HA       HIS  91 -18.823  -4.366  -8.642
  729   1HB   HIS  91          2HB       HIS  91 -18.985  -4.521 -11.221
  730   2HB   HIS  91          1HB       HIS  91 -19.091  -2.924 -10.490
  731    HD1  HIS  91           HD1      HIS  91 -15.808  -4.771 -10.983
  732    HD2  HIS  91           HD2      HIS  91 -17.868  -1.527 -12.600
  733    HE1  HIS  91           HE1      HIS  91 -14.193  -3.602 -12.535
  734    H    ALA  92           HN       ALA  92 -17.191  -6.030  -7.565
  735    HA   ALA  92           HA       ALA  92 -15.832  -7.898  -9.288
  736   1HB   ALA  92          2HB       ALA  92 -16.545  -7.728  -6.422
  737   2HB   ALA  92          1HB       ALA  92 -16.398  -9.368  -7.052
  738   3HB   ALA  92          3HB       ALA  92 -15.040  -8.251  -7.178
   
  No H/Q in entry =         738
  Start of MODEL           8
 Raw file had  756 H/Q atoms
  Start of MODEL    8
    1   1H    ALA   1          1H        ALA   1 -17.149  12.362  -6.547
    2   2H    ALA   1          3H        ALA   1 -18.365  11.839  -5.486
    3   3H    ALA   1          2H        ALA   1 -17.937  13.482  -5.540
    4    HA   ALA   1           HA       ALA   1 -16.930  12.632  -3.605
    5   1HB   ALA   1          2HB       ALA   1 -16.350  10.329  -5.431
    6   2HB   ALA   1          1HB       ALA   1 -15.247  10.638  -4.090
    7   3HB   ALA   1          3HB       ALA   1 -16.952  10.318  -3.774
    8    H    ARG   2           H        ARG   2 -14.885  13.414  -2.999
    9    HA   ARG   2           HA       ARG   2 -13.011  14.123  -5.213
   10   1HB   ARG   2          2HB       ARG   2 -14.413  16.098  -4.533
   11   2HB   ARG   2          1HB       ARG   2 -13.735  15.956  -2.911
   12   1HG   ARG   2          2HG       ARG   2 -11.690  16.763  -3.545
   13   2HG   ARG   2          1HG       ARG   2 -11.768  15.998  -5.134
   14   1HD   ARG   2          2HD       ARG   2 -11.888  18.486  -5.266
   15   2HD   ARG   2          1HD       ARG   2 -13.327  17.704  -5.921
   16    HE   ARG   2           HE       ARG   2 -13.694  18.315  -3.127
   17   1HH1  ARG   2          2HH1      ARG   2 -15.941  18.765  -4.855
   18   2HH1  ARG   2          1HH1      ARG   2 -15.953  20.477  -5.114
   19   1HH2  ARG   2          1HH2      ARG   2 -12.674  20.924  -4.078
   20   2HH2  ARG   2          2HH2      ARG   2 -14.103  21.699  -4.675
   21    HA   PRO   3           HA       PRO   3 -10.703  12.424  -1.712
   22   1HB   PRO   3          2HB       PRO   3  -9.597  10.221  -2.908
   23   2HB   PRO   3          1HB       PRO   3 -11.183  10.213  -2.122
   24   1HG   PRO   3          2HG       PRO   3 -10.530  10.168  -5.018
   25   2HG   PRO   3          1HG       PRO   3 -11.980   9.585  -4.184
   26   1HD   PRO   3          2HD       PRO   3 -11.731  12.018  -5.623
   27   2HD   PRO   3          1HD       PRO   3 -13.081  11.544  -4.576
   28    H    ALA   4           H        ALA   4  -9.010  13.881  -1.612
   29    HA   ALA   4           HA       ALA   4  -7.280  14.580  -3.770
   30   1HB   ALA   4          2HB       ALA   4  -7.601  15.877  -1.625
   31   2HB   ALA   4          1HB       ALA   4  -6.601  14.669  -0.818
   32   3HB   ALA   4          3HB       ALA   4  -5.914  15.668  -2.099
   33    H    PHE   5           H        PHE   5  -7.188  11.958  -1.433
   34    HA   PHE   5           HA       PHE   5  -4.463  11.168  -1.735
   35   1HB   PHE   5          2HB       PHE   5  -5.928  10.260   0.029
   36   2HB   PHE   5          1HB       PHE   5  -6.904   9.445  -1.192
   37    HD1  PHE   5           HD2      PHE   5  -3.486   9.612   0.289
   38    HD2  PHE   5           HD1      PHE   5  -6.237   7.359  -2.120
   39    HE1  PHE   5           HE2      PHE   5  -1.933   7.675   0.326
   40    HE2  PHE   5           HE1      PHE   5  -4.685   5.426  -2.088
   41    HZ   PHE   5           HZ       PHE   5  -2.533   5.583  -0.865
   42    H    VAL   6           H        VAL   6  -7.390  10.109  -3.518
   43    HA   VAL   6           HA       VAL   6  -5.956   8.326  -5.258
   44    HB   VAL   6           HB       VAL   6  -8.563   9.736  -5.883
   45   1HG1  VAL   6          1HG1      VAL   6  -7.292   8.428  -7.675
   46   2HG1  VAL   6          3HG1      VAL   6  -7.592   6.989  -6.699
   47   3HG1  VAL   6          2HG1      VAL   6  -8.946   7.900  -7.367
   48   1HG2  VAL   6          2HG2      VAL   6  -8.148   8.254  -3.622
   49   2HG2  VAL   6          1HG2      VAL   6  -9.688   8.327  -4.473
   50   3HG2  VAL   6          3HG2      VAL   6  -8.582   6.987  -4.766
   51    H    ASN   7           H        ASN   7  -6.665  11.779  -5.382
   52    HA   ASN   7           HA       ASN   7  -5.978  12.227  -8.130
   53   1HB   ASN   7          2HB       ASN   7  -5.937  13.959  -5.659
   54   2HB   ASN   7          1HB       ASN   7  -5.330  14.571  -7.199
   55   1HD2  ASN   7          2HD2      ASN   7  -8.567  14.641  -8.738
   56   2HD2  ASN   7          1HD2      ASN   7  -6.908  14.516  -9.068
   57    H    LYS   8           H        LYS   8  -4.063  11.822  -5.221
   58    HA   LYS   8           HA       LYS   8  -1.551  12.524  -6.604
   59   1HB   LYS   8          2HB       LYS   8  -1.098  11.087  -4.108
   60   2HB   LYS   8          1HB       LYS   8  -0.629  12.722  -4.544
   61   1HG   LYS   8          2HG       LYS   8  -2.906  13.515  -3.914
   62   2HG   LYS   8          1HG       LYS   8  -3.318  11.873  -3.419
   63   1HD   LYS   8          2HD       LYS   8  -2.640  12.784  -1.392
   64   2HD   LYS   8          1HD       LYS   8  -1.132  12.071  -1.966
   65   1HE   LYS   8          2HE       LYS   8  -0.952  14.495  -3.145
   66   2HE   LYS   8          1HE       LYS   8  -1.905  14.933  -1.726
   67   1HZ   LYS   8          2HZ       LYS   8   0.547  13.293  -1.522
   68   2HZ   LYS   8          1HZ       LYS   8   0.601  14.991  -1.491
   69   3HZ   LYS   8          3HZ       LYS   8  -0.255  14.149  -0.293
   70    H    LEU   9           H        LEU   9  -3.474   9.713  -5.933
   71    HA   LEU   9           HA       LEU   9  -1.493   7.667  -6.200
   72   1HB   LEU   9          2HB       LEU   9  -3.784   7.304  -5.313
   73   2HB   LEU   9          1HB       LEU   9  -4.445   7.629  -6.913
   74    HG   LEU   9           HG       LEU   9  -2.872   5.710  -7.703
   75   1HD1  LEU   9          2HD1      LEU   9  -1.688   5.663  -5.456
   76   2HD1  LEU   9          1HD1      LEU   9  -3.157   4.957  -4.783
   77   3HD1  LEU   9          3HD1      LEU   9  -2.258   4.096  -6.032
   78   1HD2  LEU   9          2HD2      LEU   9  -5.325   5.250  -5.974
   79   2HD2  LEU   9          1HD2      LEU   9  -5.299   5.522  -7.715
   80   3HD2  LEU   9          3HD2      LEU   9  -4.628   4.034  -7.045
   81    H    TRP  10           H        TRP  10  -3.582   9.304  -8.561
   82    HA   TRP  10           HA       TRP  10  -2.395   7.783 -10.783
   83   1HB   TRP  10          2HB       TRP  10  -4.543   9.908 -10.619
   84   2HB   TRP  10          1HB       TRP  10  -3.972   9.242 -12.149
   85    HD1  TRP  10           HD1      TRP  10  -3.656   6.227 -11.415
   86    HE1  TRP  10           HE1      TRP  10  -5.723   4.774 -10.906
   87    HE3  TRP  10           HE3      TRP  10  -7.020   9.865 -10.178
   88    HZ2  TRP  10           HZ2      TRP  10  -8.440   5.105 -10.090
   89    HZ3  TRP  10           HZ3      TRP  10  -9.333   9.261  -9.534
   90    HH2  TRP  10           HH2      TRP  10 -10.051   6.893  -9.494
   91    H    SER  11           H        SER  11  -0.354   9.030  -9.675
   92    HA   SER  11           HA       SER  11   0.487  10.966 -11.701
   93   1HB   SER  11          2HB       SER  11   0.528  11.712  -8.760
   94   2HB   SER  11          1HB       SER  11   1.156  12.682 -10.089
   95    HG   SER  11           HG       SER  11  -0.958  13.313  -9.459
   96    H    MET  12           H        MET  12   1.266   9.468  -8.557
   97    HA   MET  12           HA       MET  12   4.077   9.169  -9.452
   98   1HB   MET  12          2HB       MET  12   4.095   7.948  -7.010
   99   2HB   MET  12          1HB       MET  12   4.444   9.649  -7.264
  100   1HG   MET  12          2HG       MET  12   2.873   9.573  -5.484
  101   2HG   MET  12          1HG       MET  12   1.944  10.071  -6.891
  102   1HE   MET  12          1HE       MET  12   2.901   7.906  -4.341
  103   2HE   MET  12          3HE       MET  12   1.297   7.310  -3.892
  104   3HE   MET  12          2HE       MET  12   2.433   6.252  -4.725
  105    H    VAL  13           H        VAL  13   1.156   7.285  -8.951
  106    HA   VAL  13           HA       VAL  13   2.439   4.689  -8.980
  107    HB   VAL  13           HB       VAL  13  -0.381   5.498  -9.791
  108   1HG1  VAL  13          1HG1      VAL  13   0.321   3.312 -10.761
  109   2HG1  VAL  13          3HG1      VAL  13   0.739   2.750  -9.142
  110   3HG1  VAL  13          2HG1      VAL  13  -0.938   3.121  -9.541
  111   1HG2  VAL  13          2HG2      VAL  13   0.822   4.445  -7.217
  112   2HG2  VAL  13          1HG2      VAL  13  -0.010   5.976  -7.460
  113   3HG2  VAL  13          3HG2      VAL  13  -0.912   4.466  -7.538
  114    H    ASN  14           H        ASN  14   0.618   6.398 -11.558
  115    HA   ASN  14           HA       ASN  14   1.946   4.715 -13.592
  116   1HB   ASN  14          2HB       ASN  14   0.427   5.935 -15.174
  117   2HB   ASN  14          1HB       ASN  14  -0.441   5.110 -13.880
  118   1HD2  ASN  14          2HD2      ASN  14  -2.077   8.147 -13.161
  119   2HD2  ASN  14          1HD2      ASN  14  -2.217   6.495 -13.526
  120    H    ASP  15           H        ASP  15   3.850   6.232 -12.358
  121    HA   ASP  15           HA       ASP  15   4.316   8.551 -14.178
  122   1HB   ASP  15          2HB       ASP  15   4.430   8.536 -11.471
  123   2HB   ASP  15          1HB       ASP  15   6.101   8.112 -11.843
  124    H    LYS  16           H        LYS  16   6.542   8.812 -14.987
  125    HA   LYS  16           HA       LYS  16   7.649   6.232 -15.847
  126   1HB   LYS  16          2HB       LYS  16   8.622   9.038 -16.451
  127   2HB   LYS  16          1HB       LYS  16   9.065   7.564 -17.311
  128   1HG   LYS  16          2HG       LYS  16   6.672   7.249 -17.937
  129   2HG   LYS  16          1HG       LYS  16   6.294   8.785 -17.157
  130   1HD   LYS  16          2HD       LYS  16   6.599   9.481 -19.356
  131   2HD   LYS  16          1HD       LYS  16   8.227   9.695 -18.712
  132   1HE   LYS  16          2HE       LYS  16   8.727   7.330 -19.501
  133   2HE   LYS  16          1HE       LYS  16   7.189   7.383 -20.363
  134   1HZ   LYS  16          3HZ       LYS  16   9.284   9.447 -20.703
  135   2HZ   LYS  16          2HZ       LYS  16   9.206   8.054 -21.671
  136   3HZ   LYS  16          1HZ       LYS  16   7.925   9.169 -21.679
  137    H    SER  17           H        SER  17   8.310   8.560 -13.362
  138    HA   SER  17           HA       SER  17  11.144   7.903 -13.110
  139   1HB   SER  17          2HB       SER  17   9.504   9.953 -12.174
  140   2HB   SER  17          1HB       SER  17   9.910   9.045 -10.721
  141    HG   SER  17           HG       SER  17  11.412  10.769 -11.963
  142    H    ASN  18           H        ASN  18   8.134   6.929 -11.501
  143    HA   ASN  18           HA       ASN  18   9.697   4.989  -9.856
  144   1HB   ASN  18          2HB       ASN  18   6.747   5.600  -9.568
  145   2HB   ASN  18          1HB       ASN  18   7.826   4.865  -8.384
  146   1HD2  ASN  18          2HD2      ASN  18   7.368   8.818  -8.312
  147   2HD2  ASN  18          1HD2      ASN  18   6.305   7.745  -9.087
  148    H    GLU  19           H        GLU  19   9.126   4.662 -12.740
  149    HA   GLU  19           HA       GLU  19   6.975   2.813 -13.145
  150   1HB   GLU  19          2HB       GLU  19   8.199   4.063 -14.953
  151   2HB   GLU  19          1HB       GLU  19   9.568   2.979 -14.705
  152   1HG   GLU  19          2HG       GLU  19   8.486   1.810 -16.372
  153   2HG   GLU  19          1HG       GLU  19   7.655   1.127 -14.973
  154    H    LYS  20           H        LYS  20  10.455   2.294 -12.519
  155    HA   LYS  20           HA       LYS  20  10.181  -0.600 -12.513
  156   1HB   LYS  20          2HB       LYS  20  12.294   1.122 -12.767
  157   2HB   LYS  20          1HB       LYS  20  12.500   0.569 -11.106
  158   1HG   LYS  20          2HG       LYS  20  11.875  -1.763 -12.526
  159   2HG   LYS  20          1HG       LYS  20  12.946  -0.873 -13.607
  160   1HD   LYS  20          2HD       LYS  20  13.606  -1.261 -10.684
  161   2HD   LYS  20          1HD       LYS  20  14.064  -2.447 -11.907
  162   1HE   LYS  20          2HE       LYS  20  14.822   0.490 -11.934
  163   2HE   LYS  20          1HE       LYS  20  15.897  -0.843 -11.510
  164   1HZ   LYS  20          1HZ       LYS  20  15.165  -1.739 -13.818
  165   2HZ   LYS  20          3HZ       LYS  20  14.779  -0.117 -14.129
  166   3HZ   LYS  20          2HZ       LYS  20  16.371  -0.547 -13.719
  167    H    PHE  21           H        PHE  21   9.216   1.708 -10.247
  168    HA   PHE  21           HA       PHE  21   9.700  -0.163  -7.973
  169   1HB   PHE  21          2HB       PHE  21   9.130   2.803  -8.081
  170   2HB   PHE  21          1HB       PHE  21   9.028   1.877  -6.584
  171    HD1  PHE  21           HD1      PHE  21  11.149   0.143  -6.351
  172    HD2  PHE  21           HD2      PHE  21  11.151   3.913  -8.412
  173    HE1  PHE  21           HE1      PHE  21  13.611   0.285  -6.089
  174    HE2  PHE  21           HE2      PHE  21  13.614   4.054  -8.149
  175    HZ   PHE  21           HZ       PHE  21  14.844   2.240  -6.987
  176    H    ILE  22           H        ILE  22   7.229   1.092 -10.038
  177    HA   ILE  22           HA       ILE  22   5.224  -0.602  -8.852
  178    HB   ILE  22           HB       ILE  22   5.230   1.200  -7.161
  179   1HG1  ILE  22          2HG1      ILE  22   2.747   1.473  -8.869
  180   2HG1  ILE  22          1HG1      ILE  22   3.100   0.011  -7.948
  181   1HG2  ILE  22          1HG2      ILE  22   5.998   2.958  -8.860
  182   2HG2  ILE  22          3HG2      ILE  22   4.307   3.067  -9.351
  183   3HG2  ILE  22          2HG2      ILE  22   4.773   3.472  -7.698
  184   1HD1  ILE  22          1HD1      ILE  22   3.511   1.957  -6.056
  185   2HD1  ILE  22          3HD1      ILE  22   2.194   2.652  -7.001
  186   3HD1  ILE  22          2HD1      ILE  22   2.004   1.064  -6.258
  187    H    HIS  23           H        HIS  23   3.642  -0.986 -10.378
  188    HA   HIS  23           HA       HIS  23   2.923   0.954 -12.417
  189   1HB   HIS  23          2HB       HIS  23   3.747  -0.420 -14.341
  190   2HB   HIS  23          1HB       HIS  23   5.052   0.271 -13.378
  191    HD1  HIS  23           HD1      HIS  23   3.744  -2.913 -14.614
  192    HD2  HIS  23           HD2      HIS  23   6.201  -1.700 -11.472
  193    HE1  HIS  23           HE1      HIS  23   4.939  -4.992 -13.797
  194    H    TRP  24           H        TRP  24   1.274   0.047 -13.903
  195    HA   TRP  24           HA       TRP  24  -0.424  -1.890 -12.489
  196   1HB   TRP  24          2HB       TRP  24  -0.845  -0.422 -15.111
  197   2HB   TRP  24          1HB       TRP  24  -2.067  -1.366 -14.260
  198    HD1  TRP  24           HD1      TRP  24   0.119   1.771 -13.783
  199    HE1  TRP  24           HE1      TRP  24  -1.091   3.357 -12.151
  200    HE3  TRP  24           HE3      TRP  24  -3.859  -1.159 -12.485
  201    HZ2  TRP  24           HZ2      TRP  24  -3.433   3.382 -10.509
  202    HZ3  TRP  24           HZ3      TRP  24  -5.562  -0.330 -10.887
  203    HH2  TRP  24           HH2      TRP  24  -5.355   1.935  -9.898
  204    H    SER  25           H        SER  25  -0.773  -3.998 -13.125
  205    HA   SER  25           HA       SER  25   1.110  -5.317 -14.830
  206   1HB   SER  25          2HB       SER  25  -0.047  -6.570 -13.104
  207   2HB   SER  25          1HB       SER  25  -1.614  -6.181 -13.811
  208    HG   SER  25           HG       SER  25   0.034  -8.195 -14.390
  209    H    THR  26           H        THR  26  -2.420  -5.105 -15.368
  210    HA   THR  26           HA       THR  26  -1.871  -5.045 -18.303
  211    HB   THR  26           HB       THR  26  -4.578  -5.530 -17.063
  212    HG1  THR  26           HG1      THR  26  -3.979  -7.431 -16.431
  213   1HG2  THR  26          3HG2      THR  26  -3.263  -5.827 -19.699
  214   2HG2  THR  26          2HG2      THR  26  -4.319  -7.159 -19.228
  215   3HG2  THR  26          1HG2      THR  26  -4.956  -5.516 -19.311
  216    H    SER  27           H        SER  27  -3.622  -3.706 -19.533
  217    HA   SER  27           HA       SER  27  -3.420  -0.980 -18.750
  218   1HB   SER  27          2HB       SER  27  -4.482  -2.434 -20.958
  219   2HB   SER  27          1HB       SER  27  -5.749  -1.345 -20.403
  220    HG   SER  27           HG       SER  27  -3.367  -0.806 -21.632
  221    H    GLY  28           H        GLY  28  -4.159  -0.681 -16.617
  222   1HA   GLY  28          2HA       GLY  28  -5.748  -0.201 -14.958
  223   2HA   GLY  28          1HA       GLY  28  -6.928  -0.073 -16.264
  224    H    GLU  29           H        GLU  29  -5.658  -2.114 -13.765
  225    HA   GLU  29           HA       GLU  29  -7.987  -3.827 -13.841
  226   1HB   GLU  29          2HB       GLU  29  -6.366  -4.647 -15.737
  227   2HB   GLU  29          1HB       GLU  29  -5.435  -5.315 -14.396
  228   1HG   GLU  29          2HG       GLU  29  -7.401  -6.553 -13.612
  229   2HG   GLU  29          1HG       GLU  29  -8.376  -5.853 -14.906
  230    H    SER  30           H        SER  30  -4.551  -4.279 -12.946
  231    HA   SER  30           HA       SER  30  -5.254  -4.059 -10.089
  232   1HB   SER  30          2HB       SER  30  -4.384  -6.251  -9.508
  233   2HB   SER  30          1HB       SER  30  -5.648  -6.461 -10.717
  234    HG   SER  30           HG       SER  30  -2.862  -6.704 -10.949
  235    H    ILE  31           H        ILE  31  -3.543  -3.210  -8.958
  236    HA   ILE  31           HA       ILE  31  -1.127  -2.520 -10.483
  237    HB   ILE  31           HB       ILE  31  -1.809  -1.941  -7.586
  238   1HG1  ILE  31          2HG1      ILE  31  -2.046  -0.015  -9.896
  239   2HG1  ILE  31          1HG1      ILE  31  -3.386  -1.082  -9.473
  240   1HG2  ILE  31          3HG2      ILE  31   0.210  -0.733  -9.507
  241   2HG2  ILE  31          2HG2      ILE  31  -0.138  -0.115  -7.892
  242   3HG2  ILE  31          1HG2      ILE  31   0.579  -1.714  -8.087
  243   1HD1  ILE  31          1HD1      ILE  31  -2.102   0.426  -7.246
  244   2HD1  ILE  31          3HD1      ILE  31  -3.102   1.348  -8.370
  245   3HD1  ILE  31          2HD1      ILE  31  -3.795  -0.008  -7.479
  246    H    VAL  32           H        VAL  32   1.019  -3.089  -9.790
  247    HA   VAL  32           HA       VAL  32   1.129  -5.520  -8.048
  248    HB   VAL  32           HB       VAL  32   2.832  -4.974 -10.500
  249   1HG1  VAL  32          1HG1      VAL  32   2.683  -7.177  -8.455
  250   2HG1  VAL  32          3HG1      VAL  32   3.225  -7.531 -10.096
  251   3HG1  VAL  32          2HG1      VAL  32   4.105  -6.365  -9.108
  252   1HG2  VAL  32          1HG2      VAL  32   0.509  -6.887 -10.096
  253   2HG2  VAL  32          3HG2      VAL  32   0.493  -5.449 -11.117
  254   3HG2  VAL  32          2HG2      VAL  32   1.531  -6.814 -11.531
  255    H    VAL  33           H        VAL  33   2.937  -5.644  -6.662
  256    HA   VAL  33           HA       VAL  33   4.635  -3.181  -6.561
  257    HB   VAL  33           HB       VAL  33   3.793  -4.896  -4.209
  258   1HG1  VAL  33          1HG1      VAL  33   5.119  -2.175  -4.393
  259   2HG1  VAL  33          3HG1      VAL  33   4.645  -2.980  -2.896
  260   3HG1  VAL  33          2HG1      VAL  33   5.908  -3.676  -3.911
  261   1HG2  VAL  33          3HG2      VAL  33   2.147  -3.166  -5.645
  262   2HG2  VAL  33          2HG2      VAL  33   1.904  -3.663  -3.971
  263   3HG2  VAL  33          1HG2      VAL  33   2.746  -2.156  -4.330
  264    HA   PRO  34           HA       PRO  34   7.270  -6.902  -7.185
  265   1HB   PRO  34          2HB       PRO  34   9.180  -5.647  -8.702
  266   2HB   PRO  34          1HB       PRO  34   7.742  -6.422  -9.386
  267   1HG   PRO  34          2HG       PRO  34   8.329  -3.525  -9.044
  268   2HG   PRO  34          1HG       PRO  34   7.280  -4.327 -10.225
  269   1HD   PRO  34          2HD       PRO  34   6.419  -2.979  -7.899
  270   2HD   PRO  34          1HD       PRO  34   5.437  -4.062  -8.902
  271    H    ASN  35           H        ASN  35   7.876  -3.594  -6.206
  272    HA   ASN  35           HA       ASN  35   9.931  -4.585  -4.295
  273   1HB   ASN  35          2HB       ASN  35  10.180  -2.166  -6.106
  274   2HB   ASN  35          1HB       ASN  35  11.231  -2.464  -4.721
  275   1HD2  ASN  35          2HD2      ASN  35  12.139  -4.230  -8.166
  276   2HD2  ASN  35          1HD2      ASN  35  11.119  -2.881  -8.020
  277    H    ARG  36           H        ARG  36   8.117  -4.436  -2.789
  278    HA   ARG  36           HA       ARG  36   6.774  -1.904  -2.318
  279   1HB   ARG  36          2HB       ARG  36   6.018  -4.340  -1.721
  280   2HB   ARG  36          1HB       ARG  36   6.979  -4.094  -0.265
  281   1HG   ARG  36          2HG       ARG  36   5.384  -1.745  -0.672
  282   2HG   ARG  36          1HG       ARG  36   4.330  -3.151  -0.817
  283   1HD   ARG  36          2HD       ARG  36   5.825  -3.848   1.365
  284   2HD   ARG  36          1HD       ARG  36   5.746  -2.097   1.553
  285    HE   ARG  36           HE       ARG  36   3.135  -3.159   0.954
  286   1HH1  ARG  36          1HH2      ARG  36   5.028  -4.418   3.319
  287   2HH1  ARG  36          2HH2      ARG  36   4.124  -3.809   4.665
  288   1HH2  ARG  36          2HH1      ARG  36   2.167  -1.696   2.735
  289   2HH2  ARG  36          1HH1      ARG  36   2.504  -2.269   4.334
  290    H    GLU  37           H        GLU  37   9.543  -3.588  -0.893
  291    HA   GLU  37           HA       GLU  37   9.904  -1.767   1.313
  292   1HB   GLU  37          2HB       GLU  37  10.890  -4.072   1.165
  293   2HB   GLU  37          1HB       GLU  37  12.008  -3.466  -0.057
  294   1HG   GLU  37          2HG       GLU  37  13.285  -3.195   1.867
  295   2HG   GLU  37          1HG       GLU  37  12.503  -1.616   1.767
  296    H    ARG  38           H        ARG  38  11.662  -2.064  -1.802
  297    HA   ARG  38           HA       ARG  38  13.219   0.311  -1.443
  298   1HB   ARG  38          2HB       ARG  38  12.719  -1.637  -3.553
  299   2HB   ARG  38          1HB       ARG  38  12.862  -0.008  -4.212
  300   1HG   ARG  38          2HG       ARG  38  15.079  -0.952  -4.150
  301   2HG   ARG  38          1HG       ARG  38  14.987   0.251  -2.864
  302   1HD   ARG  38          2HD       ARG  38  14.886  -1.369  -1.176
  303   2HD   ARG  38          1HD       ARG  38  14.314  -2.620  -2.278
  304    HE   ARG  38           HE       ARG  38  17.131  -1.649  -2.124
  305   1HH1  ARG  38          1HH1      ARG  38  16.102  -4.677  -4.374
  306   2HH1  ARG  38          2HH1      ARG  38  15.191  -3.206  -4.319
  307   1HH2  ARG  38          1HH2      ARG  38  18.119  -3.839  -1.682
  308   2HH2  ARG  38          2HH2      ARG  38  17.761  -5.037  -2.881
  309    H    PHE  39           H        PHE  39   9.972  -0.228  -2.658
  310    HA   PHE  39           HA       PHE  39   9.567   2.272  -3.968
  311   1HB   PHE  39          2HB       PHE  39   7.979   0.493  -4.302
  312   2HB   PHE  39          1HB       PHE  39   7.652   0.377  -2.577
  313    HD1  PHE  39           HD1      PHE  39   7.224   2.538  -5.583
  314    HD2  PHE  39           HD2      PHE  39   6.095   1.829  -1.501
  315    HE1  PHE  39           HE1      PHE  39   5.396   4.200  -5.801
  316    HE2  PHE  39           HE2      PHE  39   4.265   3.491  -1.718
  317    HZ   PHE  39           HZ       PHE  39   3.917   4.677  -3.868
  318    H    VAL  40           H        VAL  40   8.205   1.397  -0.764
  319    HA   VAL  40           HA       VAL  40   7.578   4.014   0.039
  320    HB   VAL  40           HB       VAL  40   8.490   1.758   1.854
  321   1HG1  VAL  40          2HG1      VAL  40   6.782   4.225   2.306
  322   2HG1  VAL  40          1HG1      VAL  40   6.910   2.895   3.457
  323   3HG1  VAL  40          3HG1      VAL  40   8.334   3.857   3.059
  324   1HG2  VAL  40          3HG2      VAL  40   5.841   2.394   0.543
  325   2HG2  VAL  40          2HG2      VAL  40   6.730   0.871   0.520
  326   3HG2  VAL  40          1HG2      VAL  40   5.945   1.411   2.004
  327    H    GLN  41           H        GLN  41  10.525   2.187   0.888
  328    HA   GLN  41           HA       GLN  41  11.845   4.169   2.358
  329   1HB   GLN  41          2HB       GLN  41  13.002   2.067   0.528
  330   2HB   GLN  41          1HB       GLN  41  13.959   3.036   1.650
  331   1HG   GLN  41          2HG       GLN  41  11.627   1.262   2.431
  332   2HG   GLN  41          1HG       GLN  41  13.326   0.858   2.636
  333   1HE2  GLN  41          2HE2      GLN  41  11.612   2.796   5.597
  334   2HE2  GLN  41          1HE2      GLN  41  10.835   1.779   4.481
  335    H    GLU  42           H        GLU  42  11.451   4.032  -1.147
  336    HA   GLU  42           HA       GLU  42  13.034   6.567  -1.290
  337   1HB   GLU  42          2HB       GLU  42  13.068   4.310  -3.310
  338   2HB   GLU  42          1HB       GLU  42  13.915   5.847  -3.478
  339   1HG   GLU  42          2HG       GLU  42  14.587   4.745  -0.916
  340   2HG   GLU  42          1HG       GLU  42  14.793   3.479  -2.125
  341    H    VAL  43           H        VAL  43  10.025   6.027  -1.249
  342    HA   VAL  43           HA       VAL  43   9.437   7.777  -3.551
  343    HB   VAL  43           HB       VAL  43   7.986   5.121  -3.273
  344   1HG1  VAL  43          2HG1      VAL  43   7.785   7.459  -5.186
  345   2HG1  VAL  43          1HG1      VAL  43   7.141   5.862  -5.572
  346   3HG1  VAL  43          3HG1      VAL  43   6.506   6.758  -4.193
  347   1HG2  VAL  43          2HG2      VAL  43  10.085   6.078  -5.246
  348   2HG2  VAL  43          1HG2      VAL  43  10.226   4.722  -4.127
  349   3HG2  VAL  43          3HG2      VAL  43   9.097   4.635  -5.479
  350    H    LEU  44           H        LEU  44   8.133   6.034  -0.704
  351    HA   LEU  44           HA       LEU  44   5.675   7.499  -0.593
  352   1HB   LEU  44          2HB       LEU  44   6.352   5.373   0.720
  353   2HB   LEU  44          1HB       LEU  44   7.078   6.484   1.877
  354    HG   LEU  44           HG       LEU  44   4.891   7.664   2.065
  355   1HD1  LEU  44          3HD1      LEU  44   4.239   5.730  -0.085
  356   2HD1  LEU  44          2HD1      LEU  44   3.004   5.915   1.160
  357   3HD1  LEU  44          1HD1      LEU  44   3.551   7.321   0.247
  358   1HD2  LEU  44          1HD2      LEU  44   5.669   5.591   3.462
  359   2HD2  LEU  44          3HD2      LEU  44   3.989   6.114   3.579
  360   3HD2  LEU  44          2HD2      LEU  44   4.414   4.733   2.568
  361    HA   PRO  45           HA       PRO  45   7.829  10.565   2.234
  362   1HB   PRO  45          2HB       PRO  45  10.564  10.647   2.403
  363   2HB   PRO  45          1HB       PRO  45   9.541   9.713   3.510
  364   1HG   PRO  45          2HG       PRO  45  11.249   8.752   1.267
  365   2HG   PRO  45          1HG       PRO  45  10.755   7.910   2.746
  366   1HD   PRO  45          2HD       PRO  45   9.631   7.530   0.190
  367   2HD   PRO  45          1HD       PRO  45   8.934   6.994   1.728
  368    H    LYS  46           H        LYS  46   9.155   9.716  -0.853
  369    HA   LYS  46           HA       LYS  46  10.400  12.235  -1.486
  370   1HB   LYS  46          2HB       LYS  46   9.540   9.803  -2.994
  371   2HB   LYS  46          1HB       LYS  46   9.857  11.272  -3.916
  372   1HG   LYS  46          2HG       LYS  46  12.072  11.443  -2.701
  373   2HG   LYS  46          1HG       LYS  46  11.757   9.838  -2.044
  374   1HD   LYS  46          2HD       LYS  46  11.481   9.019  -4.423
  375   2HD   LYS  46          1HD       LYS  46  12.059  10.595  -4.960
  376   1HE   LYS  46          2HE       LYS  46  13.883   9.676  -2.972
  377   2HE   LYS  46          1HE       LYS  46  13.601   8.336  -4.083
  378   1HZ   LYS  46          3HZ       LYS  46  14.090  11.039  -5.136
  379   2HZ   LYS  46          2HZ       LYS  46  15.399  10.080  -4.633
  380   3HZ   LYS  46          1HZ       LYS  46  14.370   9.536  -5.871
  381    H    TYR  47           H        TYR  47   7.087  11.128  -1.493
  382    HA   TYR  47           HA       TYR  47   6.278  13.672  -2.850
  383   1HB   TYR  47          2HB       TYR  47   4.924  10.969  -2.745
  384   2HB   TYR  47          1HB       TYR  47   4.109  12.430  -3.306
  385    HD1  TYR  47           HD2      TYR  47   7.106  10.280  -3.895
  386    HD2  TYR  47           HD1      TYR  47   4.431  13.231  -5.505
  387    HE1  TYR  47           HE2      TYR  47   8.144  10.003  -6.131
  388    HE2  TYR  47           HE1      TYR  47   5.469  12.954  -7.740
  389    HH   TYR  47           HH       TYR  47   8.395  11.211  -8.204
  390    H    PHE  48           H        PHE  48   6.036  11.777   0.052
  391    HA   PHE  48           HA       PHE  48   3.919  13.612   1.087
  392   1HB   PHE  48          2HB       PHE  48   4.761  10.851   2.020
  393   2HB   PHE  48          1HB       PHE  48   3.555  11.853   2.825
  394    HD1  PHE  48           HD2      PHE  48   4.380  10.352  -0.504
  395    HD2  PHE  48           HD1      PHE  48   1.310  11.785   2.135
  396    HE1  PHE  48           HE2      PHE  48   2.650   9.536  -2.079
  397    HE2  PHE  48           HE1      PHE  48  -0.423  10.968   0.557
  398    HZ   PHE  48           HZ       PHE  48   0.248   9.845  -1.549
  399    H    LYS  49           H        LYS  49   4.262  13.529   3.737
  400    HA   LYS  49           HA       LYS  49   7.128  14.229   4.223
  401   1HB   LYS  49          2HB       LYS  49   4.700  15.880   4.530
  402   2HB   LYS  49          1HB       LYS  49   5.769  15.890   5.931
  403   1HG   LYS  49          2HG       LYS  49   7.021  16.193   3.238
  404   2HG   LYS  49          1HG       LYS  49   6.139  17.573   3.893
  405   1HD   LYS  49          2HD       LYS  49   7.503  17.571   5.897
  406   2HD   LYS  49          1HD       LYS  49   8.299  16.076   5.403
  407   1HE   LYS  49          2HE       LYS  49   9.566  17.124   3.772
  408   2HE   LYS  49          1HE       LYS  49   8.383  18.410   3.531
  409   1HZ   LYS  49          2HZ       LYS  49   9.854  18.149   6.077
  410   2HZ   LYS  49          1HZ       LYS  49  10.538  18.968   4.757
  411   3HZ   LYS  49          3HZ       LYS  49   9.081  19.516   5.431
  412    H    HIS  50           H        HIS  50   4.026  13.694   5.954
  413    HA   HIS  50           HA       HIS  50   5.587  12.129   7.973
  414   1HB   HIS  50          2HB       HIS  50   3.112  13.842   8.338
  415   2HB   HIS  50          1HB       HIS  50   3.778  12.790   9.588
  416    HD1  HIS  50           HD1      HIS  50   6.093  13.452  10.610
  417    HD2  HIS  50           HD2      HIS  50   4.609  16.208   7.855
  418    HE1  HIS  50           HE1      HIS  50   7.495  15.546  10.865
  419    H    SER  51           H        SER  51   4.479  10.981   5.577
  420    HA   SER  51           HA       SER  51   2.216   9.376   6.698
  421   1HB   SER  51          2HB       SER  51   2.944  10.148   3.877
  422   2HB   SER  51          1HB       SER  51   1.906   8.763   4.198
  423    HG   SER  51           HG       SER  51   0.603  10.553   3.979
  424    H    ASN  52           H        ASN  52   2.558   7.208   6.981
  425    HA   ASN  52           HA       ASN  52   5.152   6.104   5.984
  426   1HB   ASN  52          2HB       ASN  52   3.873   6.054   8.574
  427   2HB   ASN  52          1HB       ASN  52   4.063   4.403   7.987
  428   1HD2  ASN  52          2HD2      ASN  52   7.333   6.524   9.128
  429   2HD2  ASN  52          1HD2      ASN  52   5.779   7.205   9.182
  430    H    PHE  53           H        PHE  53   4.990   3.599   5.726
  431    HA   PHE  53           HA       PHE  53   3.293   2.945   3.594
  432   1HB   PHE  53          2HB       PHE  53   3.852   0.590   4.081
  433   2HB   PHE  53          1HB       PHE  53   5.277   1.618   4.214
  434    HD1  PHE  53           HD1      PHE  53   6.221   2.187   6.430
  435    HD2  PHE  53           HD2      PHE  53   2.851  -0.448   6.032
  436    HE1  PHE  53           HE1      PHE  53   6.536   1.427   8.768
  437    HE2  PHE  53           HE2      PHE  53   3.167  -1.207   8.371
  438    HZ   PHE  53           HZ       PHE  53   5.011  -0.270   9.740
  439    H    ALA  54           H        ALA  54   2.712   2.523   7.064
  440    HA   ALA  54           HA       ALA  54   0.330   0.958   6.843
  441   1HB   ALA  54          1HB       ALA  54   1.859   1.728   8.924
  442   2HB   ALA  54          3HB       ALA  54   0.542   2.888   9.096
  443   3HB   ALA  54          2HB       ALA  54   0.202   1.158   9.123
  444    H    SER  55           H        SER  55   0.827   4.481   6.930
  445    HA   SER  55           HA       SER  55  -1.988   5.129   7.007
  446   1HB   SER  55          2HB       SER  55  -0.212   6.729   7.678
  447   2HB   SER  55          1HB       SER  55   0.336   6.802   6.005
  448    HG   SER  55           HG       SER  55  -1.063   8.426   6.060
  449    H    PHE  56           H        PHE  56   0.318   4.533   4.404
  450    HA   PHE  56           HA       PHE  56  -1.319   5.538   2.267
  451   1HB   PHE  56          2HB       PHE  56   1.187   4.945   2.212
  452   2HB   PHE  56          1HB       PHE  56   0.658   3.276   1.984
  453    HD1  PHE  56           HD2      PHE  56  -0.998   2.794   0.080
  454    HD2  PHE  56           HD1      PHE  56   1.251   6.438   0.384
  455    HE1  PHE  56           HE2      PHE  56  -1.398   3.240  -2.326
  456    HE2  PHE  56           HE1      PHE  56   0.851   6.886  -2.018
  457    HZ   PHE  56           HZ       PHE  56  -0.474   5.289  -3.376
  458    H    VAL  57           H        VAL  57  -0.921   2.280   3.659
  459    HA   VAL  57           HA       VAL  57  -2.751   0.985   1.864
  460    HB   VAL  57           HB       VAL  57  -2.050   0.208   4.714
  461   1HG1  VAL  57          1HG1      VAL  57  -3.467  -1.118   2.439
  462   2HG1  VAL  57          3HG1      VAL  57  -2.424  -2.116   3.452
  463   3HG1  VAL  57          2HG1      VAL  57  -3.773  -1.238   4.172
  464   1HG2  VAL  57          3HG2      VAL  57  -0.181   0.585   2.870
  465   2HG2  VAL  57          2HG2      VAL  57  -0.129  -0.833   3.916
  466   3HG2  VAL  57          1HG2      VAL  57  -0.761  -0.970   2.275
  467    H    ARG  58           H        ARG  58  -3.152   2.802   4.849
  468    HA   ARG  58           HA       ARG  58  -5.847   2.026   5.432
  469   1HB   ARG  58          2HB       ARG  58  -4.063   4.303   6.163
  470   2HB   ARG  58          1HB       ARG  58  -5.797   4.521   6.411
  471   1HG   ARG  58          2HG       ARG  58  -4.538   1.968   7.336
  472   2HG   ARG  58          1HG       ARG  58  -4.289   3.424   8.299
  473   1HD   ARG  58          2HD       ARG  58  -7.026   2.509   7.395
  474   2HD   ARG  58          1HD       ARG  58  -6.322   2.034   8.940
  475    HE   ARG  58           HE       ARG  58  -7.388   4.669   8.282
  476   1HH1  ARG  58          1HH2      ARG  58  -6.694   2.707  10.808
  477   2HH1  ARG  58          2HH2      ARG  58  -5.966   3.906  11.823
  478   1HH2  ARG  58          2HH1      ARG  58  -5.790   6.299   9.320
  479   2HH2  ARG  58          1HH1      ARG  58  -5.454   5.941  10.980
  480    H    GLN  59           H        GLN  59  -4.500   4.671   3.462
  481    HA   GLN  59           HA       GLN  59  -7.011   5.858   2.754
  482   1HB   GLN  59          2HB       GLN  59  -4.319   5.822   1.362
  483   2HB   GLN  59          1HB       GLN  59  -5.691   6.753   0.770
  484   1HG   GLN  59          2HG       GLN  59  -4.445   7.034   3.520
  485   2HG   GLN  59          1HG       GLN  59  -4.192   8.139   2.169
  486   1HE2  GLN  59          2HE2      GLN  59  -7.806   9.081   2.304
  487   2HE2  GLN  59          1HE2      GLN  59  -6.792   8.387   1.135
  488    H    LEU  60           H        LEU  60  -5.039   3.325   1.240
  489    HA   LEU  60           HA       LEU  60  -6.635   2.946  -1.097
  490   1HB   LEU  60          2HB       LEU  60  -4.850   1.064   0.462
  491   2HB   LEU  60          1HB       LEU  60  -5.594   0.630  -1.067
  492    HG   LEU  60           HG       LEU  60  -3.800   3.037  -0.662
  493   1HD1  LEU  60          1HD1      LEU  60  -3.267   0.202  -1.416
  494   2HD1  LEU  60          3HD1      LEU  60  -2.415   1.448  -2.328
  495   3HD1  LEU  60          2HD1      LEU  60  -2.231   1.356  -0.577
  496   1HD2  LEU  60          2HD2      LEU  60  -5.176   1.796  -3.052
  497   2HD2  LEU  60          1HD2      LEU  60  -5.252   3.468  -2.499
  498   3HD2  LEU  60          3HD2      LEU  60  -3.773   2.848  -3.235
  499    H    ASN  61           H        ASN  61  -6.995   1.840   2.206
  500    HA   ASN  61           HA       ASN  61  -8.971  -0.207   1.706
  501   1HB   ASN  61          2HB       ASN  61  -8.048   1.335   4.116
  502   2HB   ASN  61          1HB       ASN  61  -9.504   0.346   4.217
  503   1HD2  ASN  61          2HD2      ASN  61  -7.647  -2.595   4.635
  504   2HD2  ASN  61          1HD2      ASN  61  -9.094  -1.744   4.889
  505    H    MET  62           H        MET  62  -9.215   3.185   2.798
  506    HA   MET  62           HA       MET  62 -12.038   3.279   3.036
  507   1HB   MET  62          2HB       MET  62  -9.841   5.252   2.806
  508   2HB   MET  62          1HB       MET  62 -11.437   5.841   2.343
  509   1HG   MET  62          2HG       MET  62 -12.348   5.028   4.502
  510   2HG   MET  62          1HG       MET  62 -10.733   4.495   4.969
  511   1HE   MET  62          1HE       MET  62 -10.735   5.457   6.900
  512   2HE   MET  62          3HE       MET  62  -9.233   6.341   6.604
  513   3HE   MET  62          2HE       MET  62 -10.606   7.157   7.345
  514    H    TYR  63           H        TYR  63 -10.110   3.147   0.156
  515    HA   TYR  63           HA       TYR  63 -12.382   4.198  -1.458
  516   1HB   TYR  63          2HB       TYR  63  -9.517   3.584  -2.237
  517   2HB   TYR  63          1HB       TYR  63 -10.748   4.219  -3.331
  518    HD1  TYR  63           HD2      TYR  63 -12.169   6.241  -2.069
  519    HD2  TYR  63           HD1      TYR  63  -8.043   5.215  -1.452
  520    HE1  TYR  63           HE2      TYR  63 -11.723   8.534  -1.246
  521    HE2  TYR  63           HE1      TYR  63  -7.598   7.511  -0.627
  522    HH   TYR  63           HH       TYR  63 -10.069   9.678   0.204
  523    H    GLY  64           H        GLY  64 -10.658   1.253  -0.713
  524   1HA   GLY  64          2HA       GLY  64 -11.802  -0.887  -1.067
  525   2HA   GLY  64          1HA       GLY  64 -12.541  -0.202  -2.514
  526    H    TRP  65           H        TRP  65  -9.339  -0.994  -1.170
  527    HA   TRP  65           HA       TRP  65  -8.535  -1.988  -3.866
  528   1HB   TRP  65          2HB       TRP  65  -7.084  -0.011  -2.106
  529   2HB   TRP  65          1HB       TRP  65  -6.209  -1.008  -3.265
  530    HD1  TRP  65           HD1      TRP  65  -8.013   2.173  -3.002
  531    HE1  TRP  65           HE1      TRP  65  -8.503   3.148  -5.339
  532    HE3  TRP  65           HE3      TRP  65  -6.982  -1.907  -5.897
  533    HZ2  TRP  65           HZ2      TRP  65  -8.464   2.309  -8.072
  534    HZ3  TRP  65           HZ3      TRP  65  -7.218  -1.791  -8.362
  535    HH2  TRP  65           HH2      TRP  65  -7.958   0.311  -9.452
  536    H    HIS  66           H        HIS  66  -8.560  -4.170  -3.229
  537    HA   HIS  66           HA       HIS  66  -6.468  -4.944  -1.280
  538   1HB   HIS  66          2HB       HIS  66  -9.411  -5.483  -0.955
  539   2HB   HIS  66          1HB       HIS  66  -8.211  -6.576  -0.262
  540    HD1  HIS  66           HD1      HIS  66  -6.260  -5.198   1.185
  541    HD2  HIS  66           HD2      HIS  66  -9.984  -3.381   0.731
  542    HE1  HIS  66           HE1      HIS  66  -6.410  -3.416   2.978
  543    H    LYS  67           H        LYS  67  -5.320  -6.497  -2.193
  544    HA   LYS  67           HA       LYS  67  -4.652  -8.042  -3.831
  545   1HB   LYS  67          2HB       LYS  67  -5.347 -10.204  -3.208
  546   2HB   LYS  67          1HB       LYS  67  -5.536  -9.243  -1.749
  547   1HG   LYS  67          2HG       LYS  67  -8.010  -9.004  -3.024
  548   2HG   LYS  67          1HG       LYS  67  -7.553 -10.678  -3.308
  549   1HD   LYS  67          2HD       LYS  67  -6.877 -10.442  -0.688
  550   2HD   LYS  67          1HD       LYS  67  -8.226  -9.308  -0.763
  551   1HE   LYS  67          2HE       LYS  67  -9.707 -11.004  -1.615
  552   2HE   LYS  67          1HE       LYS  67  -8.372 -12.131  -1.847
  553   1HZ   LYS  67          3HZ       LYS  67  -8.000 -11.989   0.599
  554   2HZ   LYS  67          2HZ       LYS  67  -9.458 -11.125   0.722
  555   3HZ   LYS  67          1HZ       LYS  67  -9.460 -12.727   0.151
  556    H    VAL  68           H        VAL  68  -6.210 -10.083  -5.112
  557    HA   VAL  68           HA       VAL  68  -7.620  -8.407  -7.142
  558    HB   VAL  68           HB       VAL  68  -7.076 -10.239  -8.735
  559   1HG1  VAL  68          2HG1      VAL  68  -5.505  -8.252  -8.107
  560   2HG1  VAL  68          1HG1      VAL  68  -4.529  -9.487  -7.314
  561   3HG1  VAL  68          3HG1      VAL  68  -4.839  -9.587  -9.048
  562   1HG2  VAL  68          2HG2      VAL  68  -6.984 -12.000  -6.882
  563   2HG2  VAL  68          1HG2      VAL  68  -5.699 -12.092  -8.085
  564   3HG2  VAL  68          3HG2      VAL  68  -5.376 -11.383  -6.503
  565    H    GLN  69           H        GLN  69  -9.051 -10.277  -8.496
  566    HA   GLN  69           HA       GLN  69 -10.957 -11.267  -6.424
  567   1HB   GLN  69          2HB       GLN  69 -12.610 -11.266  -8.318
  568   2HB   GLN  69          1HB       GLN  69 -11.961  -9.668  -7.954
  569   1HG   GLN  69          2HG       GLN  69 -10.911  -9.502  -9.963
  570   2HG   GLN  69          1HG       GLN  69 -10.359 -11.176  -9.917
  571   1HE2  GLN  69          2HE2      GLN  69 -14.180 -10.552 -11.331
  572   2HE2  GLN  69          1HE2      GLN  69 -13.617  -9.601 -10.043
  573    H    ASP  70           H        ASP  70  -9.176 -13.085  -6.370
  574    HA   ASP  70           HA       ASP  70 -10.098 -15.224  -8.232
  575   1HB   ASP  70          2HB       ASP  70  -7.598 -14.018  -8.420
  576   2HB   ASP  70          1HB       ASP  70  -7.269 -15.476  -7.489
  577    H    VAL  71           H        VAL  71 -11.400 -15.686  -6.246
  578    HA   VAL  71           HA       VAL  71 -11.825 -16.961  -4.341
  579    HB   VAL  71           HB       VAL  71  -9.212 -18.256  -5.183
  580   1HG1  VAL  71          1HG1      VAL  71 -10.852 -18.663  -2.849
  581   2HG1  VAL  71          3HG1      VAL  71 -10.985 -20.080  -3.890
  582   3HG1  VAL  71          2HG1      VAL  71  -9.402 -19.537  -3.338
  583   1HG2  VAL  71          3HG2      VAL  71 -11.068 -18.216  -6.878
  584   2HG2  VAL  71          2HG2      VAL  71 -10.632 -19.842  -6.355
  585   3HG2  VAL  71          1HG2      VAL  71 -12.084 -19.071  -5.718
  586    H    LYS  72           H        LYS  72  -8.419 -17.438  -3.574
  587    HA   LYS  72           HA       LYS  72  -8.568 -15.183  -1.634
  588   1HB   LYS  72          2HB       LYS  72  -7.107 -16.968  -0.189
  589   2HB   LYS  72          1HB       LYS  72  -8.839 -16.745   0.009
  590   1HG   LYS  72          2HG       LYS  72  -9.356 -18.700  -1.179
  591   2HG   LYS  72          1HG       LYS  72  -7.802 -18.729  -2.010
  592   1HD   LYS  72          2HD       LYS  72  -6.819 -18.996   0.409
  593   2HD   LYS  72          1HD       LYS  72  -8.449 -19.533   0.811
  594   1HE   LYS  72          2HE       LYS  72  -8.292 -21.181  -1.090
  595   2HE   LYS  72          1HE       LYS  72  -6.596 -20.729  -1.264
  596   1HZ   LYS  72          2HZ       LYS  72  -7.812 -21.751   1.245
  597   2HZ   LYS  72          1HZ       LYS  72  -6.940 -22.705   0.143
  598   3HZ   LYS  72          3HZ       LYS  72  -6.165 -21.440   0.966
  599    H    SER  73           H        SER  73  -6.226 -17.730  -2.590
  600    HA   SER  73           HA       SER  73  -4.035 -15.788  -2.510
  601   1HB   SER  73          2HB       SER  73  -2.808 -17.865  -3.549
  602   2HB   SER  73          1HB       SER  73  -3.313 -17.920  -1.862
  603    HG   SER  73           HG       SER  73  -4.159 -19.736  -2.657
  604    H    GLY  74           H        GLY  74  -5.404 -17.899  -5.061
  605   1HA   GLY  74          2HA       GLY  74  -5.921 -17.264  -7.300
  606   2HA   GLY  74          1HA       GLY  74  -5.144 -15.706  -7.013
  607    H    SER  75           H        SER  75  -2.688 -15.892  -6.628
  608    HA   SER  75           HA       SER  75  -1.389 -18.165  -7.969
  609   1HB   SER  75          2HB       SER  75  -0.175 -16.258  -9.422
  610   2HB   SER  75          1HB       SER  75  -1.620 -17.089  -9.988
  611    HG   SER  75           HG       SER  75  -1.626 -14.683  -8.477
  612    H    MET  76           H        MET  76  -0.940 -17.780  -5.443
  613    HA   MET  76           HA       MET  76   1.813 -16.777  -5.309
  614   1HB   MET  76          2HB       MET  76   1.290 -15.313  -3.312
  615   2HB   MET  76          1HB       MET  76   0.678 -14.697  -4.847
  616   1HG   MET  76          2HG       MET  76  -1.519 -15.078  -4.286
  617   2HG   MET  76          1HG       MET  76  -1.134 -16.489  -3.303
  618   1HE   MET  76          1HE       MET  76  -1.319 -12.794  -3.734
  619   2HE   MET  76          3HE       MET  76  -2.812 -13.294  -2.928
  620   3HE   MET  76          2HE       MET  76  -1.700 -12.193  -2.121
  621    H    LEU  77           H        LEU  77   1.813 -19.194  -4.978
  622    HA   LEU  77           HA       LEU  77   0.660 -20.414  -2.661
  623   1HB   LEU  77          2HB       LEU  77   2.806 -21.111  -4.611
  624   2HB   LEU  77          1HB       LEU  77   2.795 -21.987  -3.080
  625    HG   LEU  77           HG       LEU  77   0.246 -22.285  -3.552
  626   1HD1  LEU  77          3HD1      LEU  77   1.352 -21.340  -6.180
  627   2HD1  LEU  77          2HD1      LEU  77   0.045 -22.524  -6.165
  628   3HD1  LEU  77          1HD1      LEU  77  -0.187 -20.946  -5.414
  629   1HD2  LEU  77          2HD2      LEU  77   2.553 -23.699  -4.866
  630   2HD2  LEU  77          1HD2      LEU  77   1.523 -24.249  -3.545
  631   3HD2  LEU  77          3HD2      LEU  77   0.903 -24.225  -5.195
  632    H    SER  78           H        SER  78   3.935 -19.088  -3.228
  633    HA   SER  78           HA       SER  78   4.323 -19.105  -0.271
  634   1HB   SER  78          2HB       SER  78   5.915 -20.486  -1.672
  635   2HB   SER  78          1HB       SER  78   6.467 -18.989  -2.418
  636    HG   SER  78           HG       SER  78   7.494 -19.966  -0.345
  637    H    ASN  79           H        ASN  79   6.731 -17.170  -1.552
  638    HA   ASN  79           HA       ASN  79   7.045 -14.853  -1.578
  639   1HB   ASN  79          2HB       ASN  79   4.136 -14.797  -2.436
  640   2HB   ASN  79          1HB       ASN  79   5.343 -13.539  -2.711
  641   1HD2  ASN  79          2HD2      ASN  79   7.138 -15.651  -5.131
  642   2HD2  ASN  79          1HD2      ASN  79   7.503 -14.711  -3.766
  643    H    ASN  80           H        ASN  80   7.320 -14.293   0.574
  644    HA   ASN  80           HA       ASN  80   4.854 -13.823   2.190
  645   1HB   ASN  80          2HB       ASN  80   6.471 -13.820   4.142
  646   2HB   ASN  80          1HB       ASN  80   6.324 -15.361   3.299
  647   1HD2  ASN  80          2HD2      ASN  80   9.814 -13.219   2.954
  648   2HD2  ASN  80          1HD2      ASN  80   8.398 -12.427   3.452
  649    H    ASP  81           H        ASP  81   7.564 -12.210   0.709
  650    HA   ASP  81           HA       ASP  81   6.466  -9.625   1.622
  651   1HB   ASP  81          2HB       ASP  81   9.043 -10.765   2.546
  652   2HB   ASP  81          1HB       ASP  81   9.102  -9.084   2.016
  653    H    SER  82           H        SER  82   7.508  -7.793   0.423
  654    HA   SER  82           HA       SER  82   8.183  -6.797  -1.588
  655   1HB   SER  82          2HB       SER  82   9.701  -9.230  -2.416
  656   2HB   SER  82          1HB       SER  82  10.176  -7.535  -2.479
  657    HG   SER  82           HG       SER  82  10.796  -7.619  -0.428
  658    H    ARG  83           H        ARG  83   5.804  -8.621  -1.449
  659    HA   ARG  83           HA       ARG  83   5.389  -8.835  -4.361
  660   1HB   ARG  83          2HB       ARG  83   5.659 -11.176  -2.539
  661   2HB   ARG  83          1HB       ARG  83   4.337 -11.232  -3.704
  662   1HG   ARG  83          2HG       ARG  83   7.220 -10.639  -4.428
  663   2HG   ARG  83          1HG       ARG  83   6.465 -12.224  -4.583
  664   1HD   ARG  83          2HD       ARG  83   4.829 -10.153  -5.818
  665   2HD   ARG  83          1HD       ARG  83   6.454 -10.184  -6.501
  666    HE   ARG  83           HE       ARG  83   4.509 -12.428  -6.585
  667   1HH1  ARG  83          2HH1      ARG  83   6.162 -14.315  -6.883
  668   2HH1  ARG  83          1HH1      ARG  83   7.189 -14.076  -8.257
  669   1HH2  ARG  83          1HH2      ARG  83   6.449 -10.700  -8.557
  670   2HH2  ARG  83          2HH2      ARG  83   7.351 -12.030  -9.205
  671    H    TRP  84           H        TRP  84   3.803  -7.196  -4.003
  672    HA   TRP  84           HA       TRP  84   1.393  -8.133  -2.493
  673   1HB   TRP  84          2HB       TRP  84   2.378  -5.290  -2.889
  674   2HB   TRP  84          1HB       TRP  84   0.869  -5.736  -2.098
  675    HD1  TRP  84           HD1      TRP  84   4.551  -6.911  -1.715
  676    HE1  TRP  84           HE1      TRP  84   5.099  -6.982   0.801
  677    HE3  TRP  84           HE3      TRP  84   0.088  -5.338   0.205
  678    HZ2  TRP  84           HZ2      TRP  84   3.817  -6.440   3.299
  679    HZ3  TRP  84           HZ3      TRP  84  -0.221  -5.122   2.654
  680    HH2  TRP  84           HH2      TRP  84   1.636  -5.671   4.203
  681    H    GLU  85           H        GLU  85  -0.656  -7.204  -3.365
  682    HA   GLU  85           HA       GLU  85  -0.625  -6.248  -6.144
  683   1HB   GLU  85          2HB       GLU  85  -2.151  -8.122  -6.882
  684   2HB   GLU  85          1HB       GLU  85  -0.497  -8.636  -6.550
  685   1HG   GLU  85          2HG       GLU  85  -1.182  -9.370  -4.290
  686   2HG   GLU  85          1HG       GLU  85  -2.840  -8.880  -4.638
  687    H    PHE  86           H        PHE  86  -2.580  -5.148  -6.620
  688    HA   PHE  86           HA       PHE  86  -4.705  -5.278  -4.524
  689   1HB   PHE  86          2HB       PHE  86  -3.878  -2.621  -5.686
  690   2HB   PHE  86          1HB       PHE  86  -4.765  -2.945  -4.201
  691    HD1  PHE  86           HD2      PHE  86  -3.286  -4.678  -2.581
  692    HD2  PHE  86           HD1      PHE  86  -1.751  -1.782  -5.357
  693    HE1  PHE  86           HE2      PHE  86  -1.150  -4.598  -1.322
  694    HE2  PHE  86           HE1      PHE  86   0.382  -1.702  -4.096
  695    HZ   PHE  86           HZ       PHE  86   0.682  -3.111  -2.078
  696    H    GLU  87           H        GLU  87  -6.774  -4.466  -5.259
  697    HA   GLU  87           HA       GLU  87  -7.153  -3.769  -8.070
  698   1HB   GLU  87          2HB       GLU  87  -6.927  -6.351  -7.921
  699   2HB   GLU  87          1HB       GLU  87  -8.505  -6.302  -7.135
  700   1HG   GLU  87          2HG       GLU  87  -8.370  -4.670  -9.583
  701   2HG   GLU  87          1HG       GLU  87  -8.093  -6.388  -9.868
  702    H    ASN  88           H        ASN  88  -9.530  -3.363  -8.484
  703    HA   ASN  88           HA       ASN  88 -10.686  -1.850  -6.358
  704   1HB   ASN  88          2HB       ASN  88 -11.240  -2.340  -9.109
  705   2HB   ASN  88          1HB       ASN  88 -12.723  -2.690  -8.222
  706   1HD2  ASN  88          2HD2      ASN  88 -13.327   0.696  -7.373
  707   2HD2  ASN  88          1HD2      ASN  88 -13.814  -0.919  -7.177
  708    H    GLU  89           H        GLU  89 -13.122  -2.372  -5.712
  709    HA   GLU  89           HA       GLU  89 -13.080  -4.657  -4.022
  710   1HB   GLU  89          2HB       GLU  89 -14.849  -2.482  -4.553
  711   2HB   GLU  89          1HB       GLU  89 -15.802  -3.963  -4.651
  712   1HG   GLU  89          2HG       GLU  89 -14.804  -4.660  -2.442
  713   2HG   GLU  89          1HG       GLU  89 -14.066  -3.060  -2.335
  714    H    ARG  90           H        ARG  90 -13.949  -4.331  -7.378
  715    HA   ARG  90           HA       ARG  90 -14.501  -5.920  -8.972
  716   1HB   ARG  90          2HB       ARG  90 -13.439  -7.909  -8.747
  717   2HB   ARG  90          1HB       ARG  90 -12.841  -7.252  -7.235
  718   1HG   ARG  90          2HG       ARG  90 -13.681  -9.277  -6.488
  719   2HG   ARG  90          1HG       ARG  90 -15.124  -8.289  -6.292
  720   1HD   ARG  90          2HD       ARG  90 -15.574  -8.980  -8.797
  721   2HD   ARG  90          1HD       ARG  90 -14.496 -10.319  -8.405
  722    HE   ARG  90           HE       ARG  90 -17.215  -9.993  -7.444
  723   1HH1  ARG  90          1HH2      ARG  90 -15.416 -10.063  -4.989
  724   2HH1  ARG  90          2HH2      ARG  90 -15.379 -11.760  -4.648
  725   1HH2  ARG  90          2HH1      ARG  90 -16.596 -12.680  -7.764
  726   2HH2  ARG  90          1HH1      ARG  90 -16.048 -13.244  -6.221
  727    H    HIS  91           H        HIS  91 -16.363  -7.017  -9.682
  728    HA   HIS  91           HA       HIS  91 -18.524  -7.422  -7.669
  729   1HB   HIS  91          2HB       HIS  91 -20.131  -6.388  -9.341
  730   2HB   HIS  91          1HB       HIS  91 -19.025  -5.249  -8.574
  731    HD1  HIS  91           HD1      HIS  91 -16.689  -4.889 -10.066
  732    HD2  HIS  91           HD2      HIS  91 -20.101  -6.172 -12.092
  733    HE1  HIS  91           HE1      HIS  91 -16.300  -4.382 -12.517
  734    H    ALA  92           HN       ALA  92 -17.500  -7.891 -11.055
  735    HA   ALA  92           HA       ALA  92 -17.834  -9.693 -12.515
  736   1HB   ALA  92          1HB       ALA  92 -17.394 -10.797  -9.869
  737   2HB   ALA  92          3HB       ALA  92 -18.460 -11.842 -10.808
  738   3HB   ALA  92          2HB       ALA  92 -16.867 -11.415 -11.432
   
  No H/Q in entry =         738
  Start of MODEL           9
 Raw file had  756 H/Q atoms
  Start of MODEL    9
    1   1H    ALA   1          2H        ALA   1 -14.004  14.739 -11.686
    2   2H    ALA   1          1H        ALA   1 -14.745  16.262 -11.544
    3   3H    ALA   1          3H        ALA   1 -13.053  16.145 -11.597
    4    HA   ALA   1           HA       ALA   1 -13.469  16.470  -9.355
    5   1HB   ALA   1          3HB       ALA   1 -15.757  14.516  -9.741
    6   2HB   ALA   1          2HB       ALA   1 -15.265  15.173  -8.180
    7   3HB   ALA   1          1HB       ALA   1 -15.894  16.246  -9.430
    8    H    ARG   2           H        ARG   2 -11.541  15.557  -8.778
    9    HA   ARG   2           HA       ARG   2 -11.457  12.574  -8.553
   10   1HB   ARG   2          2HB       ARG   2  -9.086  14.347  -9.208
   11   2HB   ARG   2          1HB       ARG   2  -9.135  12.585  -9.220
   12   1HG   ARG   2          2HG       ARG   2 -10.909  14.264 -11.006
   13   2HG   ARG   2          1HG       ARG   2  -9.307  13.723 -11.504
   14   1HD   ARG   2          2HD       ARG   2  -9.922  11.456 -11.467
   15   2HD   ARG   2          1HD       ARG   2 -11.315  11.755 -10.428
   16    HE   ARG   2           HE       ARG   2 -12.375  12.878 -12.429
   17   1HH1  ARG   2          1HH2      ARG   2  -9.369  12.062 -13.509
   18   2HH1  ARG   2          2HH2      ARG   2  -9.889  11.067 -14.828
   19   1HH2  ARG   2          2HH1      ARG   2 -13.208  11.019 -13.834
   20   2HH2  ARG   2          1HH1      ARG   2 -12.060  10.477 -15.013
   21    HA   PRO   3           HA       PRO   3 -10.528  13.679  -4.384
   22   1HB   PRO   3          2HB       PRO   3  -9.661  11.255  -3.442
   23   2HB   PRO   3          1HB       PRO   3 -11.373  11.659  -3.656
   24   1HG   PRO   3          2HG       PRO   3  -9.643   9.896  -5.300
   25   2HG   PRO   3          1HG       PRO   3 -11.399   9.854  -5.081
   26   1HD   PRO   3          2HD       PRO   3 -10.026  10.903  -7.320
   27   2HD   PRO   3          1HD       PRO   3 -11.743  11.135  -6.942
   28    H    ALA   4           H        ALA   4  -8.606  13.947  -3.045
   29    HA   ALA   4           HA       ALA   4  -6.195  14.377  -4.547
   30   1HB   ALA   4          1HB       ALA   4  -7.099  15.417  -2.265
   31   2HB   ALA   4          3HB       ALA   4  -6.099  14.142  -1.571
   32   3HB   ALA   4          2HB       ALA   4  -5.374  15.356  -2.625
   33    H    PHE   5           H        PHE   5  -7.373  11.642  -2.675
   34    HA   PHE   5           HA       PHE   5  -4.765  10.409  -2.354
   35   1HB   PHE   5          2HB       PHE   5  -6.738   9.868  -0.901
   36   2HB   PHE   5          1HB       PHE   5  -7.467   9.041  -2.280
   37    HD1  PHE   5           HD2      PHE   5  -4.158   9.181  -0.497
   38    HD2  PHE   5           HD1      PHE   5  -7.100   6.748  -2.468
   39    HE1  PHE   5           HE2      PHE   5  -2.801   7.158  -0.029
   40    HE2  PHE   5           HE1      PHE   5  -5.742   4.728  -2.002
   41    HZ   PHE   5           HZ       PHE   5  -3.592   4.929  -0.783
   42    H    VAL   6           H        VAL   6  -7.522   9.662  -4.546
   43    HA   VAL   6           HA       VAL   6  -6.177   7.639  -6.021
   44    HB   VAL   6           HB       VAL   6  -8.367   9.559  -6.880
   45   1HG1  VAL   6          3HG1      VAL   6  -6.849   7.598  -8.415
   46   2HG1  VAL   6          2HG1      VAL   6  -8.562   7.185  -8.369
   47   3HG1  VAL   6          1HG1      VAL   6  -8.051   8.762  -8.970
   48   1HG2  VAL   6          2HG2      VAL   6  -8.894   8.062  -4.972
   49   2HG2  VAL   6          1HG2      VAL   6  -9.832   7.640  -6.405
   50   3HG2  VAL   6          3HG2      VAL   6  -8.432   6.669  -5.950
   51    H    ASN   7           H        ASN   7  -6.125  11.167  -6.361
   52    HA   ASN   7           HA       ASN   7  -4.745  11.252  -8.881
   53   1HB   ASN   7          2HB       ASN   7  -4.850  13.189  -6.549
   54   2HB   ASN   7          1HB       ASN   7  -3.999  13.546  -8.051
   55   1HD2  ASN   7          2HD2      ASN   7  -7.203  13.393  -9.928
   56   2HD2  ASN   7          1HD2      ASN   7  -5.695  12.619 -10.022
   57    H    LYS   8           H        LYS   8  -3.563  11.300  -5.509
   58    HA   LYS   8           HA       LYS   8  -0.772  11.380  -6.183
   59   1HB   LYS   8          2HB       LYS   8  -2.182  10.321  -3.714
   60   2HB   LYS   8          1HB       LYS   8  -0.440  10.562  -3.844
   61   1HG   LYS   8          2HG       LYS   8  -0.635  12.891  -3.939
   62   2HG   LYS   8          1HG       LYS   8  -2.312  12.826  -4.480
   63   1HD   LYS   8          2HD       LYS   8  -3.056  12.097  -2.291
   64   2HD   LYS   8          1HD       LYS   8  -1.390  11.940  -1.732
   65   1HE   LYS   8          2HE       LYS   8  -1.111  14.419  -2.229
   66   2HE   LYS   8          1HE       LYS   8  -2.857  14.486  -2.459
   67   1HZ   LYS   8          3HZ       LYS   8  -1.702  13.312  -0.013
   68   2HZ   LYS   8          2HZ       LYS   8  -1.915  14.992  -0.150
   69   3HZ   LYS   8          1HZ       LYS   8  -3.254  13.951  -0.256
   70    H    LEU   9           H        LEU   9  -3.124   8.820  -6.172
   71    HA   LEU   9           HA       LEU   9  -1.329   6.583  -5.920
   72   1HB   LEU   9          2HB       LEU   9  -3.929   6.691  -5.727
   73   2HB   LEU   9          1HB       LEU   9  -3.908   6.538  -7.483
   74    HG   LEU   9           HG       LEU   9  -2.450   4.485  -7.180
   75   1HD1  LEU   9          2HD1      LEU   9  -2.982   5.249  -4.346
   76   2HD1  LEU   9          1HD1      LEU   9  -3.014   3.529  -4.735
   77   3HD1  LEU   9          3HD1      LEU   9  -1.562   4.478  -5.053
   78   1HD2  LEU   9          1HD2      LEU   9  -5.126   4.725  -7.305
   79   2HD2  LEU   9          3HD2      LEU   9  -4.339   3.159  -7.126
   80   3HD2  LEU   9          2HD2      LEU   9  -4.999   3.979  -5.713
   81    H    TRP  10           H        TRP  10  -3.075   7.779  -8.797
   82    HA   TRP  10           HA       TRP  10  -1.478   6.360 -10.699
   83   1HB   TRP  10          2HB       TRP  10  -2.897   8.990 -11.199
   84   2HB   TRP  10          1HB       TRP  10  -2.559   7.715 -12.365
   85    HD1  TRP  10           HD1      TRP  10  -5.441   9.014 -11.119
   86    HE1  TRP  10           HE1      TRP  10  -7.267   7.293 -10.548
   87    HE3  TRP  10           HE3      TRP  10  -2.609   4.764 -10.818
   88    HZ2  TRP  10           HZ2      TRP  10  -7.505   4.502 -10.009
   89    HZ3  TRP  10           HZ3      TRP  10  -3.667   2.593 -10.273
   90    HH2  TRP  10           HH2      TRP  10  -6.110   2.455  -9.870
   91    H    SER  11           H        SER  11  -0.834   9.256  -8.891
   92    HA   SER  11           HA       SER  11   0.997  10.481 -10.754
   93   1HB   SER  11          2HB       SER  11   0.291  10.827  -7.881
   94   2HB   SER  11          1HB       SER  11   1.837  11.479  -8.417
   95    HG   SER  11           HG       SER  11   0.821  12.867  -9.697
   96    H    MET  12           H        MET  12   1.369   8.065  -8.201
   97    HA   MET  12           HA       MET  12   4.311   8.114  -8.468
   98   1HB   MET  12          2HB       MET  12   2.504   6.344  -6.792
   99   2HB   MET  12          1HB       MET  12   4.262   6.426  -6.674
  100   1HG   MET  12          2HG       MET  12   3.879   8.984  -6.321
  101   2HG   MET  12          1HG       MET  12   2.226   8.513  -5.927
  102   1HE   MET  12          3HE       MET  12   1.455   7.143  -4.356
  103   2HE   MET  12          2HE       MET  12   2.457   5.705  -4.191
  104   3HE   MET  12          1HE       MET  12   2.185   6.743  -2.795
  105    H    VAL  13           H        VAL  13   1.680   5.735  -8.940
  106    HA   VAL  13           HA       VAL  13   3.354   3.700 -10.051
  107    HB   VAL  13           HB       VAL  13   1.109   3.273  -9.136
  108   1HG1  VAL  13          1HG1      VAL  13   0.151   5.396 -10.166
  109   2HG1  VAL  13          3HG1      VAL  13  -0.002   4.469 -11.658
  110   3HG1  VAL  13          2HG1      VAL  13  -0.874   3.960 -10.211
  111   1HG2  VAL  13          1HG2      VAL  13   1.402   2.579 -12.064
  112   2HG2  VAL  13          3HG2      VAL  13   2.017   1.639 -10.705
  113   3HG2  VAL  13          2HG2      VAL  13   0.279   1.799 -10.950
  114    H    ASN  14           H        ASN  14   1.370   6.202 -11.613
  115    HA   ASN  14           HA       ASN  14   2.210   5.379 -14.293
  116   1HB   ASN  14          2HB       ASN  14  -0.014   6.532 -13.607
  117   2HB   ASN  14          1HB       ASN  14   0.926   8.024 -13.646
  118   1HD2  ASN  14          2HD2      ASN  14   0.718   5.984 -17.216
  119   2HD2  ASN  14          1HD2      ASN  14   0.921   5.102 -15.780
  120    H    ASP  15           H        ASP  15   3.848   7.054 -11.901
  121    HA   ASP  15           HA       ASP  15   4.977   9.223 -13.421
  122   1HB   ASP  15          2HB       ASP  15   5.068   8.419 -10.779
  123   2HB   ASP  15          1HB       ASP  15   6.706   8.078 -11.329
  124    H    LYS  16           H        LYS  16   7.204   9.334 -14.216
  125    HA   LYS  16           HA       LYS  16   7.972   6.853 -15.607
  126   1HB   LYS  16          2HB       LYS  16   8.058   9.515 -16.316
  127   2HB   LYS  16          1HB       LYS  16   9.737   9.204 -15.875
  128   1HG   LYS  16          2HG       LYS  16   9.861   7.341 -17.425
  129   2HG   LYS  16          1HG       LYS  16   8.138   7.467 -17.775
  130   1HD   LYS  16          2HD       LYS  16   8.664   8.860 -19.467
  131   2HD   LYS  16          1HD       LYS  16   9.151  10.047 -18.258
  132   1HE   LYS  16          2HE       LYS  16  11.174   9.899 -19.301
  133   2HE   LYS  16          1HE       LYS  16  11.361   8.459 -18.303
  134   1HZ   LYS  16          2HZ       LYS  16   9.969   7.540 -20.441
  135   2HZ   LYS  16          1HZ       LYS  16  11.006   8.685 -21.149
  136   3HZ   LYS  16          3HZ       LYS  16  11.651   7.412 -20.236
  137    H    SER  17           H        SER  17   9.067   8.863 -12.949
  138    HA   SER  17           HA       SER  17  11.711   7.695 -12.739
  139   1HB   SER  17          2HB       SER  17  11.625   8.730 -10.419
  140   2HB   SER  17          1HB       SER  17  11.363   9.855 -11.748
  141    HG   SER  17           HG       SER  17   9.743   9.248  -9.713
  142    H    ASN  18           H        ASN  18   8.549   7.003 -11.291
  143    HA   ASN  18           HA       ASN  18   9.743   4.719  -9.797
  144   1HB   ASN  18          2HB       ASN  18   6.884   5.710  -9.674
  145   2HB   ASN  18          1HB       ASN  18   7.703   4.654  -8.526
  146   1HD2  ASN  18          2HD2      ASN  18   7.705   8.402  -7.539
  147   2HD2  ASN  18          1HD2      ASN  18   6.477   7.501  -8.286
  148    H    GLU  19           H        GLU  19   8.947   4.973 -12.846
  149    HA   GLU  19           HA       GLU  19   6.785   3.184 -13.324
  150   1HB   GLU  19          2HB       GLU  19   8.928   4.429 -14.872
  151   2HB   GLU  19          1HB       GLU  19   8.575   2.798 -15.444
  152   1HG   GLU  19          2HG       GLU  19   6.137   4.315 -14.856
  153   2HG   GLU  19          1HG       GLU  19   7.136   5.103 -16.078
  154    H    LYS  20           H        LYS  20  10.111   2.583 -12.406
  155    HA   LYS  20           HA       LYS  20   9.867  -0.297 -13.038
  156   1HB   LYS  20          2HB       LYS  20  12.005   1.367 -13.150
  157   2HB   LYS  20          1HB       LYS  20  12.223   0.697 -11.534
  158   1HG   LYS  20          2HG       LYS  20  13.312  -0.936 -12.745
  159   2HG   LYS  20          1HG       LYS  20  11.675  -1.585 -12.823
  160   1HD   LYS  20          2HD       LYS  20  12.529  -1.611 -15.067
  161   2HD   LYS  20          1HD       LYS  20  11.378  -0.277 -14.981
  162   1HE   LYS  20          2HE       LYS  20  13.017   1.331 -15.136
  163   2HE   LYS  20          1HE       LYS  20  14.216   0.339 -14.309
  164   1HZ   LYS  20          3HZ       LYS  20  13.935  -1.106 -16.472
  165   2HZ   LYS  20          2HZ       LYS  20  13.465   0.386 -17.136
  166   3HZ   LYS  20          1HZ       LYS  20  14.998   0.215 -16.422
  167    H    PHE  21           H        PHE  21   9.505   1.849 -10.319
  168    HA   PHE  21           HA       PHE  21   9.666  -0.426  -8.412
  169   1HB   PHE  21          2HB       PHE  21   9.544   2.571  -8.071
  170   2HB   PHE  21          1HB       PHE  21   9.294   1.472  -6.713
  171    HD1  PHE  21           HD1      PHE  21  11.094  -0.214  -6.146
  172    HD2  PHE  21           HD2      PHE  21  11.723   3.001  -8.922
  173    HE1  PHE  21           HE1      PHE  21  13.547  -0.513  -5.933
  174    HE2  PHE  21           HE2      PHE  21  14.177   2.705  -8.708
  175    HZ   PHE  21           HZ       PHE  21  15.087   0.946  -7.214
  176    H    ILE  22           H        ILE  22   7.330   0.964 -10.349
  177    HA   ILE  22           HA       ILE  22   5.170  -0.413  -9.123
  178    HB   ILE  22           HB       ILE  22   5.366   1.324  -7.381
  179   1HG1  ILE  22          2HG1      ILE  22   2.940   2.032  -9.019
  180   2HG1  ILE  22          1HG1      ILE  22   3.108   0.426  -8.309
  181   1HG2  ILE  22          2HG2      ILE  22   5.229   3.158  -9.760
  182   2HG2  ILE  22          1HG2      ILE  22   4.630   3.698  -8.196
  183   3HG2  ILE  22          3HG2      ILE  22   6.315   3.214  -8.376
  184   1HD1  ILE  22          2HD1      ILE  22   3.736   1.890  -6.150
  185   2HD1  ILE  22          1HD1      ILE  22   2.704   3.061  -6.973
  186   3HD1  ILE  22          3HD1      ILE  22   2.068   1.473  -6.542
  187    H    HIS  23           H        HIS  23   3.482  -0.525 -10.602
  188    HA   HIS  23           HA       HIS  23   2.969   1.482 -12.615
  189   1HB   HIS  23          2HB       HIS  23   5.156   0.484 -13.412
  190   2HB   HIS  23          1HB       HIS  23   4.304  -1.046 -13.615
  191    HD1  HIS  23           HD1      HIS  23   2.858  -1.319 -15.676
  192    HD2  HIS  23           HD2      HIS  23   4.154   2.608 -15.154
  193    HE1  HIS  23           HE1      HIS  23   2.207  -0.064 -17.777
  194    H    TRP  24           H        TRP  24   1.212   0.786 -14.077
  195    HA   TRP  24           HA       TRP  24  -0.811  -0.750 -12.821
  196   1HB   TRP  24          2HB       TRP  24  -0.507  -0.389 -15.816
  197   2HB   TRP  24          1HB       TRP  24  -1.994  -0.717 -14.941
  198    HD1  TRP  24           HD1      TRP  24  -0.372   1.703 -12.826
  199    HE1  TRP  24           HE1      TRP  24  -1.132   4.109 -13.337
  200    HE3  TRP  24           HE3      TRP  24  -2.587   0.979 -17.370
  201    HZ2  TRP  24           HZ2      TRP  24  -2.504   5.539 -15.397
  202    HZ3  TRP  24           HZ3      TRP  24  -3.615   2.880 -18.582
  203    HH2  TRP  24           HH2      TRP  24  -3.577   5.157 -17.602
  204    H    SER  25           H        SER  25  -1.599  -2.916 -13.293
  205    HA   SER  25           HA       SER  25   0.476  -4.885 -13.611
  206   1HB   SER  25          2HB       SER  25  -2.505  -4.941 -13.397
  207   2HB   SER  25          1HB       SER  25  -1.694  -6.380 -14.008
  208    HG   SER  25           HG       SER  25  -0.705  -6.641 -12.115
  209    H    THR  26           H        THR  26  -2.401  -4.423 -15.690
  210    HA   THR  26           HA       THR  26  -0.783  -4.389 -18.122
  211    HB   THR  26           HB       THR  26  -2.600  -6.769 -17.630
  212    HG1  THR  26           HG1      THR  26  -0.642  -7.921 -17.569
  213   1HG2  THR  26          1HG2      THR  26  -2.160  -5.732 -20.006
  214   2HG2  THR  26          3HG2      THR  26  -0.582  -6.504 -19.836
  215   3HG2  THR  26          2HG2      THR  26  -2.051  -7.478 -19.781
  216    H    SER  27           H        SER  27  -4.079  -5.291 -17.034
  217    HA   SER  27           HA       SER  27  -5.241  -2.909 -18.240
  218   1HB   SER  27          2HB       SER  27  -5.370  -5.562 -19.641
  219   2HB   SER  27          1HB       SER  27  -6.748  -4.471 -19.736
  220    HG   SER  27           HG       SER  27  -4.585  -4.385 -21.177
  221    H    GLY  28           H        GLY  28  -7.138  -2.469 -17.186
  222   1HA   GLY  28          2HA       GLY  28  -9.329  -3.362 -16.349
  223   2HA   GLY  28          1HA       GLY  28  -8.418  -4.702 -15.657
  224    H    GLU  29           H        GLU  29  -7.001  -1.530 -15.460
  225    HA   GLU  29           HA       GLU  29  -6.535  -0.160 -13.624
  226   1HB   GLU  29          2HB       GLU  29  -9.236  -1.185 -12.699
  227   2HB   GLU  29          1HB       GLU  29  -8.386   0.207 -12.029
  228   1HG   GLU  29          2HG       GLU  29  -9.768   1.260 -13.570
  229   2HG   GLU  29          1HG       GLU  29  -8.330   0.989 -14.555
  230    H    SER  30           H        SER  30  -4.786  -1.138 -12.653
  231    HA   SER  30           HA       SER  30  -5.202  -2.455 -10.102
  232   1HB   SER  30          2HB       SER  30  -3.671  -4.452 -11.057
  233   2HB   SER  30          1HB       SER  30  -5.430  -4.538 -11.055
  234    HG   SER  30           HG       SER  30  -3.872  -3.499 -13.192
  235    H    ILE  31           H        ILE  31  -3.274  -2.375  -8.860
  236    HA   ILE  31           HA       ILE  31  -0.989  -0.997 -10.220
  237    HB   ILE  31           HB       ILE  31  -1.599  -1.075  -7.251
  238   1HG1  ILE  31          2HG1      ILE  31  -2.138   1.177  -9.209
  239   2HG1  ILE  31          1HG1      ILE  31  -3.382   0.067  -8.639
  240   1HG2  ILE  31          2HG2      ILE  31   0.232   0.652  -8.948
  241   2HG2  ILE  31          1HG2      ILE  31  -0.030   0.850  -7.214
  242   3HG2  ILE  31          3HG2      ILE  31   0.746  -0.610  -7.828
  243   1HD1  ILE  31          1HD1      ILE  31  -1.882   1.097  -6.387
  244   2HD1  ILE  31          3HD1      ILE  31  -2.493   2.428  -7.370
  245   3HD1  ILE  31          2HD1      ILE  31  -3.609   1.225  -6.723
  246    H    VAL  32           H        VAL  32   1.169  -1.701  -9.693
  247    HA   VAL  32           HA       VAL  32   1.294  -4.401  -8.404
  248    HB   VAL  32           HB       VAL  32   2.871  -3.511 -10.838
  249   1HG1  VAL  32          3HG1      VAL  32   3.876  -5.207  -9.184
  250   2HG1  VAL  32          2HG1      VAL  32   2.584  -6.293  -9.694
  251   3HG1  VAL  32          1HG1      VAL  32   3.764  -5.715 -10.869
  252   1HG2  VAL  32          3HG2      VAL  32   0.407  -5.230 -10.494
  253   2HG2  VAL  32          2HG2      VAL  32   0.627  -3.846 -11.564
  254   3HG2  VAL  32          1HG2      VAL  32   1.449  -5.368 -11.909
  255    H    VAL  33           H        VAL  33   2.996  -4.698  -6.997
  256    HA   VAL  33           HA       VAL  33   4.941  -2.438  -6.726
  257    HB   VAL  33           HB       VAL  33   3.921  -4.188  -4.470
  258   1HG1  VAL  33          2HG1      VAL  33   5.602  -1.676  -4.630
  259   2HG1  VAL  33          1HG1      VAL  33   4.867  -2.235  -3.129
  260   3HG1  VAL  33          3HG1      VAL  33   6.060  -3.238  -3.953
  261   1HG2  VAL  33          1HG2      VAL  33   3.052  -1.402  -5.311
  262   2HG2  VAL  33          3HG2      VAL  33   2.055  -2.856  -5.337
  263   3HG2  VAL  33          2HG2      VAL  33   2.592  -2.183  -3.798
  264    HA   PRO  34           HA       PRO  34   7.295  -6.246  -7.508
  265   1HB   PRO  34          2HB       PRO  34   9.442  -5.038  -8.712
  266   2HB   PRO  34          1HB       PRO  34   7.987  -5.539  -9.590
  267   1HG   PRO  34          2HG       PRO  34   8.862  -2.805  -8.820
  268   2HG   PRO  34          1HG       PRO  34   7.814  -3.314 -10.153
  269   1HD   PRO  34          2HD       PRO  34   6.965  -2.195  -7.696
  270   2HD   PRO  34          1HD       PRO  34   5.931  -2.971  -8.909
  271    H    ASN  35           H        ASN  35   8.211  -3.159  -6.101
  272    HA   ASN  35           HA       ASN  35   9.828  -4.585  -4.072
  273   1HB   ASN  35          2HB       ASN  35  10.874  -2.578  -6.036
  274   2HB   ASN  35          1HB       ASN  35  11.509  -2.552  -4.389
  275   1HD2  ASN  35          2HD2      ASN  35  12.404  -5.701  -6.849
  276   2HD2  ASN  35          1HD2      ASN  35  11.193  -4.597  -7.294
  277    H    ARG  36           H        ARG  36   8.074  -3.993  -2.665
  278    HA   ARG  36           HA       ARG  36   7.198  -1.257  -2.368
  279   1HB   ARG  36          2HB       ARG  36   5.944  -2.053  -0.461
  280   2HB   ARG  36          1HB       ARG  36   5.865  -3.299  -1.702
  281   1HG   ARG  36          2HG       ARG  36   6.440  -4.642   0.071
  282   2HG   ARG  36          1HG       ARG  36   8.065  -4.146  -0.396
  283   1HD   ARG  36          2HD       ARG  36   8.357  -2.966   1.514
  284   2HD   ARG  36          1HD       ARG  36   6.776  -2.197   1.370
  285    HE   ARG  36           HE       ARG  36   5.833  -4.320   2.386
  286   1HH1  ARG  36          2HH1      ARG  36   8.126  -6.103   2.416
  287   2HH1  ARG  36          1HH1      ARG  36   8.817  -5.867   3.987
  288   1HH2  ARG  36          1HH2      ARG  36   7.166  -2.870   4.556
  289   2HH2  ARG  36          2HH2      ARG  36   8.274  -4.038   5.198
  290    H    GLU  37           H        GLU  37   9.798  -3.147  -1.005
  291    HA   GLU  37           HA       GLU  37  10.358  -1.518   1.286
  292   1HB   GLU  37          2HB       GLU  37  11.285  -3.860   0.653
  293   2HB   GLU  37          1HB       GLU  37  12.484  -2.970  -0.285
  294   1HG   GLU  37          2HG       GLU  37  13.621  -3.011   1.705
  295   2HG   GLU  37          1HG       GLU  37  12.628  -1.590   2.028
  296    H    ARG  38           H        ARG  38  12.125  -1.621  -1.837
  297    HA   ARG  38           HA       ARG  38  13.590   0.786  -1.339
  298   1HB   ARG  38          2HB       ARG  38  13.138  -1.034  -3.620
  299   2HB   ARG  38          1HB       ARG  38  13.494   0.631  -4.082
  300   1HG   ARG  38          2HG       ARG  38  15.652  -0.161  -3.874
  301   2HG   ARG  38          1HG       ARG  38  15.378   0.350  -2.209
  302   1HD   ARG  38          2HD       ARG  38  15.294  -1.793  -1.426
  303   2HD   ARG  38          1HD       ARG  38  14.463  -2.391  -2.862
  304    HE   ARG  38           HE       ARG  38  16.613  -2.632  -3.956
  305   1HH1  ARG  38          1HH2      ARG  38  18.774  -1.374  -3.651
  306   2HH1  ARG  38          2HH2      ARG  38  19.560  -1.770  -2.159
  307   1HH2  ARG  38          2HH1      ARG  38  16.738  -3.213  -0.748
  308   2HH2  ARG  38          1HH1      ARG  38  18.407  -2.812  -0.515
  309    H    PHE  39           H        PHE  39  10.406   0.197  -2.697
  310    HA   PHE  39           HA       PHE  39   9.971   2.703  -3.974
  311   1HB   PHE  39          2HB       PHE  39   8.408   0.871  -4.294
  312   2HB   PHE  39          1HB       PHE  39   8.042   0.824  -2.572
  313    HD1  PHE  39           HD1      PHE  39   7.635   2.801  -5.690
  314    HD2  PHE  39           HD2      PHE  39   6.515   2.389  -1.564
  315    HE1  PHE  39           HE1      PHE  39   5.818   4.457  -6.017
  316    HE2  PHE  39           HE2      PHE  39   4.701   4.048  -1.892
  317    HZ   PHE  39           HZ       PHE  39   4.353   5.082  -4.118
  318    H    VAL  40           H        VAL  40   8.634   1.765  -0.797
  319    HA   VAL  40           HA       VAL  40   7.908   4.317   0.074
  320    HB   VAL  40           HB       VAL  40   8.963   2.049   1.788
  321   1HG1  VAL  40          1HG1      VAL  40   7.910   4.691   2.420
  322   2HG1  VAL  40          3HG1      VAL  40   6.913   3.421   3.127
  323   3HG1  VAL  40          2HG1      VAL  40   8.636   3.497   3.488
  324   1HG2  VAL  40          2HG2      VAL  40   6.204   2.675   0.698
  325   2HG2  VAL  40          1HG2      VAL  40   7.167   1.229   0.397
  326   3HG2  VAL  40          3HG2      VAL  40   6.495   1.522   2.000
  327    H    GLN  41           H        GLN  41  11.009   2.662   0.645
  328    HA   GLN  41           HA       GLN  41  12.266   4.616   2.221
  329   1HB   GLN  41          2HB       GLN  41  13.235   2.513   0.338
  330   2HB   GLN  41          1HB       GLN  41  14.395   3.702   0.935
  331   1HG   GLN  41          2HG       GLN  41  12.551   2.439   2.916
  332   2HG   GLN  41          1HG       GLN  41  13.884   1.468   2.295
  333   1HE2  GLN  41          2HE2      GLN  41  14.988   3.524   5.295
  334   2HE2  GLN  41          1HE2      GLN  41  13.658   2.497   5.054
  335    H    GLU  42           H        GLU  42  11.871   4.592  -1.315
  336    HA   GLU  42           HA       GLU  42  13.028   7.348  -1.319
  337   1HB   GLU  42          2HB       GLU  42  13.573   5.097  -3.263
  338   2HB   GLU  42          1HB       GLU  42  13.953   6.783  -3.615
  339   1HG   GLU  42          2HG       GLU  42  14.889   5.746  -0.989
  340   2HG   GLU  42          1HG       GLU  42  15.709   5.113  -2.416
  341    H    VAL  43           H        VAL  43  10.199   6.507  -1.286
  342    HA   VAL  43           HA       VAL  43   9.346   8.066  -3.632
  343    HB   VAL  43           HB       VAL  43   8.185   5.292  -3.223
  344   1HG1  VAL  43          1HG1      VAL  43   7.687   7.598  -5.070
  345   2HG1  VAL  43          3HG1      VAL  43   7.439   5.958  -5.669
  346   3HG1  VAL  43          2HG1      VAL  43   6.529   6.534  -4.272
  347   1HG2  VAL  43          3HG2      VAL  43  10.182   6.316  -5.270
  348   2HG2  VAL  43          2HG2      VAL  43  10.472   5.066  -4.059
  349   3HG2  VAL  43          1HG2      VAL  43   9.345   4.768  -5.382
  350    H    LEU  44           H        LEU  44   8.364   6.253  -0.711
  351    HA   LEU  44           HA       LEU  44   5.743   7.332  -0.502
  352   1HB   LEU  44          2HB       LEU  44   6.569   5.446   0.876
  353   2HB   LEU  44          1HB       LEU  44   7.602   6.560   1.767
  354    HG   LEU  44           HG       LEU  44   5.457   7.878   2.280
  355   1HD1  LEU  44          1HD1      LEU  44   4.250   6.420   0.444
  356   2HD1  LEU  44          3HD1      LEU  44   4.046   5.277   1.771
  357   3HD1  LEU  44          2HD1      LEU  44   3.376   6.903   1.897
  358   1HD2  LEU  44          1HD2      LEU  44   6.631   6.469   3.937
  359   2HD2  LEU  44          3HD2      LEU  44   4.883   6.372   4.150
  360   3HD2  LEU  44          2HD2      LEU  44   5.750   5.056   3.357
  361    HA   PRO  45           HA       PRO  45   7.532  10.849   2.132
  362   1HB   PRO  45          2HB       PRO  45  10.180  11.506   1.850
  363   2HB   PRO  45          1HB       PRO  45   9.556  10.453   3.133
  364   1HG   PRO  45          2HG       PRO  45  11.078   9.729   0.680
  365   2HG   PRO  45          1HG       PRO  45  10.984   8.887   2.236
  366   1HD   PRO  45          2HD       PRO  45   9.614   8.164  -0.114
  367   2HD   PRO  45          1HD       PRO  45   9.278   7.559   1.518
  368    H    LYS  46           H        LYS  46   8.324  10.159  -1.136
  369    HA   LYS  46           HA       LYS  46   8.949  12.860  -1.972
  370   1HB   LYS  46          2HB       LYS  46   9.126  10.297  -3.086
  371   2HB   LYS  46          1HB       LYS  46   7.921  11.119  -4.076
  372   1HG   LYS  46          2HG       LYS  46  10.668  12.224  -3.414
  373   2HG   LYS  46          1HG       LYS  46  10.228  11.457  -4.940
  374   1HD   LYS  46          2HD       LYS  46   8.287  13.217  -4.953
  375   2HD   LYS  46          1HD       LYS  46   9.315  14.087  -3.814
  376   1HE   LYS  46          2HE       LYS  46   9.734  14.788  -6.163
  377   2HE   LYS  46          1HE       LYS  46  11.163  14.062  -5.429
  378   1HZ   LYS  46          3HZ       LYS  46   9.278  12.362  -6.908
  379   2HZ   LYS  46          2HZ       LYS  46  10.387  13.317  -7.773
  380   3HZ   LYS  46          1HZ       LYS  46  10.943  12.158  -6.661
  381    H    TYR  47           H        TYR  47   5.986  11.120  -1.383
  382    HA   TYR  47           HA       TYR  47   4.483  13.348  -2.708
  383   1HB   TYR  47          2HB       TYR  47   3.771  10.419  -2.451
  384   2HB   TYR  47          1HB       TYR  47   2.622  11.655  -2.965
  385    HD1  TYR  47           HD2      TYR  47   5.968  10.198  -3.766
  386    HD2  TYR  47           HD1      TYR  47   2.571  12.398  -5.208
  387    HE1  TYR  47           HE2      TYR  47   6.867  10.075  -6.074
  388    HE2  TYR  47           HE1      TYR  47   3.472  12.274  -7.516
  389    HH   TYR  47           HH       TYR  47   5.713  10.179  -8.502
  390    H    PHE  48           H        PHE  48   5.011  11.635   0.249
  391    HA   PHE  48           HA       PHE  48   2.652  13.032   1.440
  392   1HB   PHE  48          2HB       PHE  48   3.893  10.373   2.192
  393   2HB   PHE  48          1HB       PHE  48   2.666  11.195   3.156
  394    HD1  PHE  48           HD2      PHE  48   3.350   9.753  -0.214
  395    HD2  PHE  48           HD1      PHE  48   0.367  11.085   2.576
  396    HE1  PHE  48           HE2      PHE  48   1.573   8.808  -1.663
  397    HE2  PHE  48           HE1      PHE  48  -1.411  10.142   1.127
  398    HZ   PHE  48           HZ       PHE  48  -0.807   9.003  -0.992
  399    H    LYS  49           H        LYS  49   6.035  12.097   1.859
  400    HA   LYS  49           HA       LYS  49   7.713  12.989   3.226
  401   1HB   LYS  49          2HB       LYS  49   5.761  15.262   3.710
  402   2HB   LYS  49          1HB       LYS  49   7.509  15.302   3.920
  403   1HG   LYS  49          2HG       LYS  49   6.699  14.430   1.232
  404   2HG   LYS  49          1HG       LYS  49   6.154  16.059   1.624
  405   1HD   LYS  49          2HD       LYS  49   8.984  15.266   2.239
  406   2HD   LYS  49          1HD       LYS  49   8.544  15.705   0.589
  407   1HE   LYS  49          2HE       LYS  49   7.893  17.890   1.219
  408   2HE   LYS  49          1HE       LYS  49   7.802  17.461   2.927
  409   1HZ   LYS  49          3HZ       LYS  49  10.303  16.931   2.600
  410   2HZ   LYS  49          2HZ       LYS  49  10.168  17.967   1.261
  411   3HZ   LYS  49          1HZ       LYS  49   9.806  18.538   2.820
  412    H    HIS  50           H        HIS  50   8.018  11.853   5.069
  413    HA   HIS  50           HA       HIS  50   7.724  11.054   7.251
  414   1HB   HIS  50          2HB       HIS  50   6.155  13.639   7.490
  415   2HB   HIS  50          1HB       HIS  50   6.598  12.612   8.851
  416    HD1  HIS  50           HD1      HIS  50   8.228  14.622   6.067
  417    HD2  HIS  50           HD2      HIS  50   9.185  13.014   9.792
  418    HE1  HIS  50           HE1      HIS  50  10.543  15.474   6.642
  419    H    SER  51           H        SER  51   6.434   9.297   6.325
  420    HA   SER  51           HA       SER  51   3.721   9.249   7.466
  421   1HB   SER  51          2HB       SER  51   3.925  10.018   4.844
  422   2HB   SER  51          1HB       SER  51   3.763   8.272   4.675
  423    HG   SER  51           HG       SER  51   2.065   9.982   6.187
  424    H    ASN  52           H        ASN  52   2.813   6.872   6.471
  425    HA   ASN  52           HA       ASN  52   5.040   4.927   6.627
  426   1HB   ASN  52          2HB       ASN  52   3.553   3.599   8.319
  427   2HB   ASN  52          1HB       ASN  52   4.575   4.903   8.915
  428   1HD2  ASN  52          2HD2      ASN  52   1.822   7.046   9.713
  429   2HD2  ASN  52          1HD2      ASN  52   3.482   7.022   9.358
  430    H    PHE  53           H        PHE  53   4.574   2.934   5.691
  431    HA   PHE  53           HA       PHE  53   2.719   2.880   3.555
  432   1HB   PHE  53          2HB       PHE  53   4.805   1.304   4.338
  433   2HB   PHE  53          1HB       PHE  53   3.442   0.255   4.725
  434    HD1  PHE  53           HD1      PHE  53   4.195   2.707   1.980
  435    HD2  PHE  53           HD2      PHE  53   3.010  -1.285   3.030
  436    HE1  PHE  53           HE1      PHE  53   3.954   2.148  -0.423
  437    HE2  PHE  53           HE2      PHE  53   2.768  -1.845   0.626
  438    HZ   PHE  53           HZ       PHE  53   3.239  -0.127  -1.101
  439    H    ALA  54           H        ALA  54   2.337   1.984   6.923
  440    HA   ALA  54           HA       ALA  54  -0.020   0.382   6.685
  441   1HB   ALA  54          1HB       ALA  54   1.549   0.955   8.753
  442   2HB   ALA  54          3HB       ALA  54   0.346   2.213   9.028
  443   3HB   ALA  54          2HB       ALA  54  -0.142   0.519   8.999
  444    H    SER  55           H        SER  55   0.435   3.889   7.089
  445    HA   SER  55           HA       SER  55  -2.357   4.548   7.239
  446   1HB   SER  55          2HB       SER  55  -1.634   6.838   6.738
  447   2HB   SER  55          1HB       SER  55  -0.533   6.106   7.902
  448    HG   SER  55           HG       SER  55   0.769   6.959   6.374
  449    H    PHE  56           H        PHE  56  -0.078   4.201   4.550
  450    HA   PHE  56           HA       PHE  56  -1.780   5.183   2.475
  451   1HB   PHE  56          2HB       PHE  56   0.744   4.526   2.412
  452   2HB   PHE  56          1HB       PHE  56   0.146   2.907   2.046
  453    HD1  PHE  56           HD2      PHE  56  -1.477   2.632   0.082
  454    HD2  PHE  56           HD1      PHE  56   0.846   6.185   0.729
  455    HE1  PHE  56           HE2      PHE  56  -1.826   3.288  -2.283
  456    HE2  PHE  56           HE1      PHE  56   0.498   6.843  -1.637
  457    HZ   PHE  56           HZ       PHE  56  -0.838   5.394  -3.143
  458    H    VAL  57           H        VAL  57  -1.523   2.002   4.005
  459    HA   VAL  57           HA       VAL  57  -3.204   0.584   2.161
  460    HB   VAL  57           HB       VAL  57  -3.012  -0.007   5.124
  461   1HG1  VAL  57          2HG1      VAL  57  -3.687  -1.515   2.618
  462   2HG1  VAL  57          1HG1      VAL  57  -2.991  -2.387   3.985
  463   3HG1  VAL  57          3HG1      VAL  57  -4.513  -1.514   4.176
  464   1HG2  VAL  57          1HG2      VAL  57  -0.903  -0.060   3.056
  465   2HG2  VAL  57          3HG2      VAL  57  -0.756  -0.086   4.813
  466   3HG2  VAL  57          2HG2      VAL  57  -1.086  -1.578   3.935
  467    H    ARG  58           H        ARG  58  -3.869   2.396   5.141
  468    HA   ARG  58           HA       ARG  58  -6.643   1.808   5.357
  469   1HB   ARG  58          2HB       ARG  58  -4.914   3.224   6.862
  470   2HB   ARG  58          1HB       ARG  58  -5.738   4.556   6.055
  471   1HG   ARG  58          2HG       ARG  58  -7.394   4.334   7.570
  472   2HG   ARG  58          1HG       ARG  58  -7.803   2.806   6.797
  473   1HD   ARG  58          2HD       ARG  58  -5.602   2.211   8.440
  474   2HD   ARG  58          1HD       ARG  58  -6.619   3.279   9.407
  475    HE   ARG  58           HE       ARG  58  -8.466   1.532   8.471
  476   1HH1  ARG  58          2HH1      ARG  58  -5.869  -0.170   8.056
  477   2HH1  ARG  58          1HH1      ARG  58  -5.955  -1.177   9.463
  478   1HH2  ARG  58          1HH2      ARG  58  -8.349   0.777  11.037
  479   2HH2  ARG  58          2HH2      ARG  58  -7.360  -0.640  11.152
  480    H    GLN  59           H        GLN  59  -5.012   4.496   3.636
  481    HA   GLN  59           HA       GLN  59  -7.346   5.828   2.730
  482   1HB   GLN  59          2HB       GLN  59  -4.554   5.608   1.620
  483   2HB   GLN  59          1HB       GLN  59  -5.805   6.491   0.748
  484   1HG   GLN  59          2HG       GLN  59  -4.964   8.208   2.037
  485   2HG   GLN  59          1HG       GLN  59  -6.197   7.593   3.138
  486   1HE2  GLN  59          2HE2      GLN  59  -3.828   6.788   5.601
  487   2HE2  GLN  59          1HE2      GLN  59  -5.438   7.159   5.208
  488    H    LEU  60           H        LEU  60  -5.481   3.228   1.130
  489    HA   LEU  60           HA       LEU  60  -7.037   3.074  -1.238
  490   1HB   LEU  60          2HB       LEU  60  -5.584   0.863   0.242
  491   2HB   LEU  60          1HB       LEU  60  -6.166   0.756  -1.419
  492    HG   LEU  60           HG       LEU  60  -4.322   2.979  -0.543
  493   1HD1  LEU  60          3HD1      LEU  60  -3.707   0.120  -1.163
  494   2HD1  LEU  60          2HD1      LEU  60  -2.627   1.352  -1.817
  495   3HD1  LEU  60          1HD1      LEU  60  -2.881   1.235  -0.075
  496   1HD2  LEU  60          1HD2      LEU  60  -5.753   2.700  -2.807
  497   2HD2  LEU  60          3HD2      LEU  60  -4.151   3.437  -2.793
  498   3HD2  LEU  60          2HD2      LEU  60  -4.338   1.746  -3.258
  499    H    ASN  61           H        ASN  61  -7.549   1.578   1.936
  500    HA   ASN  61           HA       ASN  61  -9.781  -0.057   1.062
  501   1HB   ASN  61          2HB       ASN  61  -8.184  -0.112   3.244
  502   2HB   ASN  61          1HB       ASN  61  -9.583   0.723   3.921
  503   1HD2  ASN  61          2HD2      ASN  61  -9.817  -3.239   3.102
  504   2HD2  ASN  61          1HD2      ASN  61  -8.385  -2.363   2.850
  505    H    MET  62           H        MET  62  -9.461   3.264   2.052
  506    HA   MET  62           HA       MET  62 -12.321   3.512   2.699
  507   1HB   MET  62          2HB       MET  62  -9.914   5.248   2.893
  508   2HB   MET  62          1HB       MET  62 -11.465   6.062   2.692
  509   1HG   MET  62          2HG       MET  62 -11.114   3.881   4.744
  510   2HG   MET  62          1HG       MET  62 -10.674   5.550   5.108
  511   1HE   MET  62          3HE       MET  62 -11.926   5.907   6.845
  512   2HE   MET  62          2HE       MET  62 -12.622   7.317   6.048
  513   3HE   MET  62          1HE       MET  62 -13.666   6.213   6.940
  514    H    TYR  63           H        TYR  63 -11.111   2.987  -0.176
  515    HA   TYR  63           HA       TYR  63 -12.850   5.039  -1.472
  516   1HB   TYR  63          2HB       TYR  63 -10.086   4.153  -2.321
  517   2HB   TYR  63          1HB       TYR  63 -11.191   5.017  -3.391
  518    HD1  TYR  63           HD2      TYR  63 -12.409   7.099  -2.074
  519    HD2  TYR  63           HD1      TYR  63  -8.523   5.479  -1.260
  520    HE1  TYR  63           HE2      TYR  63 -11.735   9.247  -1.030
  521    HE2  TYR  63           HE1      TYR  63  -7.842   7.624  -0.213
  522    HH   TYR  63           HH       TYR  63  -9.265  10.419  -0.671
  523    H    GLY  64           H        GLY  64 -11.152   1.930  -1.962
  524   1HA   GLY  64          2HA       GLY  64 -13.165   0.226  -2.548
  525   2HA   GLY  64          1HA       GLY  64 -13.108   1.169  -4.037
  526    H    TRP  65           H        TRP  65 -10.456   0.050  -1.931
  527    HA   TRP  65           HA       TRP  65  -9.392  -1.496  -4.265
  528   1HB   TRP  65          2HB       TRP  65  -7.942   0.262  -2.275
  529   2HB   TRP  65          1HB       TRP  65  -7.102  -0.943  -3.251
  530    HD1  TRP  65           HD1      TRP  65  -7.871   2.562  -3.321
  531    HE1  TRP  65           HE1      TRP  65  -7.867   3.514  -5.717
  532    HE3  TRP  65           HE3      TRP  65  -8.037  -1.785  -5.999
  533    HZ2  TRP  65           HZ2      TRP  65  -7.926   2.558  -8.414
  534    HZ3  TRP  65           HZ3      TRP  65  -8.063  -1.734  -8.477
  535    HH2  TRP  65           HH2      TRP  65  -8.008   0.429  -9.686
  536    H    HIS  66           H        HIS  66  -8.919  -3.619  -3.794
  537    HA   HIS  66           HA       HIS  66  -8.534  -4.385  -0.944
  538   1HB   HIS  66          2HB       HIS  66 -10.468  -5.807  -2.799
  539   2HB   HIS  66          1HB       HIS  66 -10.144  -6.204  -1.111
  540    HD1  HIS  66           HD1      HIS  66 -11.586  -3.389  -3.222
  541    HD2  HIS  66           HD2      HIS  66 -11.657  -4.745   0.720
  542    HE1  HIS  66           HE1      HIS  66 -13.289  -1.964  -2.005
  543    H    LYS  67           H        LYS  67  -7.298  -6.291  -0.676
  544    HA   LYS  67           HA       LYS  67  -5.618  -6.996  -2.989
  545   1HB   LYS  67          2HB       LYS  67  -5.569  -7.543  -0.039
  546   2HB   LYS  67          1HB       LYS  67  -4.665  -8.612  -1.113
  547   1HG   LYS  67          2HG       LYS  67  -3.856  -6.274  -2.130
  548   2HG   LYS  67          1HG       LYS  67  -4.215  -5.729  -0.491
  549   1HD   LYS  67          2HD       LYS  67  -2.505  -8.155  -1.083
  550   2HD   LYS  67          1HD       LYS  67  -1.836  -6.539  -0.850
  551   1HE   LYS  67          2HE       LYS  67  -2.312  -6.515   1.400
  552   2HE   LYS  67          1HE       LYS  67  -3.750  -7.520   1.213
  553   1HZ   LYS  67          1HZ       LYS  67  -2.172  -9.382   0.668
  554   2HZ   LYS  67          3HZ       LYS  67  -0.916  -8.380   1.213
  555   3HZ   LYS  67          2HZ       LYS  67  -2.152  -8.848   2.281
  556    H    VAL  68           H        VAL  68  -7.129  -8.126  -4.322
  557    HA   VAL  68           HA       VAL  68  -8.539  -9.872  -5.012
  558    HB   VAL  68           HB       VAL  68  -7.495 -12.195  -4.334
  559   1HG1  VAL  68          2HG1      VAL  68  -6.392 -10.066  -6.147
  560   2HG1  VAL  68          1HG1      VAL  68  -5.621 -11.650  -6.058
  561   3HG1  VAL  68          3HG1      VAL  68  -7.306 -11.516  -6.562
  562   1HG2  VAL  68          2HG2      VAL  68  -5.277 -10.243  -3.630
  563   2HG2  VAL  68          1HG2      VAL  68  -6.050 -11.381  -2.527
  564   3HG2  VAL  68          3HG2      VAL  68  -5.059 -11.977  -3.858
  565    H    GLN  69           H        GLN  69 -10.470  -9.612  -3.905
  566    HA   GLN  69           HA       GLN  69 -10.742 -10.864  -1.231
  567   1HB   GLN  69          2HB       GLN  69 -11.738  -8.534  -2.161
  568   2HB   GLN  69          1HB       GLN  69 -13.079  -9.603  -2.573
  569   1HG   GLN  69          2HG       GLN  69 -13.601  -8.927  -0.381
  570   2HG   GLN  69          1HG       GLN  69 -12.820 -10.490  -0.139
  571   1HE2  GLN  69          2HE2      GLN  69 -10.823  -7.071   0.960
  572   2HE2  GLN  69          1HE2      GLN  69 -12.122  -6.964  -0.128
  573    H    ASP  70           H        ASP  70 -10.276 -12.831  -3.005
  574    HA   ASP  70           HA       ASP  70 -12.913 -13.889  -3.892
  575   1HB   ASP  70          2HB       ASP  70 -10.478 -13.882  -5.160
  576   2HB   ASP  70          1HB       ASP  70 -10.487 -15.489  -4.435
  577    H    VAL  71           H        VAL  71  -9.975 -15.332  -2.432
  578    HA   VAL  71           HA       VAL  71 -11.574 -16.459  -0.238
  579    HB   VAL  71           HB       VAL  71 -10.728 -18.805  -0.761
  580   1HG1  VAL  71          3HG1      VAL  71 -13.073 -17.774  -1.250
  581   2HG1  VAL  71          2HG1      VAL  71 -12.556 -17.811  -2.937
  582   3HG1  VAL  71          1HG1      VAL  71 -12.649 -19.309  -2.010
  583   1HG2  VAL  71          2HG2      VAL  71  -9.017 -18.085  -2.431
  584   2HG2  VAL  71          1HG2      VAL  71 -10.131 -19.280  -3.090
  585   3HG2  VAL  71          3HG2      VAL  71 -10.316 -17.577  -3.508
  586    H    LYS  72           H        LYS  72 -10.318 -16.348   1.547
  587    HA   LYS  72           HA       LYS  72  -7.578 -15.526   1.447
  588   1HB   LYS  72          2HB       LYS  72  -7.587 -16.007   3.894
  589   2HB   LYS  72          1HB       LYS  72  -8.974 -15.043   3.390
  590   1HG   LYS  72          2HG       LYS  72 -10.245 -16.594   4.443
  591   2HG   LYS  72          1HG       LYS  72  -9.890 -17.643   3.071
  592   1HD   LYS  72          2HD       LYS  72  -9.217 -18.968   4.878
  593   2HD   LYS  72          1HD       LYS  72  -7.701 -18.201   4.407
  594   1HE   LYS  72          2HE       LYS  72  -7.579 -16.981   6.321
  595   2HE   LYS  72          1HE       LYS  72  -9.307 -16.630   6.320
  596   1HZ   LYS  72          1HZ       LYS  72  -8.111 -19.237   7.086
  597   2HZ   LYS  72          3HZ       LYS  72  -8.623 -18.048   8.183
  598   3HZ   LYS  72          2HZ       LYS  72  -9.754 -18.814   7.173
  599    H    SER  73           H        SER  73  -5.698 -16.710   1.456
  600    HA   SER  73           HA       SER  73  -5.698 -19.437   0.627
  601   1HB   SER  73          2HB       SER  73  -3.753 -18.122   0.163
  602   2HB   SER  73          1HB       SER  73  -3.560 -17.685   1.858
  603    HG   SER  73           HG       SER  73  -3.416 -20.333   0.837
  604    H    GLY  74           H        GLY  74  -4.302 -18.287   3.708
  605   1HA   GLY  74          2HA       GLY  74  -5.270 -19.169   5.851
  606   2HA   GLY  74          1HA       GLY  74  -5.473 -20.710   5.016
  607    H    SER  75           H        SER  75  -3.217 -21.359   3.886
  608    HA   SER  75           HA       SER  75  -1.219 -21.275   6.095
  609   1HB   SER  75          2HB       SER  75  -1.907 -23.529   5.554
  610   2HB   SER  75          1HB       SER  75  -1.645 -23.252   3.835
  611    HG   SER  75           HG       SER  75   0.262 -23.396   5.923
  612    H    MET  76           H        MET  76  -0.307 -22.159   2.794
  613    HA   MET  76           HA       MET  76   1.359 -21.256   1.419
  614   1HB   MET  76          2HB       MET  76  -0.663 -19.228   1.942
  615   2HB   MET  76          1HB       MET  76   0.900 -18.488   1.608
  616   1HG   MET  76          2HG       MET  76  -0.261 -18.796  -0.500
  617   2HG   MET  76          1HG       MET  76   1.081 -19.940  -0.436
  618   1HE   MET  76          3HE       MET  76  -0.937 -19.899  -2.316
  619   2HE   MET  76          2HE       MET  76  -0.674 -21.630  -2.514
  620   3HE   MET  76          1HE       MET  76  -2.305 -21.018  -2.247
  621    H    LEU  77           H        LEU  77   3.242 -21.718   2.624
  622    HA   LEU  77           HA       LEU  77   4.154 -20.202   4.868
  623   1HB   LEU  77          2HB       LEU  77   5.168 -22.329   3.163
  624   2HB   LEU  77          1HB       LEU  77   6.446 -21.174   3.540
  625    HG   LEU  77           HG       LEU  77   5.556 -21.355   5.987
  626   1HD1  LEU  77          1HD1      LEU  77   3.631 -22.893   4.858
  627   2HD1  LEU  77          3HD1      LEU  77   4.799 -24.142   5.292
  628   3HD1  LEU  77          2HD1      LEU  77   4.147 -23.073   6.534
  629   1HD2  LEU  77          3HD2      LEU  77   7.747 -22.211   5.108
  630   2HD2  LEU  77          2HD2      LEU  77   7.082 -23.201   6.408
  631   3HD2  LEU  77          1HD2      LEU  77   6.951 -23.740   4.734
  632    H    SER  78           H        SER  78   5.581 -18.447   4.994
  633    HA   SER  78           HA       SER  78   6.593 -16.447   4.318
  634   1HB   SER  78          2HB       SER  78   6.904 -17.452   1.519
  635   2HB   SER  78          1HB       SER  78   8.043 -16.559   2.519
  636    HG   SER  78           HG       SER  78   8.857 -18.520   2.694
  637    H    ASN  79           H        ASN  79   4.351 -15.575   4.516
  638    HA   ASN  79           HA       ASN  79   3.139 -14.908   1.866
  639   1HB   ASN  79          2HB       ASN  79   1.096 -14.350   3.205
  640   2HB   ASN  79          1HB       ASN  79   1.578 -16.040   3.355
  641   1HD2  ASN  79          2HD2      ASN  79   1.656 -13.627   6.625
  642   2HD2  ASN  79          1HD2      ASN  79   1.224 -13.018   5.101
  643    H    ASN  80           H        ASN  80   2.148 -12.655   1.811
  644    HA   ASN  80           HA       ASN  80   2.445 -10.332   1.913
  645   1HB   ASN  80          2HB       ASN  80   3.041 -11.267   4.693
  646   2HB   ASN  80          1HB       ASN  80   3.440  -9.602   4.273
  647   1HD2  ASN  80          2HD2      ASN  80  -0.238 -10.124   5.363
  648   2HD2  ASN  80          1HD2      ASN  80   1.165 -10.855   5.979
  649    H    ASP  81           H        ASP  81   4.465 -11.701   0.588
  650    HA   ASP  81           HA       ASP  81   7.097 -10.992   1.573
  651   1HB   ASP  81          2HB       ASP  81   6.175 -12.710  -0.350
  652   2HB   ASP  81          1HB       ASP  81   6.776 -11.383  -1.343
  653    H    SER  82           H        SER  82   8.286  -9.838  -0.727
  654    HA   SER  82           HA       SER  82   7.582  -7.046  -0.304
  655   1HB   SER  82          2HB       SER  82   9.864  -8.408  -1.108
  656   2HB   SER  82          1HB       SER  82   9.350  -7.582  -2.575
  657    HG   SER  82           HG       SER  82   9.405  -5.648  -1.478
  658    H    ARG  83           H        ARG  83   6.208  -9.386  -2.303
  659    HA   ARG  83           HA       ARG  83   5.642  -7.493  -4.514
  660   1HB   ARG  83          2HB       ARG  83   5.552 -10.424  -4.143
  661   2HB   ARG  83          1HB       ARG  83   4.224  -9.768  -5.099
  662   1HG   ARG  83          2HG       ARG  83   6.111  -8.442  -6.338
  663   2HG   ARG  83          1HG       ARG  83   7.179  -9.667  -5.654
  664   1HD   ARG  83          2HD       ARG  83   5.906 -11.447  -6.701
  665   2HD   ARG  83          1HD       ARG  83   4.689 -10.301  -7.261
  666    HE   ARG  83           HE       ARG  83   7.365  -9.680  -8.239
  667   1HH1  ARG  83          1HH2      ARG  83   4.622  -9.364  -9.612
  668   2HH1  ARG  83          2HH2      ARG  83   4.779 -10.512 -10.900
  669   1HH2  ARG  83          2HH1      ARG  83   7.522 -12.108  -9.505
  670   2HH2  ARG  83          1HH1      ARG  83   6.419 -12.063 -10.840
  671    H    TRP  84           H        TRP  84   3.853  -6.240  -4.403
  672    HA   TRP  84           HA       TRP  84   1.514  -7.235  -2.823
  673   1HB   TRP  84          2HB       TRP  84   2.522  -4.383  -3.069
  674   2HB   TRP  84          1HB       TRP  84   1.050  -4.868  -2.228
  675    HD1  TRP  84           HD1      TRP  84   4.754  -6.024  -2.144
  676    HE1  TRP  84           HE1      TRP  84   5.437  -6.325   0.321
  677    HE3  TRP  84           HE3      TRP  84   0.370  -4.751   0.148
  678    HZ2  TRP  84           HZ2      TRP  84   4.282  -6.059   2.923
  679    HZ3  TRP  84           HZ3      TRP  84   0.190  -4.783   2.620
  680    HH2  TRP  84           HH2      TRP  84   2.139  -5.435   4.009
  681    H    GLU  85           H        GLU  85  -0.340  -7.343  -4.028
  682    HA   GLU  85           HA       GLU  85  -0.464  -5.708  -6.536
  683   1HB   GLU  85          2HB       GLU  85  -0.983  -8.606  -6.055
  684   2HB   GLU  85          1HB       GLU  85  -2.050  -7.770  -7.185
  685   1HG   GLU  85          2HG       GLU  85  -0.030  -6.925  -8.394
  686   2HG   GLU  85          1HG       GLU  85   0.975  -7.905  -7.324
  687    H    PHE  86           H        PHE  86  -2.079  -4.235  -6.361
  688    HA   PHE  86           HA       PHE  86  -4.394  -4.854  -4.581
  689   1HB   PHE  86          2HB       PHE  86  -3.831  -2.149  -5.803
  690   2HB   PHE  86          1HB       PHE  86  -4.763  -2.525  -4.359
  691    HD1  PHE  86           HD2      PHE  86  -2.860  -4.421  -2.982
  692    HD2  PHE  86           HD1      PHE  86  -2.168  -0.688  -4.998
  693    HE1  PHE  86           HE2      PHE  86  -0.830  -4.048  -1.606
  694    HE2  PHE  86           HE1      PHE  86  -0.143  -0.319  -3.615
  695    HZ   PHE  86           HZ       PHE  86   0.524  -1.999  -1.920
  696    H    GLU  87           H        GLU  87  -6.191  -5.550  -5.608
  697    HA   GLU  87           HA       GLU  87  -6.648  -4.626  -8.416
  698   1HB   GLU  87          2HB       GLU  87  -6.739  -7.289  -7.182
  699   2HB   GLU  87          1HB       GLU  87  -8.205  -6.904  -8.084
  700   1HG   GLU  87          2HG       GLU  87  -6.972  -7.653  -9.858
  701   2HG   GLU  87          1HG       GLU  87  -6.339  -6.007  -9.833
  702    H    ASN  88           H        ASN  88  -9.019  -4.581  -9.000
  703    HA   ASN  88           HA       ASN  88 -10.477  -3.072  -6.976
  704   1HB   ASN  88          2HB       ASN  88 -10.495  -2.641  -9.496
  705   2HB   ASN  88          1HB       ASN  88 -11.546  -4.051  -9.629
  706   1HD2  ASN  88          2HD2      ASN  88 -14.308  -1.951  -9.035
  707   2HD2  ASN  88          1HD2      ASN  88 -13.583  -3.114 -10.034
  708    H    GLU  89           H        GLU  89 -12.708  -3.636  -6.337
  709    HA   GLU  89           HA       GLU  89 -12.899  -6.431  -5.507
  710   1HB   GLU  89          2HB       GLU  89 -13.639  -4.371  -4.164
  711   2HB   GLU  89          1HB       GLU  89 -15.046  -4.324  -5.225
  712   1HG   GLU  89          2HG       GLU  89 -15.396  -6.791  -4.606
  713   2HG   GLU  89          1HG       GLU  89 -14.231  -6.512  -3.310
  714    H    ARG  90           H        ARG  90 -14.101  -4.527  -8.149
  715    HA   ARG  90           HA       ARG  90 -15.450  -5.071  -9.960
  716   1HB   ARG  90          2HB       ARG  90 -13.991  -7.043 -10.124
  717   2HB   ARG  90          1HB       ARG  90 -14.999  -7.908  -8.972
  718   1HG   ARG  90          2HG       ARG  90 -16.946  -7.472 -10.594
  719   2HG   ARG  90          1HG       ARG  90 -15.712  -7.012 -11.766
  720   1HD   ARG  90          2HD       ARG  90 -15.759  -9.245 -12.267
  721   2HD   ARG  90          1HD       ARG  90 -14.662  -9.350 -10.890
  722    HE   ARG  90           HE       ARG  90 -17.293  -9.510  -9.864
  723   1HH1  ARG  90          1HH2      ARG  90 -14.701 -11.435 -10.358
  724   2HH1  ARG  90          2HH2      ARG  90 -15.571 -12.892 -10.707
  725   1HH2  ARG  90          2HH1      ARG  90 -18.636 -11.301 -11.008
  726   2HH2  ARG  90          1HH1      ARG  90 -17.799 -12.816 -11.076
  727    H    HIS  91           H        HIS  91 -16.817  -7.873  -8.282
  728    HA   HIS  91           HA       HIS  91 -19.016  -6.345  -7.125
  729   1HB   HIS  91          2HB       HIS  91 -19.295  -6.722  -9.775
  730   2HB   HIS  91          1HB       HIS  91 -19.943  -8.261  -9.208
  731    HD1  HIS  91           HD1      HIS  91 -21.879  -8.022  -7.294
  732    HD2  HIS  91           HD2      HIS  91 -21.090  -4.621  -9.570
  733    HE1  HIS  91           HE1      HIS  91 -23.862  -6.479  -6.986
  734    H    ALA  92           HN       ALA  92 -19.337  -7.460  -5.264
  735    HA   ALA  92           HA       ALA  92 -19.588  -9.253  -3.769
  736   1HB   ALA  92          2HB       ALA  92 -21.425  -9.720  -5.488
  737   2HB   ALA  92          1HB       ALA  92 -20.318 -10.891  -6.204
  738   3HB   ALA  92          3HB       ALA  92 -20.876 -11.105  -4.544
   
  No H/Q in entry =         738
  Start of MODEL          10
 Raw file had  756 H/Q atoms
  Start of MODEL   10
    1   1H    ALA   1          3H        ALA   1 -12.666  17.433  -9.630
    2   2H    ALA   1          2H        ALA   1 -14.213  18.086  -9.888
    3   3H    ALA   1          1H        ALA   1 -13.441  18.289  -8.388
    4    HA   ALA   1           HA       ALA   1 -14.914  16.600  -7.922
    5   1HB   ALA   1          1HB       ALA   1 -14.197  15.473 -10.647
    6   2HB   ALA   1          3HB       ALA   1 -15.329  14.740  -9.511
    7   3HB   ALA   1          2HB       ALA   1 -15.697  16.305 -10.236
    8    H    ARG   2           H        ARG   2 -14.437  14.118  -7.534
    9    HA   ARG   2           HA       ARG   2 -12.979  12.513  -6.647
   10   1HB   ARG   2          2HB       ARG   2 -11.739  13.467  -9.036
   11   2HB   ARG   2          1HB       ARG   2 -10.471  13.321  -7.820
   12   1HG   ARG   2          2HG       ARG   2 -10.484  11.154  -8.616
   13   2HG   ARG   2          1HG       ARG   2 -11.699  10.999  -7.347
   14   1HD   ARG   2          2HD       ARG   2 -12.714  10.030  -9.260
   15   2HD   ARG   2          1HD       ARG   2 -13.413  11.647  -9.161
   16    HE   ARG   2           HE       ARG   2 -11.454  12.211 -10.843
   17   1HH1  ARG   2          1HH2      ARG   2 -10.908   9.205 -11.081
   18   2HH1  ARG   2          2HH2      ARG   2 -11.769   8.832 -12.537
   19   1HH2  ARG   2          2HH1      ARG   2 -13.596  11.780 -12.522
   20   2HH2  ARG   2          1HH1      ARG   2 -13.292  10.292 -13.354
   21    HA   PRO   3           HA       PRO   3 -10.996  14.788  -3.478
   22   1HB   PRO   3          2HB       PRO   3  -9.723  12.786  -2.101
   23   2HB   PRO   3          1HB       PRO   3 -11.471  13.069  -2.021
   24   1HG   PRO   3          2HG       PRO   3  -9.986  10.910  -3.421
   25   2HG   PRO   3          1HG       PRO   3 -11.653  10.922  -2.821
   26   1HD   PRO   3          2HD       PRO   3 -10.840  11.271  -5.515
   27   2HD   PRO   3          1HD       PRO   3 -12.465  11.546  -4.860
   28    H    ALA   4           H        ALA   4  -8.820  15.355  -2.613
   29    HA   ALA   4           HA       ALA   4  -6.850  15.610  -4.667
   30   1HB   ALA   4          1HB       ALA   4  -6.911  16.115  -1.711
   31   2HB   ALA   4          3HB       ALA   4  -5.364  16.165  -2.556
   32   3HB   ALA   4          2HB       ALA   4  -6.664  17.256  -3.033
   33    H    PHE   5           H        PHE   5  -7.450  13.060  -2.355
   34    HA   PHE   5           HA       PHE   5  -4.764  11.963  -2.407
   35   1HB   PHE   5          2HB       PHE   5  -6.423  11.497  -0.590
   36   2HB   PHE   5          1HB       PHE   5  -7.342  10.518  -1.736
   37    HD1  PHE   5           HD2      PHE   5  -4.091  10.851   0.015
   38    HD2  PHE   5           HD1      PHE   5  -6.596   8.334  -2.398
   39    HE1  PHE   5           HE2      PHE   5  -2.565   8.936   0.429
   40    HE2  PHE   5           HE1      PHE   5  -5.072   6.422  -1.994
   41    HZ   PHE   5           HZ       PHE   5  -3.055   6.723  -0.579
   42    H    VAL   6           H        VAL   6  -7.830  10.924  -4.029
   43    HA   VAL   6           HA       VAL   6  -6.581   8.842  -5.541
   44    HB   VAL   6           HB       VAL   6  -8.994  10.453  -6.417
   45   1HG1  VAL   6          1HG1      VAL   6  -7.926   7.681  -7.030
   46   2HG1  VAL   6          3HG1      VAL   6  -9.570   8.186  -7.430
   47   3HG1  VAL   6          2HG1      VAL   6  -8.192   9.007  -8.160
   48   1HG2  VAL   6          3HG2      VAL   6  -8.788   9.173  -3.998
   49   2HG2  VAL   6          2HG2      VAL   6 -10.297   9.357  -4.890
   50   3HG2  VAL   6          1HG2      VAL   6  -9.371   7.863  -5.025
   51    H    ASN   7           H        ASN   7  -6.861  12.312  -6.082
   52    HA   ASN   7           HA       ASN   7  -5.971  12.306  -8.832
   53   1HB   ASN   7          2HB       ASN   7  -5.943  14.380  -6.628
   54   2HB   ASN   7          1HB       ASN   7  -5.222  14.706  -8.204
   55   1HD2  ASN   7          1HD2      ASN   7  -6.823  14.038 -10.121
   56   2HD2  ASN   7          2HD2      ASN   7  -8.435  14.527  -9.909
   57    H    LYS   8           H        LYS   8  -4.399  12.345  -5.690
   58    HA   LYS   8           HA       LYS   8  -1.697  12.701  -6.634
   59   1HB   LYS   8          2HB       LYS   8  -2.040  13.185  -4.348
   60   2HB   LYS   8          1HB       LYS   8  -3.004  11.742  -4.088
   61   1HG   LYS   8          2HG       LYS   8  -0.242  11.164  -4.929
   62   2HG   LYS   8          1HG       LYS   8  -0.347  12.027  -3.393
   63   1HD   LYS   8          2HD       LYS   8  -1.668  10.329  -2.392
   64   2HD   LYS   8          1HD       LYS   8  -2.086   9.621  -3.949
   65   1HE   LYS   8          2HE       LYS   8   0.719   9.530  -3.864
   66   2HE   LYS   8          1HE       LYS   8   0.199   9.070  -2.241
   67   1HZ   LYS   8          3HZ       LYS   8  -1.490   7.617  -3.541
   68   2HZ   LYS   8          2HZ       LYS   8  -0.375   7.773  -4.813
   69   3HZ   LYS   8          1HZ       LYS   8   0.106   7.078  -3.340
   70    H    LEU   9           H        LEU   9  -3.897   9.983  -6.421
   71    HA   LEU   9           HA       LEU   9  -1.953   7.871  -6.552
   72   1HB   LEU   9          2HB       LEU   9  -4.491   7.762  -5.983
   73   2HB   LEU   9          1HB       LEU   9  -4.719   7.685  -7.730
   74    HG   LEU   9           HG       LEU   9  -3.157   5.753  -7.810
   75   1HD1  LEU   9          1HD1      LEU   9  -3.007   6.405  -4.908
   76   2HD1  LEU   9          3HD1      LEU   9  -3.032   4.693  -5.331
   77   3HD1  LEU   9          2HD1      LEU   9  -1.767   5.741  -5.973
   78   1HD2  LEU   9          3HD2      LEU   9  -5.570   5.522  -5.994
   79   2HD2  LEU   9          2HD2      LEU   9  -5.533   5.297  -7.743
   80   3HD2  LEU   9          1HD2      LEU   9  -4.726   4.138  -6.687
   81    H    TRP  10           H        TRP  10  -3.594   9.835  -8.999
   82    HA   TRP  10           HA       TRP  10  -2.402   8.242 -11.182
   83   1HB   TRP  10          2HB       TRP  10  -3.917  10.844 -11.503
   84   2HB   TRP  10          1HB       TRP  10  -3.709   9.555 -12.683
   85    HD1  TRP  10           HD1      TRP  10  -6.333  10.896 -10.779
   86    HE1  TRP  10           HE1      TRP  10  -8.113   9.155 -10.117
   87    HE3  TRP  10           HE3      TRP  10  -3.717   6.592 -11.611
   88    HZ2  TRP  10           HZ2      TRP  10  -8.390   6.313  -9.950
   89    HZ3  TRP  10           HZ3      TRP  10  -4.760   4.384 -11.195
   90    HH2  TRP  10           HH2      TRP  10  -7.092   4.237 -10.367
   91    H    SER  11           H        SER  11  -0.276   8.962 -10.010
   92    HA   SER  11           HA       SER  11   1.149  10.739 -11.733
   93   1HB   SER  11          2HB       SER  11  -0.296  12.211  -9.968
   94   2HB   SER  11          1HB       SER  11   1.139  11.908  -8.992
   95    HG   SER  11           HG       SER  11   1.035  13.020 -11.606
   96    H    MET  12           H        MET  12   0.868   9.357  -8.498
   97    HA   MET  12           HA       MET  12   3.761   8.864  -8.311
   98   1HB   MET  12          2HB       MET  12   1.861   9.339  -6.427
   99   2HB   MET  12          1HB       MET  12   1.877   7.576  -6.409
  100   1HG   MET  12          2HG       MET  12   4.575   8.717  -6.494
  101   2HG   MET  12          1HG       MET  12   3.667   9.244  -5.079
  102   1HE   MET  12          1HE       MET  12   2.161   7.847  -3.917
  103   2HE   MET  12          3HE       MET  12   1.753   6.265  -4.597
  104   3HE   MET  12          2HE       MET  12   2.712   6.376  -3.123
  105    H    VAL  13           H        VAL  13   0.749   7.142  -8.957
  106    HA   VAL  13           HA       VAL  13   2.047   4.515  -9.027
  107    HB   VAL  13           HB       VAL  13  -0.665   5.258 -10.151
  108   1HG1  VAL  13          2HG1      VAL  13   0.841   2.766  -9.634
  109   2HG1  VAL  13          1HG1      VAL  13  -0.831   2.747  -9.072
  110   3HG1  VAL  13          3HG1      VAL  13  -0.475   3.074 -10.767
  111   1HG2  VAL  13          1HG2      VAL  13  -0.445   6.021  -7.789
  112   2HG2  VAL  13          3HG2      VAL  13  -1.588   4.690  -7.959
  113   3HG2  VAL  13          2HG2      VAL  13   0.026   4.384  -7.328
  114    H    ASN  14           H        ASN  14   1.568   7.139 -11.249
  115    HA   ASN  14           HA       ASN  14   1.499   5.708 -13.701
  116   1HB   ASN  14          2HB       ASN  14   1.075   8.179 -13.375
  117   2HB   ASN  14          1HB       ASN  14   2.814   8.409 -13.287
  118   1HD2  ASN  14          2HD2      ASN  14   1.035   7.642 -16.880
  119   2HD2  ASN  14          1HD2      ASN  14   0.143   7.563 -15.437
  120    H    ASP  15           H        ASP  15   4.465   7.612 -13.108
  121    HA   ASP  15           HA       ASP  15   6.295   5.552 -12.602
  122   1HB   ASP  15          2HB       ASP  15   7.213   5.219 -14.980
  123   2HB   ASP  15          1HB       ASP  15   5.729   4.359 -14.582
  124    H    LYS  16           H        LYS  16   5.666   8.548 -14.356
  125    HA   LYS  16           HA       LYS  16   8.195   9.482 -14.994
  126   1HB   LYS  16          2HB       LYS  16   6.001  10.695 -15.303
  127   2HB   LYS  16          1HB       LYS  16   6.108  11.189 -13.613
  128   1HG   LYS  16          2HG       LYS  16   7.770  12.697 -14.019
  129   2HG   LYS  16          1HG       LYS  16   8.549  11.667 -15.221
  130   1HD   LYS  16          2HD       LYS  16   6.400  12.227 -16.651
  131   2HD   LYS  16          1HD       LYS  16   6.297  13.620 -15.575
  132   1HE   LYS  16          2HE       LYS  16   7.951  14.663 -16.690
  133   2HE   LYS  16          1HE       LYS  16   9.025  13.282 -16.476
  134   1HZ   LYS  16          1HZ       LYS  16   7.759  12.226 -18.359
  135   2HZ   LYS  16          3HZ       LYS  16   7.068  13.747 -18.649
  136   3HZ   LYS  16          2HZ       LYS  16   8.749  13.541 -18.778
  137    H    SER  17           H        SER  17   6.693  10.291 -11.821
  138    HA   SER  17           HA       SER  17   9.078  11.308 -10.657
  139   1HB   SER  17          2HB       SER  17   6.410  10.825  -9.823
  140   2HB   SER  17          1HB       SER  17   7.453  10.045  -8.639
  141    HG   SER  17           HG       SER  17   7.323  12.744  -9.433
  142    H    ASN  18           H        ASN  18   7.604   8.087 -10.094
  143    HA   ASN  18           HA       ASN  18  10.309   7.107  -9.281
  144   1HB   ASN  18          2HB       ASN  18   8.835   5.048  -8.498
  145   2HB   ASN  18          1HB       ASN  18   8.925   6.494  -7.497
  146   1HD2  ASN  18          2HD2      ASN  18   5.532   7.412  -8.040
  147   2HD2  ASN  18          1HD2      ASN  18   7.048   7.951  -7.504
  148    H    GLU  19           H        GLU  19  10.657   7.190 -11.725
  149    HA   GLU  19           HA       GLU  19   9.332   5.193 -13.378
  150   1HB   GLU  19          2HB       GLU  19  11.287   7.333 -13.720
  151   2HB   GLU  19          1HB       GLU  19  11.752   5.894 -14.621
  152   1HG   GLU  19          2HG       GLU  19   9.154   5.940 -15.276
  153   2HG   GLU  19          1HG       GLU  19   9.383   7.662 -14.975
  154    H    LYS  20           H        LYS  20   9.697   3.331 -11.993
  155    HA   LYS  20           HA       LYS  20  11.536   1.450 -12.788
  156   1HB   LYS  20          2HB       LYS  20  13.366   2.931 -11.922
  157   2HB   LYS  20          1HB       LYS  20  12.627   2.880 -10.327
  158   1HG   LYS  20          2HG       LYS  20  14.143   1.164 -10.078
  159   2HG   LYS  20          1HG       LYS  20  12.816   0.237 -10.773
  160   1HD   LYS  20          2HD       LYS  20  13.806   0.667 -13.050
  161   2HD   LYS  20          1HD       LYS  20  15.202   1.387 -12.245
  162   1HE   LYS  20          2HE       LYS  20  15.952  -0.639 -11.426
  163   2HE   LYS  20          1HE       LYS  20  14.328  -1.321 -11.336
  164   1HZ   LYS  20          3HZ       LYS  20  14.427  -1.142 -13.892
  165   2HZ   LYS  20          2HZ       LYS  20  16.109  -1.071 -13.666
  166   3HZ   LYS  20          1HZ       LYS  20  15.232  -2.422 -13.124
  167    H    PHE  21           H        PHE  21   9.799   2.898 -10.082
  168    HA   PHE  21           HA       PHE  21   9.231   0.160  -9.019
  169   1HB   PHE  21          2HB       PHE  21   8.777   2.812  -7.625
  170   2HB   PHE  21          1HB       PHE  21   8.715   1.204  -6.906
  171    HD1  PHE  21           HD1      PHE  21  10.860  -0.221  -6.970
  172    HD2  PHE  21           HD2      PHE  21  10.812   4.012  -7.697
  173    HE1  PHE  21           HE1      PHE  21  13.290  -0.112  -6.493
  174    HE2  PHE  21           HE2      PHE  21  13.244   4.122  -7.218
  175    HZ   PHE  21           HZ       PHE  21  14.482   2.058  -6.616
  176    H    ILE  22           H        ILE  22   7.040  -0.290  -8.384
  177    HA   ILE  22           HA       ILE  22   4.789  -0.497  -8.843
  178    HB   ILE  22           HB       ILE  22   4.860   1.586  -7.412
  179   1HG1  ILE  22          2HG1      ILE  22   2.574   1.544  -9.386
  180   2HG1  ILE  22          1HG1      ILE  22   2.797   0.298  -8.157
  181   1HG2  ILE  22          3HG2      ILE  22   4.772   2.885 -10.129
  182   2HG2  ILE  22          2HG2      ILE  22   3.979   3.646  -8.754
  183   3HG2  ILE  22          1HG2      ILE  22   5.713   3.338  -8.707
  184   1HD1  ILE  22          1HD1      ILE  22   2.811   3.203  -7.375
  185   2HD1  ILE  22          3HD1      ILE  22   1.280   2.357  -7.606
  186   3HD1  ILE  22          2HD1      ILE  22   2.426   1.792  -6.389
  187    H    HIS  23           H        HIS  23   3.161  -0.446 -10.456
  188    HA   HIS  23           HA       HIS  23   3.270   1.018 -12.888
  189   1HB   HIS  23          2HB       HIS  23   5.369  -0.735 -12.846
  190   2HB   HIS  23          1HB       HIS  23   4.122  -1.738 -13.585
  191    HD1  HIS  23           HD1      HIS  23   5.522   1.793 -14.008
  192    HD2  HIS  23           HD2      HIS  23   3.875  -1.283 -16.291
  193    HE1  HIS  23           HE1      HIS  23   5.620   2.558 -16.421
  194    H    TRP  24           H        TRP  24   1.471   0.488 -14.196
  195    HA   TRP  24           HA       TRP  24  -0.621  -1.031 -12.911
  196   1HB   TRP  24          2HB       TRP  24  -0.632  -0.256 -15.832
  197   2HB   TRP  24          1HB       TRP  24  -2.005  -0.428 -14.746
  198    HD1  TRP  24           HD1      TRP  24  -0.531   1.324 -12.355
  199    HE1  TRP  24           HE1      TRP  24  -0.544   3.889 -12.613
  200    HE3  TRP  24           HE3      TRP  24  -1.398   1.700 -17.373
  201    HZ2  TRP  24           HZ2      TRP  24  -0.883   5.841 -14.676
  202    HZ3  TRP  24           HZ3      TRP  24  -1.566   3.921 -18.458
  203    HH2  TRP  24           HH2      TRP  24  -1.311   5.991 -17.117
  204    H    SER  25           H        SER  25  -1.377  -3.103 -13.381
  205    HA   SER  25           HA       SER  25   0.488  -5.002 -14.467
  206   1HB   SER  25          2HB       SER  25  -1.491  -5.385 -12.814
  207   2HB   SER  25          1HB       SER  25  -2.474  -5.525 -14.270
  208    HG   SER  25           HG       SER  25  -1.734  -7.554 -13.809
  209    H    THR  26           H        THR  26  -0.071  -6.461 -16.356
  210    HA   THR  26           HA       THR  26  -0.548  -4.854 -18.720
  211    HB   THR  26           HB       THR  26  -0.470  -7.877 -18.541
  212    HG1  THR  26           HG1      THR  26   1.477  -7.527 -17.847
  213   1HG2  THR  26          2HG2      THR  26  -0.403  -5.849 -20.702
  214   2HG2  THR  26          1HG2      THR  26   0.759  -7.166 -20.853
  215   3HG2  THR  26          3HG2      THR  26  -0.964  -7.521 -20.741
  216    H    SER  27           H        SER  27  -2.488  -7.078 -16.786
  217    HA   SER  27           HA       SER  27  -4.683  -7.115 -18.736
  218   1HB   SER  27          2HB       SER  27  -4.342  -9.080 -17.330
  219   2HB   SER  27          1HB       SER  27  -4.502  -8.103 -15.873
  220    HG   SER  27           HG       SER  27  -6.411  -9.292 -17.234
  221    H    GLY  28           H        GLY  28  -5.387  -4.970 -18.966
  222   1HA   GLY  28          2HA       GLY  28  -6.717  -3.111 -18.417
  223   2HA   GLY  28          1HA       GLY  28  -7.208  -3.981 -16.962
  224    H    GLU  29           H        GLU  29  -6.975  -2.134 -15.611
  225    HA   GLU  29           HA       GLU  29  -4.393  -0.752 -15.502
  226   1HB   GLU  29          2HB       GLU  29  -6.467   0.511 -15.136
  227   2HB   GLU  29          1HB       GLU  29  -6.860  -0.500 -13.749
  228   1HG   GLU  29          2HG       GLU  29  -5.131   0.400 -12.443
  229   2HG   GLU  29          1HG       GLU  29  -4.231   0.965 -13.852
  230    H    SER  30           H        SER  30  -5.970  -1.651 -12.456
  231    HA   SER  30           HA       SER  30  -5.168  -2.885 -10.638
  232   1HB   SER  30          2HB       SER  30  -3.577  -4.443 -12.690
  233   2HB   SER  30          1HB       SER  30  -4.097  -4.991 -11.099
  234    HG   SER  30           HG       SER  30  -6.091  -5.255 -11.827
  235    H    ILE  31           H        ILE  31  -3.211  -3.139  -9.302
  236    HA   ILE  31           HA       ILE  31  -0.872  -1.593 -10.363
  237    HB   ILE  31           HB       ILE  31  -1.838  -1.496  -7.492
  238   1HG1  ILE  31          2HG1      ILE  31  -2.247   0.594  -9.654
  239   2HG1  ILE  31          1HG1      ILE  31  -3.503  -0.529  -9.130
  240   1HG2  ILE  31          1HG2      ILE  31   0.607  -0.914  -8.452
  241   2HG2  ILE  31          3HG2      ILE  31  -0.191   0.622  -8.789
  242   3HG2  ILE  31          2HG2      ILE  31  -0.130   0.004  -7.138
  243   1HD1  ILE  31          1HD1      ILE  31  -2.087   0.996  -6.998
  244   2HD1  ILE  31          3HD1      ILE  31  -3.207   1.899  -8.019
  245   3HD1  ILE  31          2HD1      ILE  31  -3.779   0.507  -7.098
  246    H    VAL  32           H        VAL  32   0.704  -3.110 -10.592
  247    HA   VAL  32           HA       VAL  32   0.937  -5.271  -8.560
  248    HB   VAL  32           HB       VAL  32   2.332  -4.927 -11.237
  249   1HG1  VAL  32          3HG1      VAL  32   2.590  -6.871  -9.008
  250   2HG1  VAL  32          2HG1      VAL  32   2.496  -7.573 -10.623
  251   3HG1  VAL  32          1HG1      VAL  32   3.764  -6.408 -10.240
  252   1HG2  VAL  32          2HG2      VAL  32  -0.238  -5.369 -11.104
  253   2HG2  VAL  32          1HG2      VAL  32   0.740  -6.405 -12.145
  254   3HG2  VAL  32          3HG2      VAL  32   0.233  -6.979 -10.557
  255    H    VAL  33           H        VAL  33   2.793  -5.502  -7.304
  256    HA   VAL  33           HA       VAL  33   4.920  -3.428  -7.607
  257    HB   VAL  33           HB       VAL  33   3.617  -4.288  -5.004
  258   1HG1  VAL  33          3HG1      VAL  33   6.171  -3.026  -5.610
  259   2HG1  VAL  33          2HG1      VAL  33   5.163  -1.974  -4.617
  260   3HG1  VAL  33          1HG1      VAL  33   5.551  -3.603  -4.064
  261   1HG2  VAL  33          1HG2      VAL  33   2.393  -2.670  -6.650
  262   2HG2  VAL  33          3HG2      VAL  33   2.537  -2.199  -4.957
  263   3HG2  VAL  33          2HG2      VAL  33   3.622  -1.504  -6.160
  264    HA   PRO  34           HA       PRO  34   6.983  -7.385  -7.141
  265   1HB   PRO  34          2HB       PRO  34   9.360  -6.692  -8.323
  266   2HB   PRO  34          1HB       PRO  34   7.936  -7.229  -9.232
  267   1HG   PRO  34          2HG       PRO  34   9.071  -4.497  -8.977
  268   2HG   PRO  34          1HG       PRO  34   8.065  -5.181 -10.264
  269   1HD   PRO  34          2HD       PRO  34   7.191  -3.463  -8.182
  270   2HD   PRO  34          1HD       PRO  34   6.160  -4.356  -9.315
  271    H    ASN  35           H        ASN  35   8.119  -4.177  -6.260
  272    HA   ASN  35           HA       ASN  35   9.545  -5.387  -3.938
  273   1HB   ASN  35          2HB       ASN  35  10.903  -4.310  -6.074
  274   2HB   ASN  35          1HB       ASN  35  10.772  -2.919  -5.001
  275   1HD2  ASN  35          2HD2      ASN  35  13.760  -5.182  -4.153
  276   2HD2  ASN  35          1HD2      ASN  35  13.190  -4.637  -5.657
  277    H    ARG  36           H        ARG  36   7.500  -4.766  -2.874
  278    HA   ARG  36           HA       ARG  36   6.652  -2.008  -2.748
  279   1HB   ARG  36          2HB       ARG  36   5.740  -4.545  -1.772
  280   2HB   ARG  36          1HB       ARG  36   5.817  -3.440  -0.403
  281   1HG   ARG  36          2HG       ARG  36   4.685  -2.083  -2.702
  282   2HG   ARG  36          1HG       ARG  36   3.801  -3.574  -2.387
  283   1HD   ARG  36          2HD       ARG  36   3.521  -2.903  -0.026
  284   2HD   ARG  36          1HD       ARG  36   4.393  -1.407  -0.351
  285    HE   ARG  36           HE       ARG  36   1.620  -1.839  -0.898
  286   1HH1  ARG  36          1HH2      ARG  36   4.256   0.204  -1.492
  287   2HH1  ARG  36          2HH2      ARG  36   3.514   1.041  -2.813
  288   1HH2  ARG  36          1HH1      ARG  36   1.543   0.335  -3.638
  289   2HH2  ARG  36          2HH1      ARG  36   0.758  -1.051  -2.957
  290    H    GLU  37           H        GLU  37   8.835  -3.995  -0.814
  291    HA   GLU  37           HA       GLU  37   9.094  -2.226   1.414
  292   1HB   GLU  37          2HB       GLU  37  11.228  -3.409   1.854
  293   2HB   GLU  37          1HB       GLU  37   9.920  -4.534   1.496
  294   1HG   GLU  37          2HG       GLU  37  10.736  -4.460  -0.939
  295   2HG   GLU  37          1HG       GLU  37  12.185  -3.675  -0.312
  296    H    ARG  38           H        ARG  38  10.886  -2.382  -1.666
  297    HA   ARG  38           HA       ARG  38  12.666  -0.191  -0.929
  298   1HB   ARG  38          2HB       ARG  38  12.247  -1.944  -3.279
  299   2HB   ARG  38          1HB       ARG  38  12.851  -0.329  -3.648
  300   1HG   ARG  38          2HG       ARG  38  14.825  -1.550  -3.269
  301   2HG   ARG  38          1HG       ARG  38  14.539  -0.764  -1.717
  302   1HD   ARG  38          2HD       ARG  38  14.086  -2.729  -0.660
  303   2HD   ARG  38          1HD       ARG  38  13.200  -3.380  -2.039
  304    HE   ARG  38           HE       ARG  38  15.833  -3.402  -2.888
  305   1HH1  ARG  38          1HH2      ARG  38  15.589  -3.779   0.334
  306   2HH1  ARG  38          2HH2      ARG  38  15.985  -5.463   0.396
  307   1HH2  ARG  38          2HH1      ARG  38  15.713  -5.925  -3.030
  308   2HH2  ARG  38          1HH1      ARG  38  16.056  -6.678  -1.509
  309    H    PHE  39           H        PHE  39   9.546  -0.478  -2.477
  310    HA   PHE  39           HA       PHE  39   9.428   1.978  -3.882
  311   1HB   PHE  39          2HB       PHE  39   7.657   0.451  -4.243
  312   2HB   PHE  39          1HB       PHE  39   7.361   0.246  -2.522
  313    HD1  PHE  39           HD1      PHE  39   6.883   2.505  -5.434
  314    HD2  PHE  39           HD2      PHE  39   6.019   1.808  -1.275
  315    HE1  PHE  39           HE1      PHE  39   5.123   4.248  -5.500
  316    HE2  PHE  39           HE2      PHE  39   4.263   3.556  -1.349
  317    HZ   PHE  39           HZ       PHE  39   3.814   4.768  -3.459
  318    H    VAL  40           H        VAL  40   8.228   1.335  -0.563
  319    HA   VAL  40           HA       VAL  40   7.639   4.013   0.127
  320    HB   VAL  40           HB       VAL  40   8.628   1.782   1.935
  321   1HG1  VAL  40          1HG1      VAL  40   7.292   4.431   2.466
  322   2HG1  VAL  40          3HG1      VAL  40   7.127   3.090   3.595
  323   3HG1  VAL  40          2HG1      VAL  40   8.722   3.750   3.236
  324   1HG2  VAL  40          1HG2      VAL  40   5.879   2.563   0.939
  325   2HG2  VAL  40          3HG2      VAL  40   6.692   1.008   0.758
  326   3HG2  VAL  40          2HG2      VAL  40   6.127   1.528   2.345
  327    H    GLN  41           H        GLN  41  10.612   2.161   0.787
  328    HA   GLN  41           HA       GLN  41  12.078   4.176   2.085
  329   1HB   GLN  41          2HB       GLN  41  12.909   1.831   0.400
  330   2HB   GLN  41          1HB       GLN  41  14.107   2.914   1.111
  331   1HG   GLN  41          2HG       GLN  41  11.946   1.969   2.923
  332   2HG   GLN  41          1HG       GLN  41  13.126   0.766   2.419
  333   1HE2  GLN  41          2HE2      GLN  41  14.822   2.085   5.319
  334   2HE2  GLN  41          1HE2      GLN  41  13.709   0.894   4.846
  335    H    GLU  42           H        GLU  42  11.351   3.941  -1.347
  336    HA   GLU  42           HA       GLU  42  13.061   6.364  -1.734
  337   1HB   GLU  42          2HB       GLU  42  12.806   4.092  -3.721
  338   2HB   GLU  42          1HB       GLU  42  13.809   5.533  -3.893
  339   1HG   GLU  42          2HG       GLU  42  14.890   4.787  -1.653
  340   2HG   GLU  42          1HG       GLU  42  14.154   3.219  -1.993
  341    H    VAL  43           H        VAL  43  10.046   5.934  -1.431
  342    HA   VAL  43           HA       VAL  43   9.327   7.630  -3.739
  343    HB   VAL  43           HB       VAL  43   7.759   5.090  -3.211
  344   1HG1  VAL  43          2HG1      VAL  43   6.524   7.039  -4.153
  345   2HG1  VAL  43          1HG1      VAL  43   7.685   7.107  -5.478
  346   3HG1  VAL  43          3HG1      VAL  43   6.633   5.703  -5.298
  347   1HG2  VAL  43          2HG2      VAL  43   9.787   5.750  -5.372
  348   2HG2  VAL  43          1HG2      VAL  43   9.935   4.489  -4.147
  349   3HG2  VAL  43          3HG2      VAL  43   8.713   4.353  -5.410
  350    H    LEU  44           H        LEU  44   8.217   6.030  -0.751
  351    HA   LEU  44           HA       LEU  44   5.821   7.533  -0.442
  352   1HB   LEU  44          2HB       LEU  44   6.483   5.467   0.840
  353   2HB   LEU  44          1HB       LEU  44   7.555   6.482   1.801
  354    HG   LEU  44           HG       LEU  44   5.505   7.942   2.275
  355   1HD1  LEU  44          3HD1      LEU  44   4.260   6.622   0.340
  356   2HD1  LEU  44          2HD1      LEU  44   3.893   5.493   1.643
  357   3HD1  LEU  44          1HD1      LEU  44   3.371   7.174   1.759
  358   1HD2  LEU  44          2HD2      LEU  44   6.597   5.964   3.680
  359   2HD2  LEU  44          1HD2      LEU  44   5.095   6.724   4.206
  360   3HD2  LEU  44          3HD2      LEU  44   5.051   5.184   3.348
  361    HA   PRO  45           HA       PRO  45   8.284  10.637   2.163
  362   1HB   PRO  45          2HB       PRO  45  10.996  10.837   1.801
  363   2HB   PRO  45          1HB       PRO  45  10.240   9.879   3.085
  364   1HG   PRO  45          2HG       PRO  45  11.506   8.961   0.547
  365   2HG   PRO  45          1HG       PRO  45  11.373   8.126   2.104
  366   1HD   PRO  45          2HD       PRO  45   9.780   7.616  -0.138
  367   2HD   PRO  45          1HD       PRO  45   9.399   7.134   1.524
  368    H    LYS  46           H        LYS  46   8.658   9.939  -1.147
  369    HA   LYS  46           HA       LYS  46   9.619  12.640  -1.858
  370   1HB   LYS  46          2HB       LYS  46   9.805  10.131  -3.079
  371   2HB   LYS  46          1HB       LYS  46   8.635  11.001  -4.071
  372   1HG   LYS  46          2HG       LYS  46  10.873  11.430  -4.927
  373   2HG   LYS  46          1HG       LYS  46  10.238  12.910  -4.217
  374   1HD   LYS  46          2HD       LYS  46  11.971  13.004  -2.783
  375   2HD   LYS  46          1HD       LYS  46  11.565  11.409  -2.152
  376   1HE   LYS  46          2HE       LYS  46  12.724  10.586  -4.388
  377   2HE   LYS  46          1HE       LYS  46  13.518  12.159  -4.298
  378   1HZ   LYS  46          3HZ       LYS  46  14.028  11.539  -1.912
  379   2HZ   LYS  46          2HZ       LYS  46  13.588   9.952  -2.330
  380   3HZ   LYS  46          1HZ       LYS  46  14.891  10.710  -3.114
  381    H    TYR  47           H        TYR  47   6.827  11.844  -0.622
  382    HA   TYR  47           HA       TYR  47   5.297  13.664  -2.385
  383   1HB   TYR  47          2HB       TYR  47   4.525  10.836  -1.662
  384   2HB   TYR  47          1HB       TYR  47   3.296  12.048  -2.033
  385    HD1  TYR  47           HD2      TYR  47   6.325  10.345  -3.374
  386    HD2  TYR  47           HD1      TYR  47   2.857  12.716  -4.271
  387    HE1  TYR  47           HE2      TYR  47   6.721  10.005  -5.797
  388    HE2  TYR  47           HE1      TYR  47   3.252  12.374  -6.696
  389    HH   TYR  47           HH       TYR  47   5.362  11.837  -8.157
  390    H    PHE  48           H        PHE  48   5.308  11.761   0.640
  391    HA   PHE  48           HA       PHE  48   3.883  14.048   1.941
  392   1HB   PHE  48          2HB       PHE  48   3.827  11.139   2.796
  393   2HB   PHE  48          1HB       PHE  48   2.880  12.460   3.480
  394    HD1  PHE  48           HD2      PHE  48   3.439  10.441   0.412
  395    HD2  PHE  48           HD1      PHE  48   0.857  13.211   2.440
  396    HE1  PHE  48           HE2      PHE  48   1.692  10.067  -1.306
  397    HE2  PHE  48           HE1      PHE  48  -0.894  12.835   0.718
  398    HZ   PHE  48           HZ       PHE  48  -0.472  11.267  -1.151
  399    H    LYS  49           H        LYS  49   4.865  14.943   3.691
  400    HA   LYS  49           HA       LYS  49   7.617  14.450   4.208
  401   1HB   LYS  49          2HB       LYS  49   7.077  15.764   6.434
  402   2HB   LYS  49          1HB       LYS  49   7.050  16.587   4.880
  403   1HG   LYS  49          2HG       LYS  49   4.469  15.362   5.588
  404   2HG   LYS  49          1HG       LYS  49   4.993  16.594   6.733
  405   1HD   LYS  49          2HD       LYS  49   5.567  17.797   4.331
  406   2HD   LYS  49          1HD       LYS  49   4.120  16.873   3.927
  407   1HE   LYS  49          2HE       LYS  49   3.319  18.973   4.713
  408   2HE   LYS  49          1HE       LYS  49   3.083  17.852   6.056
  409   1HZ   LYS  49          2HZ       LYS  49   5.602  19.354   5.849
  410   2HZ   LYS  49          1HZ       LYS  49   4.219  20.129   6.461
  411   3HZ   LYS  49          3HZ       LYS  49   4.822  18.742   7.229
  412    H    HIS  50           H        HIS  50   5.192  14.055   6.834
  413    HA   HIS  50           HA       HIS  50   6.793  11.722   7.743
  414   1HB   HIS  50          2HB       HIS  50   4.780  13.414   9.259
  415   2HB   HIS  50          1HB       HIS  50   5.754  12.111   9.941
  416    HD1  HIS  50           HD1      HIS  50   8.249  12.574  10.369
  417    HD2  HIS  50           HD2      HIS  50   6.260  15.794   8.621
  418    HE1  HIS  50           HE1      HIS  50   9.830  14.549  10.502
  419    H    SER  51           H        SER  51   5.650  10.457   6.017
  420    HA   SER  51           HA       SER  51   2.913   9.626   6.901
  421   1HB   SER  51          2HB       SER  51   2.959  10.544   4.604
  422   2HB   SER  51          1HB       SER  51   4.203   9.379   4.161
  423    HG   SER  51           HG       SER  51   1.667   9.015   3.973
  424    H    ASN  52           H        ASN  52   2.498   7.228   6.505
  425    HA   ASN  52           HA       ASN  52   4.999   5.615   6.674
  426   1HB   ASN  52          2HB       ASN  52   2.862   5.901   8.719
  427   2HB   ASN  52          1HB       ASN  52   3.448   4.264   8.425
  428   1HD2  ASN  52          2HD2      ASN  52   5.665   6.579  10.742
  429   2HD2  ASN  52          1HD2      ASN  52   4.000   6.771  10.472
  430    H    PHE  53           H        PHE  53   4.721   3.393   6.066
  431    HA   PHE  53           HA       PHE  53   3.157   2.870   3.808
  432   1HB   PHE  53          2HB       PHE  53   5.065   1.484   4.602
  433   2HB   PHE  53          1HB       PHE  53   4.044   0.848   5.886
  434    HD1  PHE  53           HD2      PHE  53   3.530   1.509   2.218
  435    HD2  PHE  53           HD1      PHE  53   3.353  -1.323   5.444
  436    HE1  PHE  53           HE2      PHE  53   2.618  -0.199   0.670
  437    HE2  PHE  53           HE1      PHE  53   2.441  -3.032   3.895
  438    HZ   PHE  53           HZ       PHE  53   2.075  -2.471   1.507
  439    H    ALA  54           H        ALA  54   2.378   2.060   7.196
  440    HA   ALA  54           HA       ALA  54  -0.057   0.697   6.749
  441   1HB   ALA  54          3HB       ALA  54   1.138   2.203   9.016
  442   2HB   ALA  54          2HB       ALA  54  -0.602   1.923   9.089
  443   3HB   ALA  54          1HB       ALA  54   0.507   0.557   8.965
  444    H    SER  55           H        SER  55   0.521   4.195   7.082
  445    HA   SER  55           HA       SER  55  -2.226   4.991   7.028
  446   1HB   SER  55          2HB       SER  55   0.068   6.318   7.458
  447   2HB   SER  55          1HB       SER  55  -0.178   6.753   5.769
  448    HG   SER  55           HG       SER  55  -1.265   8.241   7.002
  449    H    PHE  56           H        PHE  56   0.119   4.387   4.437
  450    HA   PHE  56           HA       PHE  56  -1.517   5.394   2.300
  451   1HB   PHE  56          2HB       PHE  56   0.950   4.954   2.138
  452   2HB   PHE  56          1HB       PHE  56   0.595   3.227   2.135
  453    HD1  PHE  56           HD2      PHE  56  -1.162   6.097   0.484
  454    HD2  PHE  56           HD1      PHE  56   1.012   2.432  -0.035
  455    HE1  PHE  56           HE2      PHE  56  -1.588   6.194  -1.957
  456    HE2  PHE  56           HE1      PHE  56   0.587   2.526  -2.477
  457    HZ   PHE  56           HZ       PHE  56  -0.714   4.408  -3.438
  458    H    VAL  57           H        VAL  57  -1.152   2.167   3.709
  459    HA   VAL  57           HA       VAL  57  -2.812   0.787   1.830
  460    HB   VAL  57           HB       VAL  57  -2.334   0.098   4.747
  461   1HG1  VAL  57          3HG1      VAL  57  -3.448  -1.354   2.365
  462   2HG1  VAL  57          2HG1      VAL  57  -2.565  -2.263   3.593
  463   3HG1  VAL  57          1HG1      VAL  57  -4.013  -1.358   4.037
  464   1HG2  VAL  57          2HG2      VAL  57  -0.338   0.481   3.006
  465   2HG2  VAL  57          1HG2      VAL  57  -0.309  -0.854   4.158
  466   3HG2  VAL  57          3HG2      VAL  57  -0.808  -1.138   2.491
  467    H    ARG  58           H        ARG  58  -3.520   2.670   4.722
  468    HA   ARG  58           HA       ARG  58  -6.263   1.797   4.997
  469   1HB   ARG  58          2HB       ARG  58  -4.734   4.215   5.967
  470   2HB   ARG  58          1HB       ARG  58  -6.461   4.031   6.271
  471   1HG   ARG  58          2HG       ARG  58  -4.780   1.663   6.890
  472   2HG   ARG  58          1HG       ARG  58  -4.556   3.062   7.939
  473   1HD   ARG  58          2HD       ARG  58  -7.055   3.140   8.249
  474   2HD   ARG  58          1HD       ARG  58  -7.158   1.622   7.357
  475    HE   ARG  58           HE       ARG  58  -5.572   1.845   9.883
  476   1HH1  ARG  58          2HH1      ARG  58  -6.516  -0.354   7.605
  477   2HH1  ARG  58          1HH1      ARG  58  -7.315  -1.440   8.693
  478   1HH2  ARG  58          1HH2      ARG  58  -7.178   0.735  11.389
  479   2HH2  ARG  58          2HH2      ARG  58  -7.690  -0.824  10.834
  480    H    GLN  59           H        GLN  59  -4.695   4.511   3.311
  481    HA   GLN  59           HA       GLN  59  -7.066   5.852   2.470
  482   1HB   GLN  59          2HB       GLN  59  -4.403   5.657   1.033
  483   2HB   GLN  59          1HB       GLN  59  -5.658   6.853   0.720
  484   1HG   GLN  59          2HG       GLN  59  -4.488   6.527   3.476
  485   2HG   GLN  59          1HG       GLN  59  -3.701   7.539   2.265
  486   1HE2  GLN  59          2HE2      GLN  59  -5.803  10.112   3.550
  487   2HE2  GLN  59          1HE2      GLN  59  -4.221   9.496   3.524
  488    H    LEU  60           H        LEU  60  -5.063   3.491   0.664
  489    HA   LEU  60           HA       LEU  60  -6.747   3.344  -1.621
  490   1HB   LEU  60          2HB       LEU  60  -4.985   1.164  -0.461
  491   2HB   LEU  60          1HB       LEU  60  -5.604   1.223  -2.110
  492    HG   LEU  60           HG       LEU  60  -3.941   3.469  -0.958
  493   1HD1  LEU  60          3HD1      LEU  60  -3.100   0.835  -2.125
  494   2HD1  LEU  60          2HD1      LEU  60  -2.131   2.271  -2.453
  495   3HD1  LEU  60          1HD1      LEU  60  -2.386   1.740  -0.790
  496   1HD2  LEU  60          2HD2      LEU  60  -5.290   3.875  -3.014
  497   2HD2  LEU  60          1HD2      LEU  60  -3.556   3.962  -3.327
  498   3HD2  LEU  60          3HD2      LEU  60  -4.467   2.525  -3.795
  499    H    ASN  61           H        ASN  61  -6.791   1.470   1.396
  500    HA   ASN  61           HA       ASN  61  -8.829  -0.380   0.610
  501   1HB   ASN  61          2HB       ASN  61  -7.222  -0.121   2.800
  502   2HB   ASN  61          1HB       ASN  61  -8.762   0.430   3.461
  503   1HD2  ASN  61          2HD2      ASN  61  -8.617  -3.414   1.978
  504   2HD2  ASN  61          1HD2      ASN  61  -7.677  -2.211   1.237
  505    H    MET  62           H        MET  62  -8.954   2.940   1.695
  506    HA   MET  62           HA       MET  62 -11.799   2.861   2.362
  507   1HB   MET  62          2HB       MET  62  -9.715   5.024   2.146
  508   2HB   MET  62          1HB       MET  62 -11.420   5.437   2.319
  509   1HG   MET  62          2HG       MET  62 -10.530   3.351   4.198
  510   2HG   MET  62          1HG       MET  62  -9.687   4.884   4.408
  511   1HE   MET  62          2HE       MET  62 -10.621   4.248   6.606
  512   2HE   MET  62          1HE       MET  62 -10.910   5.976   6.790
  513   3HE   MET  62          3HE       MET  62 -12.164   4.814   7.241
  514    H    TYR  63           H        TYR  63  -9.946   3.301  -0.543
  515    HA   TYR  63           HA       TYR  63 -12.277   4.556  -1.904
  516   1HB   TYR  63          2HB       TYR  63  -9.420   4.157  -2.831
  517   2HB   TYR  63          1HB       TYR  63 -10.686   4.950  -3.768
  518    HD1  TYR  63           HD2      TYR  63 -12.028   6.827  -2.402
  519    HD2  TYR  63           HD1      TYR  63  -8.030   5.511  -1.539
  520    HE1  TYR  63           HE2      TYR  63 -11.586   8.954  -1.207
  521    HE2  TYR  63           HE1      TYR  63  -7.588   7.639  -0.343
  522    HH   TYR  63           HH       TYR  63  -9.675   9.538   0.856
  523    H    GLY  64           H        GLY  64 -10.962   1.462  -1.413
  524   1HA   GLY  64          2HA       GLY  64 -12.176  -0.464  -2.315
  525   2HA   GLY  64          1HA       GLY  64 -12.469   0.463  -3.785
  526    H    TRP  65           H        TRP  65  -9.758  -0.828  -1.855
  527    HA   TRP  65           HA       TRP  65  -8.488  -1.752  -4.378
  528   1HB   TRP  65          2HB       TRP  65  -7.202   0.039  -2.299
  529   2HB   TRP  65          1HB       TRP  65  -6.258  -0.926  -3.435
  530    HD1  TRP  65           HD1      TRP  65  -7.835   2.363  -3.106
  531    HE1  TRP  65           HE1      TRP  65  -7.993   3.550  -5.392
  532    HE3  TRP  65           HE3      TRP  65  -6.821  -1.565  -6.208
  533    HZ2  TRP  65           HZ2      TRP  65  -7.726   2.911  -8.168
  534    HZ3  TRP  65           HZ3      TRP  65  -6.778  -1.249  -8.664
  535    HH2  TRP  65           HH2      TRP  65  -7.229   0.982  -9.649
  536    H    HIS  66           H        HIS  66  -8.771  -3.919  -3.843
  537    HA   HIS  66           HA       HIS  66  -8.222  -4.911  -1.147
  538   1HB   HIS  66          2HB       HIS  66  -8.961  -6.202  -3.770
  539   2HB   HIS  66          1HB       HIS  66  -8.482  -7.177  -2.380
  540    HD1  HIS  66           HD1      HIS  66 -11.450  -6.206  -3.884
  541    HD2  HIS  66           HD2      HIS  66 -10.097  -5.882   0.045
  542    HE1  HIS  66           HE1      HIS  66 -13.511  -5.939  -2.436
  543    H    LYS  67           H        LYS  67  -6.754  -7.059  -1.191
  544    HA   LYS  67           HA       LYS  67  -4.257  -6.490  -2.713
  545   1HB   LYS  67          2HB       LYS  67  -4.474  -7.002   0.266
  546   2HB   LYS  67          1HB       LYS  67  -2.957  -7.041  -0.631
  547   1HG   LYS  67          2HG       LYS  67  -2.939  -4.761  -0.978
  548   2HG   LYS  67          1HG       LYS  67  -4.698  -4.631  -0.938
  549   1HD   LYS  67          2HD       LYS  67  -3.177  -5.414   1.539
  550   2HD   LYS  67          1HD       LYS  67  -3.333  -3.716   1.089
  551   1HE   LYS  67          2HE       LYS  67  -5.568  -3.656   1.561
  552   2HE   LYS  67          1HE       LYS  67  -5.836  -5.303   0.992
  553   1HZ   LYS  67          3HZ       LYS  67  -4.504  -4.575   3.544
  554   2HZ   LYS  67          2HZ       LYS  67  -6.114  -5.095   3.396
  555   3HZ   LYS  67          1HZ       LYS  67  -4.841  -6.148   3.002
  556    H    VAL  68           H        VAL  68  -6.468  -8.543  -2.876
  557    HA   VAL  68           HA       VAL  68  -6.774 -10.866  -2.998
  558    HB   VAL  68           HB       VAL  68  -5.115 -11.969  -4.383
  559   1HG1  VAL  68          2HG1      VAL  68  -5.795  -9.111  -4.943
  560   2HG1  VAL  68          1HG1      VAL  68  -4.700  -9.950  -6.040
  561   3HG1  VAL  68          3HG1      VAL  68  -6.326 -10.575  -5.770
  562   1HG2  VAL  68          3HG2      VAL  68  -3.120 -11.139  -3.064
  563   2HG2  VAL  68          2HG2      VAL  68  -2.924 -11.046  -4.814
  564   3HG2  VAL  68          1HG2      VAL  68  -3.299  -9.591  -3.890
  565    H    GLN  69           H        GLN  69  -4.938 -13.010  -2.738
  566    HA   GLN  69           HA       GLN  69  -4.166 -12.797   0.143
  567   1HB   GLN  69          2HB       GLN  69  -5.407 -15.133  -1.339
  568   2HB   GLN  69          1HB       GLN  69  -4.756 -15.236   0.297
  569   1HG   GLN  69          2HG       GLN  69  -6.551 -12.964   0.080
  570   2HG   GLN  69          1HG       GLN  69  -7.362 -14.435  -0.452
  571   1HE2  GLN  69          2HE2      GLN  69  -6.024 -14.259   3.442
  572   2HE2  GLN  69          1HE2      GLN  69  -5.237 -13.329   2.259
  573    H    ASP  70           H        ASP  70  -3.714 -15.201  -2.463
  574    HA   ASP  70           HA       ASP  70  -0.916 -14.672  -2.826
  575   1HB   ASP  70          2HB       ASP  70  -1.307 -15.861  -0.423
  576   2HB   ASP  70          1HB       ASP  70  -1.194 -17.291  -1.449
  577    H    VAL  71           H        VAL  71  -1.131 -15.082  -4.998
  578    HA   VAL  71           HA       VAL  71  -1.950 -17.849  -5.764
  579    HB   VAL  71           HB       VAL  71  -3.787 -16.277  -6.277
  580   1HG1  VAL  71          1HG1      VAL  71  -2.172 -14.304  -6.543
  581   2HG1  VAL  71          3HG1      VAL  71  -1.889 -14.896  -8.181
  582   3HG1  VAL  71          2HG1      VAL  71  -3.506 -14.386  -7.695
  583   1HG2  VAL  71          2HG2      VAL  71  -2.622 -18.117  -8.013
  584   2HG2  VAL  71          1HG2      VAL  71  -4.222 -17.398  -8.196
  585   3HG2  VAL  71          3HG2      VAL  71  -2.835 -16.686  -9.021
  586    H    LYS  72           H        LYS  72   0.680 -17.281  -5.358
  587    HA   LYS  72           HA       LYS  72   1.762 -17.012  -8.137
  588   1HB   LYS  72          2HB       LYS  72   2.447 -15.564  -5.710
  589   2HB   LYS  72          1HB       LYS  72   3.852 -16.432  -6.327
  590   1HG   LYS  72          2HG       LYS  72   2.123 -14.828  -8.198
  591   2HG   LYS  72          1HG       LYS  72   3.364 -14.032  -7.231
  592   1HD   LYS  72          2HD       LYS  72   4.204 -16.503  -8.650
  593   2HD   LYS  72          1HD       LYS  72   3.864 -15.101  -9.665
  594   1HE   LYS  72          2HE       LYS  72   5.338 -13.990  -7.613
  595   2HE   LYS  72          1HE       LYS  72   6.096 -15.570  -7.808
  596   1HZ   LYS  72          3HZ       LYS  72   5.584 -13.628  -9.996
  597   2HZ   LYS  72          2HZ       LYS  72   7.090 -13.906  -9.259
  598   3HZ   LYS  72          1HZ       LYS  72   6.343 -15.135 -10.162
  599    H    SER  73           H        SER  73   2.836 -18.161  -4.921
  600    HA   SER  73           HA       SER  73   4.273 -20.397  -6.191
  601   1HB   SER  73          2HB       SER  73   5.384 -19.340  -4.331
  602   2HB   SER  73          1HB       SER  73   3.955 -19.500  -3.314
  603    HG   SER  73           HG       SER  73   5.944 -21.231  -3.686
  604    H    GLY  74           H        GLY  74   1.915 -20.217  -3.498
  605   1HA   GLY  74          2HA       GLY  74  -0.113 -21.487  -3.325
  606   2HA   GLY  74          1HA       GLY  74   0.420 -22.480  -4.683
  607    H    SER  75           H        SER  75   1.730 -21.658  -1.454
  608    HA   SER  75           HA       SER  75   1.618 -24.437  -0.580
  609   1HB   SER  75          2HB       SER  75   4.043 -24.763  -0.383
  610   2HB   SER  75          1HB       SER  75   3.604 -24.487  -2.066
  611    HG   SER  75           HG       SER  75   5.259 -23.083  -0.504
  612    H    MET  76           H        MET  76   3.279 -21.314  -0.065
  613    HA   MET  76           HA       MET  76   2.882 -21.671   2.870
  614   1HB   MET  76          2HB       MET  76   4.857 -20.207   1.181
  615   2HB   MET  76          1HB       MET  76   4.428 -19.480   2.729
  616   1HG   MET  76          2HG       MET  76   4.809 -22.247   3.237
  617   2HG   MET  76          1HG       MET  76   6.144 -21.752   2.200
  618   1HE   MET  76          1HE       MET  76   7.905 -21.906   3.248
  619   2HE   MET  76          3HE       MET  76   8.552 -20.932   4.576
  620   3HE   MET  76          2HE       MET  76   7.653 -22.410   4.917
  621    H    LEU  77           H        LEU  77   0.535 -21.134   2.413
  622    HA   LEU  77           HA       LEU  77  -0.094 -18.396   1.610
  623   1HB   LEU  77          2HB       LEU  77  -1.522 -20.828   1.870
  624   2HB   LEU  77          1HB       LEU  77  -2.252 -19.722   3.030
  625    HG   LEU  77           HG       LEU  77  -1.860 -18.156   0.730
  626   1HD1  LEU  77          2HD1      LEU  77  -2.753 -20.963   0.046
  627   2HD1  LEU  77          1HD1      LEU  77  -3.157 -19.572  -0.961
  628   3HD1  LEU  77          3HD1      LEU  77  -1.469 -20.019  -0.709
  629   1HD2  LEU  77          1HD2      LEU  77  -3.794 -18.262   2.396
  630   2HD2  LEU  77          3HD2      LEU  77  -4.250 -18.021   0.709
  631   3HD2  LEU  77          2HD2      LEU  77  -4.413 -19.614   1.448
  632    H    SER  78           H        SER  78  -1.657 -17.171   3.233
  633    HA   SER  78           HA       SER  78  -1.825 -15.981   5.245
  634   1HB   SER  78          2HB       SER  78  -1.798 -18.690   5.932
  635   2HB   SER  78          1HB       SER  78  -0.595 -17.969   6.997
  636    HG   SER  78           HG       SER  78  -2.291 -17.373   8.092
  637    H    ASN  79           H        ASN  79   0.712 -15.999   3.629
  638    HA   ASN  79           HA       ASN  79   2.365 -14.608   5.617
  639   1HB   ASN  79          2HB       ASN  79   2.960 -17.331   4.744
  640   2HB   ASN  79          1HB       ASN  79   4.274 -16.225   4.349
  641   1HD2  ASN  79          2HD2      ASN  79   4.389 -17.531   7.979
  642   2HD2  ASN  79          1HD2      ASN  79   3.999 -18.361   6.551
  643    H    ASN  80           H        ASN  80   3.930 -13.234   4.609
  644    HA   ASN  80           HA       ASN  80   3.933 -13.147   1.639
  645   1HB   ASN  80          2HB       ASN  80   3.627 -10.624   1.782
  646   2HB   ASN  80          1HB       ASN  80   2.188 -11.573   2.151
  647   1HD2  ASN  80          2HD2      ASN  80   3.996  -9.410   5.122
  648   2HD2  ASN  80          1HD2      ASN  80   4.788  -9.637   3.638
  649    H    ASP  81           H        ASP  81   5.721 -11.733   0.825
  650    HA   ASP  81           HA       ASP  81   7.897 -11.441   2.858
  651   1HB   ASP  81          2HB       ASP  81   8.062 -12.499   0.027
  652   2HB   ASP  81          1HB       ASP  81   9.479 -12.030   0.968
  653    H    SER  82           H        SER  82   7.705 -10.603  -0.614
  654    HA   SER  82           HA       SER  82   7.728  -7.724   0.097
  655   1HB   SER  82          2HB       SER  82  10.102  -8.382   0.029
  656   2HB   SER  82          1HB       SER  82   9.877  -9.041  -1.589
  657    HG   SER  82           HG       SER  82  10.297  -7.086  -2.222
  658    H    ARG  83           H        ARG  83   5.846  -9.573  -1.319
  659    HA   ARG  83           HA       ARG  83   5.774  -8.088  -3.916
  660   1HB   ARG  83          2HB       ARG  83   6.230 -10.761  -3.790
  661   2HB   ARG  83          1HB       ARG  83   4.465 -10.754  -3.818
  662   1HG   ARG  83          2HG       ARG  83   4.550  -9.254  -5.821
  663   2HG   ARG  83          1HG       ARG  83   6.305  -9.423  -5.828
  664   1HD   ARG  83          2HD       ARG  83   5.637 -12.028  -5.748
  665   2HD   ARG  83          1HD       ARG  83   4.209 -11.402  -6.572
  666    HE   ARG  83           HE       ARG  83   6.775 -11.727  -7.779
  667   1HH1  ARG  83          2HH1      ARG  83   7.451  -9.255  -8.392
  668   2HH1  ARG  83          1HH1      ARG  83   6.310  -8.601  -9.517
  669   1HH2  ARG  83          1HH2      ARG  83   3.880 -10.980  -8.840
  670   2HH2  ARG  83          2HH2      ARG  83   4.288  -9.578  -9.771
  671    H    TRP  84           H        TRP  84   3.909  -6.966  -4.222
  672    HA   TRP  84           HA       TRP  84   1.529  -7.740  -2.584
  673   1HB   TRP  84          2HB       TRP  84   2.585  -4.962  -3.169
  674   2HB   TRP  84          1HB       TRP  84   1.013  -5.286  -2.442
  675    HD1  TRP  84           HD1      TRP  84   4.667  -6.385  -1.780
  676    HE1  TRP  84           HE1      TRP  84   5.058  -6.352   0.765
  677    HE3  TRP  84           HE3      TRP  84   0.029  -4.951  -0.197
  678    HZ2  TRP  84           HZ2      TRP  84   3.593  -5.797   3.164
  679    HZ3  TRP  84           HZ3      TRP  84  -0.447  -4.678   2.220
  680    HH2  TRP  84           HH2      TRP  84   1.328  -5.100   3.901
  681    H    GLU  85           H        GLU  85  -0.488  -7.453  -3.587
  682    HA   GLU  85           HA       GLU  85  -0.442  -6.635  -6.464
  683   1HB   GLU  85          2HB       GLU  85  -1.961  -8.955  -5.225
  684   2HB   GLU  85          1HB       GLU  85  -2.134  -8.412  -6.892
  685   1HG   GLU  85          2HG       GLU  85  -0.458  -9.843  -7.400
  686   2HG   GLU  85          1HG       GLU  85   0.622  -8.708  -6.594
  687    H    PHE  86           H        PHE  86  -2.436  -5.590  -7.162
  688    HA   PHE  86           HA       PHE  86  -4.411  -5.017  -5.014
  689   1HB   PHE  86          2HB       PHE  86  -2.951  -2.897  -6.613
  690   2HB   PHE  86          1HB       PHE  86  -4.317  -2.589  -5.541
  691    HD1  PHE  86           HD2      PHE  86  -0.802  -3.764  -5.684
  692    HD2  PHE  86           HD1      PHE  86  -4.058  -2.561  -3.153
  693    HE1  PHE  86           HE2      PHE  86   0.742  -3.663  -3.747
  694    HE2  PHE  86           HE1      PHE  86  -2.512  -2.459  -1.216
  695    HZ   PHE  86           HZ       PHE  86  -0.113  -3.009  -1.513
  696    H    GLU  87           H        GLU  87  -6.472  -4.794  -5.761
  697    HA   GLU  87           HA       GLU  87  -6.928  -4.371  -8.664
  698   1HB   GLU  87          2HB       GLU  87  -7.336  -6.882  -7.224
  699   2HB   GLU  87          1HB       GLU  87  -8.835  -6.301  -7.948
  700   1HG   GLU  87          2HG       GLU  87  -7.669  -6.046 -10.122
  701   2HG   GLU  87          1HG       GLU  87  -6.196  -6.690  -9.393
  702    H    ASN  88           H        ASN  88  -9.408  -4.080  -9.010
  703    HA   ASN  88           HA       ASN  88 -10.480  -2.538  -6.683
  704   1HB   ASN  88          2HB       ASN  88 -11.741  -1.223  -8.425
  705   2HB   ASN  88          1HB       ASN  88  -9.989  -1.048  -8.523
  706   1HD2  ASN  88          2HD2      ASN  88  -9.915  -2.182 -11.843
  707   2HD2  ASN  88          1HD2      ASN  88  -9.198  -1.258 -10.613
  708    H    GLU  89           H        GLU  89 -11.070  -5.141  -6.499
  709    HA   GLU  89           HA       GLU  89 -12.864  -6.631  -6.299
  710   1HB   GLU  89          2HB       GLU  89 -13.941  -4.213  -5.788
  711   2HB   GLU  89          1HB       GLU  89 -14.846  -4.619  -7.246
  712   1HG   GLU  89          2HG       GLU  89 -15.321  -6.880  -6.153
  713   2HG   GLU  89          1HG       GLU  89 -14.703  -6.176  -4.658
  714    H    ARG  90           H        ARG  90 -12.859  -8.164  -7.847
  715    HA   ARG  90           HA       ARG  90 -12.793  -7.764 -10.647
  716   1HB   ARG  90          2HB       ARG  90 -13.926 -10.135  -9.128
  717   2HB   ARG  90          1HB       ARG  90 -13.443 -10.138 -10.824
  718   1HG   ARG  90          2HG       ARG  90 -11.208 -10.178 -10.331
  719   2HG   ARG  90          1HG       ARG  90 -11.404  -9.164  -8.899
  720   1HD   ARG  90          2HD       ARG  90 -12.483 -11.138  -7.753
  721   2HD   ARG  90          1HD       ARG  90 -12.025 -12.120  -9.146
  722    HE   ARG  90           HE       ARG  90  -9.658 -11.669  -8.572
  723   1HH1  ARG  90          1HH2      ARG  90 -11.234  -9.519  -6.637
  724   2HH1  ARG  90          2HH2      ARG  90 -10.538 -10.040  -5.140
  725   1HH2  ARG  90          2HH1      ARG  90  -9.106 -12.892  -6.490
  726   2HH2  ARG  90          1HH1      ARG  90  -9.334 -11.949  -5.056
  727    H    HIS  91           H        HIS  91 -15.633  -8.820  -8.718
  728    HA   HIS  91           HA       HIS  91 -17.435  -8.200 -10.945
  729   1HB   HIS  91          2HB       HIS  91 -17.547  -9.792  -8.583
  730   2HB   HIS  91          1HB       HIS  91 -18.833  -8.595  -8.446
  731    HD1  HIS  91           HD1      HIS  91 -19.269 -11.698  -9.046
  732    HD2  HIS  91           HD2      HIS  91 -19.329  -8.642 -11.879
  733    HE1  HIS  91           HE1      HIS  91 -20.608 -12.570 -11.012
  734    H    ALA  92           HN       ALA  92 -18.974  -6.497 -10.962
  735    HA   ALA  92           HA       ALA  92 -18.190  -4.157  -9.327
  736   1HB   ALA  92          1HB       ALA  92 -19.630  -4.600 -11.888
  737   2HB   ALA  92          3HB       ALA  92 -20.175  -3.228 -10.922
  738   3HB   ALA  92          2HB       ALA  92 -18.493  -3.329 -11.442
   
  No H/Q in entry =         738
  Start of MODEL          11
 Raw file had  756 H/Q atoms
  Start of MODEL   11
    1   1H    ALA   1          3H        ALA   1  -9.467  11.905  -9.663
    2   2H    ALA   1          2H        ALA   1  -9.772  10.640  -8.571
    3   3H    ALA   1          1H        ALA   1  -9.174  10.300 -10.124
    4    HA   ALA   1           HA       ALA   1 -11.197  11.015 -11.147
    5   1HB   ALA   1          2HB       ALA   1 -11.264   9.005  -8.940
    6   2HB   ALA   1          1HB       ALA   1 -12.799   9.457  -9.676
    7   3HB   ALA   1          3HB       ALA   1 -11.511   8.776 -10.670
    8    H    ARG   2           H        ARG   2 -11.377  11.310  -7.595
    9    HA   ARG   2           HA       ARG   2 -12.965  13.759  -7.921
   10   1HB   ARG   2          2HB       ARG   2 -14.155  11.753  -6.034
   11   2HB   ARG   2          1HB       ARG   2 -14.913  13.114  -6.838
   12   1HG   ARG   2          2HG       ARG   2 -14.866  11.945  -8.975
   13   2HG   ARG   2          1HG       ARG   2 -13.976  10.604  -8.257
   14   1HD   ARG   2          2HD       ARG   2 -15.941   9.644  -7.730
   15   2HD   ARG   2          1HD       ARG   2 -16.272  10.986  -6.636
   16    HE   ARG   2           HE       ARG   2 -17.402  12.122  -8.548
   17   1HH1  ARG   2          1HH2      ARG   2 -16.856  11.080 -11.014
   18   2HH1  ARG   2          2HH2      ARG   2 -17.929   9.743 -11.262
   19   1HH2  ARG   2          1HH1      ARG   2 -18.979   8.792  -9.497
   20   2HH2  ARG   2          2HH1      ARG   2 -18.708   9.402  -7.899
   21    HA   PRO   3           HA       PRO   3 -11.587  13.673  -3.510
   22   1HB   PRO   3          2HB       PRO   3 -10.306  11.550  -2.350
   23   2HB   PRO   3          1HB       PRO   3 -12.062  11.780  -2.309
   24   1HG   PRO   3          2HG       PRO   3 -10.467   9.847  -3.880
   25   2HG   PRO   3          1HG       PRO   3 -12.165   9.763  -3.390
   26   1HD   PRO   3          2HD       PRO   3 -11.165  10.470  -5.950
   27   2HD   PRO   3          1HD       PRO   3 -12.842  10.574  -5.403
   28    H    ALA   4           H        ALA   4  -9.533  14.231  -2.489
   29    HA   ALA   4           HA       ALA   4  -7.477  14.871  -4.341
   30   1HB   ALA   4          2HB       ALA   4  -7.757  14.950  -1.365
   31   2HB   ALA   4          1HB       ALA   4  -6.151  15.160  -2.060
   32   3HB   ALA   4          3HB       ALA   4  -7.453  16.266  -2.498
   33    H    PHE   5           H        PHE   5  -7.864  12.053  -2.220
   34    HA   PHE   5           HA       PHE   5  -5.135  11.167  -2.456
   35   1HB   PHE   5          2HB       PHE   5  -6.784  10.323  -0.730
   36   2HB   PHE   5          1HB       PHE   5  -7.525   9.364  -2.018
   37    HD1  PHE   5           HD2      PHE   5  -4.285  10.018  -0.278
   38    HD2  PHE   5           HD1      PHE   5  -6.555   7.325  -2.738
   39    HE1  PHE   5           HE2      PHE   5  -2.503   8.308  -0.051
   40    HE2  PHE   5           HE1      PHE   5  -4.771   5.618  -2.515
   41    HZ   PHE   5           HZ       PHE   5  -2.744   6.108  -1.171
   42    H    VAL   6           H        VAL   6  -8.088  10.290  -4.290
   43    HA   VAL   6           HA       VAL   6  -6.774   8.409  -6.005
   44    HB   VAL   6           HB       VAL   6  -9.203  10.130  -6.606
   45   1HG1  VAL   6          2HG1      VAL   6  -8.049   7.635  -7.881
   46   2HG1  VAL   6          1HG1      VAL   6  -9.722   8.131  -8.116
   47   3HG1  VAL   6          3HG1      VAL   6  -8.410   9.176  -8.658
   48   1HG2  VAL   6          1HG2      VAL   6  -9.001   8.403  -4.545
   49   2HG2  VAL   6          3HG2      VAL   6 -10.490   8.601  -5.467
   50   3HG2  VAL   6          2HG2      VAL   6  -9.402   7.261  -5.828
   51    H    ASN   7           H        ASN   7  -6.959  11.918  -6.033
   52    HA   ASN   7           HA       ASN   7  -6.075  12.254  -8.767
   53   1HB   ASN   7          2HB       ASN   7  -6.138  14.050  -6.345
   54   2HB   ASN   7          1HB       ASN   7  -5.363  14.574  -7.841
   55   1HD2  ASN   7          2HD2      ASN   7  -8.434  14.849  -9.653
   56   2HD2  ASN   7          1HD2      ASN   7  -6.756  14.658  -9.818
   57    H    LYS   8           H        LYS   8  -4.378  12.186  -5.632
   58    HA   LYS   8           HA       LYS   8  -1.750  12.638  -6.739
   59   1HB   LYS   8          2HB       LYS   8  -2.470  11.195  -4.169
   60   2HB   LYS   8          1HB       LYS   8  -0.921  11.940  -4.558
   61   1HG   LYS   8          2HG       LYS   8  -1.712  14.085  -4.240
   62   2HG   LYS   8          1HG       LYS   8  -3.362  13.661  -4.695
   63   1HD   LYS   8          2HD       LYS   8  -3.788  12.628  -2.583
   64   2HD   LYS   8          1HD       LYS   8  -2.077  12.634  -2.154
   65   1HE   LYS   8          2HE       LYS   8  -3.181  15.301  -2.787
   66   2HE   LYS   8          1HE       LYS   8  -3.873  14.545  -1.353
   67   1HZ   LYS   8          2HZ       LYS   8  -1.571  14.114  -0.595
   68   2HZ   LYS   8          1HZ       LYS   8  -1.000  15.032  -1.905
   69   3HZ   LYS   8          3HZ       LYS   8  -1.949  15.767  -0.707
   70    H    LEU   9           H        LEU   9  -3.791   9.839  -6.395
   71    HA   LEU   9           HA       LEU   9  -1.675   7.874  -6.758
   72   1HB   LEU   9          2HB       LEU   9  -3.878   7.488  -5.557
   73   2HB   LEU   9          1HB       LEU   9  -4.661   7.523  -7.135
   74    HG   LEU   9           HG       LEU   9  -3.083   5.690  -7.857
   75   1HD1  LEU   9          3HD1      LEU   9  -1.788   6.327  -5.459
   76   2HD1  LEU   9          2HD1      LEU   9  -2.565   4.780  -5.131
   77   3HD1  LEU   9          1HD1      LEU   9  -1.451   4.936  -6.488
   78   1HD2  LEU   9          3HD2      LEU   9  -5.431   5.574  -6.207
   79   2HD2  LEU   9          2HD2      LEU   9  -4.884   4.410  -7.413
   80   3HD2  LEU   9          1HD2      LEU   9  -4.362   4.252  -5.737
   81    H    TRP  10           H        TRP  10  -3.887   9.672  -8.820
   82    HA   TRP  10           HA       TRP  10  -3.610   8.042 -11.170
   83   1HB   TRP  10          2HB       TRP  10  -4.632  10.747 -10.504
   84   2HB   TRP  10          1HB       TRP  10  -4.139  10.500 -12.176
   85    HD1  TRP  10           HD1      TRP  10  -6.705  10.673 -12.877
   86    HE1  TRP  10           HE1      TRP  10  -8.587   8.915 -12.880
   87    HE3  TRP  10           HE3      TRP  10  -4.676   7.186  -9.733
   88    HZ2  TRP  10           HZ2      TRP  10  -9.159   6.376 -11.708
   89    HZ3  TRP  10           HZ3      TRP  10  -5.914   5.117  -9.195
   90    HH2  TRP  10           HH2      TRP  10  -8.152   4.704 -10.177
   91    H    SER  11           H        SER  11  -1.377  10.135  -9.603
   92    HA   SER  11           HA       SER  11   0.162  10.466 -12.139
   93   1HB   SER  11          2HB       SER  11  -0.469  12.489 -10.660
   94   2HB   SER  11          1HB       SER  11   0.745  11.879  -9.538
   95    HG   SER  11           HG       SER  11   2.237  11.949 -11.300
   96    H    MET  12           H        MET  12   0.626   9.659  -8.678
   97    HA   MET  12           HA       MET  12   3.345   8.863  -8.926
   98   1HB   MET  12          2HB       MET  12   3.022   7.698  -6.792
   99   2HB   MET  12          1HB       MET  12   2.276   9.291  -6.755
  100   1HG   MET  12          2HG       MET  12   0.447   8.174  -5.985
  101   2HG   MET  12          1HG       MET  12   0.196   7.772  -7.681
  102   1HE   MET  12          1HE       MET  12   2.330   7.183  -4.844
  103   2HE   MET  12          3HE       MET  12   1.826   5.618  -4.191
  104   3HE   MET  12          2HE       MET  12   3.185   5.715  -5.308
  105    H    VAL  13           H        VAL  13   0.352   7.034  -9.516
  106    HA   VAL  13           HA       VAL  13   1.678   4.472  -9.705
  107    HB   VAL  13           HB       VAL  13  -0.936   5.324 -10.986
  108   1HG1  VAL  13          3HG1      VAL  13   0.202   3.172 -11.767
  109   2HG1  VAL  13          2HG1      VAL  13  -0.007   2.573 -10.121
  110   3HG1  VAL  13          1HG1      VAL  13  -1.419   2.974 -11.100
  111   1HG2  VAL  13          2HG2      VAL  13  -0.746   5.652  -8.474
  112   2HG2  VAL  13          1HG2      VAL  13  -1.999   4.520  -8.984
  113   3HG2  VAL  13          3HG2      VAL  13  -0.473   3.915  -8.346
  114    H    ASN  14           H        ASN  14   1.040   7.086 -12.005
  115    HA   ASN  14           HA       ASN  14   1.627   5.710 -14.426
  116   1HB   ASN  14          2HB       ASN  14   1.104   8.346 -13.724
  117   2HB   ASN  14          1HB       ASN  14   2.772   8.417 -14.291
  118   1HD2  ASN  14          2HD2      ASN  14  -0.131   7.189 -16.946
  119   2HD2  ASN  14          1HD2      ASN  14  -0.366   6.920 -15.287
  120    H    ASP  15           H        ASP  15   3.674   6.962 -11.879
  121    HA   ASP  15           HA       ASP  15   5.934   6.673 -11.416
  122   1HB   ASP  15          2HB       ASP  15   5.530   4.311 -13.268
  123   2HB   ASP  15          1HB       ASP  15   6.895   4.532 -12.176
  124    H    LYS  16           H        LYS  16   5.451   8.569 -13.477
  125    HA   LYS  16           HA       LYS  16   7.110   8.109 -15.793
  126   1HB   LYS  16          2HB       LYS  16   5.378   9.998 -15.426
  127   2HB   LYS  16          1HB       LYS  16   6.647  10.819 -14.517
  128   1HG   LYS  16          2HG       LYS  16   7.996  11.104 -16.395
  129   2HG   LYS  16          1HG       LYS  16   7.258   9.752 -17.255
  130   1HD   LYS  16          2HD       LYS  16   5.289  11.000 -17.743
  131   2HD   LYS  16          1HD       LYS  16   5.711  12.261 -16.581
  132   1HE   LYS  16          2HE       LYS  16   6.202  13.084 -18.811
  133   2HE   LYS  16          1HE       LYS  16   7.729  12.785 -17.981
  134   1HZ   LYS  16          2HZ       LYS  16   6.491  10.678 -19.628
  135   2HZ   LYS  16          1HZ       LYS  16   7.413  11.903 -20.359
  136   3HZ   LYS  16          3HZ       LYS  16   8.124  10.885 -19.204
  137    H    SER  17           H        SER  17   7.706   9.196 -12.511
  138    HA   SER  17           HA       SER  17  10.621   9.456 -13.113
  139   1HB   SER  17          2HB       SER  17   9.638  11.449 -12.065
  140   2HB   SER  17          1HB       SER  17   8.979  10.462 -10.763
  141    HG   SER  17           HG       SER  17  10.944  11.416 -10.147
  142    H    ASN  18           H        ASN  18   8.188   7.747 -11.244
  143    HA   ASN  18           HA       ASN  18  10.274   6.184  -9.801
  144   1HB   ASN  18          2HB       ASN  18   7.288   5.822  -9.507
  145   2HB   ASN  18          1HB       ASN  18   8.557   5.445  -8.345
  146   1HD2  ASN  18          2HD2      ASN  18   6.750   8.939  -7.970
  147   2HD2  ASN  18          1HD2      ASN  18   6.094   7.557  -8.704
  148    H    GLU  19           H        GLU  19   9.711   5.948 -12.745
  149    HA   GLU  19           HA       GLU  19   8.166   3.656 -13.372
  150   1HB   GLU  19          2HB       GLU  19   9.054   5.225 -15.061
  151   2HB   GLU  19          1HB       GLU  19  10.684   4.648 -14.742
  152   1HG   GLU  19          2HG       GLU  19   9.001   2.372 -15.248
  153   2HG   GLU  19          1HG       GLU  19   8.744   3.552 -16.531
  154    H    LYS  20           H        LYS  20  11.213   3.848 -11.726
  155    HA   LYS  20           HA       LYS  20  11.835   1.008 -12.302
  156   1HB   LYS  20          2HB       LYS  20  13.489   3.118 -12.053
  157   2HB   LYS  20          1HB       LYS  20  13.466   2.581 -10.373
  158   1HG   LYS  20          2HG       LYS  20  15.177   1.251 -11.176
  159   2HG   LYS  20          1HG       LYS  20  13.804   0.194 -11.502
  160   1HD   LYS  20          2HD       LYS  20  14.348   2.151 -13.644
  161   2HD   LYS  20          1HD       LYS  20  15.646   0.988 -13.386
  162   1HE   LYS  20          2HE       LYS  20  13.004  -0.274 -13.337
  163   2HE   LYS  20          1HE       LYS  20  13.338   0.535 -14.867
  164   1HZ   LYS  20          2HZ       LYS  20  15.551  -0.626 -14.806
  165   2HZ   LYS  20          1HZ       LYS  20  14.934  -1.573 -13.538
  166   3HZ   LYS  20          3HZ       LYS  20  14.202  -1.625 -15.067
  167    H    PHE  21           H        PHE  21   9.464   1.769 -10.662
  168    HA   PHE  21           HA       PHE  21  10.106   0.052  -8.350
  169   1HB   PHE  21          2HB       PHE  21   9.133   2.909  -8.109
  170   2HB   PHE  21          1HB       PHE  21   8.920   1.729  -6.813
  171    HD1  PHE  21           HD1      PHE  21  11.112   0.323  -6.239
  172    HD2  PHE  21           HD2      PHE  21  11.080   4.186  -8.116
  173    HE1  PHE  21           HE1      PHE  21  13.458   0.691  -5.523
  174    HE2  PHE  21           HE2      PHE  21  13.424   4.555  -7.396
  175    HZ   PHE  21           HZ       PHE  21  14.612   2.807  -6.100
  176    H    ILE  22           H        ILE  22   7.169   1.683  -7.754
  177    HA   ILE  22           HA       ILE  22   5.602  -0.633  -8.350
  178    HB   ILE  22           HB       ILE  22   4.932   1.068  -6.670
  179   1HG1  ILE  22          2HG1      ILE  22   2.902   0.920  -8.916
  180   2HG1  ILE  22          1HG1      ILE  22   3.245  -0.423  -7.825
  181   1HG2  ILE  22          1HG2      ILE  22   4.504   2.805  -9.116
  182   2HG2  ILE  22          3HG2      ILE  22   3.917   3.201  -7.502
  183   3HG2  ILE  22          2HG2      ILE  22   5.651   3.096  -7.809
  184   1HD1  ILE  22          2HD1      ILE  22   2.695   2.193  -6.531
  185   2HD1  ILE  22          1HD1      ILE  22   1.325   1.423  -7.333
  186   3HD1  ILE  22          3HD1      ILE  22   2.191   0.572  -6.054
  187    H    HIS  23           H        HIS  23   3.777  -0.660  -9.976
  188    HA   HIS  23           HA       HIS  23   3.742   1.128 -12.217
  189   1HB   HIS  23          2HB       HIS  23   5.934  -0.568 -12.281
  190   2HB   HIS  23          1HB       HIS  23   4.757  -1.423 -13.277
  191    HD1  HIS  23           HD1      HIS  23   4.758  -0.713 -15.665
  192    HD2  HIS  23           HD2      HIS  23   6.054   2.361 -13.161
  193    HE1  HIS  23           HE1      HIS  23   5.377   1.228 -17.172
  194    H    TRP  24           H        TRP  24   2.227   0.374 -13.888
  195    HA   TRP  24           HA       TRP  24   0.000  -1.052 -12.781
  196   1HB   TRP  24          2HB       TRP  24   0.693  -0.183 -15.593
  197   2HB   TRP  24          1HB       TRP  24  -0.810  -1.024 -15.209
  198    HD1  TRP  24           HD1      TRP  24   0.970   2.295 -14.771
  199    HE1  TRP  24           HE1      TRP  24  -0.675   4.013 -13.775
  200    HE3  TRP  24           HE3      TRP  24  -2.958  -0.777 -13.673
  201    HZ2  TRP  24           HZ2      TRP  24  -3.309   4.079 -12.670
  202    HZ3  TRP  24           HZ3      TRP  24  -5.022   0.140 -12.652
  203    HH2  TRP  24           HH2      TRP  24  -5.203   2.561 -12.149
  204    H    SER  25           H        SER  25  -0.933  -3.058 -13.762
  205    HA   SER  25           HA       SER  25   1.115  -5.139 -13.888
  206   1HB   SER  25          2HB       SER  25  -0.920  -6.641 -14.147
  207   2HB   SER  25          1HB       SER  25  -0.876  -5.676 -12.675
  208    HG   SER  25           HG       SER  25  -2.891  -5.704 -14.019
  209    H    THR  26           H        THR  26  -0.608  -3.247 -16.203
  210    HA   THR  26           HA       THR  26  -0.438  -3.177 -18.524
  211    HB   THR  26           HB       THR  26   1.279  -5.664 -18.412
  212    HG1  THR  26           HG1      THR  26   2.937  -4.441 -17.897
  213   1HG2  THR  26          3HG2      THR  26   0.863  -3.416 -20.379
  214   2HG2  THR  26          2HG2      THR  26   2.253  -4.496 -20.458
  215   3HG2  THR  26          1HG2      THR  26   0.623  -5.144 -20.643
  216    H    SER  27           H        SER  27  -0.281  -6.747 -18.125
  217    HA   SER  27           HA       SER  27  -2.699  -6.983 -19.771
  218   1HB   SER  27          2HB       SER  27  -2.293  -9.478 -19.313
  219   2HB   SER  27          1HB       SER  27  -1.047  -8.632 -20.224
  220    HG   SER  27           HG       SER  27  -0.594 -10.014 -18.164
  221    H    GLY  28           H        GLY  28  -4.507  -6.370 -18.609
  222   1HA   GLY  28          2HA       GLY  28  -6.235  -7.543 -17.172
  223   2HA   GLY  28          1HA       GLY  28  -4.949  -7.735 -15.980
  224    H    GLU  29           H        GLU  29  -6.174  -6.519 -14.420
  225    HA   GLU  29           HA       GLU  29  -5.894  -3.587 -14.785
  226   1HB   GLU  29          2HB       GLU  29  -8.465  -5.074 -14.324
  227   2HB   GLU  29          1HB       GLU  29  -8.258  -3.460 -13.641
  228   1HG   GLU  29          2HG       GLU  29  -7.959  -2.472 -15.777
  229   2HG   GLU  29          1HG       GLU  29  -7.669  -4.029 -16.547
  230    H    SER  30           H        SER  30  -4.193  -3.825 -13.203
  231    HA   SER  30           HA       SER  30  -5.031  -3.465 -10.489
  232   1HB   SER  30          2HB       SER  30  -3.628  -5.677  -9.827
  233   2HB   SER  30          1HB       SER  30  -5.377  -5.683 -10.028
  234    HG   SER  30           HG       SER  30  -3.922  -7.260 -11.250
  235    H    ILE  31           H        ILE  31  -3.014  -3.529  -8.992
  236    HA   ILE  31           HA       ILE  31  -0.719  -2.437 -10.552
  237    HB   ILE  31           HB       ILE  31  -1.378  -2.115  -7.603
  238   1HG1  ILE  31          2HG1      ILE  31  -1.587  -0.007  -9.759
  239   2HG1  ILE  31          1HG1      ILE  31  -2.946  -1.069  -9.390
  240   1HG2  ILE  31          1HG2      ILE  31   0.711  -0.881  -9.423
  241   2HG2  ILE  31          3HG2      ILE  31   0.296  -0.219  -7.842
  242   3HG2  ILE  31          2HG2      ILE  31   0.990  -1.835  -7.967
  243   1HD1  ILE  31          1HD1      ILE  31  -2.586  -0.363  -6.931
  244   2HD1  ILE  31          3HD1      ILE  31  -1.596   0.941  -7.586
  245   3HD1  ILE  31          2HD1      ILE  31  -3.303   0.827  -8.016
  246    H    VAL  32           H        VAL  32   1.427  -3.119 -10.015
  247    HA   VAL  32           HA       VAL  32   1.578  -5.657  -8.435
  248    HB   VAL  32           HB       VAL  32   3.116  -5.014 -10.974
  249   1HG1  VAL  32          1HG1      VAL  32   4.225  -6.510  -9.266
  250   2HG1  VAL  32          3HG1      VAL  32   2.868  -7.623  -9.452
  251   3HG1  VAL  32          2HG1      VAL  32   3.926  -7.284 -10.823
  252   1HG2  VAL  32          3HG2      VAL  32   0.489  -5.625 -10.925
  253   2HG2  VAL  32          2HG2      VAL  32   1.573  -6.211 -12.187
  254   3HG2  VAL  32          1HG2      VAL  32   1.158  -7.254 -10.826
  255    H    VAL  33           H        VAL  33   3.076  -5.556  -6.829
  256    HA   VAL  33           HA       VAL  33   5.116  -3.370  -6.966
  257    HB   VAL  33           HB       VAL  33   3.936  -4.696  -4.507
  258   1HG1  VAL  33          3HG1      VAL  33   5.782  -2.311  -4.854
  259   2HG1  VAL  33          2HG1      VAL  33   5.056  -2.808  -3.324
  260   3HG1  VAL  33          1HG1      VAL  33   6.211  -3.865  -4.138
  261   1HG2  VAL  33          1HG2      VAL  33   3.346  -2.081  -5.909
  262   2HG2  VAL  33          3HG2      VAL  33   2.211  -3.366  -5.493
  263   3HG2  VAL  33          2HG2      VAL  33   2.917  -2.366  -4.223
  264    HA   PRO  34           HA       PRO  34   7.604  -7.131  -6.890
  265   1HB   PRO  34          2HB       PRO  34   9.768  -6.129  -8.249
  266   2HB   PRO  34          1HB       PRO  34   8.349  -6.821  -9.055
  267   1HG   PRO  34          2HG       PRO  34   9.153  -3.968  -8.792
  268   2HG   PRO  34          1HG       PRO  34   8.164  -4.747 -10.038
  269   1HD   PRO  34          2HD       PRO  34   7.197  -3.198  -7.880
  270   2HD   PRO  34          1HD       PRO  34   6.226  -4.237  -8.941
  271    H    ASN  35           H        ASN  35   8.882  -3.824  -6.496
  272    HA   ASN  35           HA       ASN  35  10.491  -4.795  -4.167
  273   1HB   ASN  35          2HB       ASN  35  10.962  -2.305  -5.840
  274   2HB   ASN  35          1HB       ASN  35  12.023  -2.954  -4.589
  275   1HD2  ASN  35          2HD2      ASN  35  13.240  -5.627  -6.665
  276   2HD2  ASN  35          1HD2      ASN  35  12.951  -5.195  -5.050
  277    H    ARG  36           H        ARG  36   8.506  -4.536  -2.871
  278    HA   ARG  36           HA       ARG  36   7.257  -1.924  -2.602
  279   1HB   ARG  36          2HB       ARG  36   6.117  -4.117  -2.102
  280   2HB   ARG  36          1HB       ARG  36   7.151  -4.268  -0.682
  281   1HG   ARG  36          2HG       ARG  36   6.144  -1.698  -0.427
  282   2HG   ARG  36          1HG       ARG  36   4.775  -2.586  -1.093
  283   1HD   ARG  36          2HD       ARG  36   4.646  -2.755   1.312
  284   2HD   ARG  36          1HD       ARG  36   5.145  -4.331   0.696
  285    HE   ARG  36           HE       ARG  36   7.537  -3.501   1.263
  286   1HH1  ARG  36          2HH1      ARG  36   6.723  -0.868   2.378
  287   2HH1  ARG  36          1HH1      ARG  36   6.601  -1.198   4.073
  288   1HH2  ARG  36          1HH2      ARG  36   6.498  -4.639   3.666
  289   2HH2  ARG  36          2HH2      ARG  36   6.473  -3.333   4.803
  290    H    GLU  37           H        GLU  37   9.568  -3.805  -0.659
  291    HA   GLU  37           HA       GLU  37   9.791  -2.018   1.530
  292   1HB   GLU  37          2HB       GLU  37  12.023  -3.071   1.897
  293   2HB   GLU  37          1HB       GLU  37  10.752  -4.257   1.606
  294   1HG   GLU  37          2HG       GLU  37  11.621  -3.738  -0.953
  295   2HG   GLU  37          1HG       GLU  37  13.117  -3.598  -0.030
  296    H    ARG  38           H        ARG  38  11.115  -1.780  -1.699
  297    HA   ARG  38           HA       ARG  38  12.925   0.420  -0.874
  298   1HB   ARG  38          2HB       ARG  38  12.784  -1.455  -3.106
  299   2HB   ARG  38          1HB       ARG  38  12.998   0.201  -3.668
  300   1HG   ARG  38          2HG       ARG  38  15.208  -0.536  -3.315
  301   2HG   ARG  38          1HG       ARG  38  14.839   0.353  -1.837
  302   1HD   ARG  38          2HD       ARG  38  14.154  -1.829  -0.782
  303   2HD   ARG  38          1HD       ARG  38  14.748  -2.652  -2.224
  304    HE   ARG  38           HE       ARG  38  16.649  -0.873  -0.808
  305   1HH1  ARG  38          2HH1      ARG  38  16.692  -3.427  -2.797
  306   2HH1  ARG  38          1HH1      ARG  38  17.608  -4.497  -1.789
  307   1HH2  ARG  38          1HH2      ARG  38  17.324  -2.510   1.037
  308   2HH2  ARG  38          2HH2      ARG  38  17.965  -3.978   0.380
  309    H    PHE  39           H        PHE  39   9.900  -0.137  -2.565
  310    HA   PHE  39           HA       PHE  39   9.586   2.367  -3.864
  311   1HB   PHE  39          2HB       PHE  39   8.017   0.656  -4.391
  312   2HB   PHE  39          1HB       PHE  39   7.625   0.376  -2.699
  313    HD1  PHE  39           HD1      PHE  39   7.166   2.700  -5.565
  314    HD2  PHE  39           HD2      PHE  39   6.018   1.732  -1.538
  315    HE1  PHE  39           HE1      PHE  39   5.277   4.303  -5.714
  316    HE2  PHE  39           HE2      PHE  39   4.129   3.330  -1.690
  317    HZ   PHE  39           HZ       PHE  39   3.760   4.615  -3.774
  318    H    VAL  40           H        VAL  40   8.118   1.434  -0.723
  319    HA   VAL  40           HA       VAL  40   7.301   4.004   0.080
  320    HB   VAL  40           HB       VAL  40   8.359   1.829   1.909
  321   1HG1  VAL  40          1HG1      VAL  40   7.873   4.145   2.852
  322   2HG1  VAL  40          3HG1      VAL  40   6.187   3.877   2.406
  323   3HG1  VAL  40          2HG1      VAL  40   6.965   2.822   3.585
  324   1HG2  VAL  40          3HG2      VAL  40   5.726   2.179   0.476
  325   2HG2  VAL  40          2HG2      VAL  40   6.746   0.742   0.564
  326   3HG2  VAL  40          1HG2      VAL  40   5.833   1.265   1.980
  327    H    GLN  41           H        GLN  41  10.344   2.349   0.944
  328    HA   GLN  41           HA       GLN  41  11.561   4.301   2.495
  329   1HB   GLN  41          2HB       GLN  41  12.560   2.170   0.687
  330   2HB   GLN  41          1HB       GLN  41  13.727   3.403   1.166
  331   1HG   GLN  41          2HG       GLN  41  11.969   2.183   3.267
  332   2HG   GLN  41          1HG       GLN  41  13.359   1.270   2.679
  333   1HE2  GLN  41          2HE2      GLN  41  14.290   3.628   5.547
  334   2HE2  GLN  41          1HE2      GLN  41  12.982   2.559   5.374
  335    H    GLU  42           H        GLU  42  11.203   4.390  -1.041
  336    HA   GLU  42           HA       GLU  42  12.405   7.124  -0.925
  337   1HB   GLU  42          2HB       GLU  42  13.023   4.963  -2.949
  338   2HB   GLU  42          1HB       GLU  42  13.503   6.652  -3.130
  339   1HG   GLU  42          2HG       GLU  42  14.475   6.299  -0.691
  340   2HG   GLU  42          1HG       GLU  42  14.485   4.602  -1.179
  341    H    VAL  43           H        VAL  43   9.563   6.355  -1.061
  342    HA   VAL  43           HA       VAL  43   8.889   7.985  -3.414
  343    HB   VAL  43           HB       VAL  43   7.748   5.184  -3.154
  344   1HG1  VAL  43          1HG1      VAL  43   7.250   7.462  -5.084
  345   2HG1  VAL  43          3HG1      VAL  43   6.799   5.795  -5.439
  346   3HG1  VAL  43          2HG1      VAL  43   6.071   6.633  -4.068
  347   1HG2  VAL  43          3HG2      VAL  43   9.711   6.413  -5.116
  348   2HG2  VAL  43          2HG2      VAL  43  10.018   5.070  -4.014
  349   3HG2  VAL  43          1HG2      VAL  43   8.912   4.862  -5.370
  350    H    LEU  44           H        LEU  44   7.674   6.133  -0.595
  351    HA   LEU  44           HA       LEU  44   5.099   7.433  -0.595
  352   1HB   LEU  44          2HB       LEU  44   5.549   5.298   0.602
  353   2HB   LEU  44          1HB       LEU  44   6.547   6.173   1.756
  354    HG   LEU  44           HG       LEU  44   4.556   7.637   2.255
  355   1HD1  LEU  44          2HD1      LEU  44   3.213   5.560   0.503
  356   2HD1  LEU  44          1HD1      LEU  44   2.333   6.633   1.592
  357   3HD1  LEU  44          3HD1      LEU  44   3.256   7.305   0.248
  358   1HD2  LEU  44          2HD2      LEU  44   5.272   5.468   3.508
  359   2HD2  LEU  44          1HD2      LEU  44   3.663   6.116   3.820
  360   3HD2  LEU  44          3HD2      LEU  44   3.863   4.742   2.734
  361    HA   PRO  45           HA       PRO  45   6.937  10.372   2.641
  362   1HB   PRO  45          2HB       PRO  45   9.653  10.619   2.859
  363   2HB   PRO  45          1HB       PRO  45   8.682   9.543   3.879
  364   1HG   PRO  45          2HG       PRO  45  10.482   8.861   1.610
  365   2HG   PRO  45          1HG       PRO  45  10.016   7.882   3.011
  366   1HD   PRO  45          2HD       PRO  45   8.965   7.637   0.407
  367   2HD   PRO  45          1HD       PRO  45   8.290   6.924   1.881
  368    H    LYS  46           H        LYS  46   8.513   9.821  -0.424
  369    HA   LYS  46           HA       LYS  46   9.570  12.447  -0.864
  370   1HB   LYS  46          2HB       LYS  46   9.168   9.996  -2.404
  371   2HB   LYS  46          1HB       LYS  46   8.909  11.436  -3.386
  372   1HG   LYS  46          2HG       LYS  46  11.206  11.166  -3.608
  373   2HG   LYS  46          1HG       LYS  46  11.132  12.259  -2.226
  374   1HD   LYS  46          2HD       LYS  46  10.912   9.489  -1.358
  375   2HD   LYS  46          1HD       LYS  46  12.372   9.732  -2.316
  376   1HE   LYS  46          2HE       LYS  46  11.742  11.802  -0.267
  377   2HE   LYS  46          1HE       LYS  46  12.301  10.234   0.319
  378   1HZ   LYS  46          2HZ       LYS  46  13.705  11.677  -1.845
  379   2HZ   LYS  46          1HZ       LYS  46  14.054  11.972  -0.208
  380   3HZ   LYS  46          3HZ       LYS  46  14.288  10.422  -0.858
  381    H    TYR  47           H        TYR  47   6.309  11.222  -1.030
  382    HA   TYR  47           HA       TYR  47   5.466  13.694  -2.482
  383   1HB   TYR  47          2HB       TYR  47   4.165  10.994  -2.116
  384   2HB   TYR  47          1HB       TYR  47   3.254  12.397  -2.679
  385    HD1  TYR  47           HD2      TYR  47   6.464  10.569  -3.370
  386    HD2  TYR  47           HD1      TYR  47   3.193  12.855  -4.968
  387    HE1  TYR  47           HE2      TYR  47   7.345  10.230  -5.663
  388    HE2  TYR  47           HE1      TYR  47   4.075  12.512  -7.260
  389    HH   TYR  47           HH       TYR  47   5.522  10.902  -8.447
  390    H    PHE  48           H        PHE  48   4.714  11.705   0.376
  391    HA   PHE  48           HA       PHE  48   3.109  13.985   1.446
  392   1HB   PHE  48          2HB       PHE  48   3.190  11.103   2.387
  393   2HB   PHE  48          1HB       PHE  48   2.076  12.354   2.937
  394    HD1  PHE  48           HD2      PHE  48   3.176  10.511  -0.134
  395    HD2  PHE  48           HD1      PHE  48   0.048  12.734   1.802
  396    HE1  PHE  48           HE2      PHE  48   1.632   9.968  -2.000
  397    HE2  PHE  48           HE1      PHE  48  -1.492  12.188  -0.062
  398    HZ   PHE  48           HZ       PHE  48  -0.702  10.807  -1.962
  399    H    LYS  49           H        LYS  49   5.816  11.842   2.106
  400    HA   LYS  49           HA       LYS  49   7.553  11.995   3.670
  401   1HB   LYS  49          2HB       LYS  49   7.148  14.556   2.860
  402   2HB   LYS  49          1HB       LYS  49   6.841  14.691   4.586
  403   1HG   LYS  49          2HG       LYS  49   9.011  13.560   5.045
  404   2HG   LYS  49          1HG       LYS  49   9.333  13.539   3.310
  405   1HD   LYS  49          2HD       LYS  49   9.487  15.898   3.193
  406   2HD   LYS  49          1HD       LYS  49   8.698  16.110   4.756
  407   1HE   LYS  49          2HE       LYS  49  11.140  16.488   4.917
  408   2HE   LYS  49          1HE       LYS  49  10.636  15.107   5.890
  409   1HZ   LYS  49          2HZ       LYS  49  11.491  14.695   3.107
  410   2HZ   LYS  49          1HZ       LYS  49  12.663  14.901   4.318
  411   3HZ   LYS  49          3HZ       LYS  49  11.556  13.621   4.421
  412    H    HIS  50           H        HIS  50   7.871  11.741   5.948
  413    HA   HIS  50           HA       HIS  50   7.172  11.152   8.111
  414   1HB   HIS  50          2HB       HIS  50   5.285  13.437   7.490
  415   2HB   HIS  50          1HB       HIS  50   5.340  12.644   9.065
  416    HD1  HIS  50           HD1      HIS  50   8.387  12.218   9.314
  417    HD2  HIS  50           HD2      HIS  50   6.650  15.799   8.075
  418    HE1  HIS  50           HE1      HIS  50  10.089  14.035   9.771
  419    H    SER  51           H        SER  51   6.130   9.620   5.930
  420    HA   SER  51           HA       SER  51   3.451   8.856   7.023
  421   1HB   SER  51          2HB       SER  51   3.634   9.834   4.606
  422   2HB   SER  51          1HB       SER  51   4.316   8.262   4.200
  423    HG   SER  51           HG       SER  51   1.897   8.644   4.112
  424    H    ASN  52           H        ASN  52   2.991   6.454   6.307
  425    HA   ASN  52           HA       ASN  52   5.457   4.797   6.462
  426   1HB   ASN  52          2HB       ASN  52   3.377   5.084   8.533
  427   2HB   ASN  52          1HB       ASN  52   3.709   3.410   8.093
  428   1HD2  ASN  52          2HD2      ASN  52   6.658   3.374  10.006
  429   2HD2  ASN  52          1HD2      ASN  52   5.336   2.519   9.370
  430    H    PHE  53           H        PHE  53   4.950   2.476   5.924
  431    HA   PHE  53           HA       PHE  53   3.460   2.253   3.519
  432   1HB   PHE  53          2HB       PHE  53   3.693  -0.205   3.832
  433   2HB   PHE  53          1HB       PHE  53   5.215   0.649   4.085
  434    HD1  PHE  53           HD1      PHE  53   2.397  -1.076   5.749
  435    HD2  PHE  53           HD2      PHE  53   6.244   0.759   6.275
  436    HE1  PHE  53           HE1      PHE  53   2.539  -2.030   8.032
  437    HE2  PHE  53           HE2      PHE  53   6.387  -0.196   8.560
  438    HZ   PHE  53           HZ       PHE  53   4.533  -1.591   9.438
  439    H    ALA  54           H        ALA  54   2.518   1.668   6.868
  440    HA   ALA  54           HA       ALA  54   0.005   0.388   6.296
  441   1HB   ALA  54          1HB       ALA  54   1.356   0.589   8.540
  442   2HB   ALA  54          3HB       ALA  54   0.428   2.074   8.746
  443   3HB   ALA  54          2HB       ALA  54  -0.405   0.527   8.590
  444    H    SER  55           H        SER  55   1.003   3.757   6.553
  445    HA   SER  55           HA       SER  55  -1.651   4.881   6.672
  446   1HB   SER  55          2HB       SER  55   1.102   5.875   6.249
  447   2HB   SER  55          1HB       SER  55  -0.165   6.854   5.517
  448    HG   SER  55           HG       SER  55  -1.014   7.232   7.468
  449    H    PHE  56           H        PHE  56   0.613   4.268   3.989
  450    HA   PHE  56           HA       PHE  56  -0.994   5.355   1.898
  451   1HB   PHE  56          2HB       PHE  56   1.406   4.687   1.671
  452   2HB   PHE  56          1HB       PHE  56   0.913   2.996   1.750
  453    HD1  PHE  56           HD2      PHE  56  -0.527   5.981  -0.013
  454    HD2  PHE  56           HD1      PHE  56   1.109   2.027  -0.362
  455    HE1  PHE  56           HE2      PHE  56  -0.988   6.008  -2.451
  456    HE2  PHE  56           HE1      PHE  56   0.649   2.052  -2.800
  457    HZ   PHE  56           HZ       PHE  56  -0.399   4.043  -3.843
  458    H    VAL  57           H        VAL  57  -0.756   2.030   3.140
  459    HA   VAL  57           HA       VAL  57  -2.694   0.862   1.407
  460    HB   VAL  57           HB       VAL  57  -2.038   0.040   4.250
  461   1HG1  VAL  57          1HG1      VAL  57  -4.017  -1.062   3.256
  462   2HG1  VAL  57          3HG1      VAL  57  -3.047  -1.536   1.862
  463   3HG1  VAL  57          2HG1      VAL  57  -2.684  -2.200   3.455
  464   1HG2  VAL  57          3HG2      VAL  57  -0.225   0.314   2.178
  465   2HG2  VAL  57          2HG2      VAL  57  -0.044  -0.789   3.541
  466   3HG2  VAL  57          1HG2      VAL  57  -0.722  -1.372   2.023
  467    H    ARG  58           H        ARG  58  -3.029   2.754   4.346
  468    HA   ARG  58           HA       ARG  58  -5.758   2.012   4.929
  469   1HB   ARG  58          2HB       ARG  58  -3.812   4.017   5.863
  470   2HB   ARG  58          1HB       ARG  58  -5.482   4.580   5.913
  471   1HG   ARG  58          2HG       ARG  58  -5.699   2.014   6.919
  472   2HG   ARG  58          1HG       ARG  58  -4.143   2.540   7.559
  473   1HD   ARG  58          2HD       ARG  58  -5.150   3.883   9.060
  474   2HD   ARG  58          1HD       ARG  58  -6.092   4.674   7.797
  475    HE   ARG  58           HE       ARG  58  -7.762   2.826   8.052
  476   1HH1  ARG  58          2HH1      ARG  58  -7.507   0.706   9.455
  477   2HH1  ARG  58          1HH1      ARG  58  -7.461   1.067  11.149
  478   1HH2  ARG  58          1HH2      ARG  58  -6.780   4.436  10.680
  479   2HH2  ARG  58          2HH2      ARG  58  -7.049   3.181  11.842
  480    H    GLN  59           H        GLN  59  -4.303   4.689   3.075
  481    HA   GLN  59           HA       GLN  59  -6.747   6.030   2.446
  482   1HB   GLN  59          2HB       GLN  59  -4.100   5.884   0.981
  483   2HB   GLN  59          1HB       GLN  59  -5.430   6.914   0.458
  484   1HG   GLN  59          2HG       GLN  59  -4.093   7.039   3.180
  485   2HG   GLN  59          1HG       GLN  59  -3.814   8.165   1.851
  486   1HE2  GLN  59          2HE2      GLN  59  -7.023   8.683   4.238
  487   2HE2  GLN  59          1HE2      GLN  59  -5.841   7.508   4.555
  488    H    LEU  60           H        LEU  60  -4.907   3.574   0.606
  489    HA   LEU  60           HA       LEU  60  -6.665   3.408  -1.621
  490   1HB   LEU  60          2HB       LEU  60  -4.889   1.304  -0.354
  491   2HB   LEU  60          1HB       LEU  60  -5.694   1.105  -1.910
  492    HG   LEU  60           HG       LEU  60  -3.927   3.486  -1.343
  493   1HD1  LEU  60          2HD1      LEU  60  -3.116   0.805  -2.512
  494   2HD1  LEU  60          1HD1      LEU  60  -2.102   2.246  -2.464
  495   3HD1  LEU  60          3HD1      LEU  60  -2.582   1.457  -0.962
  496   1HD2  LEU  60          3HD2      LEU  60  -5.486   3.540  -3.283
  497   2HD2  LEU  60          2HD2      LEU  60  -3.797   3.547  -3.793
  498   3HD2  LEU  60          1HD2      LEU  60  -4.745   2.063  -3.898
  499    H    ASN  61           H        ASN  61  -6.771   1.790   1.530
  500    HA   ASN  61           HA       ASN  61  -8.981   0.045   0.817
  501   1HB   ASN  61          2HB       ASN  61  -7.650   0.812   3.409
  502   2HB   ASN  61          1HB       ASN  61  -9.101  -0.191   3.389
  503   1HD2  ASN  61          2HD2      ASN  61  -7.414  -2.929   1.690
  504   2HD2  ASN  61          1HD2      ASN  61  -8.908  -2.124   1.708
  505    H    MET  62           H        MET  62  -8.762   3.348   1.883
  506    HA   MET  62           HA       MET  62 -11.515   3.421   2.905
  507   1HB   MET  62          2HB       MET  62  -9.345   5.477   2.523
  508   2HB   MET  62          1HB       MET  62 -10.996   5.961   2.905
  509   1HG   MET  62          2HG       MET  62 -10.885   4.312   4.853
  510   2HG   MET  62          1HG       MET  62  -9.150   4.225   4.553
  511   1HE   MET  62          3HE       MET  62  -8.794   4.686   6.750
  512   2HE   MET  62          2HE       MET  62  -7.608   5.880   6.229
  513   3HE   MET  62          1HE       MET  62  -8.731   6.273   7.529
  514    H    TYR  63           H        TYR  63 -10.520   3.044  -0.162
  515    HA   TYR  63           HA       TYR  63 -12.650   4.855  -1.218
  516   1HB   TYR  63          2HB       TYR  63  -9.996   4.135  -2.492
  517   2HB   TYR  63          1HB       TYR  63 -11.293   4.999  -3.322
  518    HD1  TYR  63           HD2      TYR  63 -12.329   6.997  -1.797
  519    HD2  TYR  63           HD1      TYR  63  -8.325   5.461  -1.555
  520    HE1  TYR  63           HE2      TYR  63 -11.575   9.121  -0.762
  521    HE2  TYR  63           HE1      TYR  63  -7.572   7.585  -0.518
  522    HH   TYR  63           HH       TYR  63  -9.296   9.622   0.948
  523    H    GLY  64           H        GLY  64 -10.959   1.745  -1.575
  524   1HA   GLY  64          2HA       GLY  64 -13.086   0.096  -2.027
  525   2HA   GLY  64          1HA       GLY  64 -12.854   0.822  -3.618
  526    H    TRP  65           H        TRP  65  -9.871   0.999  -3.068
  527    HA   TRP  65           HA       TRP  65  -9.027  -1.336  -4.403
  528   1HB   TRP  65          2HB       TRP  65  -7.513   0.516  -2.545
  529   2HB   TRP  65          1HB       TRP  65  -6.739  -0.752  -3.493
  530    HD1  TRP  65           HD1      TRP  65  -8.428   2.634  -3.813
  531    HE1  TRP  65           HE1      TRP  65  -8.065   3.535  -6.203
  532    HE3  TRP  65           HE3      TRP  65  -6.361  -1.492  -5.999
  533    HZ2  TRP  65           HZ2      TRP  65  -7.034   2.619  -8.709
  534    HZ3  TRP  65           HZ3      TRP  65  -5.699  -1.451  -8.386
  535    HH2  TRP  65           HH2      TRP  65  -6.032   0.597  -9.743
  536    H    HIS  66           H        HIS  66  -8.662  -3.395  -3.753
  537    HA   HIS  66           HA       HIS  66  -8.570  -3.948  -0.812
  538   1HB   HIS  66          2HB       HIS  66  -9.854  -5.559  -3.038
  539   2HB   HIS  66          1HB       HIS  66  -9.620  -6.166  -1.399
  540    HD1  HIS  66           HD1      HIS  66 -12.477  -5.805  -2.519
  541    HD2  HIS  66           HD2      HIS  66 -10.478  -2.899  -0.299
  542    HE1  HIS  66           HE1      HIS  66 -14.262  -4.311  -1.522
  543    H    LYS  67           H        LYS  67  -7.110  -5.615  -0.171
  544    HA   LYS  67           HA       LYS  67  -4.873  -6.007  -2.049
  545   1HB   LYS  67          2HB       LYS  67  -5.295  -6.276   0.884
  546   2HB   LYS  67          1HB       LYS  67  -4.105  -7.357   0.160
  547   1HG   LYS  67          2HG       LYS  67  -2.618  -5.666   0.148
  548   2HG   LYS  67          1HG       LYS  67  -3.651  -4.797  -0.985
  549   1HD   LYS  67          2HD       LYS  67  -3.730  -3.245   0.689
  550   2HD   LYS  67          1HD       LYS  67  -4.975  -4.312   1.338
  551   1HE   LYS  67          2HE       LYS  67  -2.675  -5.503   2.270
  552   2HE   LYS  67          1HE       LYS  67  -2.250  -3.793   2.329
  553   1HZ   LYS  67          3HZ       LYS  67  -4.304  -3.378   3.550
  554   2HZ   LYS  67          2HZ       LYS  67  -4.666  -5.038   3.524
  555   3HZ   LYS  67          1HZ       LYS  67  -3.305  -4.475   4.373
  556    H    VAL  68           H        VAL  68  -6.428  -7.365  -3.419
  557    HA   VAL  68           HA       VAL  68  -7.008  -9.466  -4.268
  558    HB   VAL  68           HB       VAL  68  -5.070 -10.506  -2.176
  559   1HG1  VAL  68          2HG1      VAL  68  -6.269 -11.658  -4.700
  560   2HG1  VAL  68          1HG1      VAL  68  -4.814 -12.320  -3.956
  561   3HG1  VAL  68          3HG1      VAL  68  -6.337 -12.321  -3.066
  562   1HG2  VAL  68          1HG2      VAL  68  -4.656  -9.501  -5.005
  563   2HG2  VAL  68          3HG2      VAL  68  -3.921  -8.871  -3.531
  564   3HG2  VAL  68          2HG2      VAL  68  -3.462 -10.464  -4.135
  565    H    GLN  69           H        GLN  69  -8.383 -11.293  -3.770
  566    HA   GLN  69           HA       GLN  69  -9.672 -11.074  -1.077
  567   1HB   GLN  69          2HB       GLN  69 -10.771 -11.683  -3.816
  568   2HB   GLN  69          1HB       GLN  69 -11.629 -12.209  -2.368
  569   1HG   GLN  69          2HG       GLN  69 -12.007 -10.014  -1.634
  570   2HG   GLN  69          1HG       GLN  69 -10.699  -9.359  -2.621
  571   1HE2  GLN  69          2HE2      GLN  69 -12.709  -9.584  -5.677
  572   2HE2  GLN  69          1HE2      GLN  69 -11.138  -9.949  -5.152
  573    H    ASP  70           H        ASP  70  -8.317 -13.253  -3.481
  574    HA   ASP  70           HA       ASP  70  -9.172 -15.726  -2.312
  575   1HB   ASP  70          2HB       ASP  70  -7.116 -14.860  -4.269
  576   2HB   ASP  70          1HB       ASP  70  -6.794 -16.389  -3.450
  577    H    VAL  71           H        VAL  71  -8.828 -15.927  -0.108
  578    HA   VAL  71           HA       VAL  71  -5.978 -15.833   0.777
  579    HB   VAL  71           HB       VAL  71  -6.813 -14.943   2.985
  580   1HG1  VAL  71          2HG1      VAL  71  -5.962 -13.596   0.857
  581   2HG1  VAL  71          1HG1      VAL  71  -7.616 -12.984   0.870
  582   3HG1  VAL  71          3HG1      VAL  71  -6.578 -12.750   2.276
  583   1HG2  VAL  71          2HG2      VAL  71  -9.274 -15.643   2.150
  584   2HG2  VAL  71          1HG2      VAL  71  -9.014 -14.341   3.310
  585   3HG2  VAL  71          3HG2      VAL  71  -9.271 -13.967   1.606
  586    H    LYS  72           H        LYS  72  -6.324 -18.212   0.296
  587    HA   LYS  72           HA       LYS  72  -7.727 -19.569   2.563
  588   1HB   LYS  72          2HB       LYS  72  -8.293 -20.020   0.014
  589   2HB   LYS  72          1HB       LYS  72  -6.855 -21.041   0.100
  590   1HG   LYS  72          2HG       LYS  72  -8.856 -21.293   2.301
  591   2HG   LYS  72          1HG       LYS  72  -9.276 -21.987   0.734
  592   1HD   LYS  72          2HD       LYS  72  -6.728 -22.884   0.966
  593   2HD   LYS  72          1HD       LYS  72  -7.181 -22.816   2.669
  594   1HE   LYS  72          2HE       LYS  72  -7.810 -24.994   1.946
  595   2HE   LYS  72          1HE       LYS  72  -9.312 -24.071   1.992
  596   1HZ   LYS  72          3HZ       LYS  72  -9.069 -23.650  -0.383
  597   2HZ   LYS  72          2HZ       LYS  72  -7.648 -24.580  -0.414
  598   3HZ   LYS  72          1HZ       LYS  72  -9.138 -25.314  -0.058
  599    H    SER  73           H        SER  73  -4.889 -20.008   0.409
  600    HA   SER  73           HA       SER  73  -3.523 -21.527   2.550
  601   1HB   SER  73          2HB       SER  73  -3.094 -21.090  -0.371
  602   2HB   SER  73          1HB       SER  73  -1.668 -21.409   0.615
  603    HG   SER  73           HG       SER  73  -2.805 -23.296  -0.256
  604    H    GLY  74           H        GLY  74  -3.033 -18.558   0.630
  605   1HA   GLY  74          2HA       GLY  74  -2.221 -16.501   1.629
  606   2HA   GLY  74          1HA       GLY  74  -1.445 -17.455   2.892
  607    H    SER  75           H        SER  75  -0.314 -19.381   0.943
  608    HA   SER  75           HA       SER  75   1.691 -19.658  -0.242
  609   1HB   SER  75          2HB       SER  75   0.768 -16.978  -1.302
  610   2HB   SER  75          1HB       SER  75   2.213 -17.788  -1.900
  611    HG   SER  75           HG       SER  75   0.899 -19.570  -2.431
  612    H    MET  76           H        MET  76   2.820 -19.517   1.861
  613    HA   MET  76           HA       MET  76   4.641 -17.164   1.910
  614   1HB   MET  76          2HB       MET  76   4.476 -17.131   4.409
  615   2HB   MET  76          1HB       MET  76   2.962 -16.697   3.615
  616   1HG   MET  76          2HG       MET  76   2.090 -18.947   3.945
  617   2HG   MET  76          1HG       MET  76   3.631 -19.480   4.614
  618   1HE   MET  76          2HE       MET  76   3.457 -20.156   6.825
  619   2HE   MET  76          1HE       MET  76   2.298 -19.589   8.026
  620   3HE   MET  76          3HE       MET  76   1.731 -20.353   6.535
  621    H    LEU  77           H        LEU  77   5.435 -19.481   0.768
  622    HA   LEU  77           HA       LEU  77   6.715 -21.213   2.778
  623   1HB   LEU  77          2HB       LEU  77   6.552 -21.239  -0.234
  624   2HB   LEU  77          1HB       LEU  77   7.675 -22.290   0.628
  625    HG   LEU  77           HG       LEU  77   5.299 -22.631   2.033
  626   1HD1  LEU  77          2HD1      LEU  77   4.751 -21.929  -0.802
  627   2HD1  LEU  77          1HD1      LEU  77   3.903 -23.339  -0.169
  628   3HD1  LEU  77          3HD1      LEU  77   3.718 -21.770   0.618
  629   1HD2  LEU  77          3HD2      LEU  77   6.876 -24.156   0.020
  630   2HD2  LEU  77          2HD2      LEU  77   6.425 -24.600   1.666
  631   3HD2  LEU  77          1HD2      LEU  77   5.252 -24.753   0.358
  632    H    SER  78           H        SER  78   8.025 -19.384   3.651
  633    HA   SER  78           HA       SER  78  10.071 -18.269   3.881
  634   1HB   SER  78          2HB       SER  78  10.777 -20.705   3.238
  635   2HB   SER  78          1HB       SER  78  11.186 -19.990   1.681
  636    HG   SER  78           HG       SER  78  12.514 -18.512   2.804
  637    H    ASN  79           H        ASN  79   8.109 -17.311   1.889
  638    HA   ASN  79           HA       ASN  79   9.817 -16.243  -0.282
  639   1HB   ASN  79          2HB       ASN  79   6.934 -16.630   0.157
  640   2HB   ASN  79          1HB       ASN  79   7.325 -15.074  -0.577
  641   1HD2  ASN  79          2HD2      ASN  79   8.673 -18.368  -2.654
  642   2HD2  ASN  79          1HD2      ASN  79   8.837 -18.334  -0.964
  643    H    ASN  80           H        ASN  80   8.532 -15.291   2.795
  644    HA   ASN  80           HA       ASN  80   8.842 -13.342   4.038
  645   1HB   ASN  80          2HB       ASN  80  11.084 -13.441   2.449
  646   2HB   ASN  80          1HB       ASN  80  10.402 -11.876   2.003
  647   1HD2  ASN  80          2HD2      ASN  80  12.297 -12.223   5.515
  648   2HD2  ASN  80          1HD2      ASN  80  12.382 -13.394   4.289
  649    H    ASP  81           H        ASP  81   6.958 -13.614   1.466
  650    HA   ASP  81           HA       ASP  81   5.341 -12.275   0.430
  651   1HB   ASP  81          2HB       ASP  81   5.693 -10.619   2.946
  652   2HB   ASP  81          1HB       ASP  81   4.288 -10.618   1.881
  653    H    SER  82           H        SER  82   7.044 -11.662  -1.183
  654    HA   SER  82           HA       SER  82   7.797  -8.777  -0.924
  655   1HB   SER  82          2HB       SER  82   9.508  -9.497  -2.778
  656   2HB   SER  82          1HB       SER  82   9.845  -9.889  -1.093
  657    HG   SER  82           HG       SER  82   9.859 -11.587  -2.946
  658    H    ARG  83           H        ARG  83   5.248  -9.872  -1.925
  659    HA   ARG  83           HA       ARG  83   5.273  -8.521  -4.558
  660   1HB   ARG  83          2HB       ARG  83   4.403 -11.382  -4.103
  661   2HB   ARG  83          1HB       ARG  83   3.857 -10.435  -5.487
  662   1HG   ARG  83          2HG       ARG  83   6.475  -9.947  -5.707
  663   2HG   ARG  83          1HG       ARG  83   6.577 -11.498  -4.871
  664   1HD   ARG  83          2HD       ARG  83   4.944 -12.396  -6.612
  665   2HD   ARG  83          1HD       ARG  83   5.220 -10.903  -7.509
  666    HE   ARG  83           HE       ARG  83   7.603 -12.500  -6.764
  667   1HH1  ARG  83          2HH1      ARG  83   7.398 -10.259  -8.848
  668   2HH1  ARG  83          1HH1      ARG  83   7.457 -11.176 -10.316
  669   1HH2  ARG  83          1HH2      ARG  83   6.774 -14.201  -8.765
  670   2HH2  ARG  83          2HH2      ARG  83   7.103 -13.409 -10.270
  671    H    TRP  84           H        TRP  84   3.737  -6.984  -4.254
  672    HA   TRP  84           HA       TRP  84   1.263  -7.753  -2.757
  673   1HB   TRP  84          2HB       TRP  84   2.580  -5.043  -3.083
  674   2HB   TRP  84          1HB       TRP  84   1.020  -5.304  -2.303
  675    HD1  TRP  84           HD1      TRP  84   4.559  -6.852  -1.995
  676    HE1  TRP  84           HE1      TRP  84   5.078  -7.154   0.512
  677    HE3  TRP  84           HE3      TRP  84   0.212  -5.094   0.023
  678    HZ2  TRP  84           HZ2      TRP  84   3.816  -6.709   3.039
  679    HZ3  TRP  84           HZ3      TRP  84  -0.104  -5.043   2.479
  680    HH2  TRP  84           HH2      TRP  84   1.690  -5.847   3.990
  681    H    GLU  85           H        GLU  85  -0.512  -7.892  -4.005
  682    HA   GLU  85           HA       GLU  85  -0.546  -6.388  -6.591
  683   1HB   GLU  85          2HB       GLU  85  -2.202  -8.824  -5.867
  684   2HB   GLU  85          1HB       GLU  85  -2.006  -8.101  -7.463
  685   1HG   GLU  85          2HG       GLU  85  -0.398  -9.700  -7.719
  686   2HG   GLU  85          1HG       GLU  85   0.600  -8.569  -6.805
  687    H    PHE  86           H        PHE  86  -2.120  -4.844  -6.811
  688    HA   PHE  86           HA       PHE  86  -4.211  -4.738  -4.679
  689   1HB   PHE  86          2HB       PHE  86  -3.116  -2.484  -6.389
  690   2HB   PHE  86          1HB       PHE  86  -4.323  -2.316  -5.122
  691    HD1  PHE  86           HD1      PHE  86  -2.687  -4.589  -3.412
  692    HD2  PHE  86           HD2      PHE  86  -1.754  -0.781  -5.169
  693    HE1  PHE  86           HE1      PHE  86  -0.885  -4.260  -1.745
  694    HE2  PHE  86           HE2      PHE  86   0.050  -0.458  -3.503
  695    HZ   PHE  86           HZ       PHE  86   0.486  -2.196  -1.789
  696    H    GLU  87           H        GLU  87  -6.353  -4.540  -5.267
  697    HA   GLU  87           HA       GLU  87  -7.003  -4.399  -8.170
  698   1HB   GLU  87          2HB       GLU  87  -7.124  -6.758  -6.724
  699   2HB   GLU  87          1HB       GLU  87  -8.776  -6.155  -6.602
  700   1HG   GLU  87          2HG       GLU  87  -8.859  -5.902  -9.063
  701   2HG   GLU  87          1HG       GLU  87  -7.215  -6.531  -9.178
  702    H    ASN  88           H        ASN  88  -9.785  -4.600  -7.884
  703    HA   ASN  88           HA       ASN  88 -10.920  -3.054  -5.782
  704   1HB   ASN  88          2HB       ASN  88 -11.303  -0.914  -7.086
  705   2HB   ASN  88          1HB       ASN  88  -9.637  -1.169  -6.565
  706   1HD2  ASN  88          2HD2      ASN  88 -10.325  -0.664 -10.452
  707   2HD2  ASN  88          1HD2      ASN  88 -11.411  -0.224  -9.223
  708    H    GLU  89           H        GLU  89 -12.757  -4.294  -5.955
  709    HA   GLU  89           HA       GLU  89 -14.088  -4.458  -8.621
  710   1HB   GLU  89          2HB       GLU  89 -13.794  -6.296  -6.354
  711   2HB   GLU  89          1HB       GLU  89 -15.467  -6.150  -6.889
  712   1HG   GLU  89          2HG       GLU  89 -14.825  -7.744  -8.398
  713   2HG   GLU  89          1HG       GLU  89 -14.232  -6.344  -9.291
  714    H    ARG  90           H        ARG  90 -15.511  -4.691  -5.363
  715    HA   ARG  90           HA       ARG  90 -16.699  -2.127  -5.220
  716   1HB   ARG  90          2HB       ARG  90 -17.979  -3.897  -7.137
  717   2HB   ARG  90          1HB       ARG  90 -19.095  -3.510  -5.831
  718   1HG   ARG  90          2HG       ARG  90 -17.543  -1.473  -7.463
  719   2HG   ARG  90          1HG       ARG  90 -19.246  -1.863  -7.676
  720   1HD   ARG  90          2HD       ARG  90 -19.883  -0.763  -5.758
  721   2HD   ARG  90          1HD       ARG  90 -18.362  -1.098  -4.934
  722    HE   ARG  90           HE       ARG  90 -17.493   0.907  -5.828
  723   1HH1  ARG  90          2HH1      ARG  90 -17.379   1.378  -8.387
  724   2HH1  ARG  90          1HH1      ARG  90 -18.823   2.175  -8.915
  725   1HH2  ARG  90          1HH2      ARG  90 -20.652   1.304  -6.102
  726   2HH2  ARG  90          2HH2      ARG  90 -20.674   2.134  -7.623
  727    H    HIS  91           H        HIS  91 -19.121  -2.660  -3.989
  728    HA   HIS  91           HA       HIS  91 -18.883  -4.920  -2.157
  729   1HB   HIS  91          2HB       HIS  91 -18.772  -3.467  -0.108
  730   2HB   HIS  91          1HB       HIS  91 -17.292  -3.447  -1.066
  731    HD1  HIS  91           HD1      HIS  91 -19.426  -1.181   0.619
  732    HD2  HIS  91           HD2      HIS  91 -17.561  -1.116  -3.110
  733    HE1  HIS  91           HE1      HIS  91 -19.363   1.244  -0.109
  734    H    ALA  92           HN       ALA  92 -21.003  -5.239  -3.118
  735    HA   ALA  92           HA       ALA  92 -23.096  -3.242  -2.557
  736   1HB   ALA  92          3HB       ALA  92 -22.784  -5.112  -4.541
  737   2HB   ALA  92          2HB       ALA  92 -23.923  -5.927  -3.469
  738   3HB   ALA  92          1HB       ALA  92 -24.316  -4.340  -4.132
   
  No H/Q in entry =         738
  Start of MODEL          12
 Raw file had  756 H/Q atoms
  Start of MODEL   12
    1   1H    ALA   1          2H        ALA   1 -14.466  17.932  -3.812
    2   2H    ALA   1          1H        ALA   1 -14.766  18.874  -5.194
    3   3H    ALA   1          3H        ALA   1 -15.883  18.864  -3.918
    4    HA   ALA   1           HA       ALA   1 -16.606  16.713  -4.377
    5   1HB   ALA   1          3HB       ALA   1 -16.003  18.184  -6.959
    6   2HB   ALA   1          2HB       ALA   1 -17.060  16.776  -6.860
    7   3HB   ALA   1          1HB       ALA   1 -17.489  18.262  -6.012
    8    H    ARG   2           H        ARG   2 -13.532  17.461  -5.946
    9    HA   ARG   2           HA       ARG   2 -13.147  14.646  -6.751
   10   1HB   ARG   2          2HB       ARG   2 -11.695  17.228  -7.198
   11   2HB   ARG   2          1HB       ARG   2 -10.800  15.718  -7.369
   12   1HG   ARG   2          2HG       ARG   2 -13.463  15.840  -8.691
   13   2HG   ARG   2          1HG       ARG   2 -12.180  16.822  -9.403
   14   1HD   ARG   2          2HD       ARG   2 -10.713  14.769  -9.384
   15   2HD   ARG   2          1HD       ARG   2 -12.128  13.836  -8.897
   16    HE   ARG   2           HE       ARG   2 -13.172  14.731 -11.081
   17   1HH1  ARG   2          2HH1      ARG   2 -10.152  15.923 -11.217
   18   2HH1  ARG   2          1HH1      ARG   2  -9.613  15.025 -12.597
   19   1HH2  ARG   2          1HH2      ARG   2 -12.330  12.872 -12.591
   20   2HH2  ARG   2          2HH2      ARG   2 -10.845  13.299 -13.374
   21    HA   PRO   3           HA       PRO   3 -10.932  13.926  -3.009
   22   1HB   PRO   3          2HB       PRO   3  -9.928  11.428  -3.542
   23   2HB   PRO   3          1HB       PRO   3 -11.611  11.724  -3.069
   24   1HG   PRO   3          2HG       PRO   3 -10.510  11.024  -5.739
   25   2HG   PRO   3          1HG       PRO   3 -12.135  10.754  -5.087
   26   1HD   PRO   3          2HD       PRO   3 -11.373  12.799  -6.894
   27   2HD   PRO   3          1HD       PRO   3 -12.914  12.683  -6.024
   28    H    ALA   4           H        ALA   4  -9.043  15.035  -2.696
   29    HA   ALA   4           HA       ALA   4  -6.991  15.363  -4.640
   30   1HB   ALA   4          2HB       ALA   4  -7.470  16.749  -2.509
   31   2HB   ALA   4          1HB       ALA   4  -6.493  15.543  -1.671
   32   3HB   ALA   4          3HB       ALA   4  -5.785  16.510  -2.966
   33    H    PHE   5           H        PHE   5  -7.538  12.815  -2.296
   34    HA   PHE   5           HA       PHE   5  -4.834  11.789  -2.281
   35   1HB   PHE   5          2HB       PHE   5  -6.470  11.194  -0.520
   36   2HB   PHE   5          1HB       PHE   5  -7.444  10.343  -1.719
   37    HD1  PHE   5           HD2      PHE   5  -4.094  10.388  -0.072
   38    HD2  PHE   5           HD1      PHE   5  -6.906   8.134  -2.408
   39    HE1  PHE   5           HE2      PHE   5  -2.695   8.355   0.201
   40    HE2  PHE   5           HE1      PHE   5  -5.506   6.105  -2.140
   41    HZ   PHE   5           HZ       PHE   5  -3.400   6.215  -0.836
   42    H    VAL   6           H        VAL   6  -7.769  10.878  -4.128
   43    HA   VAL   6           HA       VAL   6  -6.500   8.757  -5.573
   44    HB   VAL   6           HB       VAL   6  -8.794  10.464  -6.581
   45   1HG1  VAL   6          3HG1      VAL   6  -7.548   8.798  -8.103
   46   2HG1  VAL   6          2HG1      VAL   6  -8.215   7.534  -7.070
   47   3HG1  VAL   6          1HG1      VAL   6  -9.295   8.597  -7.973
   48   1HG2  VAL   6          3HG2      VAL   6  -9.035   9.425  -4.211
   49   2HG2  VAL   6          2HG2      VAL   6 -10.292   9.058  -5.388
   50   3HG2  VAL   6          1HG2      VAL   6  -9.035   7.872  -5.043
   51    H    ASN   7           H        ASN   7  -6.691  12.241  -6.132
   52    HA   ASN   7           HA       ASN   7  -5.603  12.239  -8.796
   53   1HB   ASN   7          2HB       ASN   7  -5.685  14.268  -6.561
   54   2HB   ASN   7          1HB       ASN   7  -4.794  14.603  -8.045
   55   1HD2  ASN   7          2HD2      ASN   7  -8.407  15.732  -8.350
   56   2HD2  ASN   7          1HD2      ASN   7  -7.225  16.013  -7.164
   57    H    LYS   8           H        LYS   8  -4.205  12.240  -5.574
   58    HA   LYS   8           HA       LYS   8  -1.442  12.509  -6.341
   59   1HB   LYS   8          2HB       LYS   8  -2.211  12.950  -4.057
   60   2HB   LYS   8          1HB       LYS   8  -2.778  11.293  -3.899
   61   1HG   LYS   8          2HG       LYS   8  -0.098  11.014  -4.643
   62   2HG   LYS   8          1HG       LYS   8  -0.089  12.376  -3.524
   63   1HD   LYS   8          2HD       LYS   8   0.168  10.392  -2.186
   64   2HD   LYS   8          1HD       LYS   8  -1.491  10.947  -1.949
   65   1HE   LYS   8          2HE       LYS   8  -1.843   8.688  -2.376
   66   2HE   LYS   8          1HE       LYS   8  -1.990   9.361  -4.000
   67   1HZ   LYS   8          3HZ       LYS   8   0.577   8.370  -2.901
   68   2HZ   LYS   8          2HZ       LYS   8  -0.493   7.377  -3.770
   69   3HZ   LYS   8          1HZ       LYS   8   0.207   8.734  -4.515
   70    H    LEU   9           H        LEU   9  -3.706   9.838  -6.214
   71    HA   LEU   9           HA       LEU   9  -1.789   7.689  -6.262
   72   1HB   LEU   9          2HB       LEU   9  -4.160   7.405  -5.602
   73   2HB   LEU   9          1HB       LEU   9  -4.654   7.775  -7.253
   74    HG   LEU   9           HG       LEU   9  -3.146   5.827  -7.969
   75   1HD1  LEU   9          1HD1      LEU   9  -2.247   5.897  -5.423
   76   2HD1  LEU   9          3HD1      LEU   9  -3.523   4.694  -5.243
   77   3HD1  LEU   9          2HD1      LEU   9  -2.218   4.431  -6.400
   78   1HD2  LEU   9          1HD2      LEU   9  -5.652   5.445  -6.308
   79   2HD2  LEU   9          3HD2      LEU   9  -5.543   5.623  -8.059
   80   3HD2  LEU   9          2HD2      LEU   9  -4.936   4.160  -7.282
   81    H    TRP  10           H        TRP  10  -3.710   9.259  -8.842
   82    HA   TRP  10           HA       TRP  10  -2.198   7.809 -10.906
   83   1HB   TRP  10          2HB       TRP  10  -4.385   9.899 -11.139
   84   2HB   TRP  10          1HB       TRP  10  -3.713   8.971 -12.481
   85    HD1  TRP  10           HD1      TRP  10  -3.547   6.120 -11.250
   86    HE1  TRP  10           HE1      TRP  10  -5.685   4.809 -10.655
   87    HE3  TRP  10           HE3      TRP  10  -6.884   9.966 -10.870
   88    HZ2  TRP  10           HZ2      TRP  10  -8.433   5.307 -10.105
   89    HZ3  TRP  10           HZ3      TRP  10  -9.248   9.510 -10.304
   90    HH2  TRP  10           HH2      TRP  10 -10.033   7.195  -9.927
   91    H    SER  11           H        SER  11  -0.211   8.821 -10.082
   92    HA   SER  11           HA       SER  11   0.758  10.882 -11.807
   93   1HB   SER  11          2HB       SER  11   1.091  12.688 -10.189
   94   2HB   SER  11          1HB       SER  11  -0.628  12.307 -10.258
   95    HG   SER  11           HG       SER  11  -0.394  12.068  -8.177
   96    H    MET  12           H        MET  12   0.963   9.328  -8.657
   97    HA   MET  12           HA       MET  12   3.909   9.196  -8.730
   98   1HB   MET  12          2HB       MET  12   2.833   9.624  -6.577
   99   2HB   MET  12          1HB       MET  12   1.810   8.202  -6.765
  100   1HG   MET  12          2HG       MET  12   4.729   7.725  -6.963
  101   2HG   MET  12          1HG       MET  12   4.138   8.198  -5.371
  102   1HE   MET  12          3HE       MET  12   2.152   7.445  -4.406
  103   2HE   MET  12          2HE       MET  12   1.471   5.821  -4.452
  104   3HE   MET  12          1HE       MET  12   3.021   6.095  -3.664
  105    H    VAL  13           H        VAL  13   1.039   7.162  -9.125
  106    HA   VAL  13           HA       VAL  13   2.528   4.671  -9.384
  107    HB   VAL  13           HB       VAL  13  -0.292   5.302 -10.310
  108   1HG1  VAL  13          3HG1      VAL  13   1.277   2.773  -9.810
  109   2HG1  VAL  13          2HG1      VAL  13  -0.487   2.780  -9.756
  110   3HG1  VAL  13          1HG1      VAL  13   0.351   3.226 -11.242
  111   1HG2  VAL  13          2HG2      VAL  13   0.111   5.835  -7.894
  112   2HG2  VAL  13          1HG2      VAL  13  -1.021   4.503  -8.126
  113   3HG2  VAL  13          3HG2      VAL  13   0.645   4.171  -7.655
  114    H    ASN  14           H        ASN  14   0.734   6.718 -11.708
  115    HA   ASN  14           HA       ASN  14   2.092   5.369 -13.961
  116   1HB   ASN  14          2HB       ASN  14  -0.432   6.323 -13.719
  117   2HB   ASN  14          1HB       ASN  14   0.350   7.736 -14.429
  118   1HD2  ASN  14          2HD2      ASN  14   1.470   5.542 -17.279
  119   2HD2  ASN  14          1HD2      ASN  14   2.295   6.387 -16.059
  120    H    ASP  15           H        ASP  15   4.138   6.380 -12.813
  121    HA   ASP  15           HA       ASP  15   4.660   9.033 -14.095
  122   1HB   ASP  15          2HB       ASP  15   4.533   8.618 -11.389
  123   2HB   ASP  15          1HB       ASP  15   6.247   8.351 -11.690
  124    H    LYS  16           H        LYS  16   6.794   9.315 -14.934
  125    HA   LYS  16           HA       LYS  16   8.055   6.968 -15.988
  126   1HB   LYS  16          2HB       LYS  16   9.949   8.546 -16.543
  127   2HB   LYS  16          1HB       LYS  16   8.372   9.079 -17.123
  128   1HG   LYS  16          2HG       LYS  16   8.258  10.828 -15.627
  129   2HG   LYS  16          1HG       LYS  16   9.194   9.977 -14.399
  130   1HD   LYS  16          2HD       LYS  16  10.591  11.747 -15.232
  131   2HD   LYS  16          1HD       LYS  16  11.217  10.240 -15.899
  132   1HE   LYS  16          2HE       LYS  16  10.185  10.648 -18.026
  133   2HE   LYS  16          1HE       LYS  16   9.243  11.991 -17.381
  134   1HZ   LYS  16          3HZ       LYS  16  12.127  12.208 -17.077
  135   2HZ   LYS  16          2HZ       LYS  16  11.546  12.295 -18.671
  136   3HZ   LYS  16          1HZ       LYS  16  10.983  13.388 -17.500
  137    H    SER  17           H        SER  17   8.477   8.752 -13.007
  138    HA   SER  17           HA       SER  17  10.961   7.335 -12.317
  139   1HB   SER  17          2HB       SER  17  10.889   8.616 -10.266
  140   2HB   SER  17          1HB       SER  17  10.464   9.710 -11.579
  141    HG   SER  17           HG       SER  17   9.063   9.726  -9.663
  142    H    ASN  18           H        ASN  18  10.993   6.001 -10.281
  143    HA   ASN  18           HA       ASN  18  10.232   4.120  -9.108
  144   1HB   ASN  18          2HB       ASN  18   7.376   4.832  -9.070
  145   2HB   ASN  18          1HB       ASN  18   8.478   4.555  -7.730
  146   1HD2  ASN  18          2HD2      ASN  18   7.303   8.257  -8.320
  147   2HD2  ASN  18          1HD2      ASN  18   6.450   6.847  -8.725
  148    H    GLU  19           H        GLU  19   9.962   4.279 -12.165
  149    HA   GLU  19           HA       GLU  19   7.611   2.817 -12.924
  150   1HB   GLU  19          2HB       GLU  19   9.134   4.115 -14.473
  151   2HB   GLU  19          1HB       GLU  19  10.288   2.792 -14.335
  152   1HG   GLU  19          2HG       GLU  19   8.906   1.287 -15.461
  153   2HG   GLU  19          1HG       GLU  19   7.442   2.190 -15.072
  154    H    LYS  20           H        LYS  20  10.754   1.820 -11.713
  155    HA   LYS  20           HA       LYS  20  10.159  -1.021 -12.288
  156   1HB   LYS  20          2HB       LYS  20  12.428  -1.448 -11.425
  157   2HB   LYS  20          1HB       LYS  20  12.441  -0.212 -12.683
  158   1HG   LYS  20          2HG       LYS  20  12.075   1.292 -10.394
  159   2HG   LYS  20          1HG       LYS  20  13.143   0.010  -9.833
  160   1HD   LYS  20          2HD       LYS  20  13.810   1.245 -12.456
  161   2HD   LYS  20          1HD       LYS  20  14.077   2.238 -11.023
  162   1HE   LYS  20          2HE       LYS  20  16.021   1.135 -10.728
  163   2HE   LYS  20          1HE       LYS  20  15.077  -0.305 -10.346
  164   1HZ   LYS  20          2HZ       LYS  20  14.942  -0.608 -12.854
  165   2HZ   LYS  20          1HZ       LYS  20  16.214   0.515 -12.946
  166   3HZ   LYS  20          3HZ       LYS  20  16.431  -0.944 -12.108
  167    H    PHE  21           H        PHE  21   9.030   0.941  -9.973
  168    HA   PHE  21           HA       PHE  21   9.193  -1.198  -7.898
  169   1HB   PHE  21          2HB       PHE  21   9.187   1.801  -7.469
  170   2HB   PHE  21          1HB       PHE  21   9.098   0.596  -6.182
  171    HD1  PHE  21           HD1      PHE  21  10.950  -1.437  -6.726
  172    HD2  PHE  21           HD2      PHE  21  11.312   2.739  -7.673
  173    HE1  PHE  21           HE1      PHE  21  13.417  -1.660  -6.764
  174    HE2  PHE  21           HE2      PHE  21  13.782   2.514  -7.712
  175    HZ   PHE  21           HZ       PHE  21  14.835   0.314  -7.258
  176    H    ILE  22           H        ILE  22   7.112   0.568  -9.924
  177    HA   ILE  22           HA       ILE  22   4.775  -0.616  -8.724
  178    HB   ILE  22           HB       ILE  22   5.155   1.245  -7.116
  179   1HG1  ILE  22          2HG1      ILE  22   2.738   1.768  -8.866
  180   2HG1  ILE  22          1HG1      ILE  22   2.855   0.406  -7.751
  181   1HG2  ILE  22          2HG2      ILE  22   6.034   2.707  -9.200
  182   2HG2  ILE  22          1HG2      ILE  22   4.366   3.270  -9.155
  183   3HG2  ILE  22          3HG2      ILE  22   5.396   3.447  -7.733
  184   1HD1  ILE  22          2HD1      ILE  22   3.447   2.194  -5.966
  185   2HD1  ILE  22          1HD1      ILE  22   2.778   3.351  -7.117
  186   3HD1  ILE  22          3HD1      ILE  22   1.764   2.059  -6.473
  187    H    HIS  23           H        HIS  23   3.489  -1.024 -10.443
  188    HA   HIS  23           HA       HIS  23   3.082   1.040 -12.511
  189   1HB   HIS  23          2HB       HIS  23   3.598  -0.573 -14.350
  190   2HB   HIS  23          1HB       HIS  23   5.017  -0.145 -13.398
  191    HD1  HIS  23           HD1      HIS  23   5.774  -2.582 -14.499
  192    HD2  HIS  23           HD2      HIS  23   2.971  -2.672 -11.416
  193    HE1  HIS  23           HE1      HIS  23   5.789  -4.943 -13.586
  194    H    TRP  24           H        TRP  24   1.555  -0.124 -14.291
  195    HA   TRP  24           HA       TRP  24  -0.783  -1.022 -12.758
  196   1HB   TRP  24          2HB       TRP  24  -0.328  -0.464 -15.703
  197   2HB   TRP  24          1HB       TRP  24  -1.870  -1.005 -15.049
  198    HD1  TRP  24           HD1      TRP  24   0.098   1.388 -12.861
  199    HE1  TRP  24           HE1      TRP  24  -1.045   3.693 -12.879
  200    HE3  TRP  24           HE3      TRP  24  -3.298   0.658 -16.607
  201    HZ2  TRP  24           HZ2      TRP  24  -3.126   5.052 -14.293
  202    HZ3  TRP  24           HZ3      TRP  24  -4.846   2.476 -17.269
  203    HH2  TRP  24           HH2      TRP  24  -4.764   4.670 -16.118
  204    H    SER  25           H        SER  25  -1.940  -3.020 -13.305
  205    HA   SER  25           HA       SER  25  -0.128  -5.270 -13.599
  206   1HB   SER  25          2HB       SER  25  -3.109  -4.990 -13.268
  207   2HB   SER  25          1HB       SER  25  -2.387  -6.554 -13.636
  208    HG   SER  25           HG       SER  25  -2.336  -6.467 -11.470
  209    H    THR  26           H        THR  26  -3.179  -4.924 -15.419
  210    HA   THR  26           HA       THR  26  -1.775  -4.952 -17.995
  211    HB   THR  26           HB       THR  26  -3.476  -7.334 -17.200
  212    HG1  THR  26           HG1      THR  26  -0.681  -7.205 -17.630
  213   1HG2  THR  26          1HG2      THR  26  -2.795  -6.294 -19.726
  214   2HG2  THR  26          3HG2      THR  26  -1.714  -7.666 -19.474
  215   3HG2  THR  26          2HG2      THR  26  -3.460  -7.891 -19.379
  216    H    SER  27           H        SER  27  -4.957  -5.973 -16.697
  217    HA   SER  27           HA       SER  27  -6.411  -4.734 -18.863
  218   1HB   SER  27          2HB       SER  27  -7.615  -5.383 -16.182
  219   2HB   SER  27          1HB       SER  27  -8.356  -5.484 -17.777
  220    HG   SER  27           HG       SER  27  -6.690  -7.255 -16.449
  221    H    GLY  28           H        GLY  28  -4.961  -3.420 -16.051
  222   1HA   GLY  28          2HA       GLY  28  -4.865  -1.027 -15.701
  223   2HA   GLY  28          1HA       GLY  28  -6.424  -0.875 -16.514
  224    H    GLU  29           H        GLU  29  -6.260   0.402 -14.148
  225    HA   GLU  29           HA       GLU  29  -7.249   0.579 -12.029
  226   1HB   GLU  29          2HB       GLU  29  -8.894  -1.556 -13.374
  227   2HB   GLU  29          1HB       GLU  29  -9.205  -1.114 -11.696
  228   1HG   GLU  29          2HG       GLU  29 -10.621   0.357 -12.823
  229   2HG   GLU  29          1HG       GLU  29  -9.171   1.345 -12.639
  230    H    SER  30           H        SER  30  -4.963  -1.402 -12.552
  231    HA   SER  30           HA       SER  30  -5.222  -2.810  -9.945
  232   1HB   SER  30          2HB       SER  30  -4.739  -4.032 -12.632
  233   2HB   SER  30          1HB       SER  30  -3.848  -4.687 -11.260
  234    HG   SER  30           HG       SER  30  -5.981  -5.626 -11.704
  235    H    ILE  31           H        ILE  31  -3.213  -3.034  -8.856
  236    HA   ILE  31           HA       ILE  31  -0.885  -1.713 -10.197
  237    HB   ILE  31           HB       ILE  31  -1.681  -1.438  -7.283
  238   1HG1  ILE  31          2HG1      ILE  31  -1.789   0.624  -9.504
  239   2HG1  ILE  31          1HG1      ILE  31  -3.194  -0.271  -8.928
  240   1HG2  ILE  31          2HG2      ILE  31   0.509  -0.171  -8.956
  241   2HG2  ILE  31          1HG2      ILE  31   0.079   0.349  -7.326
  242   3HG2  ILE  31          3HG2      ILE  31   0.725  -1.270  -7.594
  243   1HD1  ILE  31          2HD1      ILE  31  -1.966   0.723  -6.600
  244   2HD1  ILE  31          1HD1      ILE  31  -1.905   2.051  -7.760
  245   3HD1  ILE  31          3HD1      ILE  31  -3.452   1.312  -7.347
  246    H    VAL  32           H        VAL  32   1.201  -2.448  -9.467
  247    HA   VAL  32           HA       VAL  32   1.185  -4.985  -7.894
  248    HB   VAL  32           HB       VAL  32   2.778  -4.539 -10.438
  249   1HG1  VAL  32          2HG1      VAL  32   2.521  -6.768  -8.433
  250   2HG1  VAL  32          1HG1      VAL  32   2.920  -7.137 -10.111
  251   3HG1  VAL  32          3HG1      VAL  32   3.980  -6.094  -9.161
  252   1HG2  VAL  32          2HG2      VAL  32   0.158  -5.934  -9.887
  253   2HG2  VAL  32          1HG2      VAL  32   0.548  -4.797 -11.178
  254   3HG2  VAL  32          3HG2      VAL  32   1.191  -6.438 -11.226
  255    H    VAL  33           H        VAL  33   3.349  -5.467  -6.972
  256    HA   VAL  33           HA       VAL  33   5.218  -3.154  -6.887
  257    HB   VAL  33           HB       VAL  33   4.163  -4.537  -4.402
  258   1HG1  VAL  33          1HG1      VAL  33   6.486  -3.678  -4.254
  259   2HG1  VAL  33          3HG1      VAL  33   5.918  -2.088  -4.761
  260   3HG1  VAL  33          2HG1      VAL  33   5.385  -2.764  -3.222
  261   1HG2  VAL  33          1HG2      VAL  33   3.562  -1.783  -5.532
  262   2HG2  VAL  33          3HG2      VAL  33   2.428  -3.131  -5.435
  263   3HG2  VAL  33          2HG2      VAL  33   3.028  -2.376  -3.958
  264    HA   PRO  34           HA       PRO  34   7.367  -7.159  -7.341
  265   1HB   PRO  34          2HB       PRO  34   9.584  -6.141  -8.596
  266   2HB   PRO  34          1HB       PRO  34   8.122  -6.657  -9.456
  267   1HG   PRO  34          2HG       PRO  34   9.097  -3.904  -8.898
  268   2HG   PRO  34          1HG       PRO  34   8.048  -4.482 -10.202
  269   1HD   PRO  34          2HD       PRO  34   7.207  -3.127  -7.866
  270   2HD   PRO  34          1HD       PRO  34   6.162  -3.968  -9.025
  271    H    ASN  35           H        ASN  35   8.336  -4.039  -6.075
  272    HA   ASN  35           HA       ASN  35   9.903  -5.397  -3.969
  273   1HB   ASN  35          2HB       ASN  35  11.021  -3.424  -5.954
  274   2HB   ASN  35          1HB       ASN  35  11.699  -3.539  -4.329
  275   1HD2  ASN  35          2HD2      ASN  35  12.872  -6.209  -7.031
  276   2HD2  ASN  35          1HD2      ASN  35  12.157  -4.715  -7.401
  277    H    ARG  36           H        ARG  36   8.255  -4.681  -2.528
  278    HA   ARG  36           HA       ARG  36   7.469  -1.874  -2.415
  279   1HB   ARG  36          2HB       ARG  36   6.073  -3.908  -1.676
  280   2HB   ARG  36          1HB       ARG  36   7.066  -3.908  -0.217
  281   1HG   ARG  36          2HG       ARG  36   6.359  -1.682   0.360
  282   2HG   ARG  36          1HG       ARG  36   5.571  -1.465  -1.203
  283   1HD   ARG  36          2HD       ARG  36   4.065  -3.411  -0.604
  284   2HD   ARG  36          1HD       ARG  36   4.746  -3.347   1.021
  285    HE   ARG  36           HE       ARG  36   3.785  -0.747   0.223
  286   1HH1  ARG  36          2HH1      ARG  36   3.400  -2.085   2.915
  287   2HH1  ARG  36          1HH1      ARG  36   1.686  -2.334   2.935
  288   1HH2  ARG  36          1HH2      ARG  36   1.309  -1.843  -0.477
  289   2HH2  ARG  36          2HH2      ARG  36   0.502  -2.196   1.014
  290    H    GLU  37           H        GLU  37   9.898  -3.887  -0.885
  291    HA   GLU  37           HA       GLU  37  10.494  -2.246   1.370
  292   1HB   GLU  37          2HB       GLU  37  11.360  -4.586   0.932
  293   2HB   GLU  37          1HB       GLU  37  12.490  -3.877  -0.221
  294   1HG   GLU  37          2HG       GLU  37  13.756  -3.936   1.752
  295   2HG   GLU  37          1HG       GLU  37  13.124  -2.290   1.756
  296    H    ARG  38           H        ARG  38  11.790  -2.201  -1.955
  297    HA   ARG  38           HA       ARG  38  13.481   0.123  -1.361
  298   1HB   ARG  38          2HB       ARG  38  13.291  -1.859  -3.445
  299   2HB   ARG  38          1HB       ARG  38  13.234  -0.257  -4.177
  300   1HG   ARG  38          2HG       ARG  38  15.250  -0.577  -2.030
  301   2HG   ARG  38          1HG       ARG  38  15.548  -1.530  -3.483
  302   1HD   ARG  38          2HD       ARG  38  15.071   0.658  -4.778
  303   2HD   ARG  38          1HD       ARG  38  15.292   1.463  -3.225
  304    HE   ARG  38           HE       ARG  38  17.411  -0.191  -4.539
  305   1HH1  ARG  38          2HH1      ARG  38  18.987  -0.011  -2.575
  306   2HH1  ARG  38          1HH1      ARG  38  19.395   1.633  -2.212
  307   1HH2  ARG  38          1HH2      ARG  38  16.777   2.970  -4.050
  308   2HH2  ARG  38          2HH2      ARG  38  18.146   3.320  -3.047
  309    H    PHE  39           H        PHE  39  10.309  -0.496  -2.720
  310    HA   PHE  39           HA       PHE  39   9.862   1.945  -4.103
  311   1HB   PHE  39          2HB       PHE  39   8.252   0.186  -4.348
  312   2HB   PHE  39          1HB       PHE  39   8.009   0.065  -2.610
  313    HD1  PHE  39           HD1      PHE  39   7.430   2.239  -5.580
  314    HD2  PHE  39           HD2      PHE  39   6.433   1.447  -1.480
  315    HE1  PHE  39           HE1      PHE  39   5.552   3.851  -5.727
  316    HE2  PHE  39           HE2      PHE  39   4.555   3.059  -1.623
  317    HZ   PHE  39           HZ       PHE  39   4.115   4.263  -3.747
  318    H    VAL  40           H        VAL  40   8.660   1.175  -0.824
  319    HA   VAL  40           HA       VAL  40   7.960   3.766  -0.024
  320    HB   VAL  40           HB       VAL  40   9.191   1.642   1.759
  321   1HG1  VAL  40          1HG1      VAL  40   8.741   4.045   2.608
  322   2HG1  VAL  40          3HG1      VAL  40   7.034   3.629   2.460
  323   3HG1  VAL  40          2HG1      VAL  40   8.076   2.708   3.546
  324   1HG2  VAL  40          1HG2      VAL  40   6.417   1.961   0.603
  325   2HG2  VAL  40          3HG2      VAL  40   7.442   0.527   0.608
  326   3HG2  VAL  40          2HG2      VAL  40   6.692   1.078   2.104
  327    H    GLN  41           H        GLN  41  11.120   2.180   0.190
  328    HA   GLN  41           HA       GLN  41  12.567   3.990   1.728
  329   1HB   GLN  41          2HB       GLN  41  13.298   2.237  -0.588
  330   2HB   GLN  41          1HB       GLN  41  14.503   3.349   0.060
  331   1HG   GLN  41          2HG       GLN  41  13.129   1.958   2.216
  332   2HG   GLN  41          1HG       GLN  41  13.824   0.808   1.076
  333   1HE2  GLN  41          2HE2      GLN  41  17.039   1.267   2.406
  334   2HE2  GLN  41          1HE2      GLN  41  15.917   0.238   1.656
  335    H    GLU  42           H        GLU  42  12.431   4.170  -1.875
  336    HA   GLU  42           HA       GLU  42  13.043   7.086  -1.571
  337   1HB   GLU  42          2HB       GLU  42  13.716   5.275  -3.907
  338   2HB   GLU  42          1HB       GLU  42  14.192   6.965  -3.719
  339   1HG   GLU  42          2HG       GLU  42  15.169   6.048  -1.411
  340   2HG   GLU  42          1HG       GLU  42  15.226   4.537  -2.319
  341    H    VAL  43           H        VAL  43  10.323   6.138  -1.546
  342    HA   VAL  43           HA       VAL  43   9.352   7.641  -3.892
  343    HB   VAL  43           HB       VAL  43   8.236   4.877  -3.366
  344   1HG1  VAL  43          3HG1      VAL  43   6.736   6.556  -4.415
  345   2HG1  VAL  43          2HG1      VAL  43   7.940   6.815  -5.679
  346   3HG1  VAL  43          1HG1      VAL  43   7.142   5.249  -5.529
  347   1HG2  VAL  43          3HG2      VAL  43  10.235   5.810  -5.456
  348   2HG2  VAL  43          2HG2      VAL  43  10.535   4.634  -4.176
  349   3HG2  VAL  43          1HG2      VAL  43   9.415   4.248  -5.483
  350    H    LEU  44           H        LEU  44   8.520   5.936  -0.863
  351    HA   LEU  44           HA       LEU  44   5.872   7.052  -0.676
  352   1HB   LEU  44          2HB       LEU  44   6.591   5.057   0.596
  353   2HB   LEU  44          1HB       LEU  44   7.682   6.054   1.548
  354    HG   LEU  44           HG       LEU  44   5.603   7.456   2.141
  355   1HD1  LEU  44          3HD1      LEU  44   4.441   5.203   0.592
  356   2HD1  LEU  44          2HD1      LEU  44   3.600   5.626   2.083
  357   3HD1  LEU  44          1HD1      LEU  44   3.831   6.840   0.825
  358   1HD2  LEU  44          1HD2      LEU  44   6.832   5.362   3.388
  359   2HD2  LEU  44          3HD2      LEU  44   5.503   6.276   4.096
  360   3HD2  LEU  44          2HD2      LEU  44   5.182   4.748   3.277
  361    HA   PRO  45           HA       PRO  45   7.750  10.343   2.182
  362   1HB   PRO  45          2HB       PRO  45  10.437  10.851   2.071
  363   2HB   PRO  45          1HB       PRO  45   9.699   9.753   3.250
  364   1HG   PRO  45          2HG       PRO  45  11.287   9.103   0.818
  365   2HG   PRO  45          1HG       PRO  45  11.091   8.175   2.314
  366   1HD   PRO  45          2HD       PRO  45   9.778   7.663  -0.126
  367   2HD   PRO  45          1HD       PRO  45   9.350   6.988   1.454
  368    H    LYS  46           H        LYS  46   8.917   9.749  -1.044
  369    HA   LYS  46           HA       LYS  46   9.721  12.408  -1.733
  370   1HB   LYS  46          2HB       LYS  46   9.594   9.922  -3.024
  371   2HB   LYS  46          1HB       LYS  46   8.526  10.963  -3.965
  372   1HG   LYS  46          2HG       LYS  46  10.791  11.150  -4.844
  373   2HG   LYS  46          1HG       LYS  46  10.353  12.669  -4.065
  374   1HD   LYS  46          2HD       LYS  46  11.435  11.274  -1.963
  375   2HD   LYS  46          1HD       LYS  46  12.413  10.693  -3.309
  376   1HE   LYS  46          2HE       LYS  46  11.909  13.625  -3.196
  377   2HE   LYS  46          1HE       LYS  46  12.994  12.960  -1.976
  378   1HZ   LYS  46          1HZ       LYS  46  13.262  12.486  -4.894
  379   2HZ   LYS  46          3HZ       LYS  46  14.135  13.656  -4.031
  380   3HZ   LYS  46          2HZ       LYS  46  14.351  12.007  -3.681
  381    H    TYR  47           H        TYR  47   6.588  11.118  -1.114
  382    HA   TYR  47           HA       TYR  47   5.375  13.506  -2.446
  383   1HB   TYR  47          2HB       TYR  47   4.265  10.716  -2.068
  384   2HB   TYR  47          1HB       TYR  47   3.279  12.090  -2.570
  385    HD1  TYR  47           HD2      TYR  47   6.135   9.914  -3.510
  386    HD2  TYR  47           HD1      TYR  47   3.451  13.023  -4.782
  387    HE1  TYR  47           HE2      TYR  47   6.907   9.628  -5.850
  388    HE2  TYR  47           HE1      TYR  47   4.225  12.734  -7.120
  389    HH   TYR  47           HH       TYR  47   5.941  10.081  -8.174
  390    H    PHE  48           H        PHE  48   4.982  11.219   0.276
  391    HA   PHE  48           HA       PHE  48   3.261  13.173   1.677
  392   1HB   PHE  48          2HB       PHE  48   4.171  10.363   2.346
  393   2HB   PHE  48          1HB       PHE  48   3.203  11.348   3.443
  394    HD1  PHE  48           HD1      PHE  48   1.195  12.643   2.022
  395    HD2  PHE  48           HD2      PHE  48   2.935   8.815   1.136
  396    HE1  PHE  48           HE1      PHE  48  -0.860  11.992   0.791
  397    HE2  PHE  48           HE2      PHE  48   0.881   8.167  -0.094
  398    HZ   PHE  48           HZ       PHE  48  -1.014   9.755  -0.265
  399    H    LYS  49           H        LYS  49   3.861  13.161   4.223
  400    HA   LYS  49           HA       LYS  49   6.714  14.041   4.363
  401   1HB   LYS  49          2HB       LYS  49   4.188  15.106   5.483
  402   2HB   LYS  49          1HB       LYS  49   5.550  15.091   6.601
  403   1HG   LYS  49          2HG       LYS  49   6.690  16.034   4.250
  404   2HG   LYS  49          1HG       LYS  49   5.093  16.781   4.245
  405   1HD   LYS  49          2HD       LYS  49   6.526  16.821   6.843
  406   2HD   LYS  49          1HD       LYS  49   7.219  17.825   5.570
  407   1HE   LYS  49          2HE       LYS  49   5.187  19.054   5.299
  408   2HE   LYS  49          1HE       LYS  49   4.278  17.894   6.269
  409   1HZ   LYS  49          3HZ       LYS  49   6.496  19.584   7.287
  410   2HZ   LYS  49          2HZ       LYS  49   4.843  19.920   7.500
  411   3HZ   LYS  49          1HZ       LYS  49   5.529  18.535   8.203
  412    H    HIS  50           H        HIS  50   4.145  12.407   6.238
  413    HA   HIS  50           HA       HIS  50   6.230  10.667   7.425
  414   1HB   HIS  50          2HB       HIS  50   4.345  12.440   8.985
  415   2HB   HIS  50          1HB       HIS  50   5.096  11.011   9.698
  416    HD1  HIS  50           HD1      HIS  50   7.719  11.017   9.909
  417    HD2  HIS  50           HD2      HIS  50   6.092  14.630   8.612
  418    HE1  HIS  50           HE1      HIS  50   9.562  12.744  10.106
  419    H    SER  51           H        SER  51   3.808  10.469   5.540
  420    HA   SER  51           HA       SER  51   1.944   8.752   7.031
  421   1HB   SER  51          2HB       SER  51   1.691  10.302   4.775
  422   2HB   SER  51          1HB       SER  51   1.850   8.692   4.079
  423    HG   SER  51           HG       SER  51  -0.288   9.744   5.122
  424    H    ASN  52           H        ASN  52   2.997   6.886   7.673
  425    HA   ASN  52           HA       ASN  52   4.980   5.505   6.142
  426   1HB   ASN  52          2HB       ASN  52   3.235   4.758   8.473
  427   2HB   ASN  52          1HB       ASN  52   4.246   3.540   7.694
  428   1HD2  ASN  52          2HD2      ASN  52   6.048   5.674  10.420
  429   2HD2  ASN  52          1HD2      ASN  52   4.427   5.175  10.407
  430    H    PHE  53           H        PHE  53   4.691   3.187   5.414
  431    HA   PHE  53           HA       PHE  53   2.878   2.995   3.256
  432   1HB   PHE  53          2HB       PHE  53   3.385   0.502   3.386
  433   2HB   PHE  53          1HB       PHE  53   4.791   1.555   3.254
  434    HD1  PHE  53           HD2      PHE  53   2.671  -0.283   5.724
  435    HD2  PHE  53           HD1      PHE  53   6.485   1.520   4.910
  436    HE1  PHE  53           HE2      PHE  53   3.570  -1.236   7.829
  437    HE2  PHE  53           HE1      PHE  53   7.384   0.564   7.015
  438    HZ   PHE  53           HZ       PHE  53   5.927  -0.813   8.474
  439    H    ALA  54           H        ALA  54   2.477   2.147   6.631
  440    HA   ALA  54           HA       ALA  54   0.175   0.473   6.407
  441   1HB   ALA  54          2HB       ALA  54   1.717   1.322   8.484
  442   2HB   ALA  54          1HB       ALA  54   0.284   2.320   8.727
  443   3HB   ALA  54          3HB       ALA  54   0.139   0.562   8.694
  444    H    SER  55           H        SER  55   0.485   4.002   6.775
  445    HA   SER  55           HA       SER  55  -2.330   4.552   6.832
  446   1HB   SER  55          2HB       SER  55  -0.683   6.219   7.553
  447   2HB   SER  55          1HB       SER  55  -0.006   6.282   5.928
  448    HG   SER  55           HG       SER  55  -2.032   7.662   6.911
  449    H    PHE  56           H        PHE  56   0.010   4.146   4.221
  450    HA   PHE  56           HA       PHE  56  -1.592   5.132   2.073
  451   1HB   PHE  56          2HB       PHE  56   0.851   4.563   1.926
  452   2HB   PHE  56          1HB       PHE  56   0.411   2.857   1.961
  453    HD1  PHE  56           HD2      PHE  56  -1.157   5.790   0.239
  454    HD2  PHE  56           HD1      PHE  56   0.755   1.971  -0.180
  455    HE1  PHE  56           HE2      PHE  56  -1.570   5.857  -2.207
  456    HE2  PHE  56           HE1      PHE  56   0.342   2.032  -2.626
  457    HZ   PHE  56           HZ       PHE  56  -0.820   3.975  -3.640
  458    H    VAL  57           H        VAL  57  -1.301   1.869   3.448
  459    HA   VAL  57           HA       VAL  57  -3.073   0.567   1.627
  460    HB   VAL  57           HB       VAL  57  -2.536  -0.137   4.530
  461   1HG1  VAL  57          2HG1      VAL  57  -3.699  -1.619   2.172
  462   2HG1  VAL  57          1HG1      VAL  57  -2.924  -2.489   3.496
  463   3HG1  VAL  57          3HG1      VAL  57  -4.337  -1.482   3.810
  464   1HG2  VAL  57          3HG2      VAL  57  -0.608   0.155   2.659
  465   2HG2  VAL  57          2HG2      VAL  57  -0.545  -1.098   3.897
  466   3HG2  VAL  57          1HG2      VAL  57  -1.127  -1.486   2.278
  467    H    ARG  58           H        ARG  58  -3.667   2.261   4.702
  468    HA   ARG  58           HA       ARG  58  -6.419   1.525   4.970
  469   1HB   ARG  58          2HB       ARG  58  -4.732   3.780   6.006
  470   2HB   ARG  58          1HB       ARG  58  -6.483   3.845   6.218
  471   1HG   ARG  58          2HG       ARG  58  -4.957   1.356   6.950
  472   2HG   ARG  58          1HG       ARG  58  -5.046   2.710   8.076
  473   1HD   ARG  58          2HD       ARG  58  -7.537   2.647   7.896
  474   2HD   ARG  58          1HD       ARG  58  -7.397   1.217   6.873
  475    HE   ARG  58           HE       ARG  58  -6.380   1.252   9.688
  476   1HH1  ARG  58          1HH2      ARG  58  -6.237  -0.932   7.365
  477   2HH1  ARG  58          2HH2      ARG  58  -7.349  -2.084   8.027
  478   1HH2  ARG  58          2HH1      ARG  58  -8.600   0.101  10.413
  479   2HH2  ARG  58          1HH1      ARG  58  -8.689  -1.499   9.754
  480    H    GLN  59           H        GLN  59  -4.857   4.201   3.233
  481    HA   GLN  59           HA       GLN  59  -7.248   5.603   2.522
  482   1HB   GLN  59          2HB       GLN  59  -4.551   5.428   1.147
  483   2HB   GLN  59          1HB       GLN  59  -5.837   6.518   0.640
  484   1HG   GLN  59          2HG       GLN  59  -4.586   6.487   3.400
  485   2HG   GLN  59          1HG       GLN  59  -4.201   7.645   2.126
  486   1HE2  GLN  59          2HE2      GLN  59  -7.469   8.251   4.401
  487   2HE2  GLN  59          1HE2      GLN  59  -6.339   7.032   4.742
  488    H    LEU  60           H        LEU  60  -5.369   3.139   0.750
  489    HA   LEU  60           HA       LEU  60  -7.013   3.047  -1.569
  490   1HB   LEU  60          2HB       LEU  60  -5.251   0.964  -0.268
  491   2HB   LEU  60          1HB       LEU  60  -6.033   0.714  -1.821
  492    HG   LEU  60           HG       LEU  60  -4.350   3.159  -1.307
  493   1HD1  LEU  60          3HD1      LEU  60  -3.242   0.747  -0.967
  494   2HD1  LEU  60          2HD1      LEU  60  -3.198   0.803  -2.729
  495   3HD1  LEU  60          1HD1      LEU  60  -2.385   2.052  -1.787
  496   1HD2  LEU  60          2HD2      LEU  60  -5.120   1.607  -3.800
  497   2HD2  LEU  60          1HD2      LEU  60  -5.821   3.142  -3.286
  498   3HD2  LEU  60          3HD2      LEU  60  -4.127   3.065  -3.775
  499    H    ASN  61           H        ASN  61  -7.353   1.478   1.571
  500    HA   ASN  61           HA       ASN  61  -9.503  -0.284   0.654
  501   1HB   ASN  61          2HB       ASN  61  -7.810  -0.581   2.662
  502   2HB   ASN  61          1HB       ASN  61  -9.043   0.315   3.553
  503   1HD2  ASN  61          2HD2      ASN  61  -9.842  -3.495   2.279
  504   2HD2  ASN  61          1HD2      ASN  61  -8.471  -2.677   1.700
  505    H    MET  62           H        MET  62  -9.304   2.963   1.883
  506    HA   MET  62           HA       MET  62 -12.090   3.031   2.803
  507   1HB   MET  62          2HB       MET  62  -9.788   4.912   2.735
  508   2HB   MET  62          1HB       MET  62 -11.392   5.642   2.657
  509   1HG   MET  62          2HG       MET  62 -11.877   3.933   4.641
  510   2HG   MET  62          1HG       MET  62 -10.133   4.065   4.861
  511   1HE   MET  62          2HE       MET  62 -13.065   5.917   3.748
  512   2HE   MET  62          1HE       MET  62 -13.627   6.307   5.372
  513   3HE   MET  62          3HE       MET  62 -12.929   7.568   4.347
  514    H    TYR  63           H        TYR  63 -10.319   3.771  -0.132
  515    HA   TYR  63           HA       TYR  63 -12.617   5.219  -1.287
  516   1HB   TYR  63          2HB       TYR  63  -9.843   4.557  -2.283
  517   2HB   TYR  63          1HB       TYR  63 -11.068   5.272  -3.334
  518    HD1  TYR  63           HD2      TYR  63 -12.385   7.322  -2.216
  519    HD2  TYR  63           HD1      TYR  63  -8.439   6.022  -1.118
  520    HE1  TYR  63           HE2      TYR  63 -11.918   9.557  -1.250
  521    HE2  TYR  63           HE1      TYR  63  -7.974   8.258  -0.149
  522    HH   TYR  63           HH       TYR  63  -8.728  10.493  -0.218
  523    H    GLY  64           H        GLY  64 -10.907   2.123  -1.780
  524   1HA   GLY  64          2HA       GLY  64 -13.020   0.493  -2.357
  525   2HA   GLY  64          1HA       GLY  64 -12.784   1.326  -3.893
  526    H    TRP  65           H        TRP  65  -9.818   1.501  -3.376
  527    HA   TRP  65           HA       TRP  65  -8.995  -0.826  -4.786
  528   1HB   TRP  65          2HB       TRP  65  -7.470   1.134  -3.058
  529   2HB   TRP  65          1HB       TRP  65  -6.672  -0.187  -3.911
  530    HD1  TRP  65           HD1      TRP  65  -8.364   3.154  -4.457
  531    HE1  TRP  65           HE1      TRP  65  -8.035   3.883  -6.908
  532    HE3  TRP  65           HE3      TRP  65  -6.363  -1.129  -6.393
  533    HZ2  TRP  65           HZ2      TRP  65  -7.055   2.795  -9.364
  534    HZ3  TRP  65           HZ3      TRP  65  -5.743  -1.256  -8.789
  535    HH2  TRP  65           HH2      TRP  65  -6.084   0.700 -10.275
  536    H    HIS  66           H        HIS  66  -8.772  -2.896  -4.086
  537    HA   HIS  66           HA       HIS  66  -8.924  -3.444  -1.182
  538   1HB   HIS  66          2HB       HIS  66  -9.107  -5.185  -3.649
  539   2HB   HIS  66          1HB       HIS  66  -9.051  -5.857  -2.020
  540    HD1  HIS  66           HD1      HIS  66 -11.058  -5.239  -0.409
  541    HD2  HIS  66           HD2      HIS  66 -11.576  -4.043  -4.369
  542    HE1  HIS  66           HE1      HIS  66 -13.511  -4.660  -0.667
  543    H    LYS  67           H        LYS  67  -7.508  -5.642  -0.742
  544    HA   LYS  67           HA       LYS  67  -4.700  -4.821  -1.337
  545   1HB   LYS  67          2HB       LYS  67  -5.952  -5.437   1.073
  546   2HB   LYS  67          1HB       LYS  67  -5.079  -6.919   0.686
  547   1HG   LYS  67          2HG       LYS  67  -3.006  -5.584   0.358
  548   2HG   LYS  67          1HG       LYS  67  -3.892  -4.129   0.816
  549   1HD   LYS  67          2HD       LYS  67  -3.352  -4.584   2.959
  550   2HD   LYS  67          1HD       LYS  67  -4.457  -5.952   2.871
  551   1HE   LYS  67          2HE       LYS  67  -1.866  -6.558   1.655
  552   2HE   LYS  67          1HE       LYS  67  -1.715  -6.088   3.346
  553   1HZ   LYS  67          2HZ       LYS  67  -3.727  -7.695   3.623
  554   2HZ   LYS  67          1HZ       LYS  67  -3.148  -8.363   2.172
  555   3HZ   LYS  67          3HZ       LYS  67  -2.145  -8.309   3.538
  556    H    VAL  68           H        VAL  68  -6.856  -7.640  -1.195
  557    HA   VAL  68           HA       VAL  68  -5.484  -8.896  -3.447
  558    HB   VAL  68           HB       VAL  68  -5.120 -11.054  -2.063
  559   1HG1  VAL  68          2HG1      VAL  68  -3.386  -9.309  -2.947
  560   2HG1  VAL  68          1HG1      VAL  68  -3.242  -8.855  -1.248
  561   3HG1  VAL  68          3HG1      VAL  68  -2.872 -10.503  -1.754
  562   1HG2  VAL  68          2HG2      VAL  68  -6.349  -9.981  -0.050
  563   2HG2  VAL  68          1HG2      VAL  68  -4.865 -10.873   0.284
  564   3HG2  VAL  68          3HG2      VAL  68  -4.841  -9.111   0.233
  565    H    GLN  69           H        GLN  69  -6.506 -11.328  -3.549
  566    HA   GLN  69           HA       GLN  69  -9.354 -10.925  -3.820
  567   1HB   GLN  69          2HB       GLN  69  -7.760 -13.509  -3.846
  568   2HB   GLN  69          1HB       GLN  69  -9.416 -13.313  -4.424
  569   1HG   GLN  69          2HG       GLN  69  -8.367 -11.411  -5.908
  570   2HG   GLN  69          1HG       GLN  69  -6.861 -12.283  -5.618
  571   1HE2  GLN  69          2HE2      GLN  69  -7.627 -14.715  -8.032
  572   2HE2  GLN  69          1HE2      GLN  69  -6.446 -13.885  -7.140
  573    H    ASP  70           H        ASP  70  -7.336 -12.753  -1.523
  574    HA   ASP  70           HA       ASP  70  -7.804 -13.541   0.634
  575   1HB   ASP  70          2HB       ASP  70  -8.654 -11.044   0.702
  576   2HB   ASP  70          1HB       ASP  70 -10.246 -11.800   0.745
  577    H    VAL  71           H        VAL  71  -8.408 -15.625  -0.260
  578    HA   VAL  71           HA       VAL  71 -11.239 -16.256   0.265
  579    HB   VAL  71           HB       VAL  71 -11.354 -17.594  -1.900
  580   1HG1  VAL  71          2HG1      VAL  71 -12.505 -15.409  -1.461
  581   2HG1  VAL  71          1HG1      VAL  71 -11.130 -14.585  -2.192
  582   3HG1  VAL  71          3HG1      VAL  71 -12.123 -15.674  -3.161
  583   1HG2  VAL  71          3HG2      VAL  71  -8.708 -16.319  -2.198
  584   2HG2  VAL  71          2HG2      VAL  71  -9.380 -17.722  -3.023
  585   3HG2  VAL  71          1HG2      VAL  71  -9.761 -16.100  -3.594
  586    H    LYS  72           H        LYS  72  -8.067 -17.557  -0.772
  587    HA   LYS  72           HA       LYS  72  -8.397 -19.683   1.263
  588   1HB   LYS  72          2HB       LYS  72  -9.170 -20.334  -1.203
  589   2HB   LYS  72          1HB       LYS  72  -7.438 -20.584  -1.416
  590   1HG   LYS  72          2HG       LYS  72  -8.462 -21.711   1.099
  591   2HG   LYS  72          1HG       LYS  72  -9.198 -22.429  -0.332
  592   1HD   LYS  72          2HD       LYS  72  -6.665 -22.456  -1.173
  593   2HD   LYS  72          1HD       LYS  72  -6.349 -22.483   0.563
  594   1HE   LYS  72          2HE       LYS  72  -8.315 -24.348   0.417
  595   2HE   LYS  72          1HE       LYS  72  -7.571 -24.559  -1.169
  596   1HZ   LYS  72          2HZ       LYS  72  -5.385 -24.519   0.171
  597   2HZ   LYS  72          1HZ       LYS  72  -6.375 -24.900   1.499
  598   3HZ   LYS  72          3HZ       LYS  72  -6.319 -25.939   0.159
  599    H    SER  73           H        SER  73  -6.523 -17.272   0.415
  600    HA   SER  73           HA       SER  73  -3.946 -18.718   0.315
  601   1HB   SER  73          2HB       SER  73  -4.193 -16.793  -1.171
  602   2HB   SER  73          1HB       SER  73  -4.607 -15.756   0.191
  603    HG   SER  73           HG       SER  73  -2.231 -16.220  -0.752
  604    H    GLY  74           H        GLY  74  -3.824 -15.715   2.074
  605   1HA   GLY  74          2HA       GLY  74  -3.216 -15.289   4.290
  606   2HA   GLY  74          1HA       GLY  74  -4.462 -16.466   4.693
  607    H    SER  75           H        SER  75  -1.142 -16.559   3.314
  608    HA   SER  75           HA       SER  75  -0.320 -18.379   5.484
  609   1HB   SER  75          2HB       SER  75   0.369 -20.178   4.020
  610   2HB   SER  75          1HB       SER  75  -1.328 -19.836   3.692
  611    HG   SER  75           HG       SER  75   0.812 -19.673   2.056
  612    H    MET  76           H        MET  76   0.921 -16.298   5.755
  613    HA   MET  76           HA       MET  76   3.369 -16.325   4.033
  614   1HB   MET  76          2HB       MET  76   3.547 -13.871   4.538
  615   2HB   MET  76          1HB       MET  76   2.127 -14.286   3.578
  616   1HG   MET  76          2HG       MET  76   0.708 -14.218   5.553
  617   2HG   MET  76          1HG       MET  76   2.111 -13.970   6.594
  618   1HE   MET  76          2HE       MET  76  -0.162 -12.268   6.994
  619   2HE   MET  76          1HE       MET  76  -0.296 -10.718   6.167
  620   3HE   MET  76          3HE       MET  76  -0.818 -12.204   5.362
  621    H    LEU  77           H        LEU  77   3.128 -17.923   6.303
  622    HA   LEU  77           HA       LEU  77   4.327 -16.543   8.598
  623   1HB   LEU  77          2HB       LEU  77   3.983 -19.521   8.144
  624   2HB   LEU  77          1HB       LEU  77   4.252 -18.708   9.684
  625    HG   LEU  77           HG       LEU  77   2.005 -17.415   8.618
  626   1HD1  LEU  77          2HD1      LEU  77   1.968 -19.383   6.976
  627   2HD1  LEU  77          1HD1      LEU  77   1.585 -20.399   8.364
  628   3HD1  LEU  77          3HD1      LEU  77   0.486 -19.105   7.890
  629   1HD2  LEU  77          2HD2      LEU  77   2.509 -18.139  10.993
  630   2HD2  LEU  77          1HD2      LEU  77   0.845 -18.417  10.482
  631   3HD2  LEU  77          3HD2      LEU  77   1.985 -19.761  10.539
  632    H    SER  78           H        SER  78   6.371 -15.812   7.964
  633    HA   SER  78           HA       SER  78   8.660 -15.950   7.480
  634   1HB   SER  78          2HB       SER  78   8.011 -18.626   8.656
  635   2HB   SER  78          1HB       SER  78   9.587 -18.403   7.903
  636    HG   SER  78           HG       SER  78   9.631 -17.843  10.110
  637    H    ASN  79           H        ASN  79   8.082 -15.602   5.190
  638    HA   ASN  79           HA       ASN  79   8.975 -17.888   3.535
  639   1HB   ASN  79          2HB       ASN  79   6.231 -17.063   3.722
  640   2HB   ASN  79          1HB       ASN  79   6.821 -16.644   2.115
  641   1HD2  ASN  79          2HD2      ASN  79   7.817 -20.224   1.615
  642   2HD2  ASN  79          1HD2      ASN  79   8.663 -18.754   1.669
  643    H    ASN  80           H        ASN  80   9.958 -17.210   1.578
  644    HA   ASN  80           HA       ASN  80  10.910 -14.439   1.598
  645   1HB   ASN  80          2HB       ASN  80  11.423 -16.709  -0.351
  646   2HB   ASN  80          1HB       ASN  80  12.273 -15.164  -0.345
  647   1HD2  ASN  80          2HD2      ASN  80  14.202 -17.724   1.673
  648   2HD2  ASN  80          1HD2      ASN  80  13.584 -17.736   0.092
  649    H    ASP  81           H        ASP  81   9.615 -12.874   0.759
  650    HA   ASP  81           HA       ASP  81   8.871 -12.740  -1.947
  651   1HB   ASP  81          2HB       ASP  81   6.310 -12.986  -1.625
  652   2HB   ASP  81          1HB       ASP  81   7.266 -14.456  -1.779
  653    H    SER  82           H        SER  82   9.425 -10.577  -1.746
  654    HA   SER  82           HA       SER  82   7.849  -8.916   0.172
  655   1HB   SER  82          2HB       SER  82  10.450  -8.847   0.022
  656   2HB   SER  82          1HB       SER  82  10.184  -7.924  -1.455
  657    HG   SER  82           HG       SER  82   9.332  -7.328   1.183
  658    H    ARG  83           H        ARG  83   6.478  -9.859  -2.071
  659    HA   ARG  83           HA       ARG  83   6.292  -7.419  -3.794
  660   1HB   ARG  83          2HB       ARG  83   5.273  -8.953  -5.497
  661   2HB   ARG  83          1HB       ARG  83   6.946  -9.355  -5.108
  662   1HG   ARG  83          2HG       ARG  83   6.239 -11.139  -3.627
  663   2HG   ARG  83          1HG       ARG  83   4.547 -10.674  -3.807
  664   1HD   ARG  83          2HD       ARG  83   4.343 -11.761  -5.786
  665   2HD   ARG  83          1HD       ARG  83   5.897 -11.168  -6.373
  666    HE   ARG  83           HE       ARG  83   6.398 -13.127  -4.368
  667   1HH1  ARG  83          2HH1      ARG  83   4.046 -13.758  -6.530
  668   2HH1  ARG  83          1HH1      ARG  83   4.910 -14.928  -7.470
  669   1HH2  ARG  83          1HH2      ARG  83   7.977 -14.232  -6.011
  670   2HH2  ARG  83          2HH2      ARG  83   7.133 -15.196  -7.177
  671    H    TRP  84           H        TRP  84   4.281  -6.490  -4.061
  672    HA   TRP  84           HA       TRP  84   2.029  -7.677  -2.490
  673   1HB   TRP  84          2HB       TRP  84   2.770  -4.767  -2.940
  674   2HB   TRP  84          1HB       TRP  84   1.253  -5.292  -2.208
  675    HD1  TRP  84           HD1      TRP  84   5.008  -6.106  -1.657
  676    HE1  TRP  84           HE1      TRP  84   5.447  -6.168   0.883
  677    HE3  TRP  84           HE3      TRP  84   0.312  -5.090   0.078
  678    HZ2  TRP  84           HZ2      TRP  84   3.997  -5.832   3.329
  679    HZ3  TRP  84           HZ3      TRP  84  -0.131  -4.965   2.512
  680    HH2  TRP  84           HH2      TRP  84   1.704  -5.335   4.139
  681    H    GLU  85           H        GLU  85  -0.089  -7.421  -3.453
  682    HA   GLU  85           HA       GLU  85  -0.112  -6.485  -6.282
  683   1HB   GLU  85          2HB       GLU  85  -1.422  -8.504  -6.926
  684   2HB   GLU  85          1HB       GLU  85   0.210  -8.906  -6.393
  685   1HG   GLU  85          2HG       GLU  85  -0.963  -9.121  -4.027
  686   2HG   GLU  85          1HG       GLU  85  -2.405  -9.383  -5.009
  687    H    PHE  86           H        PHE  86  -1.567  -4.853  -6.185
  688    HA   PHE  86           HA       PHE  86  -3.935  -5.092  -4.412
  689   1HB   PHE  86          2HB       PHE  86  -2.704  -2.803  -5.959
  690   2HB   PHE  86          1HB       PHE  86  -4.275  -2.668  -5.171
  691    HD1  PHE  86           HD2      PHE  86  -0.830  -3.953  -4.365
  692    HD2  PHE  86           HD1      PHE  86  -4.290  -1.787  -3.025
  693    HE1  PHE  86           HE2      PHE  86   0.293  -3.497  -2.204
  694    HE2  PHE  86           HE1      PHE  86  -3.164  -1.328  -0.863
  695    HZ   PHE  86           HZ       PHE  86  -0.873  -2.184  -0.453
  696    H    GLU  87           H        GLU  87  -5.978  -5.370  -5.205
  697    HA   GLU  87           HA       GLU  87  -6.321  -5.376  -8.179
  698   1HB   GLU  87          2HB       GLU  87  -6.526  -7.586  -6.725
  699   2HB   GLU  87          1HB       GLU  87  -8.128  -6.939  -6.366
  700   1HG   GLU  87          2HG       GLU  87  -8.846  -7.119  -8.562
  701   2HG   GLU  87          1HG       GLU  87  -7.215  -6.976  -9.217
  702    H    ASN  88           H        ASN  88  -8.831  -5.123  -8.664
  703    HA   ASN  88           HA       ASN  88  -9.977  -3.084  -6.805
  704   1HB   ASN  88          2HB       ASN  88 -10.722  -1.782  -8.790
  705   2HB   ASN  88          1HB       ASN  88  -8.965  -1.881  -8.682
  706   1HD2  ASN  88          2HD2      ASN  88 -10.722  -3.189 -12.010
  707   2HD2  ASN  88          1HD2      ASN  88 -11.466  -2.168 -10.876
  708    H    GLU  89           H        GLU  89 -12.372  -2.690  -7.407
  709    HA   GLU  89           HA       GLU  89 -13.681  -5.078  -8.581
  710   1HB   GLU  89          2HB       GLU  89 -14.005  -4.120  -5.734
  711   2HB   GLU  89          1HB       GLU  89 -15.264  -5.053  -6.545
  712   1HG   GLU  89          2HG       GLU  89 -12.380  -5.955  -6.315
  713   2HG   GLU  89          1HG       GLU  89 -13.663  -6.467  -5.217
  714    H    ARG  90           H        ARG  90 -14.384  -2.049  -6.813
  715    HA   ARG  90           HA       ARG  90 -15.780  -0.261  -7.341
  716   1HB   ARG  90          2HB       ARG  90 -14.537  -0.384  -9.532
  717   2HB   ARG  90          1HB       ARG  90 -15.847  -1.373 -10.162
  718   1HG   ARG  90          2HG       ARG  90 -16.624   0.707 -10.793
  719   2HG   ARG  90          1HG       ARG  90 -17.320   0.631  -9.174
  720   1HD   ARG  90          2HD       ARG  90 -16.230   2.748  -9.294
  721   2HD   ARG  90          1HD       ARG  90 -15.152   1.718  -8.350
  722    HE   ARG  90           HE       ARG  90 -13.869   1.389 -10.531
  723   1HH1  ARG  90          2HH1      ARG  90 -14.682   4.319  -9.231
  724   2HH1  ARG  90          1HH1      ARG  90 -14.414   5.254 -10.664
  725   1HH2  ARG  90          1HH2      ARG  90 -14.055   2.488 -12.720
  726   2HH2  ARG  90          2HH2      ARG  90 -14.060   4.218 -12.640
  727    H    HIS  91           H        HIS  91 -17.336  -2.400  -9.742
  728    HA   HIS  91           HA       HIS  91 -19.659  -2.578  -7.874
  729   1HB   HIS  91          2HB       HIS  91 -19.479  -1.565 -10.606
  730   2HB   HIS  91          1HB       HIS  91 -20.649  -2.878 -10.493
  731    HD1  HIS  91           HD1      HIS  91 -22.428  -2.584  -8.407
  732    HD2  HIS  91           HD2      HIS  91 -20.486   0.857  -9.734
  733    HE1  HIS  91           HE1      HIS  91 -23.778  -0.624  -7.544
  734    H    ALA  92           HN       ALA  92 -18.423  -4.612  -7.272
  735    HA   ALA  92           HA       ALA  92 -19.676  -6.912  -8.420
  736   1HB   ALA  92          2HB       ALA  92 -16.892  -6.253  -9.374
  737   2HB   ALA  92          1HB       ALA  92 -17.440  -7.927  -9.275
  738   3HB   ALA  92          3HB       ALA  92 -18.285  -6.782 -10.318
   
  No H/Q in entry =         738
  Start of MODEL          13
 Raw file had  756 H/Q atoms
  Start of MODEL   13
    1   1H    ALA   1          1H        ALA   1 -17.006  13.632  -8.782
    2   2H    ALA   1          3H        ALA   1 -16.688  11.969  -8.881
    3   3H    ALA   1          2H        ALA   1 -18.142  12.513  -8.193
    4    HA   ALA   1           HA       ALA   1 -17.010  13.455  -6.332
    5   1HB   ALA   1          2HB       ALA   1 -17.455  10.892  -6.558
    6   2HB   ALA   1          1HB       ALA   1 -15.704  10.770  -6.737
    7   3HB   ALA   1          3HB       ALA   1 -16.394  11.453  -5.265
    8    H    ARG   2           H        ARG   2 -14.929  13.786  -5.217
    9    HA   ARG   2           HA       ARG   2 -12.510  13.637  -6.916
   10   1HB   ARG   2          2HB       ARG   2 -11.984  16.045  -6.416
   11   2HB   ARG   2          1HB       ARG   2 -13.370  15.830  -7.483
   12   1HG   ARG   2          2HG       ARG   2 -14.556  15.776  -4.992
   13   2HG   ARG   2          1HG       ARG   2 -13.253  16.939  -4.755
   14   1HD   ARG   2          2HD       ARG   2 -14.046  18.349  -6.492
   15   2HD   ARG   2          1HD       ARG   2 -15.100  17.092  -7.140
   16    HE   ARG   2           HE       ARG   2 -16.703  17.637  -5.474
   17   1HH1  ARG   2          1HH2      ARG   2 -15.756  17.664  -2.920
   18   2HH1  ARG   2          2HH2      ARG   2 -15.400  19.310  -2.512
   19   1HH2  ARG   2          2HH1      ARG   2 -15.320  20.385  -5.808
   20   2HH2  ARG   2          1HH1      ARG   2 -15.153  20.851  -4.148
   21    HA   PRO   3           HA       PRO   3 -11.412  13.039  -2.602
   22   1HB   PRO   3          2HB       PRO   3 -10.109  10.633  -2.835
   23   2HB   PRO   3          1HB       PRO   3 -11.857  10.784  -2.592
   24   1HG   PRO   3          2HG       PRO   3 -10.363  10.065  -5.058
   25   2HG   PRO   3          1HG       PRO   3 -12.016   9.646  -4.584
   26   1HD   PRO   3          2HD       PRO   3 -11.279  11.652  -6.430
   27   2HD   PRO   3          1HD       PRO   3 -12.883  11.435  -5.704
   28    H    ALA   4           H        ALA   4  -9.559  13.887  -1.759
   29    HA   ALA   4           HA       ALA   4  -7.425  14.822  -3.385
   30   1HB   ALA   4          1HB       ALA   4  -7.841  14.514  -0.433
   31   2HB   ALA   4          3HB       ALA   4  -6.249  14.972  -1.042
   32   3HB   ALA   4          2HB       ALA   4  -7.650  15.986  -1.387
   33    H    PHE   5           H        PHE   5  -7.587  11.954  -1.261
   34    HA   PHE   5           HA       PHE   5  -4.908  11.109  -1.506
   35   1HB   PHE   5          2HB       PHE   5  -6.567  10.076   0.027
   36   2HB   PHE   5          1HB       PHE   5  -7.366   9.340  -1.363
   37    HD1  PHE   5           HD2      PHE   5  -4.050   9.546   0.371
   38    HD2  PHE   5           HD1      PHE   5  -6.626   7.280  -2.214
   39    HE1  PHE   5           HE2      PHE   5  -2.443   7.657   0.424
   40    HE2  PHE   5           HE1      PHE   5  -5.018   5.393  -2.163
   41    HZ   PHE   5           HZ       PHE   5  -2.928   5.582  -0.842
   42    H    VAL   6           H        VAL   6  -7.679  10.157  -3.598
   43    HA   VAL   6           HA       VAL   6  -6.064   8.582  -5.371
   44    HB   VAL   6           HB       VAL   6  -8.652   9.997  -6.070
   45   1HG1  VAL   6          3HG1      VAL   6  -7.131   8.851  -7.848
   46   2HG1  VAL   6          2HG1      VAL   6  -7.636   7.343  -7.088
   47   3HG1  VAL   6          1HG1      VAL   6  -8.837   8.409  -7.811
   48   1HG2  VAL   6          2HG2      VAL   6  -8.167   7.291  -4.772
   49   2HG2  VAL   6          1HG2      VAL   6  -8.923   8.684  -4.001
   50   3HG2  VAL   6          3HG2      VAL   6  -9.730   7.873  -5.340
   51    H    ASN   7           H        ASN   7  -6.666  12.036  -5.161
   52    HA   ASN   7           HA       ASN   7  -5.815  12.707  -7.828
   53   1HB   ASN   7          2HB       ASN   7  -5.992  14.233  -5.241
   54   2HB   ASN   7          1HB       ASN   7  -5.189  14.954  -6.638
   55   1HD2  ASN   7          1HD2      ASN   7  -8.194  14.766  -5.172
   56   2HD2  ASN   7          2HD2      ASN   7  -9.174  15.041  -6.528
   57    H    LYS   8           H        LYS   8  -4.115  12.028  -4.828
   58    HA   LYS   8           HA       LYS   8  -1.487  12.785  -5.897
   59   1HB   LYS   8          2HB       LYS   8  -2.020  10.982  -3.519
   60   2HB   LYS   8          1HB       LYS   8  -0.588  11.958  -3.833
   61   1HG   LYS   8          2HG       LYS   8  -1.719  13.980  -3.342
   62   2HG   LYS   8          1HG       LYS   8  -3.307  13.225  -3.471
   63   1HD   LYS   8          2HD       LYS   8  -3.031  12.038  -1.425
   64   2HD   LYS   8          1HD       LYS   8  -1.297  12.360  -1.385
   65   1HE   LYS   8          2HE       LYS   8  -2.323  14.907  -1.475
   66   2HE   LYS   8          1HE       LYS   8  -3.543  14.064  -0.521
   67   1HZ   LYS   8          1HZ       LYS   8  -1.464  13.112   0.686
   68   2HZ   LYS   8          3HZ       LYS   8  -0.696  14.489   0.060
   69   3HZ   LYS   8          2HZ       LYS   8  -2.043  14.661   1.081
   70    H    LEU   9           H        LEU   9  -3.514   9.944  -5.713
   71    HA   LEU   9           HA       LEU   9  -1.651   7.871  -6.165
   72   1HB   LEU   9          2HB       LEU   9  -4.033   7.529  -5.591
   73   2HB   LEU   9          1HB       LEU   9  -4.501   8.142  -7.173
   74    HG   LEU   9           HG       LEU   9  -2.950   6.253  -8.096
   75   1HD1  LEU   9          2HD1      LEU   9  -3.412   5.434  -5.225
   76   2HD1  LEU   9          1HD1      LEU   9  -3.068   4.255  -6.491
   77   3HD1  LEU   9          3HD1      LEU   9  -1.885   5.505  -6.104
   78   1HD2  LEU   9          1HD2      LEU   9  -5.518   6.463  -8.102
   79   2HD2  LEU   9          3HD2      LEU   9  -4.851   4.840  -8.276
   80   3HD2  LEU   9          2HD2      LEU   9  -5.490   5.369  -6.720
   81    H    TRP  10           H        TRP  10  -3.658   9.533  -8.625
   82    HA   TRP  10           HA       TRP  10  -2.621   8.345 -10.914
   83   1HB   TRP  10          2HB       TRP  10  -3.701  11.101 -10.391
   84   2HB   TRP  10          1HB       TRP  10  -3.137  10.650 -12.001
   85    HD1  TRP  10           HD1      TRP  10  -4.199   8.104 -12.804
   86    HE1  TRP  10           HE1      TRP  10  -6.673   7.384 -12.672
   87    HE3  TRP  10           HE3      TRP  10  -5.903  11.404  -9.310
   88    HZ2  TRP  10           HZ2      TRP  10  -9.059   8.115 -11.284
   89    HZ3  TRP  10           HZ3      TRP  10  -8.273  11.366  -8.596
   90    HH2  TRP  10           HH2      TRP  10  -9.856   9.732  -9.579
   91    H    SER  11           H        SER  11  -0.951  10.654  -8.882
   92    HA   SER  11           HA       SER  11   1.040  11.225 -10.998
   93   1HB   SER  11          2HB       SER  11   1.392  12.130  -8.170
   94   2HB   SER  11          1HB       SER  11   1.772  12.971  -9.670
   95    HG   SER  11           HG       SER  11  -0.060  13.885  -8.753
   96    H    MET  12           H        MET  12   0.754   9.341  -8.029
   97    HA   MET  12           HA       MET  12   3.595   8.753  -7.819
   98   1HB   MET  12          2HB       MET  12   1.084   7.770  -6.517
   99   2HB   MET  12          1HB       MET  12   2.556   6.815  -6.351
  100   1HG   MET  12          2HG       MET  12   3.424   9.411  -5.851
  101   2HG   MET  12          1HG       MET  12   1.833   9.365  -5.095
  102   1HE   MET  12          3HE       MET  12   1.094   7.027  -4.175
  103   2HE   MET  12          2HE       MET  12   2.256   5.743  -4.498
  104   3HE   MET  12          1HE       MET  12   1.979   6.271  -2.842
  105    H    VAL  13           H        VAL  13   0.777   6.842  -8.864
  106    HA   VAL  13           HA       VAL  13   2.403   4.596  -9.696
  107    HB   VAL  13           HB       VAL  13  -0.406   4.972 -10.690
  108   1HG1  VAL  13          2HG1      VAL  13   1.473   2.762  -9.984
  109   2HG1  VAL  13          1HG1      VAL  13  -0.254   2.470  -9.774
  110   3HG1  VAL  13          3HG1      VAL  13   0.379   2.912 -11.360
  111   1HG2  VAL  13          3HG2      VAL  13   0.461   4.590  -7.826
  112   2HG2  VAL  13          2HG2      VAL  13  -0.837   5.598  -8.463
  113   3HG2  VAL  13          1HG2      VAL  13  -1.031   3.847  -8.404
  114    H    ASN  14           H        ASN  14   2.102   7.576 -11.156
  115    HA   ASN  14           HA       ASN  14   1.548   7.062 -13.872
  116   1HB   ASN  14          2HB       ASN  14   2.147   9.300 -12.675
  117   2HB   ASN  14          1HB       ASN  14   3.817   8.872 -13.061
  118   1HD2  ASN  14          2HD2      ASN  14   1.634  10.550 -15.922
  119   2HD2  ASN  14          1HD2      ASN  14   1.289  10.648 -14.262
  120    H    ASP  15           H        ASP  15   4.393   6.318 -11.972
  121    HA   ASP  15           HA       ASP  15   6.079   4.774 -12.370
  122   1HB   ASP  15          2HB       ASP  15   5.796   3.141 -13.922
  123   2HB   ASP  15          1HB       ASP  15   4.207   3.865 -14.107
  124    H    LYS  16           H        LYS  16   5.575   7.317 -14.812
  125    HA   LYS  16           HA       LYS  16   8.140   7.350 -15.961
  126   1HB   LYS  16          2HB       LYS  16   7.728   9.746 -16.423
  127   2HB   LYS  16          1HB       LYS  16   6.303   8.768 -16.769
  128   1HG   LYS  16          2HG       LYS  16   5.088   9.689 -15.061
  129   2HG   LYS  16          1HG       LYS  16   6.489   9.843 -14.005
  130   1HD   LYS  16          2HD       LYS  16   6.075  12.076 -14.512
  131   2HD   LYS  16          1HD       LYS  16   7.246  11.658 -15.763
  132   1HE   LYS  16          2HE       LYS  16   5.738  12.182 -17.347
  133   2HE   LYS  16          1HE       LYS  16   4.646  10.946 -16.727
  134   1HZ   LYS  16          3HZ       LYS  16   4.873  13.642 -15.520
  135   2HZ   LYS  16          2HZ       LYS  16   3.759  13.275 -16.749
  136   3HZ   LYS  16          1HZ       LYS  16   3.668  12.480 -15.250
  137    H    SER  17           H        SER  17   7.183   8.294 -12.741
  138    HA   SER  17           HA       SER  17   9.807   9.618 -12.284
  139   1HB   SER  17          2HB       SER  17   7.176   9.583 -10.869
  140   2HB   SER  17          1HB       SER  17   8.625   9.822  -9.894
  141    HG   SER  17           HG       SER  17   7.497  11.422 -11.889
  142    H    ASN  18           H        ASN  18   7.925   6.786 -11.399
  143    HA   ASN  18           HA       ASN  18  10.326   5.704  -9.968
  144   1HB   ASN  18          2HB       ASN  18   7.482   4.836  -9.407
  145   2HB   ASN  18          1HB       ASN  18   8.917   4.586  -8.420
  146   1HD2  ASN  18          2HD2      ASN  18   6.706   7.848  -7.761
  147   2HD2  ASN  18          1HD2      ASN  18   6.173   6.528  -8.686
  148    H    GLU  19           H        GLU  19  10.326   5.380 -12.599
  149    HA   GLU  19           HA       GLU  19   8.820   3.338 -13.810
  150   1HB   GLU  19          2HB       GLU  19  11.689   4.177 -14.293
  151   2HB   GLU  19          1HB       GLU  19  10.771   3.124 -15.369
  152   1HG   GLU  19          2HG       GLU  19   9.038   4.946 -15.540
  153   2HG   GLU  19          1HG       GLU  19  10.137   5.995 -14.644
  154    H    LYS  20           H        LYS  20  11.438   3.016 -11.499
  155    HA   LYS  20           HA       LYS  20  11.442   0.068 -12.021
  156   1HB   LYS  20          2HB       LYS  20  13.672   0.044 -10.947
  157   2HB   LYS  20          1HB       LYS  20  13.637   1.108 -12.351
  158   1HG   LYS  20          2HG       LYS  20  12.851   2.641 -10.052
  159   2HG   LYS  20          1HG       LYS  20  14.324   1.764  -9.649
  160   1HD   LYS  20          2HD       LYS  20  15.485   3.332 -10.774
  161   2HD   LYS  20          1HD       LYS  20  14.752   2.734 -12.261
  162   1HE   LYS  20          2HE       LYS  20  12.890   4.289 -12.020
  163   2HE   LYS  20          1HE       LYS  20  13.501   4.826 -10.456
  164   1HZ   LYS  20          3HZ       LYS  20  15.597   5.438 -11.706
  165   2HZ   LYS  20          2HZ       LYS  20  14.693   5.245 -13.132
  166   3HZ   LYS  20          1HZ       LYS  20  14.237   6.414 -11.985
  167    H    PHE  21           H        PHE  21   9.376   1.215 -10.439
  168    HA   PHE  21           HA       PHE  21   9.958  -0.146  -7.864
  169   1HB   PHE  21          2HB       PHE  21   9.095   2.720  -8.176
  170   2HB   PHE  21          1HB       PHE  21   8.751   1.815  -6.709
  171    HD1  PHE  21           HD1      PHE  21  10.680   0.752  -5.444
  172    HD2  PHE  21           HD2      PHE  21  11.253   3.634  -8.575
  173    HE1  PHE  21           HE1      PHE  21  12.977   1.185  -4.626
  174    HE2  PHE  21           HE2      PHE  21  13.555   4.067  -7.755
  175    HZ   PHE  21           HZ       PHE  21  14.416   2.841  -5.778
  176    H    ILE  22           H        ILE  22   7.361   1.890  -9.256
  177    HA   ILE  22           HA       ILE  22   5.477  -0.382  -8.759
  178    HB   ILE  22           HB       ILE  22   5.055   1.560  -7.296
  179   1HG1  ILE  22          2HG1      ILE  22   2.936   1.493  -9.457
  180   2HG1  ILE  22          1HG1      ILE  22   3.164   0.173  -8.308
  181   1HG2  ILE  22          3HG2      ILE  22   4.726   3.075  -9.903
  182   2HG2  ILE  22          2HG2      ILE  22   4.361   3.714  -8.300
  183   3HG2  ILE  22          1HG2      ILE  22   6.022   3.303  -8.728
  184   1HD1  ILE  22          1HD1      ILE  22   2.969   2.938  -7.202
  185   2HD1  ILE  22          3HD1      ILE  22   1.486   2.198  -7.805
  186   3HD1  ILE  22          2HD1      ILE  22   2.404   1.413  -6.519
  187    H    HIS  23           H        HIS  23   4.235  -1.051 -10.483
  188    HA   HIS  23           HA       HIS  23   4.059   0.647 -12.906
  189   1HB   HIS  23          2HB       HIS  23   6.109  -0.994 -12.934
  190   2HB   HIS  23          1HB       HIS  23   4.883  -2.225 -13.239
  191    HD1  HIS  23           HD1      HIS  23   3.194  -1.581 -15.329
  192    HD2  HIS  23           HD2      HIS  23   6.891   0.339 -15.225
  193    HE1  HIS  23           HE1      HIS  23   3.593  -0.677 -17.658
  194    H    TRP  24           H        TRP  24   2.158   0.272 -14.053
  195    HA   TRP  24           HA       TRP  24  -0.022  -1.023 -12.754
  196   1HB   TRP  24          2HB       TRP  24   0.400  -0.152 -15.620
  197   2HB   TRP  24          1HB       TRP  24  -1.122  -0.841 -15.055
  198    HD1  TRP  24           HD1      TRP  24   1.247   2.104 -14.277
  199    HE1  TRP  24           HE1      TRP  24  -0.163   4.037 -13.318
  200    HE3  TRP  24           HE3      TRP  24  -3.322  -0.165 -14.039
  201    HZ2  TRP  24           HZ2      TRP  24  -2.869   4.554 -12.552
  202    HZ3  TRP  24           HZ3      TRP  24  -5.296   1.069 -13.193
  203    HH2  TRP  24           HH2      TRP  24  -5.076   3.425 -12.448
  204    H    SER  25           H        SER  25  -1.294  -2.868 -13.747
  205    HA   SER  25           HA       SER  25   0.347  -5.217 -13.949
  206   1HB   SER  25          2HB       SER  25  -1.927  -5.384 -13.108
  207   2HB   SER  25          1HB       SER  25  -2.573  -4.762 -14.623
  208    HG   SER  25           HG       SER  25  -2.678  -6.839 -15.042
  209    H    THR  26           H        THR  26  -0.643  -2.885 -16.308
  210    HA   THR  26           HA       THR  26  -0.254  -2.755 -18.609
  211    HB   THR  26           HB       THR  26   1.433  -5.239 -18.379
  212    HG1  THR  26           HG1      THR  26   2.508  -4.233 -16.899
  213   1HG2  THR  26          1HG2      THR  26   1.064  -4.138 -20.591
  214   2HG2  THR  26          3HG2      THR  26   1.778  -2.665 -19.936
  215   3HG2  THR  26          2HG2      THR  26   2.756  -4.124 -20.091
  216    H    SER  27           H        SER  27  -2.585  -4.072 -17.784
  217    HA   SER  27           HA       SER  27  -3.152  -5.669 -20.152
  218   1HB   SER  27          2HB       SER  27  -2.263  -7.034 -17.811
  219   2HB   SER  27          1HB       SER  27  -3.984  -7.364 -17.984
  220    HG   SER  27           HG       SER  27  -1.844  -8.083 -19.582
  221    H    GLY  28           H        GLY  28  -4.437  -5.392 -16.818
  222   1HA   GLY  28          2HA       GLY  28  -6.988  -4.387 -18.021
  223   2HA   GLY  28          1HA       GLY  28  -6.948  -5.439 -16.604
  224    H    GLU  29           H        GLU  29  -6.152  -4.559 -14.595
  225    HA   GLU  29           HA       GLU  29  -5.307  -1.807 -14.345
  226   1HB   GLU  29          2HB       GLU  29  -7.363  -1.041 -13.088
  227   2HB   GLU  29          1HB       GLU  29  -7.605  -1.252 -14.819
  228   1HG   GLU  29          2HG       GLU  29  -8.101  -3.728 -13.344
  229   2HG   GLU  29          1HG       GLU  29  -9.130  -2.415 -12.781
  230    H    SER  30           H        SER  30  -3.739  -2.653 -12.940
  231    HA   SER  30           HA       SER  30  -4.628  -3.131 -10.195
  232   1HB   SER  30          2HB       SER  30  -2.897  -5.321 -11.257
  233   2HB   SER  30          1HB       SER  30  -4.066  -5.355  -9.942
  234    HG   SER  30           HG       SER  30  -4.597  -6.414 -12.062
  235    H    ILE  31           H        ILE  31  -2.890  -2.890  -8.701
  236    HA   ILE  31           HA       ILE  31  -0.486  -1.607  -9.887
  237    HB   ILE  31           HB       ILE  31  -1.383  -1.721  -6.986
  238   1HG1  ILE  31          2HG1      ILE  31  -1.612   0.642  -8.855
  239   2HG1  ILE  31          1HG1      ILE  31  -2.911  -0.546  -8.719
  240   1HG2  ILE  31          1HG2      ILE  31   0.894  -0.482  -8.464
  241   2HG2  ILE  31          3HG2      ILE  31   0.138   0.492  -7.203
  242   3HG2  ILE  31          2HG2      ILE  31   0.824  -1.085  -6.807
  243   1HD1  ILE  31          3HD1      ILE  31  -2.476  -0.114  -6.103
  244   2HD1  ILE  31          2HD1      ILE  31  -1.952   1.451  -6.725
  245   3HD1  ILE  31          1HD1      ILE  31  -3.589   0.878  -7.045
  246    H    VAL  32           H        VAL  32   1.318  -2.842 -10.113
  247    HA   VAL  32           HA       VAL  32   1.587  -5.273  -8.407
  248    HB   VAL  32           HB       VAL  32   3.100  -4.539 -10.932
  249   1HG1  VAL  32          1HG1      VAL  32   3.209  -6.773  -8.986
  250   2HG1  VAL  32          3HG1      VAL  32   3.216  -7.251 -10.682
  251   3HG1  VAL  32          2HG1      VAL  32   4.458  -6.161 -10.068
  252   1HG2  VAL  32          2HG2      VAL  32   0.447  -5.126 -10.843
  253   2HG2  VAL  32          1HG2      VAL  32   1.493  -5.599 -12.180
  254   3HG2  VAL  32          3HG2      VAL  32   1.118  -6.755 -10.902
  255    H    VAL  33           H        VAL  33   3.132  -5.335  -6.866
  256    HA   VAL  33           HA       VAL  33   5.355  -3.336  -6.994
  257    HB   VAL  33           HB       VAL  33   3.853  -4.209  -4.504
  258   1HG1  VAL  33          3HG1      VAL  33   6.398  -2.812  -4.973
  259   2HG1  VAL  33          2HG1      VAL  33   5.295  -1.911  -3.932
  260   3HG1  VAL  33          1HG1      VAL  33   5.777  -3.550  -3.498
  261   1HG2  VAL  33          3HG2      VAL  33   2.652  -2.659  -6.157
  262   2HG2  VAL  33          2HG2      VAL  33   2.825  -2.055  -4.509
  263   3HG2  VAL  33          1HG2      VAL  33   3.896  -1.466  -5.781
  264    HA   PRO  34           HA       PRO  34   7.141  -7.468  -6.512
  265   1HB   PRO  34          2HB       PRO  34   9.490  -6.954  -7.832
  266   2HB   PRO  34          1HB       PRO  34   8.006  -7.476  -8.648
  267   1HG   PRO  34          2HG       PRO  34   9.265  -4.784  -8.590
  268   2HG   PRO  34          1HG       PRO  34   8.195  -5.498  -9.807
  269   1HD   PRO  34          2HD       PRO  34   7.447  -3.624  -7.821
  270   2HD   PRO  34          1HD       PRO  34   6.346  -4.564  -8.848
  271    H    ASN  35           H        ASN  35   8.494  -4.272  -5.933
  272    HA   ASN  35           HA       ASN  35  10.020  -5.404  -3.629
  273   1HB   ASN  35          2HB       ASN  35  10.935  -3.166  -5.464
  274   2HB   ASN  35          1HB       ASN  35  11.808  -3.767  -4.054
  275   1HD2  ASN  35          2HD2      ASN  35  12.624  -5.520  -7.464
  276   2HD2  ASN  35          1HD2      ASN  35  12.126  -3.912  -7.244
  277    H    ARG  36           H        ARG  36   8.016  -4.759  -2.478
  278    HA   ARG  36           HA       ARG  36   7.214  -1.981  -2.330
  279   1HB   ARG  36          2HB       ARG  36   5.974  -4.245  -1.649
  280   2HB   ARG  36          1HB       ARG  36   6.680  -3.869  -0.078
  281   1HG   ARG  36          2HG       ARG  36   5.653  -1.419  -0.955
  282   2HG   ARG  36          1HG       ARG  36   4.436  -2.596  -1.448
  283   1HD   ARG  36          2HD       ARG  36   4.827  -3.538   0.998
  284   2HD   ARG  36          1HD       ARG  36   5.388  -1.895   1.304
  285    HE   ARG  36           HE       ARG  36   2.648  -2.671   1.011
  286   1HH1  ARG  36          1HH2      ARG  36   4.654  -0.040   1.399
  287   2HH1  ARG  36          2HH2      ARG  36   3.599   1.114   0.654
  288   1HH2  ARG  36          2HH1      ARG  36   1.384  -1.279  -0.529
  289   2HH2  ARG  36          1HH1      ARG  36   1.748   0.412  -0.438
  290    H    GLU  37           H        GLU  37   9.694  -3.866  -0.788
  291    HA   GLU  37           HA       GLU  37   9.995  -2.309   1.608
  292   1HB   GLU  37          2HB       GLU  37  10.978  -4.598   1.184
  293   2HB   GLU  37          1HB       GLU  37  12.162  -3.824   0.130
  294   1HG   GLU  37          2HG       GLU  37  13.217  -2.729   1.888
  295   2HG   GLU  37          1HG       GLU  37  11.775  -2.755   2.904
  296    H    ARG  38           H        ARG  38  11.551  -2.100  -1.597
  297    HA   ARG  38           HA       ARG  38  13.142   0.226  -0.792
  298   1HB   ARG  38          2HB       ARG  38  12.664  -1.006  -3.522
  299   2HB   ARG  38          1HB       ARG  38  13.859   0.232  -3.153
  300   1HG   ARG  38          2HG       ARG  38  14.330  -1.770  -1.246
  301   2HG   ARG  38          1HG       ARG  38  14.003  -2.651  -2.736
  302   1HD   ARG  38          2HD       ARG  38  16.005  -2.080  -3.598
  303   2HD   ARG  38          1HD       ARG  38  15.739  -0.374  -3.245
  304    HE   ARG  38           HE       ARG  38  16.405  -1.812  -0.837
  305   1HH1  ARG  38          1HH2      ARG  38  17.583   0.777  -1.132
  306   2HH1  ARG  38          2HH2      ARG  38  19.207   0.468  -1.648
  307   1HH2  ARG  38          1HH1      ARG  38  19.753  -1.554  -2.506
  308   2HH2  ARG  38          2HH1      ARG  38  18.547  -2.789  -2.646
  309    H    PHE  39           H        PHE  39  10.178  -0.392  -2.587
  310    HA   PHE  39           HA       PHE  39   9.712   2.040  -3.877
  311   1HB   PHE  39          2HB       PHE  39   8.158   0.258  -4.205
  312   2HB   PHE  39          1HB       PHE  39   7.828   0.123  -2.483
  313    HD1  PHE  39           HD1      PHE  39   7.213   2.144  -5.529
  314    HD2  PHE  39           HD2      PHE  39   6.278   1.609  -1.374
  315    HE1  PHE  39           HE1      PHE  39   5.300   3.701  -5.764
  316    HE2  PHE  39           HE2      PHE  39   4.359   3.167  -1.608
  317    HZ   PHE  39           HZ       PHE  39   3.871   4.213  -3.803
  318    H    VAL  40           H        VAL  40   8.506   1.288  -0.581
  319    HA   VAL  40           HA       VAL  40   7.599   3.888   0.042
  320    HB   VAL  40           HB       VAL  40   8.785   1.914   2.011
  321   1HG1  VAL  40          3HG1      VAL  40   7.969   4.422   2.520
  322   2HG1  VAL  40          2HG1      VAL  40   6.403   3.615   2.570
  323   3HG1  VAL  40          1HG1      VAL  40   7.695   3.100   3.654
  324   1HG2  VAL  40          2HG2      VAL  40   6.131   2.001   0.581
  325   2HG2  VAL  40          1HG2      VAL  40   7.212   0.627   0.813
  326   3HG2  VAL  40          3HG2      VAL  40   6.276   1.253   2.170
  327    H    GLN  41           H        GLN  41  10.764   2.425   0.808
  328    HA   GLN  41           HA       GLN  41  11.829   4.721   2.123
  329   1HB   GLN  41          2HB       GLN  41  12.711   2.117   1.480
  330   2HB   GLN  41          1HB       GLN  41  13.903   3.205   0.777
  331   1HG   GLN  41          2HG       GLN  41  14.750   3.701   2.807
  332   2HG   GLN  41          1HG       GLN  41  13.156   4.116   3.434
  333   1HE2  GLN  41          2HE2      GLN  41  14.629   0.335   4.035
  334   2HE2  GLN  41          1HE2      GLN  41  15.332   1.330   2.854
  335    H    GLU  42           H        GLU  42  11.305   4.199  -1.254
  336    HA   GLU  42           HA       GLU  42  12.898   6.663  -1.792
  337   1HB   GLU  42          2HB       GLU  42  12.918   4.104  -3.410
  338   2HB   GLU  42          1HB       GLU  42  13.596   5.632  -3.974
  339   1HG   GLU  42          2HG       GLU  42  14.413   4.392  -1.342
  340   2HG   GLU  42          1HG       GLU  42  15.236   4.010  -2.855
  341    H    VAL  43           H        VAL  43   9.917   5.990  -1.542
  342    HA   VAL  43           HA       VAL  43   9.125   7.503  -3.946
  343    HB   VAL  43           HB       VAL  43   7.782   4.849  -3.341
  344   1HG1  VAL  43          1HG1      VAL  43   7.419   7.023  -5.395
  345   2HG1  VAL  43          3HG1      VAL  43   6.923   5.365  -5.740
  346   3HG1  VAL  43          2HG1      VAL  43   6.201   6.238  -4.388
  347   1HG2  VAL  43          3HG2      VAL  43   9.766   5.620  -5.508
  348   2HG2  VAL  43          2HG2      VAL  43  10.027   4.436  -4.229
  349   3HG2  VAL  43          1HG2      VAL  43   8.839   4.121  -5.491
  350    H    LEU  44           H        LEU  44   8.101   5.975  -0.882
  351    HA   LEU  44           HA       LEU  44   5.572   7.264  -0.691
  352   1HB   LEU  44          2HB       LEU  44   6.479   5.369   0.768
  353   2HB   LEU  44          1HB       LEU  44   7.306   6.620   1.696
  354    HG   LEU  44           HG       LEU  44   5.092   7.773   1.992
  355   1HD1  LEU  44          1HD1      LEU  44   4.167   5.262   0.584
  356   2HD1  LEU  44          3HD1      LEU  44   3.089   6.210   1.609
  357   3HD1  LEU  44          2HD1      LEU  44   3.805   6.939   0.171
  358   1HD2  LEU  44          3HD2      LEU  44   6.156   6.041   3.600
  359   2HD2  LEU  44          2HD2      LEU  44   4.446   6.409   3.816
  360   3HD2  LEU  44          1HD2      LEU  44   4.931   4.927   2.992
  361    HA   PRO  45           HA       PRO  45   7.655  10.813   1.560
  362   1HB   PRO  45          2HB       PRO  45  10.367  11.187   1.403
  363   2HB   PRO  45          1HB       PRO  45   9.576  10.277   2.702
  364   1HG   PRO  45          2HG       PRO  45  11.125   9.262   0.368
  365   2HG   PRO  45          1HG       PRO  45  10.903   8.539   1.971
  366   1HD   PRO  45          2HD       PRO  45   9.554   7.759  -0.370
  367   2HD   PRO  45          1HD       PRO  45   9.082   7.347   1.287
  368    H    LYS  46           H        LYS  46   8.623   9.820  -1.604
  369    HA   LYS  46           HA       LYS  46   9.605  12.341  -2.588
  370   1HB   LYS  46          2HB       LYS  46   9.552   9.848  -3.616
  371   2HB   LYS  46          1HB       LYS  46   8.166  10.539  -4.460
  372   1HG   LYS  46          2HG       LYS  46   9.909  11.123  -5.893
  373   2HG   LYS  46          1HG       LYS  46   9.789  12.562  -4.885
  374   1HD   LYS  46          2HD       LYS  46  11.509  10.787  -3.499
  375   2HD   LYS  46          1HD       LYS  46  12.015  10.733  -5.186
  376   1HE   LYS  46          2HE       LYS  46  12.487  13.034  -5.250
  377   2HE   LYS  46          1HE       LYS  46  11.483  13.375  -3.840
  378   1HZ   LYS  46          2HZ       LYS  46  13.168  11.814  -2.664
  379   2HZ   LYS  46          1HZ       LYS  46  14.184  12.224  -3.963
  380   3HZ   LYS  46          3HZ       LYS  46  13.579  13.438  -2.946
  381    H    TYR  47           H        TYR  47   6.389  11.054  -2.064
  382    HA   TYR  47           HA       TYR  47   5.256  13.530  -3.310
  383   1HB   TYR  47          2HB       TYR  47   3.964  10.809  -2.942
  384   2HB   TYR  47          1HB       TYR  47   3.173  12.227  -3.631
  385    HD1  TYR  47           HD2      TYR  47   6.105   9.955  -4.077
  386    HD2  TYR  47           HD1      TYR  47   3.415  12.753  -5.917
  387    HE1  TYR  47           HE2      TYR  47   7.060   9.411  -6.302
  388    HE2  TYR  47           HE1      TYR  47   4.371  12.209  -8.140
  389    HH   TYR  47           HH       TYR  47   5.586  10.436  -9.232
  390    H    PHE  48           H        PHE  48   4.731  11.147  -0.698
  391    HA   PHE  48           HA       PHE  48   2.938  12.944   0.750
  392   1HB   PHE  48          2HB       PHE  48   4.242  10.311   1.492
  393   2HB   PHE  48          1HB       PHE  48   3.120  11.172   2.540
  394    HD1  PHE  48           HD2      PHE  48   3.470   9.501  -0.764
  395    HD2  PHE  48           HD1      PHE  48   0.762  11.138   2.143
  396    HE1  PHE  48           HE2      PHE  48   1.556   8.502  -1.985
  397    HE2  PHE  48           HE1      PHE  48  -1.151  10.136   0.922
  398    HZ   PHE  48           HZ       PHE  48  -0.755   8.819  -1.141
  399    H    LYS  49           H        LYS  49   3.570  13.105   3.269
  400    HA   LYS  49           HA       LYS  49   6.428  13.924   3.509
  401   1HB   LYS  49          2HB       LYS  49   4.003  15.585   4.253
  402   2HB   LYS  49          1HB       LYS  49   5.649  15.964   4.763
  403   1HG   LYS  49          2HG       LYS  49   6.351  16.456   2.585
  404   2HG   LYS  49          1HG       LYS  49   5.051  15.518   1.850
  405   1HD   LYS  49          2HD       LYS  49   4.106  17.574   1.537
  406   2HD   LYS  49          1HD       LYS  49   3.595  17.364   3.212
  407   1HE   LYS  49          2HE       LYS  49   5.358  18.711   4.039
  408   2HE   LYS  49          1HE       LYS  49   6.263  18.599   2.530
  409   1HZ   LYS  49          2HZ       LYS  49   4.184  19.727   1.539
  410   2HZ   LYS  49          1HZ       LYS  49   3.870  20.199   3.142
  411   3HZ   LYS  49          3HZ       LYS  49   5.311  20.674   2.385
  412    H    HIS  50           H        HIS  50   7.184  12.642   5.124
  413    HA   HIS  50           HA       HIS  50   7.317  11.517   7.179
  414   1HB   HIS  50          2HB       HIS  50   5.355  13.705   7.930
  415   2HB   HIS  50          1HB       HIS  50   6.129  12.625   9.088
  416    HD1  HIS  50           HD1      HIS  50   6.867  15.453   6.719
  417    HD2  HIS  50           HD2      HIS  50   8.884  13.151   9.551
  418    HE1  HIS  50           HE1      HIS  50   9.109  16.573   7.090
  419    H    SER  51           H        SER  51   5.460  10.529   5.216
  420    HA   SER  51           HA       SER  51   3.121   9.630   6.811
  421   1HB   SER  51          2HB       SER  51   2.730  10.460   4.509
  422   2HB   SER  51          1HB       SER  51   3.796   9.205   3.883
  423    HG   SER  51           HG       SER  51   1.198   9.062   4.687
  424    H    ASN  52           H        ASN  52   2.586   7.285   6.753
  425    HA   ASN  52           HA       ASN  52   5.053   5.595   6.626
  426   1HB   ASN  52          2HB       ASN  52   3.545   6.154   8.881
  427   2HB   ASN  52          1HB       ASN  52   2.888   4.604   8.356
  428   1HD2  ASN  52          2HD2      ASN  52   6.790   4.809   9.624
  429   2HD2  ASN  52          1HD2      ASN  52   5.977   6.232   9.185
  430    H    PHE  53           H        PHE  53   4.853   3.618   5.567
  431    HA   PHE  53           HA       PHE  53   2.978   3.260   3.520
  432   1HB   PHE  53          2HB       PHE  53   3.621   0.807   3.640
  433   2HB   PHE  53          1HB       PHE  53   4.965   1.934   3.487
  434    HD1  PHE  53           HD2      PHE  53   3.060  -0.181   5.878
  435    HD2  PHE  53           HD1      PHE  53   6.609   2.151   5.218
  436    HE1  PHE  53           HE2      PHE  53   4.041  -1.079   7.970
  437    HE2  PHE  53           HE1      PHE  53   7.589   1.250   7.311
  438    HZ   PHE  53           HZ       PHE  53   6.304  -0.365   8.688
  439    H    ALA  54           H        ALA  54   2.663   2.453   6.904
  440    HA   ALA  54           HA       ALA  54   0.491   0.612   6.753
  441   1HB   ALA  54          3HB       ALA  54   1.858   1.187   8.813
  442   2HB   ALA  54          2HB       ALA  54   0.913   2.672   8.934
  443   3HB   ALA  54          1HB       ALA  54   0.116   1.105   9.079
  444    H    SER  55           H        SER  55   0.440   4.166   7.235
  445    HA   SER  55           HA       SER  55  -2.414   4.416   7.131
  446   1HB   SER  55          2HB       SER  55  -0.107   6.300   6.772
  447   2HB   SER  55          1HB       SER  55  -1.722   6.838   6.323
  448    HG   SER  55           HG       SER  55  -2.387   6.586   8.387
  449    H    PHE  56           H        PHE  56   0.070   4.241   4.664
  450    HA   PHE  56           HA       PHE  56  -1.425   5.181   2.425
  451   1HB   PHE  56          2HB       PHE  56   1.043   4.738   2.461
  452   2HB   PHE  56          1HB       PHE  56   0.696   3.013   2.484
  453    HD1  PHE  56           HD2      PHE  56  -0.945   5.792   0.580
  454    HD2  PHE  56           HD1      PHE  56   1.358   2.174   0.402
  455    HE1  PHE  56           HE2      PHE  56  -1.118   5.804  -1.896
  456    HE2  PHE  56           HE1      PHE  56   1.186   2.184  -2.072
  457    HZ   PHE  56           HZ       PHE  56  -0.053   3.999  -3.221
  458    H    VAL  57           H        VAL  57  -1.148   1.987   3.917
  459    HA   VAL  57           HA       VAL  57  -2.740   0.580   1.976
  460    HB   VAL  57           HB       VAL  57  -2.167  -0.045   4.892
  461   1HG1  VAL  57          1HG1      VAL  57  -3.911  -1.335   2.951
  462   2HG1  VAL  57          3HG1      VAL  57  -2.612  -2.423   3.442
  463   3HG1  VAL  57          2HG1      VAL  57  -3.674  -1.712   4.657
  464   1HG2  VAL  57          3HG2      VAL  57  -0.857  -0.902   2.294
  465   2HG2  VAL  57          2HG2      VAL  57  -0.133   0.074   3.573
  466   3HG2  VAL  57          1HG2      VAL  57  -0.503  -1.625   3.862
  467    H    ARG  58           H        ARG  58  -3.495   2.316   4.974
  468    HA   ARG  58           HA       ARG  58  -6.267   1.463   5.048
  469   1HB   ARG  58          2HB       ARG  58  -4.676   2.609   6.880
  470   2HB   ARG  58          1HB       ARG  58  -5.449   4.070   6.264
  471   1HG   ARG  58          2HG       ARG  58  -7.268   1.786   6.802
  472   2HG   ARG  58          1HG       ARG  58  -6.528   2.526   8.221
  473   1HD   ARG  58          2HD       ARG  58  -7.513   4.496   6.278
  474   2HD   ARG  58          1HD       ARG  58  -8.785   3.464   6.931
  475    HE   ARG  58           HE       ARG  58  -6.951   4.630   8.922
  476   1HH1  ARG  58          2HH1      ARG  58  -9.760   3.674   9.475
  477   2HH1  ARG  58          1HH1      ARG  58 -10.619   5.171   9.620
  478   1HH2  ARG  58          1HH2      ARG  58  -8.124   7.056   8.122
  479   2HH2  ARG  58          2HH2      ARG  58  -9.695   7.085   8.853
  480    H    GLN  59           H        GLN  59  -4.556   3.916   3.250
  481    HA   GLN  59           HA       GLN  59  -6.919   5.547   2.727
  482   1HB   GLN  59          2HB       GLN  59  -4.163   5.406   1.491
  483   2HB   GLN  59          1HB       GLN  59  -5.428   6.440   0.831
  484   1HG   GLN  59          2HG       GLN  59  -4.436   6.539   3.695
  485   2HG   GLN  59          1HG       GLN  59  -3.963   7.666   2.422
  486   1HE2  GLN  59          2HE2      GLN  59  -7.173   8.619   4.467
  487   2HE2  GLN  59          1HE2      GLN  59  -5.851   7.714   5.028
  488    H    LEU  60           H        LEU  60  -5.019   3.177   0.855
  489    HA   LEU  60           HA       LEU  60  -6.723   3.124  -1.442
  490   1HB   LEU  60          2HB       LEU  60  -4.943   0.947  -0.303
  491   2HB   LEU  60          1HB       LEU  60  -5.613   0.966  -1.932
  492    HG   LEU  60           HG       LEU  60  -3.982   3.291  -0.933
  493   1HD1  LEU  60          1HD1      LEU  60  -3.023   0.608  -1.917
  494   2HD1  LEU  60          3HD1      LEU  60  -2.075   2.064  -2.219
  495   3HD1  LEU  60          2HD1      LEU  60  -2.423   1.567  -0.564
  496   1HD2  LEU  60          3HD2      LEU  60  -5.403   3.174  -3.128
  497   2HD2  LEU  60          2HD2      LEU  60  -3.759   3.802  -3.218
  498   3HD2  LEU  60          1HD2      LEU  60  -4.098   2.146  -3.718
  499    H    ASN  61           H        ASN  61  -6.813   1.334   1.601
  500    HA   ASN  61           HA       ASN  61  -8.939  -0.417   0.688
  501   1HB   ASN  61          2HB       ASN  61  -8.236  -1.720   2.381
  502   2HB   ASN  61          1HB       ASN  61  -7.009  -0.511   2.712
  503   1HD2  ASN  61          2HD2      ASN  61  -9.116   0.991   5.322
  504   2HD2  ASN  61          1HD2      ASN  61  -8.374   1.498   3.885
  505    H    MET  62           H        MET  62  -8.814   2.716   2.130
  506    HA   MET  62           HA       MET  62 -11.607   2.549   3.081
  507   1HB   MET  62          2HB       MET  62  -9.709   3.837   4.252
  508   2HB   MET  62          1HB       MET  62  -9.913   5.042   2.979
  509   1HG   MET  62          2HG       MET  62 -12.256   5.346   3.581
  510   2HG   MET  62          1HG       MET  62 -12.145   4.054   4.777
  511   1HE   MET  62          1HE       MET  62 -13.375   6.465   5.707
  512   2HE   MET  62          3HE       MET  62 -12.415   7.813   6.332
  513   3HE   MET  62          2HE       MET  62 -12.601   7.590   4.593
  514    H    TYR  63           H        TYR  63 -10.288   2.945   0.058
  515    HA   TYR  63           HA       TYR  63 -12.433   4.869  -0.739
  516   1HB   TYR  63          2HB       TYR  63  -9.669   4.398  -1.819
  517   2HB   TYR  63          1HB       TYR  63 -10.924   5.072  -2.861
  518    HD1  TYR  63           HD2      TYR  63 -12.448   6.899  -1.513
  519    HD2  TYR  63           HD1      TYR  63  -8.322   5.985  -0.763
  520    HE1  TYR  63           HE2      TYR  63 -12.149   9.125  -0.465
  521    HE2  TYR  63           HE1      TYR  63  -8.021   8.210   0.292
  522    HH   TYR  63           HH       TYR  63  -9.827  10.703  -0.128
  523    H    GLY  64           H        GLY  64 -10.715   1.908  -1.821
  524   1HA   GLY  64          2HA       GLY  64 -13.012   0.485  -2.559
  525   2HA   GLY  64          1HA       GLY  64 -12.582   1.427  -3.984
  526    H    TRP  65           H        TRP  65  -9.638   1.204  -3.305
  527    HA   TRP  65           HA       TRP  65  -8.931  -0.976  -4.926
  528   1HB   TRP  65          2HB       TRP  65  -7.382   0.307  -2.660
  529   2HB   TRP  65          1HB       TRP  65  -6.679  -0.836  -3.804
  530    HD1  TRP  65           HD1      TRP  65  -7.776   2.749  -3.450
  531    HE1  TRP  65           HE1      TRP  65  -7.221   4.040  -5.611
  532    HE3  TRP  65           HE3      TRP  65  -6.457  -1.139  -6.489
  533    HZ2  TRP  65           HZ2      TRP  65  -6.334   3.498  -8.275
  534    HZ3  TRP  65           HZ3      TRP  65  -5.763  -0.723  -8.830
  535    HH2  TRP  65           HH2      TRP  65  -5.700   1.587  -9.727
  536    H    HIS  66           H        HIS  66  -9.107  -3.145  -4.632
  537    HA   HIS  66           HA       HIS  66  -9.560  -4.158  -1.868
  538   1HB   HIS  66          2HB       HIS  66 -10.219  -5.217  -4.612
  539   2HB   HIS  66          1HB       HIS  66 -10.255  -6.268  -3.197
  540    HD1  HIS  66           HD1      HIS  66 -12.561  -4.528  -5.106
  541    HD2  HIS  66           HD2      HIS  66 -11.804  -4.532  -1.007
  542    HE1  HIS  66           HE1      HIS  66 -14.664  -3.665  -3.988
  543    H    LYS  67           H        LYS  67  -8.684  -6.416  -1.478
  544    HA   LYS  67           HA       LYS  67  -5.993  -6.814  -2.715
  545   1HB   LYS  67          2HB       LYS  67  -5.753  -5.764  -0.474
  546   2HB   LYS  67          1HB       LYS  67  -6.700  -7.072   0.230
  547   1HG   LYS  67          2HG       LYS  67  -4.675  -8.352  -1.257
  548   2HG   LYS  67          1HG       LYS  67  -3.871  -7.015  -0.441
  549   1HD   LYS  67          2HD       LYS  67  -5.710  -8.961   0.978
  550   2HD   LYS  67          1HD       LYS  67  -3.959  -9.162   0.897
  551   1HE   LYS  67          2HE       LYS  67  -3.547  -7.377   2.300
  552   2HE   LYS  67          1HE       LYS  67  -4.990  -6.506   1.787
  553   1HZ   LYS  67          1HZ       LYS  67  -5.846  -8.852   3.031
  554   2HZ   LYS  67          3HZ       LYS  67  -4.646  -8.182   4.026
  555   3HZ   LYS  67          2HZ       LYS  67  -6.001  -7.256   3.591
  556    H    VAL  68           H        VAL  68  -5.439  -9.024  -3.000
  557    HA   VAL  68           HA       VAL  68  -7.638 -10.951  -2.370
  558    HB   VAL  68           HB       VAL  68  -7.352 -10.555  -4.790
  559   1HG1  VAL  68          3HG1      VAL  68  -4.520 -10.877  -4.066
  560   2HG1  VAL  68          2HG1      VAL  68  -4.988 -11.794  -5.498
  561   3HG1  VAL  68          1HG1      VAL  68  -5.245 -10.051  -5.444
  562   1HG2  VAL  68          3HG2      VAL  68  -6.911 -13.173  -3.490
  563   2HG2  VAL  68          2HG2      VAL  68  -8.092 -12.709  -4.712
  564   3HG2  VAL  68          1HG2      VAL  68  -6.443 -13.114  -5.189
  565    H    GLN  69           H        GLN  69  -6.130 -10.788  -0.271
  566    HA   GLN  69           HA       GLN  69  -4.651 -11.922   1.154
  567   1HB   GLN  69          2HB       GLN  69  -5.569 -13.931  -0.834
  568   2HB   GLN  69          1HB       GLN  69  -4.137 -14.363   0.098
  569   1HG   GLN  69          2HG       GLN  69  -5.687 -15.084   1.616
  570   2HG   GLN  69          1HG       GLN  69  -5.692 -13.384   2.085
  571   1HE2  GLN  69          2HE2      GLN  69  -9.199 -13.552   1.547
  572   2HE2  GLN  69          1HE2      GLN  69  -7.966 -13.436   2.707
  573    H    ASP  70           H        ASP  70  -3.473 -10.182  -0.776
  574    HA   ASP  70           HA       ASP  70  -1.378  -9.636  -1.640
  575   1HB   ASP  70          2HB       ASP  70  -0.761 -11.790   0.350
  576   2HB   ASP  70          1HB       ASP  70   0.520 -11.253  -0.737
  577    H    VAL  71           H        VAL  71  -0.484 -13.077  -1.542
  578    HA   VAL  71           HA       VAL  71  -0.677 -13.064  -4.524
  579    HB   VAL  71           HB       VAL  71   1.101 -14.896  -4.363
  580   1HG1  VAL  71          2HG1      VAL  71   1.381 -12.318  -4.793
  581   2HG1  VAL  71          1HG1      VAL  71   2.127 -12.327  -3.195
  582   3HG1  VAL  71          3HG1      VAL  71   2.807 -13.310  -4.491
  583   1HG2  VAL  71          2HG2      VAL  71   0.659 -15.247  -1.866
  584   2HG2  VAL  71          1HG2      VAL  71   2.353 -15.113  -2.333
  585   3HG2  VAL  71          3HG2      VAL  71   1.531 -13.738  -1.598
  586    H    LYS  72           H        LYS  72  -2.941 -13.774  -4.225
  587    HA   LYS  72           HA       LYS  72  -3.591 -16.270  -2.940
  588   1HB   LYS  72          2HB       LYS  72  -5.268 -14.503  -3.481
  589   2HB   LYS  72          1HB       LYS  72  -5.055 -14.859  -5.194
  590   1HG   LYS  72          2HG       LYS  72  -6.975 -16.102  -4.520
  591   2HG   LYS  72          1HG       LYS  72  -5.664 -17.277  -4.618
  592   1HD   LYS  72          2HD       LYS  72  -5.372 -16.493  -2.046
  593   2HD   LYS  72          1HD       LYS  72  -7.110 -16.250  -2.235
  594   1HE   LYS  72          2HE       LYS  72  -5.878 -18.802  -3.223
  595   2HE   LYS  72          1HE       LYS  72  -6.183 -18.609  -1.498
  596   1HZ   LYS  72          1HZ       LYS  72  -8.499 -17.936  -2.149
  597   2HZ   LYS  72          3HZ       LYS  72  -8.143 -18.486  -3.713
  598   3HZ   LYS  72          2HZ       LYS  72  -8.109 -19.571  -2.406
  599    H    SER  73           H        SER  73  -3.424 -15.477  -6.432
  600    HA   SER  73           HA       SER  73  -3.113 -18.348  -7.050
  601   1HB   SER  73          2HB       SER  73  -4.609 -17.161  -8.505
  602   2HB   SER  73          1HB       SER  73  -3.437 -15.873  -8.763
  603    HG   SER  73           HG       SER  73  -3.730 -18.194 -10.076
  604    H    GLY  74           H        GLY  74  -0.943 -18.085  -5.773
  605   1HA   GLY  74          2HA       GLY  74   1.213 -17.049  -7.552
  606   2HA   GLY  74          1HA       GLY  74   1.398 -17.397  -5.831
  607    H    SER  75           H        SER  75   2.204 -19.371  -5.271
  608    HA   SER  75           HA       SER  75   2.106 -21.566  -7.290
  609   1HB   SER  75          2HB       SER  75   4.505 -20.358  -5.961
  610   2HB   SER  75          1HB       SER  75   4.508 -22.083  -6.307
  611    HG   SER  75           HG       SER  75   4.654 -19.922  -8.004
  612    H    MET  76           H        MET  76   3.639 -21.239  -4.084
  613    HA   MET  76           HA       MET  76   1.617 -22.606  -2.603
  614   1HB   MET  76          2HB       MET  76   3.360 -24.301  -4.203
  615   2HB   MET  76          1HB       MET  76   3.561 -24.650  -2.487
  616   1HG   MET  76          2HG       MET  76   0.967 -24.656  -2.402
  617   2HG   MET  76          1HG       MET  76   1.056 -24.814  -4.155
  618   1HE   MET  76          3HE       MET  76   2.061 -26.331  -5.403
  619   2HE   MET  76          2HE       MET  76   3.578 -26.955  -4.757
  620   3HE   MET  76          1HE       MET  76   2.231 -28.055  -5.042
  621    H    LEU  77           H        LEU  77   5.126 -23.233  -2.564
  622    HA   LEU  77           HA       LEU  77   5.334 -22.446   0.222
  623   1HB   LEU  77          2HB       LEU  77   7.786 -22.771  -0.153
  624   2HB   LEU  77          1HB       LEU  77   6.824 -24.153  -0.674
  625    HG   LEU  77           HG       LEU  77   6.923 -22.444  -2.917
  626   1HD1  LEU  77          2HD1      LEU  77   8.785 -21.233  -1.844
  627   2HD1  LEU  77          1HD1      LEU  77   9.657 -22.754  -1.642
  628   3HD1  LEU  77          3HD1      LEU  77   9.342 -22.126  -3.260
  629   1HD2  LEU  77          2HD2      LEU  77   7.032 -25.016  -2.655
  630   2HD2  LEU  77          1HD2      LEU  77   7.963 -24.293  -3.966
  631   3HD2  LEU  77          3HD2      LEU  77   8.772 -24.792  -2.480
  632    H    SER  78           H        SER  78   5.465 -20.372   0.923
  633    HA   SER  78           HA       SER  78   6.616 -18.327  -0.938
  634   1HB   SER  78          2HB       SER  78   5.088 -16.695   0.136
  635   2HB   SER  78          1HB       SER  78   4.201 -18.000  -0.647
  636    HG   SER  78           HG       SER  78   4.019 -17.245   1.841
  637    H    ASN  79           H        ASN  79   5.982 -18.987   2.525
  638    HA   ASN  79           HA       ASN  79   7.278 -18.525   4.422
  639   1HB   ASN  79          2HB       ASN  79   9.574 -18.253   2.456
  640   2HB   ASN  79          1HB       ASN  79   9.692 -18.589   4.184
  641   1HD2  ASN  79          2HD2      ASN  79   8.006 -21.901   3.506
  642   2HD2  ASN  79          1HD2      ASN  79   7.521 -20.508   4.346
  643    H    ASN  80           H        ASN  80   5.827 -16.413   3.560
  644    HA   ASN  80           HA       ASN  80   5.667 -14.080   3.687
  645   1HB   ASN  80          2HB       ASN  80   8.148 -14.683   5.276
  646   2HB   ASN  80          1HB       ASN  80   7.697 -13.009   4.957
  647   1HD2  ASN  80          2HD2      ASN  80   5.061 -13.014   7.298
  648   2HD2  ASN  80          1HD2      ASN  80   5.982 -12.124   6.184
  649    H    ASP  81           H        ASP  81   5.816 -13.548   1.497
  650    HA   ASP  81           HA       ASP  81   8.557 -12.925   0.468
  651   1HB   ASP  81          2HB       ASP  81   6.969 -14.666  -0.703
  652   2HB   ASP  81          1HB       ASP  81   6.155 -13.226  -1.314
  653    H    SER  82           H        SER  82   8.406 -11.087  -1.269
  654    HA   SER  82           HA       SER  82   6.713  -8.911  -0.117
  655   1HB   SER  82          2HB       SER  82   9.142  -8.525   0.061
  656   2HB   SER  82          1HB       SER  82   9.307  -8.733  -1.680
  657    HG   SER  82           HG       SER  82   8.970  -6.647  -1.665
  658    H    ARG  83           H        ARG  83   5.052 -10.025  -1.607
  659    HA   ARG  83           HA       ARG  83   5.206  -8.743  -4.305
  660   1HB   ARG  83          2HB       ARG  83   4.203 -11.515  -3.595
  661   2HB   ARG  83          1HB       ARG  83   3.875 -10.732  -5.139
  662   1HG   ARG  83          2HG       ARG  83   6.702 -10.545  -4.520
  663   2HG   ARG  83          1HG       ARG  83   6.175 -12.224  -4.426
  664   1HD   ARG  83          2HD       ARG  83   4.916 -11.317  -6.724
  665   2HD   ARG  83          1HD       ARG  83   6.475 -10.495  -6.775
  666    HE   ARG  83           HE       ARG  83   7.553 -12.721  -6.672
  667   1HH1  ARG  83          1HH2      ARG  83   4.917 -12.333  -8.595
  668   2HH1  ARG  83          2HH2      ARG  83   4.481 -14.006  -8.693
  669   1HH2  ARG  83          1HH1      ARG  83   5.470 -15.513  -7.332
  670   2HH2  ARG  83          2HH1      ARG  83   6.667 -14.996  -6.192
  671    H    TRP  84           H        TRP  84   3.734  -7.112  -4.131
  672    HA   TRP  84           HA       TRP  84   1.129  -7.705  -2.781
  673   1HB   TRP  84          2HB       TRP  84   2.552  -5.068  -3.246
  674   2HB   TRP  84          1HB       TRP  84   0.947  -5.222  -2.538
  675    HD1  TRP  84           HD1      TRP  84   4.339  -6.994  -1.861
  676    HE1  TRP  84           HE1      TRP  84   4.732  -6.996   0.684
  677    HE3  TRP  84           HE3      TRP  84   0.140  -4.530  -0.316
  678    HZ2  TRP  84           HZ2      TRP  84   3.439  -6.076   3.064
  679    HZ3  TRP  84           HZ3      TRP  84  -0.251  -4.105   2.095
  680    HH2  TRP  84           HH2      TRP  84   1.391  -4.874   3.785
  681    H    GLU  85           H        GLU  85  -0.706  -7.584  -4.015
  682    HA   GLU  85           HA       GLU  85  -0.528  -6.200  -6.655
  683   1HB   GLU  85          2HB       GLU  85  -1.906  -8.034  -7.645
  684   2HB   GLU  85          1HB       GLU  85  -0.323  -8.596  -7.108
  685   1HG   GLU  85          2HG       GLU  85  -1.407  -9.291  -4.934
  686   2HG   GLU  85          1HG       GLU  85  -2.968  -8.934  -5.672
  687    H    PHE  86           H        PHE  86  -2.139  -4.715  -6.807
  688    HA   PHE  86           HA       PHE  86  -4.476  -4.989  -4.975
  689   1HB   PHE  86          2HB       PHE  86  -3.138  -2.613  -6.268
  690   2HB   PHE  86          1HB       PHE  86  -4.757  -2.497  -5.578
  691    HD1  PHE  86           HD2      PHE  86  -1.414  -3.947  -4.654
  692    HD2  PHE  86           HD1      PHE  86  -4.904  -1.802  -3.373
  693    HE1  PHE  86           HE2      PHE  86  -0.438  -3.717  -2.386
  694    HE2  PHE  86           HE1      PHE  86  -3.933  -1.573  -1.101
  695    HZ   PHE  86           HZ       PHE  86  -1.698  -2.529  -0.608
  696    H    GLU  87           H        GLU  87  -6.279  -5.732  -5.943
  697    HA   GLU  87           HA       GLU  87  -6.619  -5.431  -8.869
  698   1HB   GLU  87          2HB       GLU  87  -8.091  -7.007  -6.745
  699   2HB   GLU  87          1HB       GLU  87  -8.670  -6.887  -8.407
  700   1HG   GLU  87          2HG       GLU  87  -6.551  -7.821  -9.230
  701   2HG   GLU  87          1HG       GLU  87  -5.939  -7.913  -7.579
  702    H    ASN  88           H        ASN  88  -8.192  -4.123  -9.777
  703    HA   ASN  88           HA       ASN  88  -9.812  -2.476  -7.873
  704   1HB   ASN  88          2HB       ASN  88  -7.977  -1.397  -9.393
  705   2HB   ASN  88          1HB       ASN  88  -9.159  -1.620 -10.684
  706   1HD2  ASN  88          2HD2      ASN  88 -10.019   1.030  -7.656
  707   2HD2  ASN  88          1HD2      ASN  88  -8.891  -0.209  -7.377
  708    H    GLU  89           H        GLU  89 -11.986  -1.954  -8.550
  709    HA   GLU  89           HA       GLU  89 -13.119  -3.981 -10.427
  710   1HB   GLU  89          2HB       GLU  89 -13.862  -3.231  -7.827
  711   2HB   GLU  89          1HB       GLU  89 -15.076  -2.481  -8.862
  712   1HG   GLU  89          2HG       GLU  89 -15.926  -4.652  -8.406
  713   2HG   GLU  89          1HG       GLU  89 -15.246  -4.769 -10.029
  714    H    ARG  90           H        ARG  90 -12.803  -0.542  -9.822
  715    HA   ARG  90           HA       ARG  90 -13.366   1.315 -11.134
  716   1HB   ARG  90          2HB       ARG  90 -12.951  -0.911 -13.035
  717   2HB   ARG  90          1HB       ARG  90 -13.928   0.416 -13.665
  718   1HG   ARG  90          2HG       ARG  90 -12.204   1.985 -13.401
  719   2HG   ARG  90          1HG       ARG  90 -11.357   0.996 -12.211
  720   1HD   ARG  90          2HD       ARG  90 -10.131   0.026 -13.831
  721   2HD   ARG  90          1HD       ARG  90 -11.588  -0.468 -14.690
  722    HE   ARG  90           HE       ARG  90 -10.043   2.009 -15.189
  723   1HH1  ARG  90          1HH2      ARG  90 -12.387   3.234 -15.773
  724   2HH1  ARG  90          2HH2      ARG  90 -12.976   2.579 -17.265
  725   1HH2  ARG  90          2HH1      ARG  90 -10.966  -0.241 -17.127
  726   2HH2  ARG  90          1HH1      ARG  90 -12.172   0.613 -18.030
  727    H    HIS  91           H        HIS  91 -15.210   2.102 -12.711
  728    HA   HIS  91           HA       HIS  91 -17.764   0.853 -11.777
  729   1HB   HIS  91          2HB       HIS  91 -16.808   3.623 -11.829
  730   2HB   HIS  91          1HB       HIS  91 -18.370   3.445 -12.624
  731    HD1  HIS  91           HD1      HIS  91 -16.995   4.006  -9.379
  732    HD2  HIS  91           HD2      HIS  91 -20.194   1.751 -10.816
  733    HE1  HIS  91           HE1      HIS  91 -18.510   3.566  -7.397
  734    H    ALA  92           HN       ALA  92 -18.018  -0.530 -13.579
  735    HA   ALA  92           HA       ALA  92 -18.858   0.850 -16.063
  736   1HB   ALA  92          1HB       ALA  92 -16.739  -1.313 -15.941
  737   2HB   ALA  92          3HB       ALA  92 -17.551  -0.820 -17.427
  738   3HB   ALA  92          2HB       ALA  92 -16.544   0.331 -16.547
   
  No H/Q in entry =         738
  Start of MODEL          14
 Raw file had  756 H/Q atoms
  Start of MODEL   14
    1   1H    ALA   1          3H        ALA   1 -10.523  20.449  -2.471
    2   2H    ALA   1          2H        ALA   1 -11.684  21.150  -1.448
    3   3H    ALA   1          1H        ALA   1 -10.849  19.755  -0.959
    4    HA   ALA   1           HA       ALA   1 -13.014  19.080  -1.624
    5   1HB   ALA   1          2HB       ALA   1 -13.306  21.196  -3.047
    6   2HB   ALA   1          1HB       ALA   1 -12.460  20.321  -4.324
    7   3HB   ALA   1          3HB       ALA   1 -13.994  19.708  -3.701
    8    H    ARG   2           H        ARG   2 -13.456  17.374  -3.424
    9    HA   ARG   2           HA       ARG   2 -12.759  15.384  -4.444
   10   1HB   ARG   2          2HB       ARG   2 -10.554  17.294  -5.221
   11   2HB   ARG   2          1HB       ARG   2 -10.542  15.608  -5.742
   12   1HG   ARG   2          2HG       ARG   2 -12.922  17.428  -6.169
   13   2HG   ARG   2          1HG       ARG   2 -11.631  17.253  -7.359
   14   1HD   ARG   2          2HD       ARG   2 -12.715  14.703  -6.325
   15   2HD   ARG   2          1HD       ARG   2 -13.850  15.663  -7.274
   16    HE   ARG   2           HE       ARG   2 -11.423  15.611  -8.716
   17   1HH1  ARG   2          1HH2      ARG   2 -14.421  14.192  -8.629
   18   2HH1  ARG   2          2HH2      ARG   2 -13.966  12.724  -9.426
   19   1HH2  ARG   2          2HH1      ARG   2 -10.566  13.392  -9.289
   20   2HH2  ARG   2          1HH1      ARG   2 -11.784  12.271  -9.801
   21    HA   PRO   3           HA       PRO   3  -9.845  13.657  -1.663
   22   1HB   PRO   3          2HB       PRO   3  -9.254  11.245  -2.816
   23   2HB   PRO   3          1HB       PRO   3 -10.815  11.609  -2.061
   24   1HG   PRO   3          2HG       PRO   3 -10.140  11.381  -4.946
   25   2HG   PRO   3          1HG       PRO   3 -11.699  11.155  -4.134
   26   1HD   PRO   3          2HD       PRO   3 -10.880  13.449  -5.588
   27   2HD   PRO   3          1HD       PRO   3 -12.316  13.310  -4.557
   28    H    ALA   4           H        ALA   4  -7.847  14.574  -1.466
   29    HA   ALA   4           HA       ALA   4  -5.975  14.929  -3.598
   30   1HB   ALA   4          2HB       ALA   4  -5.930  15.206  -0.633
   31   2HB   ALA   4          1HB       ALA   4  -4.370  15.042  -1.438
   32   3HB   ALA   4          3HB       ALA   4  -5.454  16.362  -1.879
   33    H    PHE   5           H        PHE   5  -6.682  12.197  -1.556
   34    HA   PHE   5           HA       PHE   5  -4.122  10.879  -1.833
   35   1HB   PHE   5          2HB       PHE   5  -5.862  10.354  -0.067
   36   2HB   PHE   5          1HB       PHE   5  -6.809   9.566  -1.330
   37    HD1  PHE   5           HD2      PHE   5  -3.521   9.526   0.416
   38    HD2  PHE   5           HD1      PHE   5  -6.248   7.387  -2.122
   39    HE1  PHE   5           HE2      PHE   5  -2.136   7.483   0.651
   40    HE2  PHE   5           HE1      PHE   5  -4.861   5.343  -1.887
   41    HZ   PHE   5           HZ       PHE   5  -2.806   5.392  -0.500
   42    H    VAL   6           H        VAL   6  -7.262  10.546  -3.550
   43    HA   VAL   6           HA       VAL   6  -6.396   8.483  -5.336
   44    HB   VAL   6           HB       VAL   6  -8.447  10.650  -5.897
   45   1HG1  VAL   6          3HG1      VAL   6  -7.927   7.897  -7.055
   46   2HG1  VAL   6          2HG1      VAL   6  -9.421   8.794  -7.327
   47   3HG1  VAL   6          1HG1      VAL   6  -7.886   9.440  -7.907
   48   1HG2  VAL   6          3HG2      VAL   6  -8.459   8.249  -4.148
   49   2HG2  VAL   6          2HG2      VAL   6  -9.433   9.715  -4.051
   50   3HG2  VAL   6          1HG2      VAL   6  -9.870   8.442  -5.188
   51    H    ASN   7           H        ASN   7  -6.195  12.018  -5.492
   52    HA   ASN   7           HA       ASN   7  -5.146  12.132  -8.180
   53   1HB   ASN   7          2HB       ASN   7  -5.104  14.029  -5.830
   54   2HB   ASN   7          1HB       ASN   7  -4.253  14.408  -7.327
   55   1HD2  ASN   7          2HD2      ASN   7  -7.218  15.639  -8.751
   56   2HD2  ASN   7          1HD2      ASN   7  -5.543  15.802  -8.538
   57    H    LYS   8           H        LYS   8  -3.737  11.627  -5.003
   58    HA   LYS   8           HA       LYS   8  -0.980  11.995  -5.728
   59   1HB   LYS   8          2HB       LYS   8  -1.450  12.010  -3.401
   60   2HB   LYS   8          1HB       LYS   8  -2.431  10.558  -3.495
   61   1HG   LYS   8          2HG       LYS   8  -0.283   9.287  -4.059
   62   2HG   LYS   8          1HG       LYS   8   0.589  10.754  -3.641
   63   1HD   LYS   8          2HD       LYS   8  -0.675  10.693  -1.409
   64   2HD   LYS   8          1HD       LYS   8  -1.165   9.057  -1.854
   65   1HE   LYS   8          2HE       LYS   8   1.117   8.308  -1.936
   66   2HE   LYS   8          1HE       LYS   8   1.727   9.955  -1.800
   67   1HZ   LYS   8          2HZ       LYS   8   0.609  10.060   0.403
   68   2HZ   LYS   8          1HZ       LYS   8   0.280   8.398   0.268
   69   3HZ   LYS   8          3HZ       LYS   8   1.886   8.940   0.325
   70    H    LEU   9           H        LEU   9  -3.251   9.326  -6.017
   71    HA   LEU   9           HA       LEU   9  -1.374   7.240  -6.532
   72   1HB   LEU   9          2HB       LEU   9  -3.889   7.037  -6.068
   73   2HB   LEU   9          1HB       LEU   9  -4.120   7.410  -7.776
   74    HG   LEU   9           HG       LEU   9  -2.644   5.495  -8.368
   75   1HD1  LEU   9          1HD1      LEU   9  -2.361   5.446  -5.412
   76   2HD1  LEU   9          3HD1      LEU   9  -2.517   3.873  -6.197
   77   3HD1  LEU   9          2HD1      LEU   9  -1.212   4.966  -6.661
   78   1HD2  LEU   9          3HD2      LEU   9  -5.234   5.393  -7.880
   79   2HD2  LEU   9          2HD2      LEU   9  -4.332   3.900  -8.136
   80   3HD2  LEU   9          1HD2      LEU   9  -4.734   4.418  -6.499
   81    H    TRP  10           H        TRP  10  -3.348   9.050  -8.927
   82    HA   TRP  10           HA       TRP  10  -2.111   8.043 -11.244
   83   1HB   TRP  10          2HB       TRP  10  -2.989  10.921 -11.019
   84   2HB   TRP  10          1HB       TRP  10  -3.014   9.886 -12.441
   85    HD1  TRP  10           HD1      TRP  10  -5.560  11.416 -11.119
   86    HE1  TRP  10           HE1      TRP  10  -7.640  10.018 -10.524
   87    HE3  TRP  10           HE3      TRP  10  -3.473   6.744 -10.868
   88    HZ2  TRP  10           HZ2      TRP  10  -8.333   7.299 -10.013
   89    HZ3  TRP  10           HZ3      TRP  10  -4.872   4.780 -10.326
   90    HH2  TRP  10           HH2      TRP  10  -7.297   5.049  -9.897
   91    H    SER  11           H        SER  11  -0.718  10.248  -8.936
   92    HA   SER  11           HA       SER  11   1.248  11.304 -10.844
   93   1HB   SER  11          2HB       SER  11   0.214  12.187  -8.421
   94   2HB   SER  11          1HB       SER  11   1.861  11.715  -8.016
   95    HG   SER  11           HG       SER  11   2.574  13.340  -9.141
   96    H    MET  12           H        MET  12   1.178   8.793  -8.339
   97    HA   MET  12           HA       MET  12   4.097   8.395  -8.590
   98   1HB   MET  12          2HB       MET  12   2.139   6.783  -6.945
   99   2HB   MET  12          1HB       MET  12   3.892   6.846  -6.766
  100   1HG   MET  12          2HG       MET  12   3.448   9.438  -6.459
  101   2HG   MET  12          1HG       MET  12   1.836   8.889  -6.005
  102   1HE   MET  12          1HE       MET  12   1.490   6.839  -4.283
  103   2HE   MET  12          3HE       MET  12   2.817   5.919  -5.003
  104   3HE   MET  12          2HE       MET  12   2.767   6.186  -3.262
  105    H    VAL  13           H        VAL  13   1.185   6.933  -9.868
  106    HA   VAL  13           HA       VAL  13   2.625   4.442 -10.495
  107    HB   VAL  13           HB       VAL  13  -0.019   4.655 -11.751
  108   1HG1  VAL  13          3HG1      VAL  13   1.415   2.788  -9.866
  109   2HG1  VAL  13          2HG1      VAL  13  -0.270   2.531 -10.321
  110   3HG1  VAL  13          1HG1      VAL  13   0.989   2.526 -11.556
  111   1HG2  VAL  13          1HG2      VAL  13   0.253   5.412  -8.878
  112   2HG2  VAL  13          3HG2      VAL  13  -1.033   5.780 -10.028
  113   3HG2  VAL  13          2HG2      VAL  13  -0.970   4.202  -9.250
  114    H    ASN  14           H        ASN  14   1.923   7.422 -12.137
  115    HA   ASN  14           HA       ASN  14   1.809   6.518 -14.822
  116   1HB   ASN  14          2HB       ASN  14   3.024   8.750 -15.358
  117   2HB   ASN  14          1HB       ASN  14   1.433   8.820 -14.607
  118   1HD2  ASN  14          2HD2      ASN  14   4.676  10.233 -12.609
  119   2HD2  ASN  14          1HD2      ASN  14   4.838   9.512 -14.136
  120    H    ASP  15           H        ASP  15   4.484   6.512 -12.611
  121    HA   ASP  15           HA       ASP  15   6.665   5.715 -12.831
  122   1HB   ASP  15          2HB       ASP  15   5.382   4.352 -15.212
  123   2HB   ASP  15          1HB       ASP  15   6.991   3.971 -14.597
  124    H    LYS  16           H        LYS  16   6.369   8.308 -13.822
  125    HA   LYS  16           HA       LYS  16   7.767   8.356 -16.441
  126   1HB   LYS  16          2HB       LYS  16   5.886   9.992 -15.851
  127   2HB   LYS  16          1HB       LYS  16   7.021  10.742 -14.728
  128   1HG   LYS  16          2HG       LYS  16   8.583  11.201 -16.540
  129   2HG   LYS  16          1HG       LYS  16   7.556  10.337 -17.684
  130   1HD   LYS  16          2HD       LYS  16   6.083  12.068 -17.874
  131   2HD   LYS  16          1HD       LYS  16   6.209  12.494 -16.166
  132   1HE   LYS  16          2HE       LYS  16   7.164  14.271 -17.589
  133   2HE   LYS  16          1HE       LYS  16   8.410  13.530 -16.585
  134   1HZ   LYS  16          1HZ       LYS  16   7.841  12.693 -19.372
  135   2HZ   LYS  16          3HZ       LYS  16   9.028  13.835 -18.964
  136   3HZ   LYS  16          2HZ       LYS  16   9.161  12.236 -18.404
  137    H    SER  17           H        SER  17   8.220   9.482 -13.098
  138    HA   SER  17           HA       SER  17  11.146   9.729 -13.618
  139   1HB   SER  17          2HB       SER  17   9.894  10.600 -11.045
  140   2HB   SER  17          1HB       SER  17  11.237  11.313 -11.932
  141    HG   SER  17           HG       SER  17   9.841  12.298 -13.273
  142    H    ASN  18           H        ASN  18   8.708   8.027 -11.748
  143    HA   ASN  18           HA       ASN  18  10.792   6.591 -10.195
  144   1HB   ASN  18          2HB       ASN  18   7.784   6.248 -10.036
  145   2HB   ASN  18          1HB       ASN  18   8.985   5.735  -8.852
  146   1HD2  ASN  18          2HD2      ASN  18   7.409   9.104  -7.945
  147   2HD2  ASN  18          1HD2      ASN  18   6.699   7.656  -8.473
  148    H    GLU  19           H        GLU  19  10.223   6.239 -13.186
  149    HA   GLU  19           HA       GLU  19   8.932   3.744 -13.669
  150   1HB   GLU  19          2HB       GLU  19   9.598   5.381 -15.442
  151   2HB   GLU  19          1HB       GLU  19  11.278   4.938 -15.181
  152   1HG   GLU  19          2HG       GLU  19  11.034   2.866 -16.161
  153   2HG   GLU  19          1HG       GLU  19   9.342   2.725 -15.686
  154    H    LYS  20           H        LYS  20   9.616   2.287 -12.019
  155    HA   LYS  20           HA       LYS  20  11.751   0.535 -12.611
  156   1HB   LYS  20          2HB       LYS  20  12.997   2.729 -11.786
  157   2HB   LYS  20          1HB       LYS  20  12.510   2.158 -10.197
  158   1HG   LYS  20          2HG       LYS  20  13.504  -0.120 -10.956
  159   2HG   LYS  20          1HG       LYS  20  14.331   0.832 -12.191
  160   1HD   LYS  20          2HD       LYS  20  15.398   2.208 -10.518
  161   2HD   LYS  20          1HD       LYS  20  14.432   1.486  -9.234
  162   1HE   LYS  20          2HE       LYS  20  15.656  -0.696 -10.501
  163   2HE   LYS  20          1HE       LYS  20  16.913   0.538 -10.418
  164   1HZ   LYS  20          1HZ       LYS  20  15.239   0.018  -8.059
  165   2HZ   LYS  20          3HZ       LYS  20  16.514  -1.041  -8.420
  166   3HZ   LYS  20          2HZ       LYS  20  16.830   0.605  -8.143
  167    H    PHE  21           H        PHE  21   9.771   2.050 -10.095
  168    HA   PHE  21           HA       PHE  21   9.825  -0.479  -8.549
  169   1HB   PHE  21          2HB       PHE  21   8.707   2.232  -7.802
  170   2HB   PHE  21          1HB       PHE  21   8.872   0.846  -6.726
  171    HD1  PHE  21           HD1      PHE  21  11.191  -0.061  -6.243
  172    HD2  PHE  21           HD2      PHE  21  10.534   3.664  -8.275
  173    HE1  PHE  21           HE1      PHE  21  13.530   0.613  -5.763
  174    HE2  PHE  21           HE2      PHE  21  12.872   4.340  -7.795
  175    HZ   PHE  21           HZ       PHE  21  14.370   2.814  -6.538
  176    H    ILE  22           H        ILE  22   7.024   1.713  -8.495
  177    HA   ILE  22           HA       ILE  22   5.220  -0.528  -8.740
  178    HB   ILE  22           HB       ILE  22   4.717   1.483  -7.385
  179   1HG1  ILE  22          2HG1      ILE  22   2.707   1.216  -9.635
  180   2HG1  ILE  22          1HG1      ILE  22   2.915  -0.016  -8.388
  181   1HG2  ILE  22          2HG2      ILE  22   5.709   3.004  -9.286
  182   2HG2  ILE  22          1HG2      ILE  22   4.059   2.973  -9.908
  183   3HG2  ILE  22          3HG2      ILE  22   4.381   3.604  -8.293
  184   1HD1  ILE  22          1HD1      ILE  22   2.336   2.898  -7.792
  185   2HD1  ILE  22          3HD1      ILE  22   1.093   1.650  -7.884
  186   3HD1  ILE  22          2HD1      ILE  22   2.343   1.559  -6.644
  187    H    HIS  23           H        HIS  23   3.494  -0.685 -10.350
  188    HA   HIS  23           HA       HIS  23   3.592   0.689 -12.870
  189   1HB   HIS  23          2HB       HIS  23   4.364  -1.234 -14.261
  190   2HB   HIS  23          1HB       HIS  23   5.638  -0.616 -13.211
  191    HD1  HIS  23           HD1      HIS  23   4.649  -3.712 -14.335
  192    HD2  HIS  23           HD2      HIS  23   5.122  -2.230 -10.467
  193    HE1  HIS  23           HE1      HIS  23   4.921  -5.725 -12.823
  194    H    TRP  24           H        TRP  24   1.771   0.102 -14.150
  195    HA   TRP  24           HA       TRP  24  -0.442  -1.052 -12.758
  196   1HB   TRP  24          2HB       TRP  24  -0.023  -0.582 -15.725
  197   2HB   TRP  24          1HB       TRP  24  -1.566  -1.020 -14.995
  198    HD1  TRP  24           HD1      TRP  24   1.015   1.812 -15.067
  199    HE1  TRP  24           HE1      TRP  24  -0.121   3.983 -14.262
  200    HE3  TRP  24           HE3      TRP  24  -3.521  -0.046 -13.633
  201    HZ2  TRP  24           HZ2      TRP  24  -2.626   4.820 -13.158
  202    HZ3  TRP  24           HZ3      TRP  24  -5.261   1.458 -12.712
  203    HH2  TRP  24           HH2      TRP  24  -4.821   3.886 -12.472
  204    H    SER  25           H        SER  25  -1.720  -2.962 -13.800
  205    HA   SER  25           HA       SER  25   0.129  -5.268 -13.911
  206   1HB   SER  25          2HB       SER  25  -1.934  -5.275 -12.446
  207   2HB   SER  25          1HB       SER  25  -2.905  -5.278 -13.916
  208    HG   SER  25           HG       SER  25  -2.289  -7.381 -12.866
  209    H    THR  26           H        THR  26   0.603  -3.970 -16.148
  210    HA   THR  26           HA       THR  26   0.611  -4.139 -18.481
  211    HB   THR  26           HB       THR  26  -0.976  -6.687 -18.175
  212    HG1  THR  26           HG1      THR  26   1.768  -6.218 -17.657
  213   1HG2  THR  26          2HG2      THR  26   0.900  -5.469 -20.156
  214   2HG2  THR  26          1HG2      THR  26   0.897  -7.224 -19.988
  215   3HG2  THR  26          3HG2      THR  26  -0.586  -6.379 -20.431
  216    H    SER  27           H        SER  27  -0.706  -2.504 -19.196
  217    HA   SER  27           HA       SER  27  -2.589  -1.507 -20.168
  218   1HB   SER  27          2HB       SER  27  -4.091  -4.103 -20.013
  219   2HB   SER  27          1HB       SER  27  -4.150  -2.858 -21.257
  220    HG   SER  27           HG       SER  27  -1.927  -3.465 -21.719
  221    H    GLY  28           H        GLY  28  -2.264  -1.887 -17.180
  222   1HA   GLY  28          2HA       GLY  28  -3.547  -0.880 -15.440
  223   2HA   GLY  28          1HA       GLY  28  -4.968  -0.949 -16.479
  224    H    GLU  29           H        GLU  29  -6.422  -2.057 -15.272
  225    HA   GLU  29           HA       GLU  29  -7.511  -3.998 -14.503
  226   1HB   GLU  29          2HB       GLU  29  -4.864  -5.464 -14.451
  227   2HB   GLU  29          1HB       GLU  29  -6.486  -6.148 -14.480
  228   1HG   GLU  29          2HG       GLU  29  -6.154  -4.397 -16.755
  229   2HG   GLU  29          1HG       GLU  29  -4.824  -5.551 -16.706
  230    H    SER  30           H        SER  30  -4.227  -4.059 -13.038
  231    HA   SER  30           HA       SER  30  -5.348  -3.102 -10.491
  232   1HB   SER  30          2HB       SER  30  -3.819  -5.656 -10.277
  233   2HB   SER  30          1HB       SER  30  -5.093  -5.022  -9.239
  234    HG   SER  30           HG       SER  30  -6.533  -5.967 -10.453
  235    H    ILE  31           H        ILE  31  -3.468  -3.007  -8.812
  236    HA   ILE  31           HA       ILE  31  -1.062  -2.030 -10.265
  237    HB   ILE  31           HB       ILE  31  -1.785  -1.669  -7.342
  238   1HG1  ILE  31          2HG1      ILE  31  -2.070   0.408  -9.517
  239   2HG1  ILE  31          1HG1      ILE  31  -3.395  -0.691  -9.132
  240   1HG2  ILE  31          3HG2      ILE  31   0.637  -1.415  -8.100
  241   2HG2  ILE  31          2HG2      ILE  31   0.093  -0.062  -9.093
  242   3HG2  ILE  31          1HG2      ILE  31  -0.070   0.011  -7.339
  243   1HD1  ILE  31          1HD1      ILE  31  -1.994   1.029  -7.068
  244   2HD1  ILE  31          3HD1      ILE  31  -3.480   1.505  -7.891
  245   3HD1  ILE  31          2HD1      ILE  31  -3.467   0.084  -6.846
  246    H    VAL  32           H        VAL  32   0.921  -2.996 -10.010
  247    HA   VAL  32           HA       VAL  32   1.072  -5.296  -8.097
  248    HB   VAL  32           HB       VAL  32   2.396  -5.065 -10.817
  249   1HG1  VAL  32          2HG1      VAL  32   2.594  -6.967  -8.544
  250   2HG1  VAL  32          1HG1      VAL  32   2.488  -7.687 -10.151
  251   3HG1  VAL  32          3HG1      VAL  32   3.788  -6.556  -9.774
  252   1HG2  VAL  32          2HG2      VAL  32  -0.114  -6.422  -9.842
  253   2HG2  VAL  32          1HG2      VAL  32   0.115  -5.427 -11.281
  254   3HG2  VAL  32          3HG2      VAL  32   0.773  -7.062 -11.227
  255    H    VAL  33           H        VAL  33   2.585  -4.955  -6.560
  256    HA   VAL  33           HA       VAL  33   4.738  -2.964  -7.094
  257    HB   VAL  33           HB       VAL  33   3.994  -4.187  -4.426
  258   1HG1  VAL  33          2HG1      VAL  33   5.749  -1.961  -5.400
  259   2HG1  VAL  33          1HG1      VAL  33   4.982  -1.805  -3.820
  260   3HG1  VAL  33          3HG1      VAL  33   6.058  -3.163  -4.146
  261   1HG2  VAL  33          3HG2      VAL  33   2.976  -1.628  -5.711
  262   2HG2  VAL  33          2HG2      VAL  33   2.011  -3.058  -5.345
  263   3HG2  VAL  33          1HG2      VAL  33   2.697  -2.099  -4.035
  264    HA   PRO  34           HA       PRO  34   7.096  -6.790  -7.259
  265   1HB   PRO  34          2HB       PRO  34   9.226  -5.816  -8.691
  266   2HB   PRO  34          1HB       PRO  34   7.735  -6.418  -9.437
  267   1HG   PRO  34          2HG       PRO  34   8.673  -3.616  -9.120
  268   2HG   PRO  34          1HG       PRO  34   7.569  -4.302 -10.325
  269   1HD   PRO  34          2HD       PRO  34   6.823  -2.806  -8.041
  270   2HD   PRO  34          1HD       PRO  34   5.739  -3.744  -9.082
  271    H    ASN  35           H        ASN  35   8.084  -3.563  -6.270
  272    HA   ASN  35           HA       ASN  35   9.771  -4.774  -4.158
  273   1HB   ASN  35          2HB       ASN  35  11.574  -3.035  -4.644
  274   2HB   ASN  35          1HB       ASN  35  11.458  -4.361  -5.799
  275   1HD2  ASN  35          2HD2      ASN  35  11.448  -1.763  -8.238
  276   2HD2  ASN  35          1HD2      ASN  35  12.380  -2.981  -7.509
  277    H    ARG  36           H        ARG  36   7.878  -4.002  -2.929
  278    HA   ARG  36           HA       ARG  36   7.287  -1.161  -2.756
  279   1HB   ARG  36          2HB       ARG  36   5.680  -3.033  -2.179
  280   2HB   ARG  36          1HB       ARG  36   6.639  -3.314  -0.728
  281   1HG   ARG  36          2HG       ARG  36   6.290  -0.889  -0.124
  282   2HG   ARG  36          1HG       ARG  36   5.156  -0.780  -1.471
  283   1HD   ARG  36          2HD       ARG  36   4.614  -3.091   0.240
  284   2HD   ARG  36          1HD       ARG  36   4.530  -1.569   1.124
  285    HE   ARG  36           HE       ARG  36   2.830  -2.290  -1.211
  286   1HH1  ARG  36          2HH1      ARG  36   3.601   0.673  -0.801
  287   2HH1  ARG  36          1HH1      ARG  36   2.218   1.239   0.074
  288   1HH2  ARG  36          1HH2      ARG  36   1.085  -1.943   0.865
  289   2HH2  ARG  36          2HH2      ARG  36   0.793  -0.242   1.018
  290    H    GLU  37           H        GLU  37   9.535  -3.326  -1.183
  291    HA   GLU  37           HA       GLU  37  10.015  -1.861   1.206
  292   1HB   GLU  37          2HB       GLU  37  10.851  -4.181   0.685
  293   2HB   GLU  37          1HB       GLU  37  12.059  -3.450  -0.373
  294   1HG   GLU  37          2HG       GLU  37  13.186  -2.424   1.411
  295   2HG   GLU  37          1HG       GLU  37  11.789  -2.533   2.482
  296    H    ARG  38           H        ARG  38  11.773  -1.698  -1.923
  297    HA   ARG  38           HA       ARG  38  13.348   0.589  -0.999
  298   1HB   ARG  38          2HB       ARG  38  13.263  -1.153  -3.384
  299   2HB   ARG  38          1HB       ARG  38  13.725   0.514  -3.715
  300   1HG   ARG  38          2HG       ARG  38  15.045  -0.529  -1.320
  301   2HG   ARG  38          1HG       ARG  38  15.405  -1.498  -2.747
  302   1HD   ARG  38          2HD       ARG  38  15.792   0.832  -3.897
  303   2HD   ARG  38          1HD       ARG  38  15.988   1.406  -2.240
  304    HE   ARG  38           HE       ARG  38  17.822  -0.393  -3.674
  305   1HH1  ARG  38          2HH1      ARG  38  17.845  -1.883  -1.317
  306   2HH1  ARG  38          1HH1      ARG  38  18.811  -0.989  -0.191
  307   1HH2  ARG  38          1HH2      ARG  38  18.586   1.988  -1.951
  308   2HH2  ARG  38          2HH2      ARG  38  19.229   1.200  -0.550
  309    H    PHE  39           H        PHE  39  10.410   0.101  -2.856
  310    HA   PHE  39           HA       PHE  39  10.241   2.628  -4.153
  311   1HB   PHE  39          2HB       PHE  39   8.685   0.911  -4.771
  312   2HB   PHE  39          1HB       PHE  39   8.126   0.722  -3.115
  313    HD1  PHE  39           HD1      PHE  39   8.066   2.969  -6.081
  314    HD2  PHE  39           HD2      PHE  39   6.481   2.184  -2.164
  315    HE1  PHE  39           HE1      PHE  39   6.280   4.643  -6.470
  316    HE2  PHE  39           HE2      PHE  39   4.690   3.855  -2.559
  317    HZ   PHE  39           HZ       PHE  39   4.593   5.086  -4.708
  318    H    VAL  40           H        VAL  40   8.617   1.675  -1.111
  319    HA   VAL  40           HA       VAL  40   7.685   4.223  -0.369
  320    HB   VAL  40           HB       VAL  40   8.639   2.032   1.505
  321   1HG1  VAL  40          1HG1      VAL  40   8.000   4.459   2.320
  322   2HG1  VAL  40          3HG1      VAL  40   6.353   3.905   2.028
  323   3HG1  VAL  40          2HG1      VAL  40   7.379   3.051   3.179
  324   1HG2  VAL  40          2HG2      VAL  40   5.960   2.470   0.148
  325   2HG2  VAL  40          1HG2      VAL  40   7.053   1.115  -0.112
  326   3HG2  VAL  40          3HG2      VAL  40   6.246   1.307   1.441
  327    H    GLN  41           H        GLN  41  10.742   2.651   0.555
  328    HA   GLN  41           HA       GLN  41  11.720   4.802   2.160
  329   1HB   GLN  41          2HB       GLN  41  12.541   2.378   2.043
  330   2HB   GLN  41          1HB       GLN  41  13.491   2.898   0.650
  331   1HG   GLN  41          2HG       GLN  41  15.032   3.402   2.263
  332   2HG   GLN  41          1HG       GLN  41  14.099   4.891   2.374
  333   1HE2  GLN  41          2HE2      GLN  41  13.521   4.233   5.781
  334   2HE2  GLN  41          1HE2      GLN  41  14.003   5.346   4.593
  335    H    GLU  42           H        GLU  42  11.673   4.458  -1.326
  336    HA   GLU  42           HA       GLU  42  13.344   6.936  -1.468
  337   1HB   GLU  42          2HB       GLU  42  13.420   4.587  -3.381
  338   2HB   GLU  42          1HB       GLU  42  14.317   6.093  -3.577
  339   1HG   GLU  42          2HG       GLU  42  14.564   4.402  -1.086
  340   2HG   GLU  42          1HG       GLU  42  15.588   4.140  -2.499
  341    H    VAL  43           H        VAL  43  10.335   6.500  -1.570
  342    HA   VAL  43           HA       VAL  43   9.920   8.191  -3.945
  343    HB   VAL  43           HB       VAL  43   8.409   5.568  -3.684
  344   1HG1  VAL  43          2HG1      VAL  43   8.118   8.021  -5.357
  345   2HG1  VAL  43          1HG1      VAL  43   7.889   6.472  -6.170
  346   3HG1  VAL  43          3HG1      VAL  43   6.884   6.899  -4.784
  347   1HG2  VAL  43          2HG2      VAL  43  10.585   6.489  -5.590
  348   2HG2  VAL  43          1HG2      VAL  43  10.664   5.133  -4.466
  349   3HG2  VAL  43          3HG2      VAL  43   9.586   5.061  -5.859
  350    H    LEU  44           H        LEU  44   8.442   6.576  -1.111
  351    HA   LEU  44           HA       LEU  44   6.014   8.091  -1.193
  352   1HB   LEU  44          2HB       LEU  44   6.374   6.000   0.154
  353   2HB   LEU  44          1HB       LEU  44   7.316   6.963   1.291
  354    HG   LEU  44           HG       LEU  44   5.370   8.445   1.654
  355   1HD1  LEU  44          1HD1      LEU  44   4.322   6.882  -0.620
  356   2HD1  LEU  44          3HD1      LEU  44   3.170   7.095   0.698
  357   3HD1  LEU  44          2HD1      LEU  44   3.893   8.505  -0.077
  358   1HD2  LEU  44          1HD2      LEU  44   5.779   6.009   2.738
  359   2HD2  LEU  44          3HD2      LEU  44   4.422   7.039   3.196
  360   3HD2  LEU  44          2HD2      LEU  44   4.188   5.742   2.024
  361    HA   PRO  45           HA       PRO  45   7.989  11.030   1.971
  362   1HB   PRO  45          2HB       PRO  45  10.720  11.310   1.964
  363   2HB   PRO  45          1HB       PRO  45   9.838  10.268   3.094
  364   1HG   PRO  45          2HG       PRO  45  11.436   9.512   0.696
  365   2HG   PRO  45          1HG       PRO  45  11.130   8.592   2.179
  366   1HD   PRO  45          2HD       PRO  45   9.848   8.177  -0.274
  367   2HD   PRO  45          1HD       PRO  45   9.272   7.591   1.296
  368    H    LYS  46           H        LYS  46   9.339  10.447  -1.204
  369    HA   LYS  46           HA       LYS  46  10.254  13.081  -1.827
  370   1HB   LYS  46          2HB       LYS  46  10.294  10.743  -3.168
  371   2HB   LYS  46          1HB       LYS  46   8.917  11.498  -3.968
  372   1HG   LYS  46          2HG       LYS  46  10.490  12.489  -5.275
  373   2HG   LYS  46          1HG       LYS  46  10.698  13.580  -3.908
  374   1HD   LYS  46          2HD       LYS  46  12.215  11.096  -3.575
  375   2HD   LYS  46          1HD       LYS  46  12.676  11.965  -5.036
  376   1HE   LYS  46          2HE       LYS  46  13.908  13.352  -3.762
  377   2HE   LYS  46          1HE       LYS  46  12.422  13.928  -3.007
  378   1HZ   LYS  46          1HZ       LYS  46  13.828  11.470  -2.134
  379   2HZ   LYS  46          3HZ       LYS  46  14.130  12.995  -1.456
  380   3HZ   LYS  46          2HZ       LYS  46  12.585  12.302  -1.326
  381    H    TYR  47           H        TYR  47   7.045  11.704  -1.622
  382    HA   TYR  47           HA       TYR  47   5.868  14.181  -2.789
  383   1HB   TYR  47          2HB       TYR  47   4.687  11.450  -2.201
  384   2HB   TYR  47          1HB       TYR  47   3.735  12.828  -2.753
  385    HD1  TYR  47           HD2      TYR  47   6.829  10.896  -3.651
  386    HD2  TYR  47           HD1      TYR  47   3.467  13.178  -5.048
  387    HE1  TYR  47           HE2      TYR  47   7.472  10.409  -5.993
  388    HE2  TYR  47           HE1      TYR  47   4.111  12.687  -7.392
  389    HH   TYR  47           HH       TYR  47   5.780  10.415  -8.402
  390    H    PHE  48           H        PHE  48   5.030  11.929  -0.121
  391    HA   PHE  48           HA       PHE  48   4.105  14.288   1.449
  392   1HB   PHE  48          2HB       PHE  48   3.517  11.334   1.800
  393   2HB   PHE  48          1HB       PHE  48   2.876  12.624   2.820
  394    HD1  PHE  48           HD2      PHE  48   3.133  11.605  -0.772
  395    HD2  PHE  48           HD1      PHE  48   0.845  13.653   2.235
  396    HE1  PHE  48           HE2      PHE  48   1.328  12.018  -2.415
  397    HE2  PHE  48           HE1      PHE  48  -0.972  14.044   0.585
  398    HZ   PHE  48           HZ       PHE  48  -0.726  13.229  -1.741
  399    H    LYS  49           H        LYS  49   4.272  13.433   3.995
  400    HA   LYS  49           HA       LYS  49   7.040  12.454   4.452
  401   1HB   LYS  49          2HB       LYS  49   5.925  15.127   5.306
  402   2HB   LYS  49          1HB       LYS  49   7.244  14.360   6.193
  403   1HG   LYS  49          2HG       LYS  49   8.605  14.270   4.171
  404   2HG   LYS  49          1HG       LYS  49   7.275  14.924   3.214
  405   1HD   LYS  49          2HD       LYS  49   7.405  16.850   5.068
  406   2HD   LYS  49          1HD       LYS  49   9.081  16.306   5.142
  407   1HE   LYS  49          2HE       LYS  49   9.415  17.679   3.367
  408   2HE   LYS  49          1HE       LYS  49   8.620  16.424   2.420
  409   1HZ   LYS  49          1HZ       LYS  49   6.483  17.631   3.246
  410   2HZ   LYS  49          3HZ       LYS  49   7.532  18.948   3.448
  411   3HZ   LYS  49          2HZ       LYS  49   7.347  18.237   1.916
  412    H    HIS  50           H        HIS  50   7.325  11.541   6.549
  413    HA   HIS  50           HA       HIS  50   6.626  10.322   8.425
  414   1HB   HIS  50          2HB       HIS  50   4.744  12.682   8.478
  415   2HB   HIS  50          1HB       HIS  50   4.659  11.408   9.693
  416    HD1  HIS  50           HD1      HIS  50   5.599  12.750  11.654
  417    HD2  HIS  50           HD2      HIS  50   8.114  12.764   8.331
  418    HE1  HIS  50           HE1      HIS  50   7.793  13.755  12.421
  419    H    SER  51           H        SER  51   5.434   9.796   5.701
  420    HA   SER  51           HA       SER  51   2.831   8.589   6.528
  421   1HB   SER  51          2HB       SER  51   3.973   9.332   3.823
  422   2HB   SER  51          1HB       SER  51   2.542   8.320   3.998
  423    HG   SER  51           HG       SER  51   2.077  10.579   3.789
  424    H    ASN  52           H        ASN  52   2.515   6.329   6.207
  425    HA   ASN  52           HA       ASN  52   4.907   4.801   5.287
  426   1HB   ASN  52          2HB       ASN  52   3.384   4.471   7.870
  427   2HB   ASN  52          1HB       ASN  52   4.321   3.147   7.174
  428   1HD2  ASN  52          2HD2      ASN  52   7.458   5.035   7.532
  429   2HD2  ASN  52          1HD2      ASN  52   6.650   4.147   6.332
  430    H    PHE  53           H        PHE  53   4.264   2.371   5.130
  431    HA   PHE  53           HA       PHE  53   2.291   2.072   3.123
  432   1HB   PHE  53          2HB       PHE  53   2.474  -0.403   3.678
  433   2HB   PHE  53          1HB       PHE  53   3.993   0.399   3.290
  434    HD1  PHE  53           HD2      PHE  53   1.834  -0.710   6.126
  435    HD2  PHE  53           HD1      PHE  53   5.768   0.467   4.866
  436    HE1  PHE  53           HE2      PHE  53   2.744  -1.389   8.331
  437    HE2  PHE  53           HE1      PHE  53   6.678  -0.212   7.071
  438    HZ   PHE  53           HZ       PHE  53   5.165  -1.140   8.804
  439    H    ALA  54           H        ALA  54   2.012   1.923   6.607
  440    HA   ALA  54           HA       ALA  54  -0.465   0.521   6.796
  441   1HB   ALA  54          2HB       ALA  54   0.822   2.611   8.562
  442   2HB   ALA  54          1HB       ALA  54  -0.694   1.817   8.983
  443   3HB   ALA  54          3HB       ALA  54   0.779   0.865   8.807
  444    H    SER  55           H        SER  55   0.234   3.983   6.341
  445    HA   SER  55           HA       SER  55  -2.563   4.761   6.472
  446   1HB   SER  55          2HB       SER  55   0.020   6.104   5.860
  447   2HB   SER  55          1HB       SER  55  -1.432   6.843   5.193
  448    HG   SER  55           HG       SER  55  -0.527   6.810   7.736
  449    H    PHE  56           H        PHE  56  -0.305   3.957   3.859
  450    HA   PHE  56           HA       PHE  56  -2.091   4.786   1.731
  451   1HB   PHE  56          2HB       PHE  56   0.501   4.310   1.717
  452   2HB   PHE  56          1HB       PHE  56  -0.014   2.669   1.325
  453    HD1  PHE  56           HD2      PHE  56  -1.415   2.247  -0.672
  454    HD2  PHE  56           HD1      PHE  56   0.288   6.100   0.110
  455    HE1  PHE  56           HE2      PHE  56  -1.834   2.902  -3.029
  456    HE2  PHE  56           HE1      PHE  56  -0.127   6.763  -2.246
  457    HZ   PHE  56           HZ       PHE  56  -1.189   5.163  -3.815
  458    H    VAL  57           H        VAL  57  -1.830   1.876   3.644
  459    HA   VAL  57           HA       VAL  57  -3.356   0.234   1.757
  460    HB   VAL  57           HB       VAL  57  -2.669  -0.283   4.668
  461   1HG1  VAL  57          3HG1      VAL  57  -4.008  -1.855   2.513
  462   2HG1  VAL  57          2HG1      VAL  57  -2.874  -2.718   3.551
  463   3HG1  VAL  57          1HG1      VAL  57  -4.264  -1.895   4.258
  464   1HG2  VAL  57          2HG2      VAL  57  -0.868   0.027   2.655
  465   2HG2  VAL  57          1HG2      VAL  57  -0.632  -1.091   3.998
  466   3HG2  VAL  57          3HG2      VAL  57  -1.259  -1.681   2.459
  467    H    ARG  58           H        ARG  58  -3.988   1.847   4.880
  468    HA   ARG  58           HA       ARG  58  -6.726   1.010   5.079
  469   1HB   ARG  58          2HB       ARG  58  -5.017   2.324   6.744
  470   2HB   ARG  58          1HB       ARG  58  -6.021   3.666   6.196
  471   1HG   ARG  58          2HG       ARG  58  -7.912   1.736   6.692
  472   2HG   ARG  58          1HG       ARG  58  -6.715   1.383   7.937
  473   1HD   ARG  58          2HD       ARG  58  -6.849   3.596   8.830
  474   2HD   ARG  58          1HD       ARG  58  -7.760   4.175   7.435
  475    HE   ARG  58           HE       ARG  58  -8.848   2.598   9.677
  476   1HH1  ARG  58          2HH1      ARG  58 -10.570   1.228   8.353
  477   2HH1  ARG  58          1HH1      ARG  58 -11.691   2.260   7.531
  478   1HH2  ARG  58          1HH2      ARG  58  -9.704   5.085   7.813
  479   2HH2  ARG  58          2HH2      ARG  58 -11.200   4.444   7.223
  480    H    GLN  59           H        GLN  59  -5.134   3.703   3.452
  481    HA   GLN  59           HA       GLN  59  -7.542   5.167   2.824
  482   1HB   GLN  59          2HB       GLN  59  -4.781   5.132   1.575
  483   2HB   GLN  59          1HB       GLN  59  -6.070   6.198   1.018
  484   1HG   GLN  59          2HG       GLN  59  -5.139   6.101   3.896
  485   2HG   GLN  59          1HG       GLN  59  -4.483   7.227   2.709
  486   1HE2  GLN  59          2HE2      GLN  59  -7.353   9.319   2.702
  487   2HE2  GLN  59          1HE2      GLN  59  -5.887   8.950   1.930
  488    H    LEU  60           H        LEU  60  -5.590   2.773   1.026
  489    HA   LEU  60           HA       LEU  60  -7.142   2.788  -1.370
  490   1HB   LEU  60          2HB       LEU  60  -5.474   0.628  -0.068
  491   2HB   LEU  60          1HB       LEU  60  -6.201   0.445  -1.657
  492    HG   LEU  60           HG       LEU  60  -4.361   2.729  -0.916
  493   1HD1  LEU  60          3HD1      LEU  60  -3.852  -0.039  -1.922
  494   2HD1  LEU  60          2HD1      LEU  60  -2.882   1.271  -2.593
  495   3HD1  LEU  60          1HD1      LEU  60  -2.870   0.963  -0.857
  496   1HD2  LEU  60          3HD2      LEU  60  -5.740   1.782  -3.417
  497   2HD2  LEU  60          2HD2      LEU  60  -5.571   3.423  -2.793
  498   3HD2  LEU  60          1HD2      LEU  60  -4.194   2.620  -3.545
  499    H    ASN  61           H        ASN  61  -7.603   1.109   1.700
  500    HA   ASN  61           HA       ASN  61  -9.696  -0.648   0.698
  501   1HB   ASN  61          2HB       ASN  61  -8.483  -0.021   3.351
  502   2HB   ASN  61          1HB       ASN  61 -10.098  -0.732   3.343
  503   1HD2  ASN  61          2HD2      ASN  61  -8.869  -3.949   2.659
  504   2HD2  ASN  61          1HD2      ASN  61 -10.130  -2.980   3.254
  505    H    MET  62           H        MET  62  -9.589   2.564   2.108
  506    HA   MET  62           HA       MET  62 -12.454   2.624   2.689
  507   1HB   MET  62          2HB       MET  62 -10.444   4.023   3.730
  508   2HB   MET  62          1HB       MET  62 -10.852   5.132   2.419
  509   1HG   MET  62          2HG       MET  62 -13.335   4.627   3.326
  510   2HG   MET  62          1HG       MET  62 -12.441   4.372   4.824
  511   1HE   MET  62          1HE       MET  62 -10.812   5.932   5.827
  512   2HE   MET  62          3HE       MET  62 -11.321   7.612   6.049
  513   3HE   MET  62          2HE       MET  62 -12.421   6.295   6.447
  514    H    TYR  63           H        TYR  63 -10.416   3.420  -0.042
  515    HA   TYR  63           HA       TYR  63 -12.516   5.018  -1.340
  516   1HB   TYR  63          2HB       TYR  63  -9.763   4.109  -2.185
  517   2HB   TYR  63          1HB       TYR  63 -10.858   4.941  -3.290
  518    HD1  TYR  63           HD2      TYR  63 -12.127   7.027  -1.967
  519    HD2  TYR  63           HD1      TYR  63  -8.185   5.506  -1.205
  520    HE1  TYR  63           HE2      TYR  63 -11.481   9.205  -0.973
  521    HE2  TYR  63           HE1      TYR  63  -7.537   7.684  -0.210
  522    HH   TYR  63           HH       TYR  63  -9.735  10.008   0.720
  523    H    GLY  64           H        GLY  64 -11.226   1.730  -1.526
  524   1HA   GLY  64          2HA       GLY  64 -13.332   0.287  -2.321
  525   2HA   GLY  64          1HA       GLY  64 -12.985   1.125  -3.833
  526    H    TRP  65           H        TRP  65 -10.047   1.103  -3.218
  527    HA   TRP  65           HA       TRP  65  -9.313  -1.259  -4.631
  528   1HB   TRP  65          2HB       TRP  65  -7.725   0.567  -2.810
  529   2HB   TRP  65          1HB       TRP  65  -6.990  -0.722  -3.763
  530    HD1  TRP  65           HD1      TRP  65  -8.731   2.653  -4.090
  531    HE1  TRP  65           HE1      TRP  65  -8.330   3.573  -6.467
  532    HE3  TRP  65           HE3      TRP  65  -6.495  -1.406  -6.242
  533    HZ2  TRP  65           HZ2      TRP  65  -7.210   2.702  -8.947
  534    HZ3  TRP  65           HZ3      TRP  65  -5.773  -1.331  -8.611
  535    HH2  TRP  65           HH2      TRP  65  -6.127   0.715  -9.966
  536    H    HIS  66           H        HIS  66  -9.587  -3.304  -3.864
  537    HA   HIS  66           HA       HIS  66  -9.249  -3.787  -0.936
  538   1HB   HIS  66          2HB       HIS  66 -10.478  -5.652  -2.985
  539   2HB   HIS  66          1HB       HIS  66 -10.575  -5.778  -1.230
  540    HD1  HIS  66           HD1      HIS  66 -11.671  -3.405  -0.124
  541    HD2  HIS  66           HD2      HIS  66 -12.735  -4.456  -4.015
  542    HE1  HIS  66           HE1      HIS  66 -13.817  -2.163  -0.640
  543    H    LYS  67           H        LYS  67  -7.662  -5.181  -0.218
  544    HA   LYS  67           HA       LYS  67  -5.745  -6.162  -2.267
  545   1HB   LYS  67          2HB       LYS  67  -4.152  -6.408  -0.419
  546   2HB   LYS  67          1HB       LYS  67  -4.835  -4.786  -0.410
  547   1HG   LYS  67          2HG       LYS  67  -6.572  -5.775   1.267
  548   2HG   LYS  67          1HG       LYS  67  -5.405  -7.081   1.460
  549   1HD   LYS  67          2HD       LYS  67  -4.536  -4.203   1.673
  550   2HD   LYS  67          1HD       LYS  67  -5.240  -5.035   3.060
  551   1HE   LYS  67          2HE       LYS  67  -3.077  -5.664   3.441
  552   2HE   LYS  67          1HE       LYS  67  -3.445  -6.904   2.244
  553   1HZ   LYS  67          3HZ       LYS  67  -2.600  -5.419   0.520
  554   2HZ   LYS  67          2HZ       LYS  67  -2.212  -4.257   1.697
  555   3HZ   LYS  67          1HZ       LYS  67  -1.411  -5.755   1.682
  556    H    VAL  68           H        VAL  68  -4.685  -8.352  -1.649
  557    HA   VAL  68           HA       VAL  68  -6.742 -10.364  -1.626
  558    HB   VAL  68           HB       VAL  68  -4.819 -11.964  -1.416
  559   1HG1  VAL  68          1HG1      VAL  68  -5.432 -10.165  -3.539
  560   2HG1  VAL  68          3HG1      VAL  68  -3.676 -10.327  -3.490
  561   3HG1  VAL  68          2HG1      VAL  68  -4.690 -11.759  -3.652
  562   1HG2  VAL  68          3HG2      VAL  68  -3.535 -10.096  -0.044
  563   2HG2  VAL  68          2HG2      VAL  68  -2.640 -11.244  -1.040
  564   3HG2  VAL  68          1HG2      VAL  68  -2.962  -9.618  -1.643
  565    H    GLN  69           H        GLN  69  -7.124 -11.973   0.028
  566    HA   GLN  69           HA       GLN  69  -6.661 -10.900   2.762
  567   1HB   GLN  69          2HB       GLN  69  -8.671 -12.882   1.657
  568   2HB   GLN  69          1HB       GLN  69  -8.497 -12.540   3.379
  569   1HG   GLN  69          2HG       GLN  69 -10.103 -10.972   2.891
  570   2HG   GLN  69          1HG       GLN  69  -8.679 -10.016   2.475
  571   1HE2  GLN  69          2HE2      GLN  69 -10.688 -11.746  -0.681
  572   2HE2  GLN  69          1HE2      GLN  69 -10.522 -12.620   0.764
  573    H    ASP  70           H        ASP  70  -7.412 -14.215   2.972
  574    HA   ASP  70           HA       ASP  70  -4.925 -15.468   2.430
  575   1HB   ASP  70          2HB       ASP  70  -4.066 -15.644   4.792
  576   2HB   ASP  70          1HB       ASP  70  -3.948 -14.020   4.117
  577    H    VAL  71           H        VAL  71  -7.741 -16.068   2.309
  578    HA   VAL  71           HA       VAL  71  -7.711 -18.613   3.819
  579    HB   VAL  71           HB       VAL  71 -10.092 -16.743   3.966
  580   1HG1  VAL  71          3HG1      VAL  71 -10.138 -19.397   4.199
  581   2HG1  VAL  71          2HG1      VAL  71  -9.575 -19.024   5.828
  582   3HG1  VAL  71          1HG1      VAL  71 -11.109 -18.371   5.254
  583   1HG2  VAL  71          3HG2      VAL  71  -7.848 -17.263   5.936
  584   2HG2  VAL  71          2HG2      VAL  71  -8.351 -15.711   5.266
  585   3HG2  VAL  71          1HG2      VAL  71  -9.394 -16.558   6.408
  586    H    LYS  72           H        LYS  72  -9.891 -16.595   1.813
  587    HA   LYS  72           HA       LYS  72 -10.995 -18.906   0.448
  588   1HB   LYS  72          2HB       LYS  72 -11.094 -15.976  -0.334
  589   2HB   LYS  72          1HB       LYS  72 -12.131 -17.256  -0.966
  590   1HG   LYS  72          2HG       LYS  72 -12.626 -17.657   1.613
  591   2HG   LYS  72          1HG       LYS  72 -12.146 -15.963   1.731
  592   1HD   LYS  72          2HD       LYS  72 -13.776 -15.699  -0.343
  593   2HD   LYS  72          1HD       LYS  72 -14.488 -17.174   0.309
  594   1HE   LYS  72          2HE       LYS  72 -13.943 -15.192   2.394
  595   2HE   LYS  72          1HE       LYS  72 -15.048 -14.585   1.161
  596   1HZ   LYS  72          2HZ       LYS  72 -16.390 -16.583   1.445
  597   2HZ   LYS  72          1HZ       LYS  72 -15.339 -17.131   2.661
  598   3HZ   LYS  72          3HZ       LYS  72 -16.252 -15.722   2.903
  599    H    SER  73           H        SER  73  -8.964 -16.197  -0.736
  600    HA   SER  73           HA       SER  73  -8.149 -17.846  -3.048
  601   1HB   SER  73          2HB       SER  73  -7.109 -15.085  -2.432
  602   2HB   SER  73          1HB       SER  73  -7.316 -15.860  -4.000
  603    HG   SER  73           HG       SER  73  -9.560 -15.718  -3.698
  604    H    GLY  74           H        GLY  74  -7.182 -19.216  -1.060
  605   1HA   GLY  74          2HA       GLY  74  -4.439 -19.439  -1.345
  606   2HA   GLY  74          1HA       GLY  74  -4.630 -18.284  -0.025
  607    H    SER  75           H        SER  75  -4.659 -21.598  -0.870
  608    HA   SER  75           HA       SER  75  -6.167 -22.496   1.479
  609   1HB   SER  75          2HB       SER  75  -5.101 -24.761   0.714
  610   2HB   SER  75          1HB       SER  75  -6.339 -24.018  -0.294
  611    HG   SER  75           HG       SER  75  -4.093 -24.732  -1.158
  612    H    MET  76           H        MET  76  -2.771 -22.260   0.480
  613    HA   MET  76           HA       MET  76  -2.011 -22.802   3.319
  614   1HB   MET  76          2HB       MET  76   0.310 -23.352   2.162
  615   2HB   MET  76          1HB       MET  76  -0.952 -24.572   2.271
  616   1HG   MET  76          2HG       MET  76  -0.102 -24.605   0.015
  617   2HG   MET  76          1HG       MET  76  -1.707 -23.880  -0.041
  618   1HE   MET  76          2HE       MET  76  -0.132 -23.931  -2.154
  619   2HE   MET  76          1HE       MET  76  -0.606 -22.344  -2.757
  620   3HE   MET  76          3HE       MET  76   1.103 -22.729  -2.523
  621    H    LEU  77           H        LEU  77  -2.209 -20.372   1.013
  622    HA   LEU  77           HA       LEU  77   0.254 -18.961   1.793
  623   1HB   LEU  77          2HB       LEU  77  -1.398 -18.893  -0.447
  624   2HB   LEU  77          1HB       LEU  77  -1.798 -17.393   0.386
  625    HG   LEU  77           HG       LEU  77   1.067 -18.231  -0.093
  626   1HD1  LEU  77          2HD1      LEU  77  -0.599 -17.885  -2.177
  627   2HD1  LEU  77          1HD1      LEU  77  -0.230 -16.193  -1.842
  628   3HD1  LEU  77          3HD1      LEU  77   1.073 -17.325  -2.209
  629   1HD2  LEU  77          3HD2      LEU  77   0.429 -16.433   1.597
  630   2HD2  LEU  77          2HD2      LEU  77   1.538 -15.912   0.329
  631   3HD2  LEU  77          1HD2      LEU  77  -0.170 -15.483   0.238
  632    H    SER  78           H        SER  78   0.340 -17.634   3.555
  633    HA   SER  78           HA       SER  78  -2.251 -16.629   4.669
  634   1HB   SER  78          2HB       SER  78  -1.379 -16.898   6.886
  635   2HB   SER  78          1HB       SER  78  -1.050 -18.405   6.037
  636    HG   SER  78           HG       SER  78   0.697 -16.303   6.723
  637    H    ASN  79           H        ASN  79   1.269 -15.969   4.585
  638    HA   ASN  79           HA       ASN  79   0.587 -13.054   4.553
  639   1HB   ASN  79          2HB       ASN  79   2.795 -14.527   5.991
  640   2HB   ASN  79          1HB       ASN  79   2.934 -12.809   5.616
  641   1HD2  ASN  79          2HD2      ASN  79   0.314 -11.855   7.899
  642   2HD2  ASN  79          1HD2      ASN  79   1.052 -11.406   6.437
  643    H    ASN  80           H        ASN  80   2.375 -11.744   3.494
  644    HA   ASN  80           HA       ASN  80   4.243 -13.078   1.724
  645   1HB   ASN  80          2HB       ASN  80   3.159 -12.328  -0.401
  646   2HB   ASN  80          1HB       ASN  80   2.222 -13.559   0.448
  647   1HD2  ASN  80          2HD2      ASN  80   0.573  -9.945  -0.220
  648   2HD2  ASN  80          1HD2      ASN  80   2.069 -10.396  -0.882
  649    H    ASP  81           H        ASP  81   5.897 -11.663   1.778
  650    HA   ASP  81           HA       ASP  81   5.268  -8.739   1.835
  651   1HB   ASP  81          2HB       ASP  81   7.528  -8.498   2.891
  652   2HB   ASP  81          1HB       ASP  81   6.408  -9.452   3.864
  653    H    SER  82           H        SER  82   7.035  -7.391   0.815
  654    HA   SER  82           HA       SER  82   8.564  -6.869  -0.891
  655   1HB   SER  82          2HB       SER  82   8.527  -9.705  -1.905
  656   2HB   SER  82          1HB       SER  82   9.807  -8.501  -2.032
  657    HG   SER  82           HG       SER  82  10.525  -9.146  -0.172
  658    H    ARG  83           H        ARG  83   6.515  -9.484  -2.247
  659    HA   ARG  83           HA       ARG  83   5.767  -7.635  -4.435
  660   1HB   ARG  83          2HB       ARG  83   4.786  -9.666  -5.482
  661   2HB   ARG  83          1HB       ARG  83   6.491  -9.873  -5.092
  662   1HG   ARG  83          2HG       ARG  83   5.981 -11.681  -3.854
  663   2HG   ARG  83          1HG       ARG  83   5.020 -10.667  -2.784
  664   1HD   ARG  83          2HD       ARG  83   3.093 -11.511  -3.595
  665   2HD   ARG  83          1HD       ARG  83   3.591 -11.216  -5.261
  666    HE   ARG  83           HE       ARG  83   5.053 -13.450  -4.521
  667   1HH1  ARG  83          1HH2      ARG  83   2.864 -14.165  -2.662
  668   2HH1  ARG  83          2HH2      ARG  83   1.773 -15.049  -3.675
  669   1HH2  ARG  83          2HH1      ARG  83   3.161 -13.888  -6.634
  670   2HH2  ARG  83          1HH1      ARG  83   1.942 -14.894  -5.924
  671    H    TRP  84           H        TRP  84   4.024  -6.387  -4.027
  672    HA   TRP  84           HA       TRP  84   1.801  -7.522  -2.389
  673   1HB   TRP  84          2HB       TRP  84   2.604  -4.658  -2.977
  674   2HB   TRP  84          1HB       TRP  84   1.123  -5.104  -2.130
  675    HD1  TRP  84           HD1      TRP  84   4.865  -6.080  -1.817
  676    HE1  TRP  84           HE1      TRP  84   5.477  -6.099   0.688
  677    HE3  TRP  84           HE3      TRP  84   0.357  -4.782   0.205
  678    HZ2  TRP  84           HZ2      TRP  84   4.223  -5.627   3.212
  679    HZ3  TRP  84           HZ3      TRP  84   0.095  -4.574   2.661
  680    HH2  TRP  84           HH2      TRP  84   2.021  -4.993   4.165
  681    H    GLU  85           H        GLU  85  -0.422  -6.685  -3.107
  682    HA   GLU  85           HA       GLU  85  -0.653  -6.043  -5.973
  683   1HB   GLU  85          2HB       GLU  85  -1.188  -8.734  -4.827
  684   2HB   GLU  85          1HB       GLU  85  -2.390  -8.114  -5.959
  685   1HG   GLU  85          2HG       GLU  85  -0.238  -7.496  -7.384
  686   2HG   GLU  85          1HG       GLU  85   0.487  -8.793  -6.432
  687    H    PHE  86           H        PHE  86  -2.237  -4.534  -6.064
  688    HA   PHE  86           HA       PHE  86  -4.453  -4.690  -4.055
  689   1HB   PHE  86          2HB       PHE  86  -3.752  -2.172  -5.558
  690   2HB   PHE  86          1HB       PHE  86  -4.598  -2.338  -4.025
  691    HD1  PHE  86           HD2      PHE  86  -2.697  -4.273  -2.643
  692    HD2  PHE  86           HD1      PHE  86  -1.972  -0.728  -4.962
  693    HE1  PHE  86           HE2      PHE  86  -0.551  -3.926  -1.449
  694    HE2  PHE  86           HE1      PHE  86   0.171  -0.384  -3.765
  695    HZ   PHE  86           HZ       PHE  86   0.881  -1.984  -2.008
  696    H    GLU  87           H        GLU  87  -6.277  -5.442  -5.020
  697    HA   GLU  87           HA       GLU  87  -6.720  -4.720  -7.885
  698   1HB   GLU  87          2HB       GLU  87  -8.030  -6.774  -8.098
  699   2HB   GLU  87          1HB       GLU  87  -6.423  -7.151  -7.480
  700   1HG   GLU  87          2HG       GLU  87  -7.640  -6.852  -5.128
  701   2HG   GLU  87          1HG       GLU  87  -9.068  -7.252  -6.080
  702    H    ASN  88           H        ASN  88  -8.412  -3.449  -8.317
  703    HA   ASN  88           HA       ASN  88 -10.662  -3.313  -6.347
  704   1HB   ASN  88          2HB       ASN  88  -9.027  -1.252  -6.567
  705   2HB   ASN  88          1HB       ASN  88  -9.908  -0.961  -8.064
  706   1HD2  ASN  88          2HD2      ASN  88 -11.809   0.897  -5.512
  707   2HD2  ASN  88          1HD2      ASN  88 -10.323   1.033  -6.320
  708    H    GLU  89           H        GLU  89  -9.791  -2.273  -9.627
  709    HA   GLU  89           HA       GLU  89 -10.881  -2.531 -11.681
  710   1HB   GLU  89          2HB       GLU  89 -10.991  -4.995 -10.505
  711   2HB   GLU  89          1HB       GLU  89 -12.708  -4.662 -10.738
  712   1HG   GLU  89          2HG       GLU  89 -11.756  -3.858 -13.144
  713   2HG   GLU  89          1HG       GLU  89 -10.575  -5.111 -12.757
  714    H    ARG  90           H        ARG  90 -12.062  -0.859  -9.457
  715    HA   ARG  90           HA       ARG  90 -13.985   0.420  -9.107
  716   1HB   ARG  90          2HB       ARG  90 -13.672   0.947 -11.481
  717   2HB   ARG  90          1HB       ARG  90 -14.556  -0.502 -11.946
  718   1HG   ARG  90          2HG       ARG  90 -16.595   0.417 -11.440
  719   2HG   ARG  90          1HG       ARG  90 -15.956   1.334 -10.075
  720   1HD   ARG  90          2HD       ARG  90 -15.493   2.012 -12.994
  721   2HD   ARG  90          1HD       ARG  90 -16.654   2.819 -11.939
  722    HE   ARG  90           HE       ARG  90 -14.160   2.975 -10.638
  723   1HH1  ARG  90          1HH2      ARG  90 -13.650   3.245 -13.742
  724   2HH1  ARG  90          2HH2      ARG  90 -13.540   4.970 -13.856
  725   1HH2  ARG  90          2HH1      ARG  90 -14.874   5.530 -10.705
  726   2HH2  ARG  90          1HH1      ARG  90 -14.234   6.262 -12.138
  727    H    HIS  91           H        HIS  91 -15.795  -1.806 -11.210
  728    HA   HIS  91           HA       HIS  91 -16.913  -3.157  -8.814
  729   1HB   HIS  91          2HB       HIS  91 -18.296  -1.103  -9.519
  730   2HB   HIS  91          1HB       HIS  91 -18.705  -2.024 -10.966
  731    HD1  HIS  91           HD1      HIS  91 -20.545  -3.723 -10.751
  732    HD2  HIS  91           HD2      HIS  91 -19.124  -2.482  -7.034
  733    HE1  HIS  91           HE1      HIS  91 -22.071  -4.760  -9.017
  734    H    ALA  92           HN       ALA  92 -16.949  -5.307  -9.211
  735    HA   ALA  92           HA       ALA  92 -17.362  -6.230 -12.021
  736   1HB   ALA  92          1HB       ALA  92 -15.330  -7.280 -10.030
  737   2HB   ALA  92          3HB       ALA  92 -15.722  -8.067 -11.557
  738   3HB   ALA  92          2HB       ALA  92 -14.983  -6.467 -11.555
   
  No H/Q in entry =         738
  Start of MODEL          15
 Raw file had  756 H/Q atoms
  Start of MODEL   15
    1   1H    ALA   1          3H        ALA   1 -17.838  13.585  -6.684
    2   2H    ALA   1          2H        ALA   1 -17.929  12.311  -7.806
    3   3H    ALA   1          1H        ALA   1 -18.660  12.157  -6.281
    4    HA   ALA   1           HA       ALA   1 -16.685  11.843  -5.182
    5   1HB   ALA   1          1HB       ALA   1 -16.644  10.651  -7.936
    6   2HB   ALA   1          3HB       ALA   1 -15.252  10.419  -6.880
    7   3HB   ALA   1          2HB       ALA   1 -16.843   9.850  -6.377
    8    H    ARG   2           H        ARG   2 -14.808  12.844  -4.647
    9    HA   ARG   2           HA       ARG   2 -12.983  13.909  -6.662
   10   1HB   ARG   2          2HB       ARG   2 -13.115  16.260  -5.835
   11   2HB   ARG   2          1HB       ARG   2 -14.603  15.736  -6.623
   12   1HG   ARG   2          2HG       ARG   2 -14.894  15.008  -3.909
   13   2HG   ARG   2          1HG       ARG   2 -14.198  16.627  -3.892
   14   1HD   ARG   2          2HD       ARG   2 -16.517  15.993  -5.705
   15   2HD   ARG   2          1HD       ARG   2 -16.791  16.388  -4.008
   16    HE   ARG   2           HE       ARG   2 -15.261  18.477  -4.703
   17   1HH1  ARG   2          2HH1      ARG   2 -16.294  17.254  -7.497
   18   2HH1  ARG   2          1HH1      ARG   2 -17.436  18.495  -7.899
   19   1HH2  ARG   2          1HH2      ARG   2 -17.373  19.936  -4.745
   20   2HH2  ARG   2          2HH2      ARG   2 -18.046  20.014  -6.339
   21    HA   PRO   3           HA       PRO   3 -11.220  13.001  -2.521
   22   1HB   PRO   3          2HB       PRO   3  -9.905  10.657  -3.057
   23   2HB   PRO   3          1HB       PRO   3 -11.574  10.725  -2.463
   24   1HG   PRO   3          2HG       PRO   3 -10.576  10.093  -5.194
   25   2HG   PRO   3          1HG       PRO   3 -12.085   9.601  -4.407
   26   1HD   PRO   3          2HD       PRO   3 -11.798  11.661  -6.325
   27   2HD   PRO   3          1HD       PRO   3 -13.225  11.359  -5.314
   28    H    ALA   4           H        ALA   4  -9.322  14.063  -2.159
   29    HA   ALA   4           HA       ALA   4  -7.525  14.778  -4.288
   30   1HB   ALA   4          3HB       ALA   4  -7.985  15.924  -1.963
   31   2HB   ALA   4          2HB       ALA   4  -6.698  14.857  -1.401
   32   3HB   ALA   4          1HB       ALA   4  -6.378  16.025  -2.684
   33    H    PHE   5           H        PHE   5  -7.656  12.060  -2.099
   34    HA   PHE   5           HA       PHE   5  -4.877  11.307  -2.288
   35   1HB   PHE   5          2HB       PHE   5  -6.381  10.472  -0.502
   36   2HB   PHE   5          1HB       PHE   5  -7.302   9.583  -1.713
   37    HD1  PHE   5           HD2      PHE   5  -3.904   9.911  -0.195
   38    HD2  PHE   5           HD1      PHE   5  -6.582   7.459  -2.492
   39    HE1  PHE   5           HE2      PHE   5  -2.301   8.022  -0.051
   40    HE2  PHE   5           HE1      PHE   5  -4.980   5.572  -2.346
   41    HZ   PHE   5           HZ       PHE   5  -2.839   5.852  -1.127
   42    H    VAL   6           H        VAL   6  -7.799  10.328  -4.117
   43    HA   VAL   6           HA       VAL   6  -6.307   8.467  -5.776
   44    HB   VAL   6           HB       VAL   6  -8.972   9.711  -6.492
   45   1HG1  VAL   6          2HG1      VAL   6  -7.600   8.232  -8.104
   46   2HG1  VAL   6          1HG1      VAL   6  -7.940   6.909  -6.992
   47   3HG1  VAL   6          3HG1      VAL   6  -9.267   7.741  -7.800
   48   1HG2  VAL   6          2HG2      VAL   6  -8.327   7.437  -4.589
   49   2HG2  VAL   6          1HG2      VAL   6  -9.239   8.903  -4.231
   50   3HG2  VAL   6          3HG2      VAL   6  -9.923   7.676  -5.297
   51    H    ASN   7           H        ASN   7  -7.069  11.896  -5.941
   52    HA   ASN   7           HA       ASN   7  -6.445  12.289  -8.730
   53   1HB   ASN   7          2HB       ASN   7  -6.005  14.236  -6.438
   54   2HB   ASN   7          1HB       ASN   7  -6.153  14.643  -8.148
   55   1HD2  ASN   7          2HD2      ASN   7  -9.726  13.493  -8.023
   56   2HD2  ASN   7          1HD2      ASN   7  -8.345  12.966  -8.858
   57    H    LYS   8           H        LYS   8  -4.542  12.365  -5.755
   58    HA   LYS   8           HA       LYS   8  -2.001  12.910  -7.032
   59   1HB   LYS   8          2HB       LYS   8  -2.149  13.455  -4.723
   60   2HB   LYS   8          1HB       LYS   8  -2.886  11.912  -4.315
   61   1HG   LYS   8          2HG       LYS   8  -0.238  11.557  -5.509
   62   2HG   LYS   8          1HG       LYS   8  -0.174  12.576  -4.072
   63   1HD   LYS   8          2HD       LYS   8  -1.057  10.897  -2.682
   64   2HD   LYS   8          1HD       LYS   8  -1.751  10.007  -4.039
   65   1HE   LYS   8          2HE       LYS   8   0.224   8.822  -3.242
   66   2HE   LYS   8          1HE       LYS   8   0.564   9.502  -4.834
   67   1HZ   LYS   8          1HZ       LYS   8   1.199  11.015  -2.383
   68   2HZ   LYS   8          3HZ       LYS   8   2.269   9.835  -2.968
   69   3HZ   LYS   8          2HZ       LYS   8   1.865  11.171  -3.939
   70    H    LEU   9           H        LEU   9  -3.939  10.059  -6.423
   71    HA   LEU   9           HA       LEU   9  -1.952   8.037  -6.655
   72   1HB   LEU   9          2HB       LEU   9  -4.363   7.749  -5.935
   73   2HB   LEU   9          1HB       LEU   9  -4.814   7.880  -7.633
   74    HG   LEU   9           HG       LEU   9  -3.065   5.997  -8.012
   75   1HD1  LEU   9          2HD1      LEU   9  -2.542   6.372  -5.367
   76   2HD1  LEU   9          1HD1      LEU   9  -3.734   5.076  -5.270
   77   3HD1  LEU   9          3HD1      LEU   9  -2.256   4.847  -6.203
   78   1HD2  LEU   9          3HD2      LEU   9  -5.806   5.803  -6.796
   79   2HD2  LEU   9          2HD2      LEU   9  -5.287   5.421  -8.438
   80   3HD2  LEU   9          1HD2      LEU   9  -4.900   4.324  -7.112
   81    H    TRP  10           H        TRP  10  -3.827   9.806  -9.087
   82    HA   TRP  10           HA       TRP  10  -2.597   8.297 -11.297
   83   1HB   TRP  10          2HB       TRP  10  -4.573  10.589 -11.190
   84   2HB   TRP  10          1HB       TRP  10  -3.932   9.947 -12.703
   85    HD1  TRP  10           HD1      TRP  10  -4.033   6.990 -12.534
   86    HE1  TRP  10           HE1      TRP  10  -6.192   5.650 -12.093
   87    HE3  TRP  10           HE3      TRP  10  -6.901  10.607 -10.359
   88    HZ2  TRP  10           HZ2      TRP  10  -8.788   6.054 -10.983
   89    HZ3  TRP  10           HZ3      TRP  10  -9.205  10.097  -9.614
   90    HH2  TRP  10           HH2      TRP  10 -10.157   7.834  -9.929
   91    H    SER  11           H        SER  11  -0.450   9.026 -10.445
   92    HA   SER  11           HA       SER  11   0.782  10.926 -12.133
   93   1HB   SER  11          2HB       SER  11   1.383  12.455  -9.983
   94   2HB   SER  11          1HB       SER  11   0.052  12.837 -11.070
   95    HG   SER  11           HG       SER  11  -0.467  12.761  -8.770
   96    H    MET  12           H        MET  12   0.738   9.468  -8.914
   97    HA   MET  12           HA       MET  12   3.662   9.124  -8.856
   98   1HB   MET  12          2HB       MET  12   2.328   9.523  -6.766
   99   2HB   MET  12          1HB       MET  12   1.529   7.971  -7.022
  100   1HG   MET  12          2HG       MET  12   3.544   6.758  -6.707
  101   2HG   MET  12          1HG       MET  12   4.537   8.203  -6.889
  102   1HE   MET  12          3HE       MET  12   1.512   6.840  -5.044
  103   2HE   MET  12          2HE       MET  12   2.809   5.830  -4.413
  104   3HE   MET  12          1HE       MET  12   1.955   6.931  -3.334
  105    H    VAL  13           H        VAL  13   0.734   7.279  -9.580
  106    HA   VAL  13           HA       VAL  13   2.217   4.753  -9.868
  107    HB   VAL  13           HB       VAL  13  -0.599   5.307 -10.835
  108   1HG1  VAL  13          2HG1      VAL  13   0.505   3.166 -11.488
  109   2HG1  VAL  13          1HG1      VAL  13   0.753   2.803  -9.783
  110   3HG1  VAL  13          3HG1      VAL  13  -0.881   2.911 -10.433
  111   1HG2  VAL  13          1HG2      VAL  13  -0.270   6.013  -8.422
  112   2HG2  VAL  13          3HG2      VAL  13  -1.429   4.704  -8.647
  113   3HG2  VAL  13          2HG2      VAL  13   0.199   4.351  -8.069
  114    H    ASN  14           H        ASN  14   2.031   7.510 -11.759
  115    HA   ASN  14           HA       ASN  14   1.577   6.488 -14.381
  116   1HB   ASN  14          2HB       ASN  14   2.785   8.915 -13.192
  117   2HB   ASN  14          1HB       ASN  14   3.353   8.514 -14.814
  118   1HD2  ASN  14          2HD2      ASN  14  -0.601   9.504 -14.278
  119   2HD2  ASN  14          1HD2      ASN  14   0.309   8.967 -12.950
  120    H    ASP  15           H        ASP  15   4.229   5.981 -12.226
  121    HA   ASP  15           HA       ASP  15   6.171   4.700 -12.498
  122   1HB   ASP  15          2HB       ASP  15   4.505   3.458 -14.158
  123   2HB   ASP  15          1HB       ASP  15   5.557   4.170 -15.382
  124    H    LYS  16           H        LYS  16   5.949   7.597 -13.225
  125    HA   LYS  16           HA       LYS  16   7.924   7.876 -15.406
  126   1HB   LYS  16          2HB       LYS  16   6.374   9.877 -13.745
  127   2HB   LYS  16          1HB       LYS  16   7.604  10.353 -14.916
  128   1HG   LYS  16          2HG       LYS  16   6.380   9.353 -16.730
  129   2HG   LYS  16          1HG       LYS  16   5.252   8.581 -15.618
  130   1HD   LYS  16          2HD       LYS  16   4.175  10.595 -15.103
  131   2HD   LYS  16          1HD       LYS  16   5.553  11.573 -15.614
  132   1HE   LYS  16          2HE       LYS  16   5.135  10.762 -17.973
  133   2HE   LYS  16          1HE       LYS  16   3.634  10.042 -17.389
  134   1HZ   LYS  16          3HZ       LYS  16   3.242  12.403 -16.436
  135   2HZ   LYS  16          2HZ       LYS  16   4.375  12.879 -17.610
  136   3HZ   LYS  16          1HZ       LYS  16   2.938  12.102 -18.076
  137    H    SER  17           H        SER  17   7.839   9.714 -12.351
  138    HA   SER  17           HA       SER  17  10.705   9.784 -12.130
  139   1HB   SER  17          2HB       SER  17   8.398  10.527 -10.387
  140   2HB   SER  17          1HB       SER  17   9.959  10.309  -9.603
  141    HG   SER  17           HG       SER  17   9.088  12.368 -11.051
  142    H    ASN  18           H        ASN  18   8.220   7.659 -10.837
  143    HA   ASN  18           HA       ASN  18  10.324   6.018  -9.495
  144   1HB   ASN  18          2HB       ASN  18   8.257   4.854  -8.467
  145   2HB   ASN  18          1HB       ASN  18   8.615   6.487  -7.910
  146   1HD2  ASN  18          2HD2      ASN  18   5.578   7.828  -9.111
  147   2HD2  ASN  18          1HD2      ASN  18   7.013   8.093  -8.252
  148    H    GLU  19           H        GLU  19  10.285   5.906 -12.229
  149    HA   GLU  19           HA       GLU  19   8.597   3.954 -13.407
  150   1HB   GLU  19          2HB       GLU  19  10.116   5.597 -14.587
  151   2HB   GLU  19          1HB       GLU  19  11.453   4.516 -14.204
  152   1HG   GLU  19          2HG       GLU  19  10.316   2.679 -15.397
  153   2HG   GLU  19          1HG       GLU  19   8.976   3.759 -15.781
  154    H    LYS  20           H        LYS  20  11.408   3.572 -11.354
  155    HA   LYS  20           HA       LYS  20  11.435   0.657 -12.007
  156   1HB   LYS  20          2HB       LYS  20  13.682   0.614 -10.987
  157   2HB   LYS  20          1HB       LYS  20  13.595   1.773 -12.310
  158   1HG   LYS  20          2HG       LYS  20  12.839   3.236 -10.031
  159   2HG   LYS  20          1HG       LYS  20  14.180   2.230  -9.492
  160   1HD   LYS  20          2HD       LYS  20  15.693   3.406 -10.699
  161   2HD   LYS  20          1HD       LYS  20  14.662   3.431 -12.127
  162   1HE   LYS  20          2HE       LYS  20  13.270   5.203 -10.920
  163   2HE   LYS  20          1HE       LYS  20  14.589   5.305  -9.756
  164   1HZ   LYS  20          2HZ       LYS  20  16.042   5.583 -11.842
  165   2HZ   LYS  20          1HZ       LYS  20  14.589   5.997 -12.619
  166   3HZ   LYS  20          3HZ       LYS  20  15.134   6.912 -11.299
  167    H    PHE  21           H        PHE  21   9.450   1.893 -10.202
  168    HA   PHE  21           HA       PHE  21  10.144   0.313  -7.762
  169   1HB   PHE  21          2HB       PHE  21   8.822   3.043  -7.809
  170   2HB   PHE  21          1HB       PHE  21   9.030   2.041  -6.372
  171    HD1  PHE  21           HD1      PHE  21  11.619   1.007  -6.327
  172    HD2  PHE  21           HD2      PHE  21  10.364   4.777  -7.950
  173    HE1  PHE  21           HE1      PHE  21  13.917   1.899  -6.042
  174    HE2  PHE  21           HE2      PHE  21  12.658   5.669  -7.667
  175    HZ   PHE  21           HZ       PHE  21  14.436   4.227  -6.713
  176    H    ILE  22           H        ILE  22   7.310   2.221  -8.817
  177    HA   ILE  22           HA       ILE  22   5.622  -0.187  -8.320
  178    HB   ILE  22           HB       ILE  22   4.992   1.865  -7.115
  179   1HG1  ILE  22          2HG1      ILE  22   2.967   1.484  -9.327
  180   2HG1  ILE  22          1HG1      ILE  22   3.256   0.236  -8.113
  181   1HG2  ILE  22          2HG2      ILE  22   5.352   3.037  -9.804
  182   2HG2  ILE  22          1HG2      ILE  22   3.940   3.619  -8.924
  183   3HG2  ILE  22          3HG2      ILE  22   5.547   3.774  -8.215
  184   1HD1  ILE  22          2HD1      ILE  22   2.995   2.338  -6.466
  185   2HD1  ILE  22          1HD1      ILE  22   2.008   2.927  -7.805
  186   3HD1  ILE  22          3HD1      ILE  22   1.603   1.404  -7.015
  187    H    HIS  23           H        HIS  23   3.826  -0.548  -9.916
  188    HA   HIS  23           HA       HIS  23   3.963   0.618 -12.563
  189   1HB   HIS  23          2HB       HIS  23   6.003  -1.003 -12.379
  190   2HB   HIS  23          1HB       HIS  23   4.790  -2.280 -12.484
  191    HD1  HIS  23           HD1      HIS  23   6.931  -0.448 -14.617
  192    HD2  HIS  23           HD2      HIS  23   2.919  -1.552 -14.871
  193    HE1  HIS  23           HE1      HIS  23   6.301  -0.302 -17.065
  194    H    TRP  24           H        TRP  24   2.050   0.139 -13.663
  195    HA   TRP  24           HA       TRP  24  -0.138  -0.964 -12.234
  196   1HB   TRP  24          2HB       TRP  24   0.296  -0.514 -15.194
  197   2HB   TRP  24          1HB       TRP  24  -1.239  -1.077 -14.531
  198    HD1  TRP  24           HD1      TRP  24   1.201   1.893 -14.214
  199    HE1  TRP  24           HE1      TRP  24  -0.144   3.974 -13.497
  200    HE3  TRP  24           HE3      TRP  24  -3.404  -0.215 -13.554
  201    HZ2  TRP  24           HZ2      TRP  24  -2.820   4.654 -12.749
  202    HZ3  TRP  24           HZ3      TRP  24  -5.331   1.170 -12.840
  203    HH2  TRP  24           HH2      TRP  24  -5.045   3.600 -12.437
  204    H    SER  25           H        SER  25  -1.472  -2.885 -13.296
  205    HA   SER  25           HA       SER  25   0.186  -5.261 -12.993
  206   1HB   SER  25          2HB       SER  25  -2.503  -4.682 -12.617
  207   2HB   SER  25          1HB       SER  25  -2.515  -5.701 -14.051
  208    HG   SER  25           HG       SER  25  -1.654  -7.326 -12.922
  209    H    THR  26           H        THR  26  -2.146  -4.546 -15.614
  210    HA   THR  26           HA       THR  26  -0.150  -5.700 -17.521
  211    HB   THR  26           HB       THR  26  -3.163  -5.573 -17.852
  212    HG1  THR  26           HG1      THR  26  -2.795  -6.998 -16.242
  213   1HG2  THR  26          1HG2      THR  26  -1.512  -5.733 -19.864
  214   2HG2  THR  26          3HG2      THR  26  -1.242  -7.382 -19.299
  215   3HG2  THR  26          2HG2      THR  26  -2.859  -6.868 -19.783
  216    H    SER  27           H        SER  27  -3.035  -3.596 -17.787
  217    HA   SER  27           HA       SER  27  -1.330  -1.624 -19.249
  218   1HB   SER  27          2HB       SER  27  -2.976  -3.111 -20.652
  219   2HB   SER  27          1HB       SER  27  -4.216  -2.059 -19.975
  220    HG   SER  27           HG       SER  27  -2.918  -1.521 -22.060
  221    H    GLY  28           H        GLY  28  -4.615  -1.989 -17.872
  222   1HA   GLY  28          2HA       GLY  28  -4.158   0.345 -16.132
  223   2HA   GLY  28          1HA       GLY  28  -5.411   0.544 -17.358
  224    H    GLU  29           H        GLU  29  -4.419  -1.636 -14.711
  225    HA   GLU  29           HA       GLU  29  -6.980  -1.688 -13.484
  226   1HB   GLU  29          2HB       GLU  29  -7.644  -4.038 -14.077
  227   2HB   GLU  29          1HB       GLU  29  -7.756  -2.914 -15.432
  228   1HG   GLU  29          2HG       GLU  29  -5.348  -3.664 -16.001
  229   2HG   GLU  29          1HG       GLU  29  -5.653  -5.014 -14.908
  230    H    SER  30           H        SER  30  -6.294  -1.989 -11.449
  231    HA   SER  30           HA       SER  30  -5.307  -2.998  -9.575
  232   1HB   SER  30          2HB       SER  30  -4.202  -5.216 -11.275
  233   2HB   SER  30          1HB       SER  30  -4.788  -5.276  -9.617
  234    HG   SER  30           HG       SER  30  -6.574  -5.932 -10.510
  235    H    ILE  31           H        ILE  31  -3.184  -3.175  -8.618
  236    HA   ILE  31           HA       ILE  31  -0.975  -2.261 -10.419
  237    HB   ILE  31           HB       ILE  31  -1.418  -1.454  -7.524
  238   1HG1  ILE  31          2HG1      ILE  31  -1.733   0.236 -10.022
  239   2HG1  ILE  31          1HG1      ILE  31  -3.089  -0.537  -9.203
  240   1HG2  ILE  31          1HG2      ILE  31   0.754  -1.068  -9.514
  241   2HG2  ILE  31          3HG2      ILE  31   0.297   0.364  -8.591
  242   3HG2  ILE  31          2HG2      ILE  31   0.833  -1.093  -7.752
  243   1HD1  ILE  31          3HD1      ILE  31  -1.664   0.754  -7.155
  244   2HD1  ILE  31          2HD1      ILE  31  -1.672   1.899  -8.496
  245   3HD1  ILE  31          1HD1      ILE  31  -3.194   1.273  -7.864
  246    H    VAL  32           H        VAL  32   1.127  -3.047  -9.873
  247    HA   VAL  32           HA       VAL  32   1.138  -5.357  -7.974
  248    HB   VAL  32           HB       VAL  32   2.763  -5.082 -10.520
  249   1HG1  VAL  32          3HG1      VAL  32   2.540  -7.115  -8.331
  250   2HG1  VAL  32          2HG1      VAL  32   2.854  -7.674  -9.973
  251   3HG1  VAL  32          1HG1      VAL  32   3.971  -6.555  -9.194
  252   1HG2  VAL  32          3HG2      VAL  32   0.224  -5.364 -10.782
  253   2HG2  VAL  32          2HG2      VAL  32   1.230  -6.585 -11.561
  254   3HG2  VAL  32          1HG2      VAL  32   0.431  -6.946 -10.031
  255    H    VAL  33           H        VAL  33   2.950  -5.541  -6.643
  256    HA   VAL  33           HA       VAL  33   4.929  -3.298  -6.790
  257    HB   VAL  33           HB       VAL  33   3.788  -4.649  -4.316
  258   1HG1  VAL  33          1HG1      VAL  33   6.262  -3.291  -4.689
  259   2HG1  VAL  33          3HG1      VAL  33   5.208  -2.188  -3.804
  260   3HG1  VAL  33          2HG1      VAL  33   5.532  -3.800  -3.168
  261   1HG2  VAL  33          2HG2      VAL  33   2.309  -3.016  -5.608
  262   2HG2  VAL  33          1HG2      VAL  33   2.614  -2.597  -3.922
  263   3HG2  VAL  33          3HG2      VAL  33   3.492  -1.769  -5.209
  264    HA   PRO  34           HA       PRO  34   7.179  -7.260  -7.202
  265   1HB   PRO  34          2HB       PRO  34   9.394  -6.188  -8.416
  266   2HB   PRO  34          1HB       PRO  34   7.959  -6.731  -9.305
  267   1HG   PRO  34          2HG       PRO  34   8.861  -3.959  -8.716
  268   2HG   PRO  34          1HG       PRO  34   7.855  -4.555 -10.047
  269   1HD   PRO  34          2HD       PRO  34   6.930  -3.228  -7.727
  270   2HD   PRO  34          1HD       PRO  34   5.930  -4.097  -8.905
  271    H    ASN  35           H        ASN  35   8.102  -4.101  -5.985
  272    HA   ASN  35           HA       ASN  35   9.648  -5.415  -3.825
  273   1HB   ASN  35          2HB       ASN  35  10.811  -3.846  -5.984
  274   2HB   ASN  35          1HB       ASN  35  11.107  -3.074  -4.427
  275   1HD2  ASN  35          2HD2      ASN  35  12.836  -6.080  -3.170
  276   2HD2  ASN  35          1HD2      ASN  35  11.589  -5.050  -2.658
  277    H    ARG  36           H        ARG  36   8.193  -4.808  -2.248
  278    HA   ARG  36           HA       ARG  36   6.970  -2.165  -2.181
  279   1HB   ARG  36          2HB       ARG  36   5.982  -4.333  -1.241
  280   2HB   ARG  36          1HB       ARG  36   7.116  -4.151   0.097
  281   1HG   ARG  36          2HG       ARG  36   6.016  -1.634  -0.042
  282   2HG   ARG  36          1HG       ARG  36   4.646  -2.651  -0.490
  283   1HD   ARG  36          2HD       ARG  36   4.549  -2.496   1.883
  284   2HD   ARG  36          1HD       ARG  36   5.244  -4.085   1.556
  285    HE   ARG  36           HE       ARG  36   7.470  -2.485   1.792
  286   1HH1  ARG  36          2HH1      ARG  36   5.379  -4.133   3.797
  287   2HH1  ARG  36          1HH1      ARG  36   5.823  -3.305   5.253
  288   1HH2  ARG  36          1HH2      ARG  36   7.744  -0.918   3.622
  289   2HH2  ARG  36          2HH2      ARG  36   7.164  -1.483   5.153
  290    H    GLU  37           H        GLU  37   9.662  -3.771  -0.556
  291    HA   GLU  37           HA       GLU  37  10.181  -1.693   1.361
  292   1HB   GLU  37          2HB       GLU  37  12.435  -2.748   1.547
  293   2HB   GLU  37          1HB       GLU  37  11.124  -3.921   1.663
  294   1HG   GLU  37          2HG       GLU  37  11.445  -4.617  -0.623
  295   2HG   GLU  37          1HG       GLU  37  12.581  -3.301  -0.919
  296    H    ARG  38           H        ARG  38  10.995  -2.073  -2.022
  297    HA   ARG  38           HA       ARG  38  13.016   0.055  -1.991
  298   1HB   ARG  38          2HB       ARG  38  12.752  -2.020  -3.616
  299   2HB   ARG  38          1HB       ARG  38  11.696  -0.920  -4.501
  300   1HG   ARG  38          2HG       ARG  38  13.576   0.782  -4.425
  301   2HG   ARG  38          1HG       ARG  38  14.612  -0.501  -3.802
  302   1HD   ARG  38          2HD       ARG  38  13.352  -1.649  -6.027
  303   2HD   ARG  38          1HD       ARG  38  13.742  -0.006  -6.537
  304    HE   ARG  38           HE       ARG  38  16.002  -1.202  -5.214
  305   1HH1  ARG  38          2HH1      ARG  38  14.234  -2.494  -7.736
  306   2HH1  ARG  38          1HH1      ARG  38  15.509  -2.432  -8.906
  307   1HH2  ARG  38          1HH2      ARG  38  17.630  -0.570  -6.892
  308   2HH2  ARG  38          2HH2      ARG  38  17.430  -1.343  -8.429
  309    H    PHE  39           H        PHE  39   9.659  -0.340  -3.077
  310    HA   PHE  39           HA       PHE  39   9.268   2.209  -4.246
  311   1HB   PHE  39          2HB       PHE  39   7.570   0.602  -4.608
  312   2HB   PHE  39          1HB       PHE  39   7.446   0.212  -2.899
  313    HD1  PHE  39           HD1      PHE  39   6.483   2.600  -5.542
  314    HD2  PHE  39           HD2      PHE  39   6.162   1.615  -1.374
  315    HE1  PHE  39           HE1      PHE  39   4.615   4.214  -5.303
  316    HE2  PHE  39           HE2      PHE  39   4.296   3.229  -1.134
  317    HZ   PHE  39           HZ       PHE  39   3.522   4.529  -3.099
  318    H    VAL  40           H        VAL  40   8.198   1.256  -0.959
  319    HA   VAL  40           HA       VAL  40   7.578   3.814   0.005
  320    HB   VAL  40           HB       VAL  40   8.800   1.526   1.582
  321   1HG1  VAL  40          1HG1      VAL  40   7.434   4.090   2.332
  322   2HG1  VAL  40          3HG1      VAL  40   7.181   2.665   3.338
  323   3HG1  VAL  40          2HG1      VAL  40   8.810   3.294   3.093
  324   1HG2  VAL  40          1HG2      VAL  40   5.931   2.198   0.861
  325   2HG2  VAL  40          3HG2      VAL  40   6.832   0.763   0.373
  326   3HG2  VAL  40          2HG2      VAL  40   6.391   0.993   2.063
  327    H    GLN  41           H        GLN  41  10.686   2.111   0.513
  328    HA   GLN  41           HA       GLN  41  12.098   4.081   1.860
  329   1HB   GLN  41          2HB       GLN  41  12.805   1.701   1.052
  330   2HB   GLN  41          1HB       GLN  41  13.467   2.565  -0.334
  331   1HG   GLN  41          2HG       GLN  41  15.076   3.635   0.924
  332   2HG   GLN  41          1HG       GLN  41  14.081   3.643   2.380
  333   1HE2  GLN  41          2HE2      GLN  41  16.842   1.081   2.724
  334   2HE2  GLN  41          1HE2      GLN  41  16.844   2.737   2.352
  335    H    GLU  42           H        GLU  42  11.380   4.073  -1.629
  336    HA   GLU  42           HA       GLU  42  12.663   6.776  -1.726
  337   1HB   GLU  42          2HB       GLU  42  12.882   4.574  -3.792
  338   2HB   GLU  42          1HB       GLU  42  13.422   6.233  -4.048
  339   1HG   GLU  42          2HG       GLU  42  14.416   4.998  -1.554
  340   2HG   GLU  42          1HG       GLU  42  15.001   4.234  -3.031
  341    H    VAL  43           H        VAL  43   9.765   6.026  -1.500
  342    HA   VAL  43           HA       VAL  43   8.857   7.681  -3.766
  343    HB   VAL  43           HB       VAL  43   7.602   4.958  -3.319
  344   1HG1  VAL  43          2HG1      VAL  43   6.899   7.360  -4.853
  345   2HG1  VAL  43          1HG1      VAL  43   6.939   5.902  -5.843
  346   3HG1  VAL  43          3HG1      VAL  43   5.902   5.973  -4.419
  347   1HG2  VAL  43          3HG2      VAL  43   9.532   5.921  -5.458
  348   2HG2  VAL  43          2HG2      VAL  43   9.824   4.643  -4.280
  349   3HG2  VAL  43          1HG2      VAL  43   8.623   4.413  -5.549
  350    H    LEU  44           H        LEU  44   7.958   5.915  -0.793
  351    HA   LEU  44           HA       LEU  44   5.408   7.233  -0.528
  352   1HB   LEU  44          2HB       LEU  44   6.166   5.080   0.625
  353   2HB   LEU  44          1HB       LEU  44   7.010   6.114   1.774
  354    HG   LEU  44           HG       LEU  44   4.833   7.327   2.160
  355   1HD1  LEU  44          2HD1      LEU  44   3.990   5.280   0.166
  356   2HD1  LEU  44          1HD1      LEU  44   2.876   5.600   1.496
  357   3HD1  LEU  44          3HD1      LEU  44   3.377   6.912   0.430
  358   1HD2  LEU  44          2HD2      LEU  44   5.686   5.540   3.673
  359   2HD2  LEU  44          1HD2      LEU  44   3.924   5.585   3.617
  360   3HD2  LEU  44          3HD2      LEU  44   4.804   4.345   2.722
  361    HA   PRO  45           HA       PRO  45   7.568  10.223   2.396
  362   1HB   PRO  45          2HB       PRO  45  10.300  10.433   2.401
  363   2HB   PRO  45          1HB       PRO  45   9.398   9.388   3.513
  364   1HG   PRO  45          2HG       PRO  45  11.005   8.644   1.120
  365   2HG   PRO  45          1HG       PRO  45  10.640   7.693   2.570
  366   1HD   PRO  45          2HD       PRO  45   9.383   7.415   0.061
  367   2HD   PRO  45          1HD       PRO  45   8.815   6.739   1.598
  368    H    LYS  46           H        LYS  46   8.815   9.617  -0.802
  369    HA   LYS  46           HA       LYS  46   9.880  12.234  -1.330
  370   1HB   LYS  46          2HB       LYS  46   9.360   9.785  -2.815
  371   2HB   LYS  46          1HB       LYS  46   8.948  11.206  -3.774
  372   1HG   LYS  46          2HG       LYS  46  11.588  10.777  -2.341
  373   2HG   LYS  46          1HG       LYS  46  11.325  10.554  -4.069
  374   1HD   LYS  46          2HD       LYS  46  10.430  13.007  -4.001
  375   2HD   LYS  46          1HD       LYS  46  11.304  13.107  -2.473
  376   1HE   LYS  46          2HE       LYS  46  13.184  11.929  -4.074
  377   2HE   LYS  46          1HE       LYS  46  12.351  12.968  -5.231
  378   1HZ   LYS  46          2HZ       LYS  46  12.603  14.778  -3.520
  379   2HZ   LYS  46          1HZ       LYS  46  13.685  13.750  -2.708
  380   3HZ   LYS  46          3HZ       LYS  46  14.034  14.272  -4.283
  381    H    TYR  47           H        TYR  47   6.632  10.942  -1.289
  382    HA   TYR  47           HA       TYR  47   5.619  13.466  -2.514
  383   1HB   TYR  47          2HB       TYR  47   4.415  10.718  -2.163
  384   2HB   TYR  47          1HB       TYR  47   3.419  12.122  -2.551
  385    HD1  TYR  47           HD2      TYR  47   6.524  10.338  -3.669
  386    HD2  TYR  47           HD1      TYR  47   3.175  12.791  -4.785
  387    HE1  TYR  47           HE2      TYR  47   7.171  10.144  -6.059
  388    HE2  TYR  47           HE1      TYR  47   3.826  12.598  -7.169
  389    HH   TYR  47           HH       TYR  47   5.633  10.388  -8.409
  390    H    PHE  48           H        PHE  48   4.776  11.215   0.154
  391    HA   PHE  48           HA       PHE  48   3.299  13.345   1.537
  392   1HB   PHE  48          2HB       PHE  48   3.957  10.487   2.300
  393   2HB   PHE  48          1HB       PHE  48   2.977  11.570   3.288
  394    HD1  PHE  48           HD1      PHE  48   0.874  12.594   2.256
  395    HD2  PHE  48           HD2      PHE  48   3.018   9.331   0.466
  396    HE1  PHE  48           HE1      PHE  48  -1.115  12.042   0.882
  397    HE2  PHE  48           HE2      PHE  48   1.030   8.778  -0.908
  398    HZ   PHE  48           HZ       PHE  48  -1.037  10.134  -0.699
  399    H    LYS  49           H        LYS  49   3.827  13.611   3.983
  400    HA   LYS  49           HA       LYS  49   6.792  13.794   4.318
  401   1HB   LYS  49          2HB       LYS  49   4.917  15.888   4.266
  402   2HB   LYS  49          1HB       LYS  49   5.340  15.673   5.958
  403   1HG   LYS  49          2HG       LYS  49   7.789  15.488   4.607
  404   2HG   LYS  49          1HG       LYS  49   6.934  16.801   3.799
  405   1HD   LYS  49          2HD       LYS  49   6.476  17.811   6.050
  406   2HD   LYS  49          1HD       LYS  49   7.484  16.557   6.772
  407   1HE   LYS  49          2HE       LYS  49   9.201  17.408   4.897
  408   2HE   LYS  49          1HE       LYS  49   8.278  18.897   5.103
  409   1HZ   LYS  49          1HZ       LYS  49   8.660  18.701   7.513
  410   2HZ   LYS  49          3HZ       LYS  49   9.655  17.357   7.233
  411   3HZ   LYS  49          2HZ       LYS  49  10.101  18.883   6.632
  412    H    HIS  50           H        HIS  50   3.729  13.689   6.166
  413    HA   HIS  50           HA       HIS  50   5.209  12.221   8.309
  414   1HB   HIS  50          2HB       HIS  50   2.625  13.801   8.501
  415   2HB   HIS  50          1HB       HIS  50   3.445  12.999   9.841
  416    HD1  HIS  50           HD1      HIS  50   6.247  13.790   9.742
  417    HD2  HIS  50           HD2      HIS  50   3.278  16.473   8.572
  418    HE1  HIS  50           HE1      HIS  50   7.264  16.104   9.909
  419    H    SER  51           H        SER  51   4.872  10.252   6.953
  420    HA   SER  51           HA       SER  51   2.329   8.950   7.684
  421   1HB   SER  51          2HB       SER  51   1.772   8.289   5.431
  422   2HB   SER  51          1HB       SER  51   1.970  10.038   5.437
  423    HG   SER  51           HG       SER  51   3.957   9.806   4.507
  424    H    ASN  52           H        ASN  52   2.576   6.624   6.267
  425    HA   ASN  52           HA       ASN  52   5.297   5.586   6.314
  426   1HB   ASN  52          2HB       ASN  52   4.016   5.650   8.776
  427   2HB   ASN  52          1HB       ASN  52   3.675   4.018   8.204
  428   1HD2  ASN  52          2HD2      ASN  52   7.507   5.069   9.172
  429   2HD2  ASN  52          1HD2      ASN  52   6.297   6.255   9.072
  430    H    PHE  53           H        PHE  53   5.213   3.134   5.847
  431    HA   PHE  53           HA       PHE  53   3.616   2.601   3.587
  432   1HB   PHE  53          2HB       PHE  53   4.150   0.153   4.076
  433   2HB   PHE  53          1HB       PHE  53   5.539   1.229   3.943
  434    HD1  PHE  53           HD1      PHE  53   3.269  -0.436   6.390
  435    HD2  PHE  53           HD2      PHE  53   7.029   1.543   5.762
  436    HE1  PHE  53           HE1      PHE  53   3.986  -1.074   8.676
  437    HE2  PHE  53           HE2      PHE  53   7.745   0.905   8.050
  438    HZ   PHE  53           HZ       PHE  53   6.225  -0.404   9.507
  439    H    ALA  54           H        ALA  54   2.899   2.087   6.992
  440    HA   ALA  54           HA       ALA  54   0.577   0.428   6.621
  441   1HB   ALA  54          1HB       ALA  54   1.991   1.137   8.794
  442   2HB   ALA  54          3HB       ALA  54   0.688   2.318   8.927
  443   3HB   ALA  54          2HB       ALA  54   0.318   0.593   8.905
  444    H    SER  55           H        SER  55   1.024   3.947   6.951
  445    HA   SER  55           HA       SER  55  -1.757   4.635   6.831
  446   1HB   SER  55          2HB       SER  55   0.581   6.310   5.873
  447   2HB   SER  55          1HB       SER  55  -1.002   6.893   6.380
  448    HG   SER  55           HG       SER  55   0.706   6.993   8.001
  449    H    PHE  56           H        PHE  56   0.609   3.841   4.369
  450    HA   PHE  56           HA       PHE  56  -0.770   4.914   2.095
  451   1HB   PHE  56          2HB       PHE  56   1.642   3.984   2.252
  452   2HB   PHE  56          1HB       PHE  56   0.905   2.395   2.062
  453    HD1  PHE  56           HD2      PHE  56   0.115   5.713   0.514
  454    HD2  PHE  56           HD1      PHE  56   1.318   1.642  -0.113
  455    HE1  PHE  56           HE2      PHE  56   0.018   6.065  -1.943
  456    HE2  PHE  56           HE1      PHE  56   1.221   1.990  -2.568
  457    HZ   PHE  56           HZ       PHE  56   0.570   4.202  -3.483
  458    H    VAL  57           H        VAL  57  -0.707   1.637   3.478
  459    HA   VAL  57           HA       VAL  57  -2.677   0.515   1.735
  460    HB   VAL  57           HB       VAL  57  -2.052  -0.262   4.604
  461   1HG1  VAL  57          2HG1      VAL  57  -3.348  -1.732   2.292
  462   2HG1  VAL  57          1HG1      VAL  57  -2.768  -2.534   3.751
  463   3HG1  VAL  57          3HG1      VAL  57  -4.070  -1.349   3.855
  464   1HG2  VAL  57          3HG2      VAL  57  -0.218  -0.130   2.627
  465   2HG2  VAL  57          2HG2      VAL  57  -0.195  -1.392   3.857
  466   3HG2  VAL  57          1HG2      VAL  57  -0.901  -1.716   2.274
  467    H    ARG  58           H        ARG  58  -2.942   2.524   4.593
  468    HA   ARG  58           HA       ARG  58  -5.672   1.942   5.255
  469   1HB   ARG  58          2HB       ARG  58  -3.843   3.296   6.553
  470   2HB   ARG  58          1HB       ARG  58  -4.457   4.665   5.628
  471   1HG   ARG  58          2HG       ARG  58  -6.569   4.562   6.616
  472   2HG   ARG  58          1HG       ARG  58  -6.387   2.864   7.058
  473   1HD   ARG  58          2HD       ARG  58  -4.527   3.607   8.637
  474   2HD   ARG  58          1HD       ARG  58  -5.066   5.261   8.343
  475    HE   ARG  58           HE       ARG  58  -6.887   4.835   9.769
  476   1HH1  ARG  58          1HH1      ARG  58  -6.235   1.024  10.277
  477   2HH1  ARG  58          2HH1      ARG  58  -4.969   2.163   9.959
  478   1HH2  ARG  58          1HH2      ARG  58  -8.789   3.260   9.573
  479   2HH2  ARG  58          2HH2      ARG  58  -8.398   1.644  10.059
  480    H    GLN  59           H        GLN  59  -4.302   4.716   3.439
  481    HA   GLN  59           HA       GLN  59  -6.761   5.832   2.582
  482   1HB   GLN  59          2HB       GLN  59  -3.962   5.879   1.485
  483   2HB   GLN  59          1HB       GLN  59  -5.274   6.608   0.568
  484   1HG   GLN  59          2HG       GLN  59  -4.177   8.283   1.991
  485   2HG   GLN  59          1HG       GLN  59  -5.843   8.027   2.503
  486   1HE2  GLN  59          2HE2      GLN  59  -4.942   6.589   5.638
  487   2HE2  GLN  59          1HE2      GLN  59  -6.193   6.765   4.505
  488    H    LEU  60           H        LEU  60  -4.641   3.546   0.830
  489    HA   LEU  60           HA       LEU  60  -6.240   3.233  -1.479
  490   1HB   LEU  60          2HB       LEU  60  -4.394   1.286  -0.084
  491   2HB   LEU  60          1HB       LEU  60  -5.074   1.010  -1.681
  492    HG   LEU  60           HG       LEU  60  -3.575   3.546  -1.049
  493   1HD1  LEU  60          2HD1      LEU  60  -2.217   1.425  -0.552
  494   2HD1  LEU  60          1HD1      LEU  60  -2.329   1.083  -2.279
  495   3HD1  LEU  60          3HD1      LEU  60  -1.520   2.547  -1.720
  496   1HD2  LEU  60          1HD2      LEU  60  -4.999   3.341  -3.114
  497   2HD2  LEU  60          3HD2      LEU  60  -3.294   3.621  -3.460
  498   3HD2  LEU  60          2HD2      LEU  60  -3.973   2.003  -3.630
  499    H    ASN  61           H        ASN  61  -6.556   1.720   1.691
  500    HA   ASN  61           HA       ASN  61  -8.531  -0.228   0.747
  501   1HB   ASN  61          2HB       ASN  61  -7.173   0.408   3.310
  502   2HB   ASN  61          1HB       ASN  61  -8.774  -0.322   3.439
  503   1HD2  ASN  61          2HD2      ASN  61  -7.654  -3.519   2.474
  504   2HD2  ASN  61          1HD2      ASN  61  -8.933  -2.561   3.047
  505    H    MET  62           H        MET  62  -8.614   3.021   1.991
  506    HA   MET  62           HA       MET  62 -11.441   2.835   2.787
  507   1HB   MET  62          2HB       MET  62  -9.289   4.886   2.951
  508   2HB   MET  62          1HB       MET  62 -10.951   5.471   2.892
  509   1HG   MET  62          2HG       MET  62 -10.023   3.323   4.812
  510   2HG   MET  62          1HG       MET  62 -10.068   5.037   5.226
  511   1HE   MET  62          1HE       MET  62 -11.177   4.344   7.098
  512   2HE   MET  62          3HE       MET  62 -12.384   5.615   6.857
  513   3HE   MET  62          2HE       MET  62 -12.890   3.984   7.290
  514    H    TYR  63           H        TYR  63  -9.729   3.465  -0.133
  515    HA   TYR  63           HA       TYR  63 -12.001   5.041  -1.230
  516   1HB   TYR  63          2HB       TYR  63  -9.221   4.468  -2.284
  517   2HB   TYR  63          1HB       TYR  63 -10.457   5.316  -3.216
  518    HD1  TYR  63           HD2      TYR  63 -11.735   7.209  -1.747
  519    HD2  TYR  63           HD1      TYR  63  -7.727   5.811  -1.109
  520    HE1  TYR  63           HE2      TYR  63 -11.193   9.311  -0.548
  521    HE2  TYR  63           HE1      TYR  63  -7.186   7.907   0.098
  522    HH   TYR  63           HH       TYR  63  -8.367   9.676   1.319
  523    H    GLY  64           H        GLY  64 -10.249   1.991  -1.711
  524   1HA   GLY  64          2HA       GLY  64 -12.270   0.344  -2.469
  525   2HA   GLY  64          1HA       GLY  64 -11.993   1.242  -3.961
  526    H    TRP  65           H        TRP  65  -9.049   1.466  -3.239
  527    HA   TRP  65           HA       TRP  65  -8.111  -0.800  -4.707
  528   1HB   TRP  65          2HB       TRP  65  -6.635   1.081  -2.839
  529   2HB   TRP  65          1HB       TRP  65  -5.850  -0.071  -3.920
  530    HD1  TRP  65           HD1      TRP  65  -7.428   3.317  -3.829
  531    HE1  TRP  65           HE1      TRP  65  -7.387   4.369  -6.182
  532    HE3  TRP  65           HE3      TRP  65  -6.022  -0.747  -6.588
  533    HZ2  TRP  65           HZ2      TRP  65  -6.834   3.589  -8.877
  534    HZ3  TRP  65           HZ3      TRP  65  -5.746  -0.563  -9.045
  535    HH2  TRP  65           HH2      TRP  65  -6.150   1.598 -10.190
  536    H    HIS  66           H        HIS  66  -8.598  -2.801  -3.849
  537    HA   HIS  66           HA       HIS  66  -7.744  -3.314  -1.027
  538   1HB   HIS  66          2HB       HIS  66  -9.829  -4.720  -2.725
  539   2HB   HIS  66          1HB       HIS  66  -9.358  -5.219  -1.102
  540    HD1  HIS  66           HD1      HIS  66 -11.747  -3.132  -2.816
  541    HD2  HIS  66           HD2      HIS  66  -9.773  -2.935   0.851
  542    HE1  HIS  66           HE1      HIS  66 -13.051  -1.495  -1.388
  543    H    LYS  67           H        LYS  67  -7.563  -6.032  -1.029
  544    HA   LYS  67           HA       LYS  67  -5.766  -6.774  -3.280
  545   1HB   LYS  67          2HB       LYS  67  -4.214  -7.816  -1.528
  546   2HB   LYS  67          1HB       LYS  67  -4.180  -6.057  -1.649
  547   1HG   LYS  67          2HG       LYS  67  -5.180  -5.759   0.396
  548   2HG   LYS  67          1HG       LYS  67  -6.154  -7.220   0.252
  549   1HD   LYS  67          2HD       LYS  67  -4.518  -7.613   1.980
  550   2HD   LYS  67          1HD       LYS  67  -4.037  -8.561   0.572
  551   1HE   LYS  67          2HE       LYS  67  -2.961  -5.803   0.655
  552   2HE   LYS  67          1HE       LYS  67  -2.359  -6.876   1.915
  553   1HZ   LYS  67          2HZ       LYS  67  -2.376  -8.275  -0.528
  554   2HZ   LYS  67          1HZ       LYS  67  -1.605  -6.782  -0.771
  555   3HZ   LYS  67          3HZ       LYS  67  -1.046  -7.835   0.434
  556    H    VAL  68           H        VAL  68  -7.236  -8.287  -4.047
  557    HA   VAL  68           HA       VAL  68  -7.828 -10.572  -2.210
  558    HB   VAL  68           HB       VAL  68  -9.875  -9.278  -2.750
  559   1HG1  VAL  68          2HG1      VAL  68  -8.786  -8.762  -5.153
  560   2HG1  VAL  68          1HG1      VAL  68  -9.780 -10.146  -5.599
  561   3HG1  VAL  68          3HG1      VAL  68 -10.526  -8.719  -4.882
  562   1HG2  VAL  68          1HG2      VAL  68  -9.719 -11.979  -4.123
  563   2HG2  VAL  68          3HG2      VAL  68 -10.048 -11.708  -2.411
  564   3HG2  VAL  68          2HG2      VAL  68 -11.207 -11.173  -3.628
  565    H    GLN  69           H        GLN  69  -6.751 -12.362  -2.859
  566    HA   GLN  69           HA       GLN  69  -6.842 -13.503  -5.435
  567   1HB   GLN  69          2HB       GLN  69  -4.413 -13.056  -6.137
  568   2HB   GLN  69          1HB       GLN  69  -5.552 -11.735  -6.371
  569   1HG   GLN  69          2HG       GLN  69  -4.378 -10.394  -4.991
  570   2HG   GLN  69          1HG       GLN  69  -4.427 -11.596  -3.704
  571   1HE2  GLN  69          2HE2      GLN  69  -1.324 -12.178  -6.329
  572   2HE2  GLN  69          1HE2      GLN  69  -2.901 -11.983  -6.928
  573    H    ASP  70           H        ASP  70  -4.957 -13.053  -2.478
  574    HA   ASP  70           HA       ASP  70  -4.411 -15.986  -2.501
  575   1HB   ASP  70          2HB       ASP  70  -2.469 -13.992  -2.834
  576   2HB   ASP  70          1HB       ASP  70  -2.334 -14.444  -1.136
  577    H    VAL  71           H        VAL  71  -3.041 -15.894   0.059
  578    HA   VAL  71           HA       VAL  71  -3.494 -15.908   2.350
  579    HB   VAL  71           HB       VAL  71  -5.627 -13.832   1.777
  580   1HG1  VAL  71          3HG1      VAL  71  -4.205 -14.881   4.186
  581   2HG1  VAL  71          2HG1      VAL  71  -4.602 -13.163   4.146
  582   3HG1  VAL  71          1HG1      VAL  71  -5.883 -14.367   4.008
  583   1HG2  VAL  71          1HG2      VAL  71  -3.458 -13.162   0.776
  584   2HG2  VAL  71          3HG2      VAL  71  -3.865 -12.156   2.167
  585   3HG2  VAL  71          2HG2      VAL  71  -2.667 -13.442   2.329
  586    H    LYS  72           H        LYS  72  -4.545 -17.532   3.318
  587    HA   LYS  72           HA       LYS  72  -7.412 -18.012   2.660
  588   1HB   LYS  72          2HB       LYS  72  -6.934 -20.463   2.591
  589   2HB   LYS  72          1HB       LYS  72  -6.102 -19.586   1.310
  590   1HG   LYS  72          2HG       LYS  72  -4.076 -19.477   2.816
  591   2HG   LYS  72          1HG       LYS  72  -4.914 -20.571   3.916
  592   1HD   LYS  72          2HD       LYS  72  -3.708 -22.082   2.617
  593   2HD   LYS  72          1HD       LYS  72  -5.242 -22.031   1.746
  594   1HE   LYS  72          2HE       LYS  72  -3.574 -21.764   0.071
  595   2HE   LYS  72          1HE       LYS  72  -4.204 -20.141   0.351
  596   1HZ   LYS  72          3HZ       LYS  72  -1.795 -21.236   1.694
  597   2HZ   LYS  72          2HZ       LYS  72  -1.745 -20.279   0.291
  598   3HZ   LYS  72          1HZ       LYS  72  -2.354 -19.635   1.740
  599    H    SER  73           H        SER  73  -7.763 -20.251   4.336
  600    HA   SER  73           HA       SER  73  -8.056 -19.060   6.899
  601   1HB   SER  73          2HB       SER  73  -8.502 -21.368   7.693
  602   2HB   SER  73          1HB       SER  73  -9.364 -21.015   6.199
  603    HG   SER  73           HG       SER  73  -8.402 -22.803   5.595
  604    H    GLY  74           H        GLY  74  -5.576 -21.352   5.722
  605   1HA   GLY  74          2HA       GLY  74  -4.105 -21.454   8.188
  606   2HA   GLY  74          1HA       GLY  74  -3.469 -21.900   6.604
  607    H    SER  75           H        SER  75  -3.863 -19.398   5.307
  608    HA   SER  75           HA       SER  75  -2.733 -17.377   4.955
  609   1HB   SER  75          2HB       SER  75  -2.552 -17.194   7.967
  610   2HB   SER  75          1HB       SER  75  -2.576 -15.871   6.805
  611    HG   SER  75           HG       SER  75  -4.670 -17.707   7.372
  612    H    MET  76           H        MET  76  -0.855 -18.344   4.069
  613    HA   MET  76           HA       MET  76   1.487 -18.381   5.926
  614   1HB   MET  76          2HB       MET  76   1.051 -20.275   3.595
  615   2HB   MET  76          1HB       MET  76   2.404 -20.292   4.727
  616   1HG   MET  76          2HG       MET  76   0.756 -20.676   6.587
  617   2HG   MET  76          1HG       MET  76  -0.505 -20.845   5.367
  618   1HE   MET  76          3HE       MET  76  -0.433 -22.171   3.490
  619   2HE   MET  76          2HE       MET  76   0.226 -23.798   3.349
  620   3HE   MET  76          1HE       MET  76  -1.083 -23.482   4.485
  621    H    LEU  77           H        LEU  77   1.976 -16.231   5.204
  622    HA   LEU  77           HA       LEU  77   2.456 -15.809   2.322
  623   1HB   LEU  77          2HB       LEU  77   1.730 -14.155   4.504
  624   2HB   LEU  77          1HB       LEU  77   3.324 -13.609   3.999
  625    HG   LEU  77           HG       LEU  77   1.573 -12.412   2.763
  626   1HD1  LEU  77          1HD1      LEU  77   3.754 -13.044   1.651
  627   2HD1  LEU  77          3HD1      LEU  77   2.907 -14.407   0.916
  628   3HD1  LEU  77          2HD1      LEU  77   2.418 -12.755   0.537
  629   1HD2  LEU  77          2HD2      LEU  77   0.134 -14.704   2.905
  630   2HD2  LEU  77          1HD2      LEU  77  -0.203 -13.427   1.737
  631   3HD2  LEU  77          3HD2      LEU  77   0.746 -14.833   1.256
  632    H    SER  78           H        SER  78   4.152 -17.720   2.925
  633    HA   SER  78           HA       SER  78   6.789 -16.345   3.217
  634   1HB   SER  78          2HB       SER  78   6.488 -19.181   4.121
  635   2HB   SER  78          1HB       SER  78   7.592 -17.935   4.697
  636    HG   SER  78           HG       SER  78   6.168 -17.791   6.249
  637    H    ASN  79           H        ASN  79   5.357 -16.968   0.788
  638    HA   ASN  79           HA       ASN  79   6.971 -19.234  -0.307
  639   1HB   ASN  79          2HB       ASN  79   4.515 -17.914  -1.503
  640   2HB   ASN  79          1HB       ASN  79   5.318 -19.372  -2.087
  641   1HD2  ASN  79          2HD2      ASN  79   2.528 -19.735   0.756
  642   2HD2  ASN  79          1HD2      ASN  79   2.752 -18.323  -0.158
  643    H    ASN  80           H        ASN  80   5.589 -16.178  -1.576
  644    HA   ASN  80           HA       ASN  80   7.806 -15.901  -3.463
  645   1HB   ASN  80          2HB       ASN  80   5.374 -14.257  -2.785
  646   2HB   ASN  80          1HB       ASN  80   6.636 -13.610  -3.832
  647   1HD2  ASN  80          2HD2      ASN  80   4.099 -16.454  -5.252
  648   2HD2  ASN  80          1HD2      ASN  80   4.007 -15.927  -3.641
  649    H    ASP  81           H        ASP  81   8.986 -13.721  -3.541
  650    HA   ASP  81           HA       ASP  81   9.741 -12.902  -0.762
  651   1HB   ASP  81          2HB       ASP  81  11.506 -14.159  -2.050
  652   2HB   ASP  81          1HB       ASP  81  11.506 -12.847  -3.228
  653    H    SER  82           H        SER  82   8.676 -10.977  -0.471
  654    HA   SER  82           HA       SER  82   8.065  -8.737  -0.801
  655   1HB   SER  82          2HB       SER  82  10.148  -8.410  -2.918
  656   2HB   SER  82          1HB       SER  82   9.737  -7.344  -1.576
  657    HG   SER  82           HG       SER  82  10.750  -8.801  -0.181
  658    H    ARG  83           H        ARG  83   6.072  -9.453  -1.839
  659    HA   ARG  83           HA       ARG  83   5.810  -8.428  -4.561
  660   1HB   ARG  83          2HB       ARG  83   6.637 -10.829  -4.803
  661   2HB   ARG  83          1HB       ARG  83   5.108 -11.333  -4.083
  662   1HG   ARG  83          2HG       ARG  83   4.448 -11.365  -6.277
  663   2HG   ARG  83          1HG       ARG  83   4.157  -9.656  -5.957
  664   1HD   ARG  83          2HD       ARG  83   5.614  -9.149  -7.596
  665   2HD   ARG  83          1HD       ARG  83   6.902  -9.870  -6.630
  666    HE   ARG  83           HE       ARG  83   5.337 -11.811  -8.172
  667   1HH1  ARG  83          1HH2      ARG  83   8.393 -11.273  -7.275
  668   2HH1  ARG  83          2HH2      ARG  83   9.126 -11.377  -8.841
  669   1HH2  ARG  83          2HH1      ARG  83   6.112 -11.246 -10.553
  670   2HH2  ARG  83          1HH1      ARG  83   7.834 -11.362 -10.695
  671    H    TRP  84           H        TRP  84   4.131  -7.087  -3.941
  672    HA   TRP  84           HA       TRP  84   1.811  -8.337  -2.526
  673   1HB   TRP  84          2HB       TRP  84   2.730  -5.458  -2.738
  674   2HB   TRP  84          1HB       TRP  84   1.164  -5.922  -2.076
  675    HD1  TRP  84           HD1      TRP  84   4.806  -7.149  -1.543
  676    HE1  TRP  84           HE1      TRP  84   5.190  -7.408   0.992
  677    HE3  TRP  84           HE3      TRP  84   0.218  -5.733   0.191
  678    HZ2  TRP  84           HZ2      TRP  84   3.735  -7.064   3.439
  679    HZ3  TRP  84           HZ3      TRP  84  -0.258  -5.709   2.623
  680    HH2  TRP  84           HH2      TRP  84   1.492  -6.373   4.248
  681    H    GLU  85           H        GLU  85  -0.352  -7.631  -3.269
  682    HA   GLU  85           HA       GLU  85  -0.394  -6.727  -6.114
  683   1HB   GLU  85          2HB       GLU  85  -1.268  -9.293  -5.017
  684   2HB   GLU  85          1HB       GLU  85  -2.576  -8.462  -5.858
  685   1HG   GLU  85          2HG       GLU  85   0.060  -8.433  -7.225
  686   2HG   GLU  85          1HG       GLU  85  -0.743 -10.001  -7.129
  687    H    PHE  86           H        PHE  86  -2.410  -5.684  -6.726
  688    HA   PHE  86           HA       PHE  86  -4.185  -4.902  -4.464
  689   1HB   PHE  86          2HB       PHE  86  -2.796  -3.018  -6.395
  690   2HB   PHE  86          1HB       PHE  86  -4.135  -2.539  -5.353
  691    HD1  PHE  86           HD2      PHE  86  -0.711  -4.042  -5.272
  692    HD2  PHE  86           HD1      PHE  86  -3.750  -1.911  -3.112
  693    HE1  PHE  86           HE2      PHE  86   0.872  -3.686  -3.399
  694    HE2  PHE  86           HE1      PHE  86  -2.166  -1.554  -1.237
  695    HZ   PHE  86           HZ       PHE  86   0.147  -2.441  -1.381
  696    H    GLU  87           H        GLU  87  -6.047  -5.874  -5.221
  697    HA   GLU  87           HA       GLU  87  -6.793  -5.448  -8.079
  698   1HB   GLU  87          2HB       GLU  87  -7.305  -7.583  -6.083
  699   2HB   GLU  87          1HB       GLU  87  -8.664  -7.189  -7.136
  700   1HG   GLU  87          2HG       GLU  87  -7.018  -7.373  -9.088
  701   2HG   GLU  87          1HG       GLU  87  -5.898  -8.108  -7.942
  702    H    ASN  88           H        ASN  88  -9.016  -4.822  -8.549
  703    HA   ASN  88           HA       ASN  88 -10.079  -2.916  -6.548
  704   1HB   ASN  88          2HB       ASN  88 -10.213  -3.242  -9.475
  705   2HB   ASN  88          1HB       ASN  88 -11.756  -2.793  -8.749
  706   1HD2  ASN  88          2HD2      ASN  88  -8.706  -0.094  -8.844
  707   2HD2  ASN  88          1HD2      ASN  88  -8.463  -1.690  -9.366
  708    H    GLU  89           H        GLU  89 -11.657  -3.593  -5.173
  709    HA   GLU  89           HA       GLU  89 -13.338  -5.919  -6.009
  710   1HB   GLU  89          2HB       GLU  89 -11.815  -5.978  -3.883
  711   2HB   GLU  89          1HB       GLU  89 -13.079  -4.980  -3.164
  712   1HG   GLU  89          2HG       GLU  89 -13.811  -7.143  -2.642
  713   2HG   GLU  89          1HG       GLU  89 -14.700  -6.800  -4.125
  714    H    ARG  90           H        ARG  90 -13.416  -2.667  -4.619
  715    HA   ARG  90           HA       ARG  90 -15.177  -1.154  -4.354
  716   1HB   ARG  90          2HB       ARG  90 -16.368  -2.934  -6.501
  717   2HB   ARG  90          1HB       ARG  90 -17.095  -1.419  -5.968
  718   1HG   ARG  90          2HG       ARG  90 -15.336  -0.125  -6.822
  719   2HG   ARG  90          1HG       ARG  90 -14.217  -1.489  -6.845
  720   1HD   ARG  90          2HD       ARG  90 -16.685  -1.339  -8.591
  721   2HD   ARG  90          1HD       ARG  90 -15.090  -0.806  -9.122
  722    HE   ARG  90           HE       ARG  90 -15.107  -3.534  -8.077
  723   1HH1  ARG  90          1HH2      ARG  90 -13.327  -2.469 -10.273
  724   2HH1  ARG  90          2HH2      ARG  90 -13.986  -3.256 -11.669
  725   1HH2  ARG  90          2HH1      ARG  90 -16.952  -4.133 -10.099
  726   2HH2  ARG  90          1HH1      ARG  90 -16.040  -4.200 -11.570
  727    H    HIS  91           H        HIS  91 -17.466  -3.775  -5.072
  728    HA   HIS  91           HA       HIS  91 -17.891  -4.423  -2.257
  729   1HB   HIS  91          2HB       HIS  91 -19.091  -2.152  -2.833
  730   2HB   HIS  91          1HB       HIS  91 -20.259  -3.197  -3.644
  731    HD1  HIS  91           HD1      HIS  91 -22.081  -2.701  -1.839
  732    HD2  HIS  91           HD2      HIS  91 -18.635  -4.490  -0.321
  733    HE1  HIS  91           HE1      HIS  91 -22.645  -3.466   0.509
  734    H    ALA  92           HN       ALA  92 -19.823  -4.361  -5.278
  735    HA   ALA  92           HA       ALA  92 -19.598  -7.241  -5.620
  736   1HB   ALA  92          1HB       ALA  92 -21.282  -7.010  -3.743
  737   2HB   ALA  92          3HB       ALA  92 -22.330  -6.162  -4.881
  738   3HB   ALA  92          2HB       ALA  92 -21.889  -7.844  -5.175
   
  No H/Q in entry =         738
  Start of MODEL          16
 Raw file had  756 H/Q atoms
  Start of MODEL   16
    1   1H    ALA   1          3H        ALA   1 -16.713  14.412  -7.066
    2   2H    ALA   1          2H        ALA   1 -17.845  13.467  -7.909
    3   3H    ALA   1          1H        ALA   1 -18.347  14.442  -6.612
    4    HA   ALA   1           HA       ALA   1 -17.489  13.055  -5.021
    5   1HB   ALA   1          3HB       ALA   1 -18.187  11.257  -7.364
    6   2HB   ALA   1          2HB       ALA   1 -18.132  10.751  -5.676
    7   3HB   ALA   1          1HB       ALA   1 -19.331  11.931  -6.204
    8    H    ARG   2           H        ARG   2 -15.148  14.030  -5.888
    9    HA   ARG   2           HA       ARG   2 -13.452  11.594  -6.129
   10   1HB   ARG   2          2HB       ARG   2 -13.406  14.052  -7.851
   11   2HB   ARG   2          1HB       ARG   2 -11.909  13.165  -7.556
   12   1HG   ARG   2          2HG       ARG   2 -12.797  11.158  -8.498
   13   2HG   ARG   2          1HG       ARG   2 -14.439  11.802  -8.499
   14   1HD   ARG   2          2HD       ARG   2 -13.687  13.558 -10.124
   15   2HD   ARG   2          1HD       ARG   2 -12.120  12.750 -10.205
   16    HE   ARG   2           HE       ARG   2 -13.386  10.735 -11.076
   17   1HH1  ARG   2          2HH1      ARG   2 -15.871  10.510 -11.467
   18   2HH1  ARG   2          1HH1      ARG   2 -16.454  11.646 -12.635
   19   1HH2  ARG   2          1HH2      ARG   2 -13.645  13.668 -12.465
   20   2HH2  ARG   2          2HH2      ARG   2 -15.196  13.433 -13.201
   21    HA   PRO   3           HA       PRO   3 -11.421  14.006  -3.011
   22   1HB   PRO   3          2HB       PRO   3  -9.875  12.026  -1.916
   23   2HB   PRO   3          1HB       PRO   3 -11.610  12.197  -1.599
   24   1HG   PRO   3          2HG       PRO   3 -10.204  10.193  -3.277
   25   2HG   PRO   3          1HG       PRO   3 -11.781  10.084  -2.482
   26   1HD   PRO   3          2HD       PRO   3 -11.309  10.611  -5.234
   27   2HD   PRO   3          1HD       PRO   3 -12.861  10.724  -4.383
   28    H    ALA   4           H        ALA   4  -9.228  14.733  -2.450
   29    HA   ALA   4           HA       ALA   4  -7.511  15.070  -4.723
   30   1HB   ALA   4          1HB       ALA   4  -7.614  16.693  -2.862
   31   2HB   ALA   4          3HB       ALA   4  -6.898  15.496  -1.784
   32   3HB   ALA   4          2HB       ALA   4  -5.963  16.138  -3.135
   33    H    PHE   5           H        PHE   5  -7.788  12.473  -2.458
   34    HA   PHE   5           HA       PHE   5  -5.011  11.603  -2.644
   35   1HB   PHE   5          2HB       PHE   5  -6.567  11.015  -0.737
   36   2HB   PHE   5          1HB       PHE   5  -7.412   9.937  -1.849
   37    HD1  PHE   5           HD2      PHE   5  -3.954  10.720  -0.633
   38    HD2  PHE   5           HD1      PHE   5  -6.667   7.729  -2.093
   39    HE1  PHE   5           HE2      PHE   5  -2.232   8.977  -0.256
   40    HE2  PHE   5           HE1      PHE   5  -4.946   5.984  -1.716
   41    HZ   PHE   5           HZ       PHE   5  -2.727   6.608  -0.797
   42    H    VAL   6           H        VAL   6  -8.084  10.653  -4.189
   43    HA   VAL   6           HA       VAL   6  -6.910   8.559  -5.790
   44    HB   VAL   6           HB       VAL   6  -9.407  10.202  -6.340
   45   1HG1  VAL   6          1HG1      VAL   6  -8.143   7.820  -7.594
   46   2HG1  VAL   6          3HG1      VAL   6  -9.889   7.741  -7.358
   47   3HG1  VAL   6          2HG1      VAL   6  -9.185   9.047  -8.311
   48   1HG2  VAL   6          2HG2      VAL   6  -9.043   8.795  -4.098
   49   2HG2  VAL   6          1HG2      VAL   6 -10.590   8.783  -4.943
   50   3HG2  VAL   6          3HG2      VAL   6  -9.455   7.452  -5.165
   51    H    ASN   7           H        ASN   7  -7.250  12.042  -6.144
   52    HA   ASN   7           HA       ASN   7  -6.483  12.071  -8.960
   53   1HB   ASN   7          2HB       ASN   7  -6.834  14.180  -6.834
   54   2HB   ASN   7          1HB       ASN   7  -6.134  14.583  -8.402
   55   1HD2  ASN   7          2HD2      ASN   7 -10.041  13.265  -8.362
   56   2HD2  ASN   7          1HD2      ASN   7  -8.963  12.665  -7.197
   57    H    LYS   8           H        LYS   8  -4.777  12.262  -5.879
   58    HA   LYS   8           HA       LYS   8  -2.261  13.026  -7.227
   59   1HB   LYS   8          2HB       LYS   8  -1.331  13.320  -5.051
   60   2HB   LYS   8          1HB       LYS   8  -2.978  13.928  -4.939
   61   1HG   LYS   8          2HG       LYS   8  -3.610  11.569  -4.111
   62   2HG   LYS   8          1HG       LYS   8  -1.886  11.303  -3.903
   63   1HD   LYS   8          2HD       LYS   8  -3.637  13.339  -2.501
   64   2HD   LYS   8          1HD       LYS   8  -2.714  12.028  -1.775
   65   1HE   LYS   8          2HE       LYS   8  -1.532  14.465  -3.153
   66   2HE   LYS   8          1HE       LYS   8  -1.594  14.199  -1.414
   67   1HZ   LYS   8          2HZ       LYS   8  -0.415  11.980  -2.773
   68   2HZ   LYS   8          1HZ       LYS   8   0.410  13.424  -3.116
   69   3HZ   LYS   8          3HZ       LYS   8   0.205  12.929  -1.509
   70    H    LEU   9           H        LEU   9  -3.910  10.138  -6.490
   71    HA   LEU   9           HA       LEU   9  -1.539   8.481  -6.057
   72   1HB   LEU   9          2HB       LEU   9  -3.712   7.894  -5.040
   73   2HB   LEU   9          1HB       LEU   9  -4.425   7.740  -6.643
   74    HG   LEU   9           HG       LEU   9  -2.798   5.932  -7.164
   75   1HD1  LEU   9          2HD1      LEU   9  -1.935   6.532  -4.335
   76   2HD1  LEU   9          1HD1      LEU   9  -1.655   4.949  -5.061
   77   3HD1  LEU   9          3HD1      LEU   9  -0.936   6.388  -5.782
   78   1HD2  LEU   9          3HD2      LEU   9  -4.606   5.684  -4.756
   79   2HD2  LEU   9          2HD2      LEU   9  -4.913   5.161  -6.414
   80   3HD2  LEU   9          1HD2      LEU   9  -3.752   4.289  -5.414
   81    H    TRP  10           H        TRP  10  -3.632   9.388  -8.735
   82    HA   TRP  10           HA       TRP  10  -2.659   7.411 -10.604
   83   1HB   TRP  10          2HB       TRP  10  -4.257   9.930 -10.766
   84   2HB   TRP  10          1HB       TRP  10  -3.537   9.311 -12.249
   85    HD1  TRP  10           HD1      TRP  10  -6.148   8.934 -12.974
   86    HE1  TRP  10           HE1      TRP  10  -7.669   6.889 -12.618
   87    HE3  TRP  10           HE3      TRP  10  -3.640   6.566  -9.173
   88    HZ2  TRP  10           HZ2      TRP  10  -7.808   4.567 -10.971
   89    HZ3  TRP  10           HZ3      TRP  10  -4.495   4.448  -8.248
   90    HH2  TRP  10           HH2      TRP  10  -6.576   3.443  -9.136
   91    H    SER  11           H        SER  11  -1.100  10.131  -9.259
   92    HA   SER  11           HA       SER  11   0.573  10.534 -11.683
   93   1HB   SER  11          2HB       SER  11  -0.294  12.218  -9.481
   94   2HB   SER  11          1HB       SER  11   1.458  12.268  -9.658
   95    HG   SER  11           HG       SER  11  -0.513  13.249 -11.278
   96    H    MET  12           H        MET  12   0.830   9.579  -8.257
   97    HA   MET  12           HA       MET  12   3.722   9.236  -8.418
   98   1HB   MET  12          2HB       MET  12   3.544   8.324  -6.152
   99   2HB   MET  12          1HB       MET  12   2.594   9.801  -6.282
  100   1HG   MET  12          2HG       MET  12   0.999   8.482  -5.284
  101   2HG   MET  12          1HG       MET  12   0.687   8.023  -6.957
  102   1HE   MET  12          1HE       MET  12   3.069   7.707  -4.264
  103   2HE   MET  12          3HE       MET  12   2.613   6.178  -3.498
  104   3HE   MET  12          2HE       MET  12   3.960   6.233  -4.632
  105    H    VAL  13           H        VAL  13   0.910   7.106  -8.725
  106    HA   VAL  13           HA       VAL  13   2.308   4.619  -8.588
  107    HB   VAL  13           HB       VAL  13  -0.171   5.273 -10.216
  108   1HG1  VAL  13          2HG1      VAL  13   1.059   3.087 -10.682
  109   2HG1  VAL  13          1HG1      VAL  13   0.692   2.627  -9.019
  110   3HG1  VAL  13          3HG1      VAL  13  -0.618   2.916 -10.166
  111   1HG2  VAL  13          2HG2      VAL  13  -0.047   5.744  -7.625
  112   2HG2  VAL  13          1HG2      VAL  13  -1.443   4.895  -8.290
  113   3HG2  VAL  13          3HG2      VAL  13  -0.153   3.988  -7.498
  114    H    ASN  14           H        ASN  14   1.799   6.899 -11.241
  115    HA   ASN  14           HA       ASN  14   3.130   5.102 -13.157
  116   1HB   ASN  14          2HB       ASN  14   1.998   7.904 -13.391
  117   2HB   ASN  14          1HB       ASN  14   2.839   7.099 -14.715
  118   1HD2  ASN  14          2HD2      ASN  14   0.122   4.974 -15.502
  119   2HD2  ASN  14          1HD2      ASN  14   1.733   5.395 -15.833
  120    H    ASP  15           H        ASP  15   4.021   8.487 -13.367
  121    HA   ASP  15           HA       ASP  15   6.096   9.533 -13.183
  122   1HB   ASP  15          2HB       ASP  15   5.513   8.678 -10.734
  123   2HB   ASP  15          1HB       ASP  15   6.906   7.633 -11.021
  124    H    LYS  16           H        LYS  16   8.447   9.190 -13.496
  125    HA   LYS  16           HA       LYS  16   8.920   6.776 -15.141
  126   1HB   LYS  16          2HB       LYS  16  10.007   9.507 -15.008
  127   2HB   LYS  16          1HB       LYS  16  11.247   8.274 -15.228
  128   1HG   LYS  16          2HG       LYS  16   8.735   8.445 -16.913
  129   2HG   LYS  16          1HG       LYS  16  10.279   9.154 -17.384
  130   1HD   LYS  16          2HD       LYS  16  11.272   7.103 -17.749
  131   2HD   LYS  16          1HD       LYS  16  10.271   6.289 -16.546
  132   1HE   LYS  16          2HE       LYS  16   9.557   5.521 -18.720
  133   2HE   LYS  16          1HE       LYS  16   8.304   6.593 -18.097
  134   1HZ   LYS  16          2HZ       LYS  16   9.650   8.395 -19.342
  135   2HZ   LYS  16          1HZ       LYS  16  10.280   7.084 -20.222
  136   3HZ   LYS  16          3HZ       LYS  16   8.609   7.379 -20.221
  137    H    SER  17           H        SER  17  10.206   8.389 -12.248
  138    HA   SER  17           HA       SER  17  12.314   6.448 -11.817
  139   1HB   SER  17          2HB       SER  17  12.702   7.588  -9.747
  140   2HB   SER  17          1HB       SER  17  12.256   8.825 -10.917
  141    HG   SER  17           HG       SER  17  11.082   8.224  -8.616
  142    H    ASN  18           H        ASN  18   8.941   6.684 -10.846
  143    HA   ASN  18           HA       ASN  18   9.226   4.444  -8.938
  144   1HB   ASN  18          2HB       ASN  18   6.633   5.723  -9.822
  145   2HB   ASN  18          1HB       ASN  18   6.957   4.841  -8.332
  146   1HD2  ASN  18          2HD2      ASN  18   7.164   8.680  -7.951
  147   2HD2  ASN  18          1HD2      ASN  18   6.066   7.749  -8.850
  148    H    GLU  19           H        GLU  19   8.479   4.889 -12.282
  149    HA   GLU  19           HA       GLU  19   6.673   2.776 -12.780
  150   1HB   GLU  19          2HB       GLU  19   8.097   4.584 -14.325
  151   2HB   GLU  19          1HB       GLU  19   8.782   3.036 -14.814
  152   1HG   GLU  19          2HG       GLU  19   6.629   2.176 -15.424
  153   2HG   GLU  19          1HG       GLU  19   5.800   3.534 -14.663
  154    H    LYS  20           H        LYS  20  10.186   2.686 -12.322
  155    HA   LYS  20           HA       LYS  20  10.534  -0.055 -13.122
  156   1HB   LYS  20          2HB       LYS  20  12.264   1.920 -12.621
  157   2HB   LYS  20          1HB       LYS  20  12.320   1.128 -11.047
  158   1HG   LYS  20          2HG       LYS  20  13.405  -0.699 -11.864
  159   2HG   LYS  20          1HG       LYS  20  12.440  -0.730 -13.340
  160   1HD   LYS  20          2HD       LYS  20  13.818   1.472 -13.885
  161   2HD   LYS  20          1HD       LYS  20  14.974   0.753 -12.763
  162   1HE   LYS  20          2HE       LYS  20  15.183  -1.220 -14.098
  163   2HE   LYS  20          1HE       LYS  20  13.787  -0.783 -15.084
  164   1HZ   LYS  20          1HZ       LYS  20  16.197   0.923 -14.930
  165   2HZ   LYS  20          3HZ       LYS  20  16.059  -0.334 -16.060
  166   3HZ   LYS  20          2HZ       LYS  20  14.955   0.957 -16.088
  167    H    PHE  21           H        PHE  21   9.650   1.464 -10.059
  168    HA   PHE  21           HA       PHE  21   9.751  -1.175  -8.696
  169   1HB   PHE  21          2HB       PHE  21   9.161   1.604  -7.616
  170   2HB   PHE  21          1HB       PHE  21   9.262   0.135  -6.642
  171    HD1  PHE  21           HD1      PHE  21  11.464  -1.282  -6.944
  172    HD2  PHE  21           HD2      PHE  21  11.086   2.872  -7.970
  173    HE1  PHE  21           HE1      PHE  21  13.929  -1.031  -6.837
  174    HE2  PHE  21           HE2      PHE  21  13.550   3.123  -7.861
  175    HZ   PHE  21           HZ       PHE  21  14.972   1.172  -7.295
  176    H    ILE  22           H        ILE  22   7.377   1.473  -8.406
  177    HA   ILE  22           HA       ILE  22   5.210  -0.517  -8.313
  178    HB   ILE  22           HB       ILE  22   5.224   1.416  -6.748
  179   1HG1  ILE  22          2HG1      ILE  22   2.916   1.582  -8.707
  180   2HG1  ILE  22          1HG1      ILE  22   3.097   0.296  -7.514
  181   1HG2  ILE  22          1HG2      ILE  22   6.149   2.965  -8.681
  182   2HG2  ILE  22          3HG2      ILE  22   4.439   3.226  -9.013
  183   3HG2  ILE  22          2HG2      ILE  22   5.104   3.639  -7.435
  184   1HD1  ILE  22          1HD1      ILE  22   2.980   3.255  -6.856
  185   2HD1  ILE  22          3HD1      ILE  22   1.623   2.138  -6.705
  186   3HD1  ILE  22          2HD1      ILE  22   3.054   1.929  -5.695
  187    H    HIS  23           H        HIS  23   4.030  -1.082 -10.081
  188    HA   HIS  23           HA       HIS  23   3.768   0.855 -12.315
  189   1HB   HIS  23          2HB       HIS  23   4.373  -0.877 -13.976
  190   2HB   HIS  23          1HB       HIS  23   5.721  -0.519 -12.900
  191    HD1  HIS  23           HD1      HIS  23   5.791  -2.245 -10.696
  192    HD2  HIS  23           HD2      HIS  23   3.852  -3.581 -14.136
  193    HE1  HIS  23           HE1      HIS  23   5.620  -4.765 -10.494
  194    H    TRP  24           H        TRP  24   2.107   0.090 -13.916
  195    HA   TRP  24           HA       TRP  24  -0.240  -0.923 -12.505
  196   1HB   TRP  24          2HB       TRP  24   0.255  -0.145 -15.397
  197   2HB   TRP  24          1HB       TRP  24  -1.310  -0.682 -14.790
  198    HD1  TRP  24           HD1      TRP  24   1.260   1.798 -13.264
  199    HE1  TRP  24           HE1      TRP  24   0.023   3.990 -12.726
  200    HE3  TRP  24           HE3      TRP  24  -3.392   0.648 -15.034
  201    HZ2  TRP  24           HZ2      TRP  24  -2.590   5.114 -13.007
  202    HZ3  TRP  24           HZ3      TRP  24  -5.234   2.300 -14.888
  203    HH2  TRP  24           HH2      TRP  24  -4.839   4.529 -13.877
  204    H    SER  25           H        SER  25  -1.441  -2.849 -13.249
  205    HA   SER  25           HA       SER  25   0.198  -5.166 -13.531
  206   1HB   SER  25          2HB       SER  25  -2.702  -4.569 -13.640
  207   2HB   SER  25          1HB       SER  25  -2.199  -6.036 -14.474
  208    HG   SER  25           HG       SER  25  -2.379  -6.760 -12.470
  209    H    THR  26           H        THR  26  -2.181  -4.082 -15.966
  210    HA   THR  26           HA       THR  26  -0.195  -4.138 -18.110
  211    HB   THR  26           HB       THR  26  -2.454  -6.131 -18.318
  212    HG1  THR  26           HG1      THR  26   0.218  -6.702 -17.576
  213   1HG2  THR  26          2HG2      THR  26   0.109  -5.560 -19.803
  214   2HG2  THR  26          1HG2      THR  26  -0.721  -7.107 -19.960
  215   3HG2  THR  26          3HG2      THR  26  -1.535  -5.616 -20.439
  216    H    SER  27           H        SER  27  -3.657  -4.267 -17.299
  217    HA   SER  27           HA       SER  27  -4.146  -1.811 -18.816
  218   1HB   SER  27          2HB       SER  27  -4.221  -3.608 -20.563
  219   2HB   SER  27          1HB       SER  27  -5.516  -4.385 -19.655
  220    HG   SER  27           HG       SER  27  -6.856  -2.788 -20.169
  221    H    GLY  28           H        GLY  28  -5.963  -0.768 -18.003
  222   1HA   GLY  28          2HA       GLY  28  -8.163  -0.760 -16.942
  223   2HA   GLY  28          1HA       GLY  28  -7.773  -2.317 -16.209
  224    H    GLU  29           H        GLU  29  -6.270  -2.351 -14.420
  225    HA   GLU  29           HA       GLU  29  -5.149   0.070 -13.331
  226   1HB   GLU  29          2HB       GLU  29  -6.610  -0.008 -11.212
  227   2HB   GLU  29          1HB       GLU  29  -7.354   0.666 -12.659
  228   1HG   GLU  29          2HG       GLU  29  -8.494  -1.438 -13.116
  229   2HG   GLU  29          1HG       GLU  29  -7.676  -2.218 -11.766
  230    H    SER  30           H        SER  30  -6.104  -1.845 -10.683
  231    HA   SER  30           HA       SER  30  -4.941  -3.411  -9.402
  232   1HB   SER  30          2HB       SER  30  -5.488  -4.759 -11.508
  233   2HB   SER  30          1HB       SER  30  -3.836  -4.432 -12.020
  234    HG   SER  30           HG       SER  30  -3.337  -6.061 -10.799
  235    H    ILE  31           H        ILE  31  -3.392  -2.213  -8.292
  236    HA   ILE  31           HA       ILE  31  -0.889  -1.470  -9.713
  237    HB   ILE  31           HB       ILE  31  -1.643  -0.911  -6.824
  238   1HG1  ILE  31          2HG1      ILE  31  -1.829   1.037  -9.122
  239   2HG1  ILE  31          1HG1      ILE  31  -3.199   0.019  -8.681
  240   1HG2  ILE  31          1HG2      ILE  31   0.803  -0.787  -7.821
  241   2HG2  ILE  31          3HG2      ILE  31   0.214   0.725  -8.513
  242   3HG2  ILE  31          2HG2      ILE  31   0.206   0.492  -6.764
  243   1HD1  ILE  31          3HD1      ILE  31  -2.800   0.887  -6.270
  244   2HD1  ILE  31          2HD1      ILE  31  -1.835   2.147  -7.037
  245   3HD1  ILE  31          1HD1      ILE  31  -3.548   1.989  -7.427
  246    H    VAL  32           H        VAL  32   0.995  -2.608  -9.448
  247    HA   VAL  32           HA       VAL  32   0.950  -4.832  -7.441
  248    HB   VAL  32           HB       VAL  32   2.526  -4.723 -10.028
  249   1HG1  VAL  32          3HG1      VAL  32   2.093  -6.754  -7.852
  250   2HG1  VAL  32          2HG1      VAL  32   2.445  -7.287  -9.495
  251   3HG1  VAL  32          1HG1      VAL  32   3.598  -6.268  -8.633
  252   1HG2  VAL  32          2HG2      VAL  32  -0.286  -5.408  -9.480
  253   2HG2  VAL  32          1HG2      VAL  32   0.514  -5.092 -11.019
  254   3HG2  VAL  32          3HG2      VAL  32   0.599  -6.698 -10.295
  255    H    VAL  33           H        VAL  33   2.706  -5.076  -6.084
  256    HA   VAL  33           HA       VAL  33   4.904  -3.060  -6.358
  257    HB   VAL  33           HB       VAL  33   3.742  -4.227  -3.804
  258   1HG1  VAL  33          3HG1      VAL  33   6.089  -2.467  -4.426
  259   2HG1  VAL  33          2HG1      VAL  33   5.176  -2.157  -2.948
  260   3HG1  VAL  33          1HG1      VAL  33   5.930  -3.730  -3.205
  261   1HG2  VAL  33          3HG2      VAL  33   2.533  -2.367  -5.328
  262   2HG2  VAL  33          2HG2      VAL  33   2.491  -2.307  -3.566
  263   3HG2  VAL  33          1HG2      VAL  33   3.649  -1.317  -4.455
  264    HA   PRO  34           HA       PRO  34   6.908  -7.091  -6.453
  265   1HB   PRO  34          2HB       PRO  34   9.008  -6.397  -8.074
  266   2HB   PRO  34          1HB       PRO  34   7.428  -6.914  -8.689
  267   1HG   PRO  34          2HG       PRO  34   8.608  -4.182  -8.597
  268   2HG   PRO  34          1HG       PRO  34   7.404  -4.850  -9.708
  269   1HD   PRO  34          2HD       PRO  34   6.864  -3.157  -7.516
  270   2HD   PRO  34          1HD       PRO  34   5.667  -4.103  -8.420
  271    H    ASN  35           H        ASN  35   8.225  -3.901  -5.764
  272    HA   ASN  35           HA       ASN  35  10.033  -5.152  -3.762
  273   1HB   ASN  35          2HB       ASN  35  10.832  -3.388  -6.051
  274   2HB   ASN  35          1HB       ASN  35  11.706  -3.252  -4.525
  275   1HD2  ASN  35          2HD2      ASN  35  12.082  -6.665  -6.765
  276   2HD2  ASN  35          1HD2      ASN  35  10.833  -5.568  -7.106
  277    H    ARG  36           H        ARG  36   8.241  -4.309  -2.383
  278    HA   ARG  36           HA       ARG  36   7.679  -1.501  -2.147
  279   1HB   ARG  36          2HB       ARG  36   6.252  -3.338  -1.209
  280   2HB   ARG  36          1HB       ARG  36   7.494  -3.630   0.007
  281   1HG   ARG  36          2HG       ARG  36   7.255  -1.293   0.798
  282   2HG   ARG  36          1HG       ARG  36   5.984  -1.031  -0.397
  283   1HD   ARG  36          2HD       ARG  36   5.093  -1.581   1.882
  284   2HD   ARG  36          1HD       ARG  36   4.586  -2.728   0.642
  285    HE   ARG  36           HE       ARG  36   6.170  -4.342   1.559
  286   1HH1  ARG  36          1HH2      ARG  36   8.081  -2.246   2.684
  287   2HH1  ARG  36          2HH2      ARG  36   7.834  -2.451   4.387
  288   1HH2  ARG  36          2HH1      ARG  36   4.891  -4.242   4.019
  289   2HH2  ARG  36          1HH1      ARG  36   6.031  -3.578   5.141
  290    H    GLU  37           H        GLU  37  10.421  -3.370  -1.227
  291    HA   GLU  37           HA       GLU  37  11.268  -1.885   1.073
  292   1HB   GLU  37          2HB       GLU  37  12.152  -4.127   0.409
  293   2HB   GLU  37          1HB       GLU  37  12.981  -3.364  -0.947
  294   1HG   GLU  37          2HG       GLU  37  13.936  -1.774   0.938
  295   2HG   GLU  37          1HG       GLU  37  13.543  -3.137   1.988
  296    H    ARG  38           H        ARG  38  12.801  -1.795  -2.173
  297    HA   ARG  38           HA       ARG  38  14.094   0.717  -1.694
  298   1HB   ARG  38          2HB       ARG  38  14.561  -1.111  -3.510
  299   2HB   ARG  38          1HB       ARG  38  13.382  -0.211  -4.464
  300   1HG   ARG  38          2HG       ARG  38  14.754   1.617  -4.690
  301   2HG   ARG  38          1HG       ARG  38  15.495   1.388  -3.107
  302   1HD   ARG  38          2HD       ARG  38  17.007  -0.215  -3.900
  303   2HD   ARG  38          1HD       ARG  38  16.012  -0.596  -5.306
  304    HE   ARG  38           HE       ARG  38  16.955   2.148  -5.364
  305   1HH1  ARG  38          2HH1      ARG  38  19.213  -0.025  -4.928
  306   2HH1  ARG  38          1HH1      ARG  38  19.783  -0.157  -6.559
  307   1HH2  ARG  38          1HH2      ARG  38  17.058   1.494  -7.927
  308   2HH2  ARG  38          2HH2      ARG  38  18.563   0.702  -8.255
  309    H    PHE  39           H        PHE  39  10.896  -0.093  -2.876
  310    HA   PHE  39           HA       PHE  39  10.237   2.363  -4.167
  311   1HB   PHE  39          2HB       PHE  39   8.755   0.501  -4.454
  312   2HB   PHE  39          1HB       PHE  39   8.563   0.290  -2.717
  313    HD1  PHE  39           HD1      PHE  39   7.756   2.546  -5.580
  314    HD2  PHE  39           HD2      PHE  39   6.920   1.510  -1.491
  315    HE1  PHE  39           HE1      PHE  39   5.769   4.026  -5.606
  316    HE2  PHE  39           HE2      PHE  39   4.932   2.990  -1.525
  317    HZ   PHE  39           HZ       PHE  39   4.357   4.249  -3.582
  318    H    VAL  40           H        VAL  40   9.270   1.363  -0.869
  319    HA   VAL  40           HA       VAL  40   8.323   3.844   0.016
  320    HB   VAL  40           HB       VAL  40   9.768   1.741   1.657
  321   1HG1  VAL  40          3HG1      VAL  40   8.867   4.301   2.426
  322   2HG1  VAL  40          2HG1      VAL  40   7.639   3.180   3.010
  323   3HG1  VAL  40          1HG1      VAL  40   9.320   2.972   3.492
  324   1HG2  VAL  40          2HG2      VAL  40   7.801   0.919   0.326
  325   2HG2  VAL  40          1HG2      VAL  40   7.553   0.817   2.068
  326   3HG2  VAL  40          3HG2      VAL  40   6.800   2.118   1.144
  327    H    GLN  41           H        GLN  41  11.640   2.747  -0.276
  328    HA   GLN  41           HA       GLN  41  12.863   4.739   1.379
  329   1HB   GLN  41          2HB       GLN  41  13.835   2.561   0.224
  330   2HB   GLN  41          1HB       GLN  41  14.283   3.707  -1.042
  331   1HG   GLN  41          2HG       GLN  41  15.419   5.117   0.646
  332   2HG   GLN  41          1HG       GLN  41  15.001   3.943   1.895
  333   1HE2  GLN  41          2HE2      GLN  41  17.705   1.827   1.121
  334   2HE2  GLN  41          1HE2      GLN  41  16.445   2.216   2.190
  335    H    GLU  42           H        GLU  42  12.728   4.661  -2.223
  336    HA   GLU  42           HA       GLU  42  13.121   7.617  -2.157
  337   1HB   GLU  42          2HB       GLU  42  13.482   5.619  -4.408
  338   2HB   GLU  42          1HB       GLU  42  13.744   7.357  -4.554
  339   1HG   GLU  42          2HG       GLU  42  15.557   7.309  -2.993
  340   2HG   GLU  42          1HG       GLU  42  15.174   5.661  -2.497
  341    H    VAL  43           H        VAL  43  10.470   6.411  -1.660
  342    HA   VAL  43           HA       VAL  43   9.041   7.886  -3.789
  343    HB   VAL  43           HB       VAL  43   8.183   5.055  -3.118
  344   1HG1  VAL  43          1HG1      VAL  43   7.259   7.264  -4.903
  345   2HG1  VAL  43          3HG1      VAL  43   7.114   5.613  -5.508
  346   3HG1  VAL  43          2HG1      VAL  43   6.314   6.075  -4.005
  347   1HG2  VAL  43          2HG2      VAL  43   9.782   6.080  -5.491
  348   2HG2  VAL  43          1HG2      VAL  43  10.360   4.959  -4.259
  349   3HG2  VAL  43          3HG2      VAL  43   9.081   4.467  -5.370
  350    H    LEU  44           H        LEU  44   8.802   6.123  -0.672
  351    HA   LEU  44           HA       LEU  44   6.168   7.078  -0.049
  352   1HB   LEU  44          2HB       LEU  44   7.565   5.224   1.134
  353   2HB   LEU  44          1HB       LEU  44   8.229   6.548   2.082
  354    HG   LEU  44           HG       LEU  44   5.907   7.240   2.676
  355   1HD1  LEU  44          2HD1      LEU  44   5.303   4.850   0.954
  356   2HD1  LEU  44          1HD1      LEU  44   4.221   5.258   2.286
  357   3HD1  LEU  44          3HD1      LEU  44   4.503   6.422   0.992
  358   1HD2  LEU  44          1HD2      LEU  44   7.439   5.391   3.861
  359   2HD2  LEU  44          3HD2      LEU  44   5.815   5.753   4.445
  360   3HD2  LEU  44          2HD2      LEU  44   6.088   4.350   3.414
  361    HA   PRO  45           HA       PRO  45   8.213  10.725   2.043
  362   1HB   PRO  45          2HB       PRO  45  10.877  11.271   1.689
  363   2HB   PRO  45          1HB       PRO  45  10.254  10.276   3.017
  364   1HG   PRO  45          2HG       PRO  45  11.702   9.434   0.563
  365   2HG   PRO  45          1HG       PRO  45  11.596   8.630   2.138
  366   1HD   PRO  45          2HD       PRO  45  10.150   7.933  -0.197
  367   2HD   PRO  45          1HD       PRO  45   9.859   7.335   1.444
  368    H    LYS  46           H        LYS  46   9.005   9.819  -1.188
  369    HA   LYS  46           HA       LYS  46   9.640  12.470  -2.182
  370   1HB   LYS  46          2HB       LYS  46   8.832   9.924  -3.593
  371   2HB   LYS  46          1HB       LYS  46   9.381  11.384  -4.409
  372   1HG   LYS  46          2HG       LYS  46  10.977   9.797  -2.372
  373   2HG   LYS  46          1HG       LYS  46  11.233   9.789  -4.109
  374   1HD   LYS  46          2HD       LYS  46  11.546  12.190  -2.285
  375   2HD   LYS  46          1HD       LYS  46  12.849  11.283  -3.041
  376   1HE   LYS  46          2HE       LYS  46  12.708  12.682  -4.797
  377   2HE   LYS  46          1HE       LYS  46  11.131  11.980  -5.158
  378   1HZ   LYS  46          3HZ       LYS  46  11.398  14.100  -3.125
  379   2HZ   LYS  46          2HZ       LYS  46  11.304  14.498  -4.775
  380   3HZ   LYS  46          1HZ       LYS  46  10.033  13.654  -4.027
  381    H    TYR  47           H        TYR  47   6.741  11.183  -1.085
  382    HA   TYR  47           HA       TYR  47   5.218  13.197  -2.650
  383   1HB   TYR  47          2HB       TYR  47   4.501  10.270  -2.340
  384   2HB   TYR  47          1HB       TYR  47   3.350  11.500  -2.862
  385    HD1  TYR  47           HD2      TYR  47   6.455   9.698  -3.739
  386    HD2  TYR  47           HD1      TYR  47   3.504  12.533  -5.044
  387    HE1  TYR  47           HE2      TYR  47   7.328   9.541  -6.055
  388    HE2  TYR  47           HE1      TYR  47   4.376  12.375  -7.360
  389    HH   TYR  47           HH       TYR  47   7.010  11.584  -8.279
  390    H    PHE  48           H        PHE  48   5.099  10.816   0.004
  391    HA   PHE  48           HA       PHE  48   3.400  12.752   1.525
  392   1HB   PHE  48          2HB       PHE  48   3.608   9.802   2.150
  393   2HB   PHE  48          1HB       PHE  48   2.360  10.940   2.647
  394    HD1  PHE  48           HD1      PHE  48   0.616  11.676   1.073
  395    HD2  PHE  48           HD2      PHE  48   3.605   8.813  -0.079
  396    HE1  PHE  48           HE1      PHE  48  -0.736  11.060  -0.912
  397    HE2  PHE  48           HE2      PHE  48   2.253   8.200  -2.065
  398    HZ   PHE  48           HZ       PHE  48   0.081   9.321  -2.482
  399    H    LYS  49           H        LYS  49   4.371  13.630   3.302
  400    HA   LYS  49           HA       LYS  49   7.053  12.727   4.061
  401   1HB   LYS  49          2HB       LYS  49   5.317  14.850   5.349
  402   2HB   LYS  49          1HB       LYS  49   7.056  14.639   5.560
  403   1HG   LYS  49          2HG       LYS  49   7.123  14.855   2.945
  404   2HG   LYS  49          1HG       LYS  49   5.550  15.620   3.151
  405   1HD   LYS  49          2HD       LYS  49   7.153  16.810   5.117
  406   2HD   LYS  49          1HD       LYS  49   8.208  16.688   3.710
  407   1HE   LYS  49          2HE       LYS  49   5.480  18.003   3.834
  408   2HE   LYS  49          1HE       LYS  49   7.032  18.798   3.573
  409   1HZ   LYS  49          2HZ       LYS  49   7.192  17.200   1.577
  410   2HZ   LYS  49          1HZ       LYS  49   5.508  17.064   1.747
  411   3HZ   LYS  49          3HZ       LYS  49   6.208  18.579   1.448
  412    H    HIS  50           H        HIS  50   7.159  10.907   5.277
  413    HA   HIS  50           HA       HIS  50   6.769   9.386   7.018
  414   1HB   HIS  50          2HB       HIS  50   5.857  11.959   8.338
  415   2HB   HIS  50          1HB       HIS  50   6.067  10.432   9.197
  416    HD1  HIS  50           HD1      HIS  50   8.655   9.443   7.809
  417    HD2  HIS  50           HD2      HIS  50   8.126  13.326   9.232
  418    HE1  HIS  50           HE1      HIS  50  10.973  10.386   8.197
  419    H    SER  51           H        SER  51   4.991   8.711   5.383
  420    HA   SER  51           HA       SER  51   2.276   9.103   6.561
  421   1HB   SER  51          2HB       SER  51   2.658   9.686   4.132
  422   2HB   SER  51          1HB       SER  51   2.975   7.979   3.837
  423    HG   SER  51           HG       SER  51   0.782   8.529   3.477
  424    H    ASN  52           H        ASN  52   4.728   6.725   5.795
  425    HA   ASN  52           HA       ASN  52   4.933   4.491   6.459
  426   1HB   ASN  52          2HB       ASN  52   3.049   5.615   8.337
  427   2HB   ASN  52          1HB       ASN  52   2.545   3.976   7.929
  428   1HD2  ASN  52          2HD2      ASN  52   6.368   4.321   9.426
  429   2HD2  ASN  52          1HD2      ASN  52   5.822   5.458   8.290
  430    H    PHE  53           H        PHE  53   4.468   2.692   5.291
  431    HA   PHE  53           HA       PHE  53   2.681   2.693   3.119
  432   1HB   PHE  53          2HB       PHE  53   2.978   0.225   3.103
  433   2HB   PHE  53          1HB       PHE  53   4.509   1.076   3.293
  434    HD1  PHE  53           HD1      PHE  53   1.905  -0.899   5.019
  435    HD2  PHE  53           HD2      PHE  53   5.769   0.945   5.358
  436    HE1  PHE  53           HE1      PHE  53   2.303  -2.128   7.136
  437    HE2  PHE  53           HE2      PHE  53   6.167  -0.284   7.476
  438    HZ   PHE  53           HZ       PHE  53   4.435  -1.820   8.365
  439    H    ALA  54           H        ALA  54   2.126   1.747   6.460
  440    HA   ALA  54           HA       ALA  54  -0.335   0.364   6.172
  441   1HB   ALA  54          3HB       ALA  54   0.693   2.123   8.415
  442   2HB   ALA  54          2HB       ALA  54  -0.772   1.149   8.536
  443   3HB   ALA  54          1HB       ALA  54   0.792   0.365   8.307
  444    H    SER  55           H        SER  55   0.261   3.858   6.690
  445    HA   SER  55           HA       SER  55  -2.492   4.641   6.652
  446   1HB   SER  55          2HB       SER  55  -0.141   6.295   5.699
  447   2HB   SER  55          1HB       SER  55  -1.681   6.890   6.310
  448    HG   SER  55           HG       SER  55  -1.075   6.447   8.301
  449    H    PHE  56           H        PHE  56  -0.147   4.034   4.098
  450    HA   PHE  56           HA       PHE  56  -1.597   5.199   1.917
  451   1HB   PHE  56          2HB       PHE  56   0.778   4.435   1.793
  452   2HB   PHE  56          1HB       PHE  56   0.223   2.765   1.892
  453    HD1  PHE  56           HD2      PHE  56  -1.074   5.731  -0.003
  454    HD2  PHE  56           HD1      PHE  56   0.521   1.751  -0.183
  455    HE1  PHE  56           HE2      PHE  56  -1.424   5.704  -2.460
  456    HE2  PHE  56           HE1      PHE  56   0.174   1.720  -2.637
  457    HZ   PHE  56           HZ       PHE  56  -0.800   3.695  -3.775
  458    H    VAL  57           H        VAL  57  -1.626   1.923   3.283
  459    HA   VAL  57           HA       VAL  57  -3.575   0.860   1.454
  460    HB   VAL  57           HB       VAL  57  -2.982  -0.094   4.273
  461   1HG1  VAL  57          2HG1      VAL  57  -4.187  -1.338   1.796
  462   2HG1  VAL  57          1HG1      VAL  57  -3.510  -2.327   3.090
  463   3HG1  VAL  57          3HG1      VAL  57  -4.870  -1.253   3.419
  464   1HG2  VAL  57          3HG2      VAL  57  -1.282  -0.008   1.897
  465   2HG2  VAL  57          2HG2      VAL  57  -0.871  -0.477   3.546
  466   3HG2  VAL  57          1HG2      VAL  57  -1.551  -1.665   2.435
  467    H    ARG  58           H        ARG  58  -3.790   2.818   4.328
  468    HA   ARG  58           HA       ARG  58  -6.541   2.178   4.979
  469   1HB   ARG  58          2HB       ARG  58  -4.555   3.488   6.292
  470   2HB   ARG  58          1HB       ARG  58  -5.478   4.860   5.682
  471   1HG   ARG  58          2HG       ARG  58  -6.904   4.564   7.405
  472   2HG   ARG  58          1HG       ARG  58  -7.421   3.063   6.636
  473   1HD   ARG  58          2HD       ARG  58  -4.952   3.129   8.364
  474   2HD   ARG  58          1HD       ARG  58  -6.549   2.954   9.088
  475    HE   ARG  58           HE       ARG  58  -6.063   1.070   6.911
  476   1HH1  ARG  58          2HH1      ARG  58  -4.119   1.233   9.485
  477   2HH1  ARG  58          1HH1      ARG  58  -4.697  -0.178  10.310
  478   1HH2  ARG  58          1HH2      ARG  58  -7.500  -0.531   8.298
  479   2HH2  ARG  58          2HH2      ARG  58  -6.612  -1.177   9.637
  480    H    GLN  59           H        GLN  59  -4.957   4.733   3.071
  481    HA   GLN  59           HA       GLN  59  -7.373   6.189   2.495
  482   1HB   GLN  59          2HB       GLN  59  -4.745   6.056   0.979
  483   2HB   GLN  59          1HB       GLN  59  -6.030   7.211   0.648
  484   1HG   GLN  59          2HG       GLN  59  -4.476   6.954   3.240
  485   2HG   GLN  59          1HG       GLN  59  -4.339   8.259   2.064
  486   1HE2  GLN  59          2HE2      GLN  59  -7.405   8.271   4.749
  487   2HE2  GLN  59          1HE2      GLN  59  -6.317   6.970   4.677
  488    H    LEU  60           H        LEU  60  -5.651   3.578   0.822
  489    HA   LEU  60           HA       LEU  60  -7.338   3.605  -1.523
  490   1HB   LEU  60          2HB       LEU  60  -5.464   1.553  -0.335
  491   2HB   LEU  60          1HB       LEU  60  -6.353   1.265  -1.832
  492    HG   LEU  60           HG       LEU  60  -4.717   3.769  -1.473
  493   1HD1  LEU  60          1HD1      LEU  60  -3.787   0.993  -2.205
  494   2HD1  LEU  60          3HD1      LEU  60  -2.953   2.424  -2.810
  495   3HD1  LEU  60          2HD1      LEU  60  -3.059   2.133  -1.074
  496   1HD2  LEU  60          3HD2      LEU  60  -6.101   2.303  -3.660
  497   2HD2  LEU  60          2HD2      LEU  60  -5.866   4.036  -3.442
  498   3HD2  LEU  60          1HD2      LEU  60  -4.555   3.042  -4.079
  499    H    ASN  61           H        ASN  61  -7.500   1.893   1.570
  500    HA   ASN  61           HA       ASN  61  -9.632   0.114   0.705
  501   1HB   ASN  61          2HB       ASN  61  -8.134   0.635   3.210
  502   2HB   ASN  61          1HB       ASN  61  -9.768   0.004   3.411
  503   1HD2  ASN  61          2HD2      ASN  61  -7.379  -2.353   1.041
  504   2HD2  ASN  61          1HD2      ASN  61  -7.461  -0.684   0.746
  505    H    MET  62           H        MET  62  -9.526   3.322   2.108
  506    HA   MET  62           HA       MET  62 -12.313   3.224   2.993
  507   1HB   MET  62          2HB       MET  62 -12.002   5.639   3.452
  508   2HB   MET  62          1HB       MET  62 -10.725   4.660   4.172
  509   1HG   MET  62          2HG       MET  62  -9.165   5.265   2.470
  510   2HG   MET  62          1HG       MET  62 -10.433   5.937   1.447
  511   1HE   MET  62          2HE       MET  62  -8.596   6.177   4.847
  512   2HE   MET  62          1HE       MET  62  -9.231   7.667   5.540
  513   3HE   MET  62          3HE       MET  62 -10.294   6.273   5.305
  514    H    TYR  63           H        TYR  63 -10.865   3.604  -0.060
  515    HA   TYR  63           HA       TYR  63 -13.206   5.184  -1.031
  516   1HB   TYR  63          2HB       TYR  63 -10.424   4.814  -2.163
  517   2HB   TYR  63          1HB       TYR  63 -11.741   5.544  -3.082
  518    HD1  TYR  63           HD2      TYR  63 -13.189   7.201  -1.260
  519    HD2  TYR  63           HD1      TYR  63  -8.959   6.458  -1.392
  520    HE1  TYR  63           HE2      TYR  63 -12.776   9.362  -0.118
  521    HE2  TYR  63           HE1      TYR  63  -8.546   8.622  -0.251
  522    HH   TYR  63           HH       TYR  63 -10.808  10.289   1.396
  523    H    GLY  64           H        GLY  64 -11.173   2.347  -1.819
  524   1HA   GLY  64          2HA       GLY  64 -13.073   0.490  -2.404
  525   2HA   GLY  64          1HA       GLY  64 -13.091   1.470  -3.869
  526    H    TRP  65           H        TRP  65 -10.852  -0.329  -1.753
  527    HA   TRP  65           HA       TRP  65  -9.551  -1.496  -4.113
  528   1HB   TRP  65          2HB       TRP  65  -8.076   0.373  -2.240
  529   2HB   TRP  65          1HB       TRP  65  -7.259  -0.773  -3.299
  530    HD1  TRP  65           HD1      TRP  65  -8.710   2.632  -3.256
  531    HE1  TRP  65           HE1      TRP  65  -8.765   3.616  -5.639
  532    HE3  TRP  65           HE3      TRP  65  -7.681  -1.572  -5.964
  533    HZ2  TRP  65           HZ2      TRP  65  -8.416   2.731  -8.340
  534    HZ3  TRP  65           HZ3      TRP  65  -7.547  -1.475  -8.435
  535    HH2  TRP  65           HH2      TRP  65  -7.910   0.670  -9.625
  536    H    HIS  66           H        HIS  66  -8.568  -3.469  -3.581
  537    HA   HIS  66           HA       HIS  66  -8.092  -4.141  -0.752
  538   1HB   HIS  66          2HB       HIS  66 -10.263  -5.413  -2.420
  539   2HB   HIS  66          1HB       HIS  66  -9.513  -6.271  -1.074
  540    HD1  HIS  66           HD1      HIS  66  -9.654  -5.019   1.314
  541    HD2  HIS  66           HD2      HIS  66 -12.193  -3.559  -1.652
  542    HE1  HIS  66           HE1      HIS  66 -11.395  -3.608   2.494
  543    H    LYS  67           H        LYS  67  -6.617  -5.825  -0.535
  544    HA   LYS  67           HA       LYS  67  -4.946  -6.412  -2.805
  545   1HB   LYS  67          2HB       LYS  67  -4.205  -8.413  -1.123
  546   2HB   LYS  67          1HB       LYS  67  -3.597  -6.772  -0.998
  547   1HG   LYS  67          2HG       LYS  67  -4.339  -7.716   1.189
  548   2HG   LYS  67          1HG       LYS  67  -5.211  -6.253   0.750
  549   1HD   LYS  67          2HD       LYS  67  -6.920  -7.992  -0.311
  550   2HD   LYS  67          1HD       LYS  67  -6.178  -9.089   0.848
  551   1HE   LYS  67          2HE       LYS  67  -6.681  -6.649   2.223
  552   2HE   LYS  67          1HE       LYS  67  -8.141  -7.043   1.317
  553   1HZ   LYS  67          3HZ       LYS  67  -6.692  -8.905   3.119
  554   2HZ   LYS  67          2HZ       LYS  67  -8.116  -8.068   3.513
  555   3HZ   LYS  67          1HZ       LYS  67  -8.129  -9.239   2.283
  556    H    VAL  68           H        VAL  68  -4.433  -8.838  -3.348
  557    HA   VAL  68           HA       VAL  68  -6.812  -9.949  -4.531
  558    HB   VAL  68           HB       VAL  68  -4.127 -11.296  -4.088
  559   1HG1  VAL  68          2HG1      VAL  68  -6.566 -11.892  -5.739
  560   2HG1  VAL  68          1HG1      VAL  68  -4.978 -12.372  -6.339
  561   3HG1  VAL  68          3HG1      VAL  68  -5.563 -12.994  -4.796
  562   1HG2  VAL  68          2HG2      VAL  68  -4.213  -9.005  -5.316
  563   2HG2  VAL  68          1HG2      VAL  68  -3.399 -10.345  -6.124
  564   3HG2  VAL  68          3HG2      VAL  68  -5.035  -9.890  -6.600
  565    H    GLN  69           H        GLN  69  -8.240 -11.401  -3.697
  566    HA   GLN  69           HA       GLN  69  -7.997 -12.191  -0.902
  567   1HB   GLN  69          2HB       GLN  69 -10.115 -11.815  -2.666
  568   2HB   GLN  69          1HB       GLN  69 -10.079 -13.565  -2.450
  569   1HG   GLN  69          2HG       GLN  69 -11.453 -12.830  -0.682
  570   2HG   GLN  69          1HG       GLN  69  -9.877 -13.024   0.088
  571   1HE2  GLN  69          2HE2      GLN  69 -11.512  -9.307  -0.254
  572   2HE2  GLN  69          1HE2      GLN  69 -12.274 -10.655  -0.951
  573    H    ASP  70           H        ASP  70  -7.270 -13.652  -3.988
  574    HA   ASP  70           HA       ASP  70  -6.282 -15.708  -4.517
  575   1HB   ASP  70          2HB       ASP  70  -5.179 -14.943  -2.073
  576   2HB   ASP  70          1HB       ASP  70  -5.737 -16.588  -1.772
  577    H    VAL  71           H        VAL  71  -6.542 -18.138  -4.046
  578    HA   VAL  71           HA       VAL  71  -9.327 -18.794  -3.948
  579    HB   VAL  71           HB       VAL  71  -7.005 -20.679  -3.443
  580   1HG1  VAL  71          1HG1      VAL  71  -9.597 -21.254  -3.188
  581   2HG1  VAL  71          3HG1      VAL  71  -9.494 -21.381  -4.945
  582   3HG1  VAL  71          2HG1      VAL  71  -8.475 -22.398  -3.925
  583   1HG2  VAL  71          3HG2      VAL  71  -8.076 -19.425  -5.962
  584   2HG2  VAL  71          2HG2      VAL  71  -6.399 -19.677  -5.474
  585   3HG2  VAL  71          1HG2      VAL  71  -7.376 -21.043  -6.014
  586    H    LYS  72           H        LYS  72  -6.849 -18.599  -1.476
  587    HA   LYS  72           HA       LYS  72  -8.786 -18.577   0.650
  588   1HB   LYS  72          2HB       LYS  72  -7.890 -21.170  -0.210
  589   2HB   LYS  72          1HB       LYS  72  -7.221 -20.859   1.390
  590   1HG   LYS  72          2HG       LYS  72 -10.146 -20.498   0.675
  591   2HG   LYS  72          1HG       LYS  72  -9.486 -21.939   1.448
  592   1HD   LYS  72          2HD       LYS  72  -8.641 -20.514   3.313
  593   2HD   LYS  72          1HD       LYS  72  -9.405 -19.116   2.558
  594   1HE   LYS  72          2HE       LYS  72 -11.434 -19.679   3.376
  595   2HE   LYS  72          1HE       LYS  72 -11.274 -21.342   2.815
  596   1HZ   LYS  72          2HZ       LYS  72  -9.843 -21.773   4.756
  597   2HZ   LYS  72          1HZ       LYS  72 -10.156 -20.199   5.317
  598   3HZ   LYS  72          3HZ       LYS  72 -11.422 -21.322   5.191
  599    H    SER  73           H        SER  73  -7.605 -16.730   1.271
  600    HA   SER  73           HA       SER  73  -4.728 -16.805   1.661
  601   1HB   SER  73          2HB       SER  73  -6.905 -14.833   2.020
  602   2HB   SER  73          1HB       SER  73  -5.549 -14.652   3.128
  603    HG   SER  73           HG       SER  73  -5.226 -13.519   1.163
  604    H    GLY  74           H        GLY  74  -7.037 -15.875   4.211
  605   1HA   GLY  74          2HA       GLY  74  -7.389 -16.947   6.323
  606   2HA   GLY  74          1HA       GLY  74  -6.096 -18.083   5.935
  607    H    SER  75           H        SER  75  -3.976 -16.471   5.365
  608    HA   SER  75           HA       SER  75  -3.606 -14.296   7.226
  609   1HB   SER  75          2HB       SER  75  -2.064 -15.380   8.766
  610   2HB   SER  75          1HB       SER  75  -3.583 -16.271   8.781
  611    HG   SER  75           HG       SER  75  -1.081 -17.002   7.859
  612    H    MET  76           H        MET  76  -2.417 -13.093   5.811
  613    HA   MET  76           HA       MET  76  -0.635 -12.440   4.453
  614   1HB   MET  76          2HB       MET  76   0.465 -14.613   6.053
  615   2HB   MET  76          1HB       MET  76   1.154 -14.621   4.431
  616   1HG   MET  76          2HG       MET  76   0.931 -12.049   5.979
  617   2HG   MET  76          1HG       MET  76   2.282 -13.145   6.260
  618   1HE   MET  76          1HE       MET  76   0.827 -10.458   4.676
  619   2HE   MET  76          3HE       MET  76   1.757 -10.027   3.234
  620   3HE   MET  76          2HE       MET  76   0.414 -11.160   3.114
  621    H    LEU  77           H        LEU  77  -0.935 -12.446   2.339
  622    HA   LEU  77           HA       LEU  77  -2.430 -14.169   0.792
  623   1HB   LEU  77          2HB       LEU  77  -0.127 -12.369   0.123
  624   2HB   LEU  77          1HB       LEU  77  -0.819 -13.385  -1.139
  625    HG   LEU  77           HG       LEU  77  -2.921 -12.087   0.404
  626   1HD1  LEU  77          3HD1      LEU  77  -0.728 -10.370  -0.762
  627   2HD1  LEU  77          2HD1      LEU  77  -2.386  -9.783  -0.628
  628   3HD1  LEU  77          1HD1      LEU  77  -1.495 -10.245   0.821
  629   1HD2  LEU  77          2HD2      LEU  77  -2.048 -12.319  -2.464
  630   2HD2  LEU  77          1HD2      LEU  77  -3.542 -12.875  -1.709
  631   3HD2  LEU  77          3HD2      LEU  77  -3.302 -11.157  -2.031
  632    H    SER  78           H        SER  78   1.171 -14.302   0.706
  633    HA   SER  78           HA       SER  78   0.886 -17.237   0.209
  634   1HB   SER  78          2HB       SER  78   3.146 -16.841  -1.092
  635   2HB   SER  78          1HB       SER  78   1.605 -16.513  -1.880
  636    HG   SER  78           HG       SER  78   1.859 -14.339  -1.376
  637    H    ASN  79           H        ASN  79   3.962 -15.495   0.528
  638    HA   ASN  79           HA       ASN  79   4.398 -15.769   3.303
  639   1HB   ASN  79          2HB       ASN  79   4.492 -18.295   1.865
  640   2HB   ASN  79          1HB       ASN  79   6.065 -17.938   2.573
  641   1HD2  ASN  79          2HD2      ASN  79   4.615 -17.792   5.955
  642   2HD2  ASN  79          1HD2      ASN  79   5.627 -16.840   4.981
  643    H    ASN  80           H        ASN  80   5.095 -14.009   1.163
  644    HA   ASN  80           HA       ASN  80   8.079 -14.221   1.238
  645   1HB   ASN  80          2HB       ASN  80   6.212 -13.373  -0.964
  646   2HB   ASN  80          1HB       ASN  80   7.855 -12.732  -0.904
  647   1HD2  ASN  80          1HD2      ASN  80   8.930 -13.918  -2.520
  648   2HD2  ASN  80          2HD2      ASN  80   8.968 -15.613  -2.591
  649    H    ASP  81           H        ASP  81   9.128 -12.468   2.071
  650    HA   ASP  81           HA       ASP  81   7.701 -10.445   3.494
  651   1HB   ASP  81          2HB       ASP  81  10.060 -11.185   3.963
  652   2HB   ASP  81          1HB       ASP  81  10.568 -10.306   2.521
  653    H    SER  82           H        SER  82   6.711  -8.661   2.719
  654    HA   SER  82           HA       SER  82   6.107  -6.906   1.287
  655   1HB   SER  82          2HB       SER  82   8.732  -6.921  -0.103
  656   2HB   SER  82          1HB       SER  82   7.837  -5.574   0.596
  657    HG   SER  82           HG       SER  82   9.863  -6.914   1.642
  658    H    ARG  83           H        ARG  83   4.643  -8.240   0.078
  659    HA   ARG  83           HA       ARG  83   5.236  -8.392  -2.741
  660   1HB   ARG  83          2HB       ARG  83   5.955 -10.677  -1.155
  661   2HB   ARG  83          1HB       ARG  83   4.581 -11.122  -2.164
  662   1HG   ARG  83          2HG       ARG  83   7.110  -9.794  -3.186
  663   2HG   ARG  83          1HG       ARG  83   6.765 -11.520  -3.299
  664   1HD   ARG  83          2HD       ARG  83   4.529 -10.700  -4.426
  665   2HD   ARG  83          1HD       ARG  83   5.455  -9.230  -4.729
  666    HE   ARG  83           HE       ARG  83   5.945 -11.864  -5.953
  667   1HH1  ARG  83          2HH1      ARG  83   8.602 -10.879  -5.134
  668   2HH1  ARG  83          1HH1      ARG  83   9.072  -9.876  -6.466
  669   1HH2  ARG  83          1HH2      ARG  83   5.857  -9.611  -7.741
  670   2HH2  ARG  83          2HH2      ARG  83   7.517  -9.158  -7.942
  671    H    TRP  84           H        TRP  84   3.289  -7.403  -3.141
  672    HA   TRP  84           HA       TRP  84   0.903  -9.035  -2.939
  673   1HB   TRP  84          2HB       TRP  84  -0.430  -7.326  -1.659
  674   2HB   TRP  84          1HB       TRP  84   0.761  -8.197  -0.702
  675    HD1  TRP  84           HD1      TRP  84   2.504  -5.718  -2.786
  676    HE1  TRP  84           HE1      TRP  84   3.112  -3.624  -1.408
  677    HE3  TRP  84           HE3      TRP  84  -0.390  -6.525   1.332
  678    HZ2  TRP  84           HZ2      TRP  84   2.436  -2.442   1.112
  679    HZ3  TRP  84           HZ3      TRP  84  -0.401  -4.900   3.202
  680    HH2  TRP  84           HH2      TRP  84   1.006  -2.861   3.098
  681    H    GLU  85           H        GLU  85  -1.071  -7.697  -3.723
  682    HA   GLU  85           HA       GLU  85  -0.152  -5.846  -5.887
  683   1HB   GLU  85          2HB       GLU  85  -1.439  -8.378  -6.104
  684   2HB   GLU  85          1HB       GLU  85  -2.636  -7.166  -6.553
  685   1HG   GLU  85          2HG       GLU  85  -1.529  -6.593  -8.457
  686   2HG   GLU  85          1HG       GLU  85   0.054  -6.703  -7.686
  687    H    PHE  86           H        PHE  86  -2.751  -5.161  -6.772
  688    HA   PHE  86           HA       PHE  86  -4.269  -4.196  -4.439
  689   1HB   PHE  86          2HB       PHE  86  -2.692  -2.406  -6.271
  690   2HB   PHE  86          1HB       PHE  86  -4.156  -1.814  -5.488
  691    HD1  PHE  86           HD1      PHE  86  -4.283  -2.556  -2.876
  692    HD2  PHE  86           HD2      PHE  86  -0.694  -1.980  -5.157
  693    HE1  PHE  86           HE1      PHE  86  -3.015  -2.178  -0.778
  694    HE2  PHE  86           HE2      PHE  86   0.578  -1.600  -3.060
  695    HZ   PHE  86           HZ       PHE  86  -0.583  -1.700  -0.871
  696    H    GLU  87           H        GLU  87  -5.585  -5.826  -5.745
  697    HA   GLU  87           HA       GLU  87  -6.692  -4.841  -8.285
  698   1HB   GLU  87          2HB       GLU  87  -6.247  -7.278  -7.819
  699   2HB   GLU  87          1HB       GLU  87  -7.552  -7.233  -6.634
  700   1HG   GLU  87          2HG       GLU  87  -8.530  -8.029  -8.668
  701   2HG   GLU  87          1HG       GLU  87  -9.046  -6.351  -8.502
  702    H    ASN  88           H        ASN  88  -8.903  -4.253  -8.570
  703    HA   ASN  88           HA       ASN  88 -10.071  -2.732  -6.445
  704   1HB   ASN  88          2HB       ASN  88 -10.469  -2.994  -9.195
  705   2HB   ASN  88          1HB       ASN  88 -11.975  -3.592  -8.501
  706   1HD2  ASN  88          2HD2      ASN  88 -13.104  -0.341  -7.795
  707   2HD2  ASN  88          1HD2      ASN  88 -13.480  -1.963  -8.124
  708    H    GLU  89           H        GLU  89 -12.874  -3.618  -6.715
  709    HA   GLU  89           HA       GLU  89 -12.732  -5.890  -4.822
  710   1HB   GLU  89          2HB       GLU  89 -14.421  -3.597  -5.130
  711   2HB   GLU  89          1HB       GLU  89 -15.430  -5.035  -5.280
  712   1HG   GLU  89          2HG       GLU  89 -14.617  -5.890  -3.155
  713   2HG   GLU  89          1HG       GLU  89 -13.458  -4.568  -3.023
  714    H    ARG  90           H        ARG  90 -12.335  -6.190  -7.808
  715    HA   ARG  90           HA       ARG  90 -14.574  -8.106  -8.317
  716   1HB   ARG  90          2HB       ARG  90 -13.904  -5.936  -9.862
  717   2HB   ARG  90          1HB       ARG  90 -12.961  -7.212 -10.631
  718   1HG   ARG  90          2HG       ARG  90 -15.039  -8.611 -10.732
  719   2HG   ARG  90          1HG       ARG  90 -15.948  -7.233 -10.112
  720   1HD   ARG  90          2HD       ARG  90 -14.867  -5.924 -12.087
  721   2HD   ARG  90          1HD       ARG  90 -14.542  -7.522 -12.761
  722    HE   ARG  90           HE       ARG  90 -17.196  -6.282 -12.447
  723   1HH1  ARG  90          2HH1      ARG  90 -17.552  -9.016 -11.436
  724   2HH1  ARG  90          1HH1      ARG  90 -17.840  -9.936 -12.874
  725   1HH2  ARG  90          1HH2      ARG  90 -16.588  -7.498 -15.001
  726   2HH2  ARG  90          2HH2      ARG  90 -17.295  -9.077 -14.895
  727    H    HIS  91           H        HIS  91 -13.944 -10.222  -8.500
  728    HA   HIS  91           HA       HIS  91 -11.019 -10.772  -8.571
  729   1HB   HIS  91          2HB       HIS  91 -11.654 -13.048  -7.795
  730   2HB   HIS  91          1HB       HIS  91 -12.231 -11.791  -6.703
  731    HD1  HIS  91           HD1      HIS  91 -14.787 -11.387  -6.582
  732    HD2  HIS  91           HD2      HIS  91 -13.708 -14.385  -9.270
  733    HE1  HIS  91           HE1      HIS  91 -16.926 -12.586  -7.214
  734    H    ALA  92           HN       ALA  92 -12.561 -10.037 -10.973
  735    HA   ALA  92           HA       ALA  92 -12.407 -12.600 -12.503
  736   1HB   ALA  92          3HB       ALA  92 -14.043 -10.102 -12.817
  737   2HB   ALA  92          2HB       ALA  92 -13.674 -11.075 -14.241
  738   3HB   ALA  92          1HB       ALA  92 -14.558 -11.787 -12.891
   
  No H/Q in entry =         738
  Start of MODEL          17
 Raw file had  756 H/Q atoms
  Start of MODEL   17
    1   1H    ALA   1          1H        ALA   1 -14.524  13.582  -2.903
    2   2H    ALA   1          3H        ALA   1 -15.373  14.787  -3.742
    3   3H    ALA   1          2H        ALA   1 -16.220  13.536  -2.966
    4    HA   ALA   1           HA       ALA   1 -15.576  11.941  -4.514
    5   1HB   ALA   1          3HB       ALA   1 -16.094  14.605  -5.858
    6   2HB   ALA   1          2HB       ALA   1 -16.052  13.078  -6.741
    7   3HB   ALA   1          1HB       ALA   1 -17.265  13.338  -5.487
    8    H    ARG   2           H        ARG   2 -13.605  14.871  -4.745
    9    HA   ARG   2           HA       ARG   2 -11.447  13.201  -5.968
   10   1HB   ARG   2          2HB       ARG   2 -12.470  15.908  -6.757
   11   2HB   ARG   2          1HB       ARG   2 -10.753  15.561  -6.954
   12   1HG   ARG   2          2HG       ARG   2 -12.127  13.285  -7.943
   13   2HG   ARG   2          1HG       ARG   2 -12.980  14.687  -8.585
   14   1HD   ARG   2          2HD       ARG   2 -10.043  14.921  -8.699
   15   2HD   ARG   2          1HD       ARG   2 -10.701  13.613  -9.682
   16    HE   ARG   2           HE       ARG   2 -12.312  15.822 -10.248
   17   1HH1  ARG   2          1HH1      ARG   2  -9.272  15.626 -12.581
   18   2HH1  ARG   2          2HH1      ARG   2 -10.133  14.271 -11.934
   19   1HH2  ARG   2          1HH2      ARG   2 -10.699  17.913 -10.400
   20   2HH2  ARG   2          2HH2      ARG   2  -9.592  17.689 -11.714
   21    HA   PRO   3           HA       PRO   3  -9.700  15.273  -2.374
   22   1HB   PRO   3          2HB       PRO   3  -8.655  13.088  -1.091
   23   2HB   PRO   3          1HB       PRO   3 -10.327  13.635  -0.878
   24   1HG   PRO   3          2HG       PRO   3  -9.297  11.295  -2.386
   25   2HG   PRO   3          1HG       PRO   3 -10.887  11.542  -1.651
   26   1HD   PRO   3          2HD       PRO   3 -10.267  11.791  -4.403
   27   2HD   PRO   3          1HD       PRO   3 -11.766  12.314  -3.612
   28    H    ALA   4           H        ALA   4  -7.385  15.329  -1.575
   29    HA   ALA   4           HA       ALA   4  -5.546  15.397  -3.766
   30   1HB   ALA   4          2HB       ALA   4  -5.327  15.710  -0.793
   31   2HB   ALA   4          1HB       ALA   4  -3.852  15.537  -1.744
   32   3HB   ALA   4          3HB       ALA   4  -4.959  16.871  -2.069
   33    H    PHE   5           H        PHE   5  -6.566  12.770  -1.766
   34    HA   PHE   5           HA       PHE   5  -4.102  11.242  -1.922
   35   1HB   PHE   5          2HB       PHE   5  -5.891  10.874  -0.185
   36   2HB   PHE   5          1HB       PHE   5  -6.901  10.182  -1.458
   37    HD1  PHE   5           HD2      PHE   5  -3.592   9.841   0.234
   38    HD2  PHE   5           HD1      PHE   5  -6.604   7.943  -2.169
   39    HE1  PHE   5           HE2      PHE   5  -2.407   7.674   0.458
   40    HE2  PHE   5           HE1      PHE   5  -5.420   5.777  -1.944
   41    HZ   PHE   5           HZ       PHE   5  -3.321   5.641  -0.632
   42    H    VAL   6           H        VAL   6  -7.229  11.051  -3.666
   43    HA   VAL   6           HA       VAL   6  -6.330   8.962  -5.443
   44    HB   VAL   6           HB       VAL   6  -8.518  10.987  -6.006
   45   1HG1  VAL   6          2HG1      VAL   6  -7.527   9.175  -7.699
   46   2HG1  VAL   6          1HG1      VAL   6  -8.583   8.099  -6.785
   47   3HG1  VAL   6          3HG1      VAL   6  -9.259   9.498  -7.618
   48   1HG2  VAL   6          2HG2      VAL   6  -8.635   8.378  -4.453
   49   2HG2  VAL   6          1HG2      VAL   6  -8.876   9.988  -3.784
   50   3HG2  VAL   6          3HG2      VAL   6 -10.037   9.332  -4.934
   51    H    ASN   7           H        ASN   7  -6.106  12.468  -5.474
   52    HA   ASN   7           HA       ASN   7  -5.385  12.746  -8.252
   53   1HB   ASN   7          2HB       ASN   7  -4.947  14.469  -5.804
   54   2HB   ASN   7          1HB       ASN   7  -4.333  14.934  -7.392
   55   1HD2  ASN   7          2HD2      ASN   7  -7.784  15.071  -8.738
   56   2HD2  ASN   7          1HD2      ASN   7  -6.334  14.287  -9.143
   57    H    LYS   8           H        LYS   8  -3.458  12.368  -5.267
   58    HA   LYS   8           HA       LYS   8  -0.912  12.485  -6.625
   59   1HB   LYS   8          2HB       LYS   8   0.017  11.566  -4.522
   60   2HB   LYS   8          1HB       LYS   8  -1.089  12.901  -4.203
   61   1HG   LYS   8          2HG       LYS   8  -2.734  11.508  -3.334
   62   2HG   LYS   8          1HG       LYS   8  -2.173  10.108  -4.239
   63   1HD   LYS   8          2HD       LYS   8  -0.471  11.343  -2.083
   64   2HD   LYS   8          1HD       LYS   8  -1.707  10.144  -1.699
   65   1HE   LYS   8          2HE       LYS   8  -0.319   8.490  -2.331
   66   2HE   LYS   8          1HE       LYS   8  -0.195   9.187  -3.946
   67   1HZ   LYS   8          1HZ       LYS   8   1.505  10.714  -3.055
   68   2HZ   LYS   8          3HZ       LYS   8   1.451   9.882  -1.577
   69   3HZ   LYS   8          2HZ       LYS   8   1.969   9.082  -2.984
   70    H    LEU   9           H        LEU   9  -3.276   9.966  -6.161
   71    HA   LEU   9           HA       LEU   9  -1.538   7.703  -6.523
   72   1HB   LEU   9          2HB       LEU   9  -3.965   7.754  -5.659
   73   2HB   LEU   9          1HB       LEU   9  -4.436   7.799  -7.358
   74    HG   LEU   9           HG       LEU   9  -2.850   5.756  -7.620
   75   1HD1  LEU   9          1HD1      LEU   9  -2.161   6.259  -5.079
   76   2HD1  LEU   9          3HD1      LEU   9  -3.528   5.188  -4.769
   77   3HD1  LEU   9          2HD1      LEU   9  -2.165   4.621  -5.732
   78   1HD2  LEU   9          3HD2      LEU   9  -5.437   5.863  -7.608
   79   2HD2  LEU   9          2HD2      LEU   9  -4.689   4.297  -7.292
   80   3HD2  LEU   9          1HD2      LEU   9  -5.322   5.259  -5.955
   81    H    TRP  10           H        TRP  10  -3.302   9.789  -8.791
   82    HA   TRP  10           HA       TRP  10  -2.636   8.131 -11.099
   83   1HB   TRP  10          2HB       TRP  10  -3.617  10.995 -11.054
   84   2HB   TRP  10          1HB       TRP  10  -3.672   9.884 -12.420
   85    HD1  TRP  10           HD1      TRP  10  -6.051  11.304 -10.385
   86    HE1  TRP  10           HE1      TRP  10  -7.993   9.739  -9.742
   87    HE3  TRP  10           HE3      TRP  10  -3.944   6.762 -11.459
   88    HZ2  TRP  10           HZ2      TRP  10  -8.580   6.945  -9.684
   89    HZ3  TRP  10           HZ3      TRP  10  -5.220   4.676 -11.096
   90    HH2  TRP  10           HH2      TRP  10  -7.534   4.759 -10.211
   91    H    SER  11           H        SER  11  -0.686  10.067  -9.227
   92    HA   SER  11           HA       SER  11   0.960  10.901 -11.577
   93   1HB   SER  11          2HB       SER  11   0.549  12.066  -8.845
   94   2HB   SER  11          1HB       SER  11   2.092  12.322  -9.658
   95    HG   SER  11           HG       SER  11   0.929  13.933 -10.459
   96    H    MET  12           H        MET  12   0.919   9.097  -8.573
   97    HA   MET  12           HA       MET  12   3.813   8.550  -8.707
   98   1HB   MET  12          2HB       MET  12   3.432   7.284  -6.618
   99   2HB   MET  12          1HB       MET  12   2.787   8.919  -6.508
  100   1HG   MET  12          2HG       MET  12   0.829   7.977  -5.875
  101   2HG   MET  12          1HG       MET  12   0.652   7.455  -7.547
  102   1HE   MET  12          1HE       MET  12   2.025   6.935  -4.209
  103   2HE   MET  12          3HE       MET  12   2.019   5.199  -3.876
  104   3HE   MET  12          2HE       MET  12   3.351   5.923  -4.772
  105    H    VAL  13           H        VAL  13   0.771   6.960  -9.466
  106    HA   VAL  13           HA       VAL  13   2.078   4.349  -9.833
  107    HB   VAL  13           HB       VAL  13  -0.731   5.099 -10.670
  108   1HG1  VAL  13          2HG1      VAL  13   0.184   2.957 -11.498
  109   2HG1  VAL  13          1HG1      VAL  13   0.579   2.488  -9.844
  110   3HG1  VAL  13          3HG1      VAL  13  -1.107   2.683 -10.327
  111   1HG2  VAL  13          2HG2      VAL  13  -0.224   5.667  -8.246
  112   2HG2  VAL  13          1HG2      VAL  13  -1.494   4.468  -8.471
  113   3HG2  VAL  13          3HG2      VAL  13   0.124   3.959  -7.993
  114    H    ASN  14           H        ASN  14   1.612   7.163 -11.740
  115    HA   ASN  14           HA       ASN  14   1.185   6.137 -14.333
  116   1HB   ASN  14          2HB       ASN  14   1.362   8.583 -13.593
  117   2HB   ASN  14          1HB       ASN  14   3.111   8.387 -13.728
  118   1HD2  ASN  14          2HD2      ASN  14   1.063   9.164 -17.045
  119   2HD2  ASN  14          1HD2      ASN  14   0.495   9.458 -15.473
  120    H    ASP  15           H        ASP  15   3.985   5.839 -12.288
  121    HA   ASP  15           HA       ASP  15   5.983   4.668 -12.586
  122   1HB   ASP  15          2HB       ASP  15   4.819   3.683 -15.205
  123   2HB   ASP  15          1HB       ASP  15   6.073   2.919 -14.231
  124    H    LYS  16           H        LYS  16   5.386   7.390 -13.942
  125    HA   LYS  16           HA       LYS  16   7.287   7.292 -16.203
  126   1HB   LYS  16          2HB       LYS  16   6.713   9.674 -16.507
  127   2HB   LYS  16          1HB       LYS  16   5.255   8.689 -16.412
  128   1HG   LYS  16          2HG       LYS  16   4.915   9.319 -14.087
  129   2HG   LYS  16          1HG       LYS  16   6.450  10.188 -14.061
  130   1HD   LYS  16          2HD       LYS  16   4.342  10.908 -16.081
  131   2HD   LYS  16          1HD       LYS  16   4.247  11.539 -14.437
  132   1HE   LYS  16          2HE       LYS  16   6.851  12.050 -14.970
  133   2HE   LYS  16          1HE       LYS  16   6.182  12.175 -16.597
  134   1HZ   LYS  16          2HZ       LYS  16   4.391  13.598 -15.451
  135   2HZ   LYS  16          1HZ       LYS  16   5.531  13.759 -14.202
  136   3HZ   LYS  16          3HZ       LYS  16   5.909  14.294 -15.766
  137    H    SER  17           H        SER  17   7.098   8.431 -12.881
  138    HA   SER  17           HA       SER  17   9.898   9.448 -13.067
  139   1HB   SER  17          2HB       SER  17   9.359  10.386 -10.763
  140   2HB   SER  17          1HB       SER  17   8.423  11.073 -12.088
  141    HG   SER  17           HG       SER  17   6.747  10.427 -11.009
  142    H    ASN  18           H        ASN  18   7.794   7.164 -11.398
  143    HA   ASN  18           HA       ASN  18  10.198   5.957 -10.092
  144   1HB   ASN  18          2HB       ASN  18   8.253   4.653  -8.821
  145   2HB   ASN  18          1HB       ASN  18   8.768   6.245  -8.286
  146   1HD2  ASN  18          2HD2      ASN  18   5.508   7.495  -8.639
  147   2HD2  ASN  18          1HD2      ASN  18   6.977   7.499  -7.788
  148    H    GLU  19           H        GLU  19   9.845   5.522 -12.780
  149    HA   GLU  19           HA       GLU  19   8.307   3.286 -13.574
  150   1HB   GLU  19          2HB       GLU  19   9.966   3.075 -15.416
  151   2HB   GLU  19          1HB       GLU  19   9.454   4.742 -15.173
  152   1HG   GLU  19          2HG       GLU  19  11.672   4.330 -13.444
  153   2HG   GLU  19          1HG       GLU  19  12.117   3.635 -15.001
  154    H    LYS  20           H        LYS  20  11.168   3.411 -11.594
  155    HA   LYS  20           HA       LYS  20  11.589   0.478 -11.913
  156   1HB   LYS  20          2HB       LYS  20  13.303   2.780 -11.174
  157   2HB   LYS  20          1HB       LYS  20  13.589   1.308 -10.248
  158   1HG   LYS  20          2HG       LYS  20  14.064   0.042 -12.208
  159   2HG   LYS  20          1HG       LYS  20  13.421   1.297 -13.265
  160   1HD   LYS  20          2HD       LYS  20  15.626   2.138 -11.464
  161   2HD   LYS  20          1HD       LYS  20  16.069   1.007 -12.743
  162   1HE   LYS  20          2HE       LYS  20  14.316   3.242 -13.586
  163   2HE   LYS  20          1HE       LYS  20  15.948   3.702 -13.099
  164   1HZ   LYS  20          2HZ       LYS  20  15.407   1.488 -14.990
  165   2HZ   LYS  20          1HZ       LYS  20  15.647   3.088 -15.503
  166   3HZ   LYS  20          3HZ       LYS  20  16.886   2.266 -14.688
  167    H    PHE  21           H        PHE  21   9.259   1.395 -10.465
  168    HA   PHE  21           HA       PHE  21   9.866   0.125  -7.867
  169   1HB   PHE  21          2HB       PHE  21   8.666   2.897  -8.073
  170   2HB   PHE  21          1HB       PHE  21   8.768   1.950  -6.592
  171    HD1  PHE  21           HD1      PHE  21  11.164   1.000  -6.018
  172    HD2  PHE  21           HD2      PHE  21  10.421   4.352  -8.602
  173    HE1  PHE  21           HE1      PHE  21  13.488   1.789  -5.661
  174    HE2  PHE  21           HE2      PHE  21  12.747   5.140  -8.246
  175    HZ   PHE  21           HZ       PHE  21  14.280   3.859  -6.774
  176    H    ILE  22           H        ILE  22   7.053   2.093  -8.892
  177    HA   ILE  22           HA       ILE  22   5.356  -0.301  -8.410
  178    HB   ILE  22           HB       ILE  22   4.755   1.772  -7.219
  179   1HG1  ILE  22          2HG1      ILE  22   2.702   1.296  -9.392
  180   2HG1  ILE  22          1HG1      ILE  22   3.009   0.115  -8.120
  181   1HG2  ILE  22          3HG2      ILE  22   4.600   2.885 -10.025
  182   2HG2  ILE  22          2HG2      ILE  22   3.795   3.654  -8.657
  183   3HG2  ILE  22          1HG2      ILE  22   5.551   3.488  -8.668
  184   1HD1  ILE  22          2HD1      ILE  22   2.723   2.707  -6.911
  185   2HD1  ILE  22          1HD1      ILE  22   1.359   2.427  -7.989
  186   3HD1  ILE  22          3HD1      ILE  22   1.710   1.279  -6.700
  187    H    HIS  23           H        HIS  23   3.568  -0.722  -9.950
  188    HA   HIS  23           HA       HIS  23   3.815   0.366 -12.669
  189   1HB   HIS  23          2HB       HIS  23   4.797  -2.341 -11.896
  190   2HB   HIS  23          1HB       HIS  23   3.881  -2.224 -13.398
  191    HD1  HIS  23           HD1      HIS  23   7.234  -1.994 -12.222
  192    HD2  HIS  23           HD2      HIS  23   5.010   0.134 -15.034
  193    HE1  HIS  23           HE1      HIS  23   8.907  -0.835 -13.728
  194    H    TRP  24           H        TRP  24   2.042  -0.452 -14.070
  195    HA   TRP  24           HA       TRP  24  -0.428  -0.758 -12.548
  196   1HB   TRP  24          2HB       TRP  24   0.260  -0.567 -15.475
  197   2HB   TRP  24          1HB       TRP  24  -1.366  -1.014 -14.966
  198    HD1  TRP  24           HD1      TRP  24   1.038   1.619 -13.455
  199    HE1  TRP  24           HE1      TRP  24  -0.205   3.877 -13.378
  200    HE3  TRP  24           HE3      TRP  24  -3.343   0.293 -15.714
  201    HZ2  TRP  24           HZ2      TRP  24  -2.723   4.977 -14.173
  202    HZ3  TRP  24           HZ3      TRP  24  -5.145   1.963 -16.043
  203    HH2  TRP  24           HH2      TRP  24  -4.841   4.300 -15.277
  204    H    SER  25           H        SER  25  -2.028  -2.527 -13.397
  205    HA   SER  25           HA       SER  25  -0.775  -5.116 -12.903
  206   1HB   SER  25          2HB       SER  25  -2.988  -5.977 -12.824
  207   2HB   SER  25          1HB       SER  25  -3.114  -4.354 -12.156
  208    HG   SER  25           HG       SER  25  -4.582  -5.207 -14.004
  209    H    THR  26           H        THR  26  -2.159  -6.846 -14.560
  210    HA   THR  26           HA       THR  26  -0.683  -6.532 -17.072
  211    HB   THR  26           HB       THR  26  -2.704  -8.672 -16.346
  212    HG1  THR  26           HG1      THR  26  -1.213  -8.849 -14.793
  213   1HG2  THR  26          1HG2      THR  26  -2.006  -8.488 -18.733
  214   2HG2  THR  26          3HG2      THR  26  -0.329  -8.686 -18.227
  215   3HG2  THR  26          2HG2      THR  26  -1.482  -9.999 -17.988
  216    H    SER  27           H        SER  27  -4.096  -6.585 -16.056
  217    HA   SER  27           HA       SER  27  -5.037  -6.061 -18.779
  218   1HB   SER  27          2HB       SER  27  -6.211  -6.779 -16.212
  219   2HB   SER  27          1HB       SER  27  -7.139  -5.516 -17.018
  220    HG   SER  27           HG       SER  27  -6.851  -8.149 -17.641
  221    H    GLY  28           H        GLY  28  -3.614  -4.095 -16.443
  222   1HA   GLY  28          2HA       GLY  28  -3.334  -1.754 -16.464
  223   2HA   GLY  28          1HA       GLY  28  -4.417  -1.679 -17.855
  224    H    GLU  29           H        GLU  29  -4.554  -2.419 -14.352
  225    HA   GLU  29           HA       GLU  29  -6.659  -0.470 -13.919
  226   1HB   GLU  29          2HB       GLU  29  -7.641  -2.748 -14.988
  227   2HB   GLU  29          1HB       GLU  29  -7.643  -3.204 -13.284
  228   1HG   GLU  29          2HG       GLU  29  -8.968  -1.245 -12.711
  229   2HG   GLU  29          1HG       GLU  29  -8.875  -0.656 -14.370
  230    H    SER  30           H        SER  30  -5.284  -3.526 -12.654
  231    HA   SER  30           HA       SER  30  -5.522  -2.522  -9.892
  232   1HB   SER  30          2HB       SER  30  -4.032  -5.030 -10.543
  233   2HB   SER  30          1HB       SER  30  -5.135  -4.694  -9.212
  234    HG   SER  30           HG       SER  30  -6.837  -4.997 -10.538
  235    H    ILE  31           H        ILE  31  -3.261  -3.380  -8.642
  236    HA   ILE  31           HA       ILE  31  -1.037  -1.954 -10.045
  237    HB   ILE  31           HB       ILE  31  -1.668  -1.842  -7.079
  238   1HG1  ILE  31          2HG1      ILE  31  -1.923   0.389  -9.113
  239   2HG1  ILE  31          1HG1      ILE  31  -3.281  -0.649  -8.681
  240   1HG2  ILE  31          3HG2      ILE  31   0.472  -0.649  -8.841
  241   2HG2  ILE  31          2HG2      ILE  31   0.003   0.138  -7.335
  242   3HG2  ILE  31          1HG2      ILE  31   0.654  -1.500  -7.307
  243   1HD1  ILE  31          1HD1      ILE  31  -1.661   1.002  -6.720
  244   2HD1  ILE  31          3HD1      ILE  31  -3.258   1.432  -7.333
  245   3HD1  ILE  31          2HD1      ILE  31  -3.056   0.000  -6.324
  246    H    VAL  32           H        VAL  32   1.124  -2.625  -9.334
  247    HA   VAL  32           HA       VAL  32   1.253  -5.231  -7.903
  248    HB   VAL  32           HB       VAL  32   2.608  -4.701 -10.568
  249   1HG1  VAL  32          2HG1      VAL  32   3.816  -6.222  -9.007
  250   2HG1  VAL  32          1HG1      VAL  32   2.372  -7.230  -8.908
  251   3HG1  VAL  32          3HG1      VAL  32   3.228  -7.063 -10.440
  252   1HG2  VAL  32          2HG2      VAL  32   0.138  -6.287  -9.824
  253   2HG2  VAL  32          1HG2      VAL  32   0.266  -4.980 -11.002
  254   3HG2  VAL  32          3HG2      VAL  32   1.018  -6.541 -11.331
  255    H    VAL  33           H        VAL  33   2.916  -5.188  -6.443
  256    HA   VAL  33           HA       VAL  33   5.000  -3.067  -6.796
  257    HB   VAL  33           HB       VAL  33   4.026  -4.319  -4.210
  258   1HG1  VAL  33          2HG1      VAL  33   6.363  -3.517  -4.141
  259   2HG1  VAL  33          1HG1      VAL  33   5.842  -1.946  -4.752
  260   3HG1  VAL  33          3HG1      VAL  33   5.316  -2.493  -3.160
  261   1HG2  VAL  33          3HG2      VAL  33   3.189  -1.916  -5.774
  262   2HG2  VAL  33          2HG2      VAL  33   2.227  -2.975  -4.744
  263   3HG2  VAL  33          1HG2      VAL  33   3.274  -1.755  -4.020
  264    HA   PRO  34           HA       PRO  34   7.260  -7.009  -6.933
  265   1HB   PRO  34          2HB       PRO  34   9.214  -6.187  -8.675
  266   2HB   PRO  34          1HB       PRO  34   7.668  -6.874  -9.203
  267   1HG   PRO  34          2HG       PRO  34   8.589  -4.048  -9.282
  268   2HG   PRO  34          1HG       PRO  34   7.386  -4.867 -10.292
  269   1HD   PRO  34          2HD       PRO  34   6.841  -3.136  -8.118
  270   2HD   PRO  34          1HD       PRO  34   5.673  -4.182  -8.946
  271    H    ASN  35           H        ASN  35   8.423  -3.678  -6.732
  272    HA   ASN  35           HA       ASN  35  10.530  -4.571  -4.808
  273   1HB   ASN  35          2HB       ASN  35  10.581  -2.712  -7.065
  274   2HB   ASN  35          1HB       ASN  35  11.135  -1.944  -5.579
  275   1HD2  ASN  35          2HD2      ASN  35  13.985  -3.768  -7.297
  276   2HD2  ASN  35          1HD2      ASN  35  12.851  -2.639  -7.861
  277    H    ARG  36           H        ARG  36   8.740  -4.520  -3.201
  278    HA   ARG  36           HA       ARG  36   7.538  -1.926  -2.558
  279   1HB   ARG  36          2HB       ARG  36   6.443  -4.225  -2.227
  280   2HB   ARG  36          1HB       ARG  36   7.507  -4.409  -0.831
  281   1HG   ARG  36          2HG       ARG  36   6.463  -1.868  -0.464
  282   2HG   ARG  36          1HG       ARG  36   5.096  -2.756  -1.139
  283   1HD   ARG  36          2HD       ARG  36   4.772  -3.418   1.017
  284   2HD   ARG  36          1HD       ARG  36   6.053  -4.576   0.659
  285    HE   ARG  36           HE       ARG  36   6.819  -1.915   1.741
  286   1HH1  ARG  36          1HH2      ARG  36   8.824  -4.079   1.543
  287   2HH1  ARG  36          2HH2      ARG  36   8.826  -4.748   3.141
  288   1HH2  ARG  36          2HH1      ARG  36   5.799  -3.308   4.029
  289   2HH2  ARG  36          1HH1      ARG  36   7.113  -4.311   4.548
  290    H    GLU  37           H        GLU  37  10.299  -3.797  -1.524
  291    HA   GLU  37           HA       GLU  37  10.698  -2.567   1.033
  292   1HB   GLU  37          2HB       GLU  37  13.011  -3.420   0.849
  293   2HB   GLU  37          1HB       GLU  37  11.840  -4.650   0.375
  294   1HG   GLU  37          2HG       GLU  37  12.201  -3.994  -2.022
  295   2HG   GLU  37          1HG       GLU  37  13.471  -2.894  -1.485
  296    H    ARG  38           H        ARG  38  11.715  -1.630  -2.230
  297    HA   ARG  38           HA       ARG  38  13.176   0.700  -1.114
  298   1HB   ARG  38          2HB       ARG  38  13.532  -0.966  -3.387
  299   2HB   ARG  38          1HB       ARG  38  13.134   0.635  -4.005
  300   1HG   ARG  38          2HG       ARG  38  15.100   1.530  -3.300
  301   2HG   ARG  38          1HG       ARG  38  15.053   0.664  -1.766
  302   1HD   ARG  38          2HD       ARG  38  16.697  -0.641  -2.604
  303   2HD   ARG  38          1HD       ARG  38  15.465  -1.356  -3.643
  304    HE   ARG  38           HE       ARG  38  16.121   0.641  -5.227
  305   1HH1  ARG  38          1HH2      ARG  38  18.358   1.910  -4.532
  306   2HH1  ARG  38          2HH2      ARG  38  19.709   0.864  -4.819
  307   1HH2  ARG  38          2HH1      ARG  38  17.782  -2.015  -4.968
  308   2HH2  ARG  38          1HH1      ARG  38  19.382  -1.360  -5.065
  309    H    PHE  39           H        PHE  39  10.238  -0.094  -2.844
  310    HA   PHE  39           HA       PHE  39   9.600   2.453  -3.925
  311   1HB   PHE  39          2HB       PHE  39   8.291   0.562  -4.600
  312   2HB   PHE  39          1HB       PHE  39   7.887   0.156  -2.936
  313    HD1  PHE  39           HD2      PHE  39   6.397   1.716  -1.613
  314    HD2  PHE  39           HD1      PHE  39   6.939   2.097  -5.864
  315    HE1  PHE  39           HE2      PHE  39   4.323   3.073  -1.761
  316    HE2  PHE  39           HE1      PHE  39   4.869   3.454  -6.004
  317    HZ   PHE  39           HZ       PHE  39   3.564   3.938  -3.953
  318    H    VAL  40           H        VAL  40   8.994   1.133  -0.661
  319    HA   VAL  40           HA       VAL  40   7.462   3.420   0.198
  320    HB   VAL  40           HB       VAL  40   8.983   1.433   1.909
  321   1HG1  VAL  40          3HG1      VAL  40   6.671   3.313   2.470
  322   2HG1  VAL  40          2HG1      VAL  40   7.187   2.034   3.568
  323   3HG1  VAL  40          1HG1      VAL  40   8.280   3.366   3.191
  324   1HG2  VAL  40          3HG2      VAL  40   6.451   1.266   0.361
  325   2HG2  VAL  40          2HG2      VAL  40   7.551  -0.018   0.859
  326   3HG2  VAL  40          1HG2      VAL  40   6.391   0.642   2.010
  327    H    GLN  41           H        GLN  41  10.788   2.412   0.952
  328    HA   GLN  41           HA       GLN  41  11.508   4.670   2.490
  329   1HB   GLN  41          2HB       GLN  41  12.800   2.522   2.275
  330   2HB   GLN  41          1HB       GLN  41  13.392   3.106   0.718
  331   1HG   GLN  41          2HG       GLN  41  14.409   5.046   1.771
  332   2HG   GLN  41          1HG       GLN  41  13.706   4.614   3.330
  333   1HE2  GLN  41          2HE2      GLN  41  15.983   1.833   3.815
  334   2HE2  GLN  41          1HE2      GLN  41  14.368   2.277   4.093
  335    H    GLU  42           H        GLU  42  11.268   4.463  -1.018
  336    HA   GLU  42           HA       GLU  42  12.589   7.152  -1.157
  337   1HB   GLU  42          2HB       GLU  42  12.467   4.912  -3.179
  338   2HB   GLU  42          1HB       GLU  42  12.992   6.544  -3.588
  339   1HG   GLU  42          2HG       GLU  42  14.225   5.095  -1.255
  340   2HG   GLU  42          1HG       GLU  42  14.799   4.795  -2.896
  341    H    VAL  43           H        VAL  43  10.067   5.216  -2.800
  342    HA   VAL  43           HA       VAL  43   8.926   7.595  -4.028
  343    HB   VAL  43           HB       VAL  43   7.704   4.831  -3.842
  344   1HG1  VAL  43          1HG1      VAL  43   7.217   7.295  -5.505
  345   2HG1  VAL  43          3HG1      VAL  43   6.786   5.698  -6.118
  346   3HG1  VAL  43          2HG1      VAL  43   6.049   6.300  -4.634
  347   1HG2  VAL  43          3HG2      VAL  43  10.003   4.768  -4.789
  348   2HG2  VAL  43          2HG2      VAL  43   8.786   4.418  -6.016
  349   3HG2  VAL  43          1HG2      VAL  43   9.543   6.008  -5.955
  350    H    LEU  44           H        LEU  44   8.575   6.305  -0.874
  351    HA   LEU  44           HA       LEU  44   5.750   7.101  -0.616
  352   1HB   LEU  44          2HB       LEU  44   6.948   5.223   0.723
  353   2HB   LEU  44          1HB       LEU  44   7.553   6.534   1.727
  354    HG   LEU  44           HG       LEU  44   5.107   7.319   1.873
  355   1HD1  LEU  44          3HD1      LEU  44   4.864   4.813   0.336
  356   2HD1  LEU  44          2HD1      LEU  44   3.767   4.923   1.713
  357   3HD1  LEU  44          1HD1      LEU  44   3.745   6.171   0.467
  358   1HD2  LEU  44          2HD2      LEU  44   6.582   5.289   3.326
  359   2HD2  LEU  44          1HD2      LEU  44   5.440   6.483   3.943
  360   3HD2  LEU  44          3HD2      LEU  44   4.858   4.922   3.369
  361    HA   PRO  45           HA       PRO  45   7.640  10.591   1.980
  362   1HB   PRO  45          2HB       PRO  45  10.308  11.161   1.713
  363   2HB   PRO  45          1HB       PRO  45   9.656  10.119   2.990
  364   1HG   PRO  45          2HG       PRO  45  11.158   9.366   0.534
  365   2HG   PRO  45          1HG       PRO  45  11.045   8.519   2.087
  366   1HD   PRO  45          2HD       PRO  45   9.646   7.851  -0.265
  367   2HD   PRO  45          1HD       PRO  45   9.310   7.238   1.359
  368    H    LYS  46           H        LYS  46   8.846   9.828  -1.222
  369    HA   LYS  46           HA       LYS  46   9.502  12.401  -2.196
  370   1HB   LYS  46          2HB       LYS  46   9.052   9.799  -3.292
  371   2HB   LYS  46          1HB       LYS  46   8.118  10.942  -4.255
  372   1HG   LYS  46          2HG       LYS  46  10.074  12.274  -4.710
  373   2HG   LYS  46          1HG       LYS  46  11.035  11.356  -3.551
  374   1HD   LYS  46          2HD       LYS  46  11.237   9.528  -4.951
  375   2HD   LYS  46          1HD       LYS  46   9.710   9.856  -5.769
  376   1HE   LYS  46          2HE       LYS  46  11.949  11.824  -6.060
  377   2HE   LYS  46          1HE       LYS  46  12.007  10.328  -6.993
  378   1HZ   LYS  46          2HZ       LYS  46   9.571  10.948  -7.549
  379   2HZ   LYS  46          1HZ       LYS  46  10.051  12.518  -7.113
  380   3HZ   LYS  46          3HZ       LYS  46  10.840  11.713  -8.379
  381    H    TYR  47           H        TYR  47   6.372  10.943  -1.583
  382    HA   TYR  47           HA       TYR  47   5.042  13.378  -2.698
  383   1HB   TYR  47          2HB       TYR  47   3.918  10.630  -2.059
  384   2HB   TYR  47          1HB       TYR  47   2.963  11.995  -2.636
  385    HD1  TYR  47           HD2      TYR  47   5.989   9.967  -3.516
  386    HD2  TYR  47           HD1      TYR  47   2.707  12.347  -4.937
  387    HE1  TYR  47           HE2      TYR  47   6.596   9.409  -5.855
  388    HE2  TYR  47           HE1      TYR  47   3.314  11.789  -7.276
  389    HH   TYR  47           HH       TYR  47   6.243  10.523  -8.160
  390    H    PHE  48           H        PHE  48   4.549  11.040  -0.033
  391    HA   PHE  48           HA       PHE  48   3.318  13.140   1.621
  392   1HB   PHE  48          2HB       PHE  48   3.813  10.181   1.974
  393   2HB   PHE  48          1HB       PHE  48   3.254  11.183   3.312
  394    HD1  PHE  48           HD1      PHE  48   1.345  12.995   2.323
  395    HD2  PHE  48           HD2      PHE  48   2.087   8.979   0.985
  396    HE1  PHE  48           HE1      PHE  48  -0.975  12.856   1.456
  397    HE2  PHE  48           HE2      PHE  48  -0.232   8.842   0.116
  398    HZ   PHE  48           HZ       PHE  48  -1.763  10.780   0.352
  399    H    LYS  49           H        LYS  49   4.209  12.701   4.135
  400    HA   LYS  49           HA       LYS  49   7.181  12.907   4.020
  401   1HB   LYS  49          2HB       LYS  49   6.613  14.680   6.029
  402   2HB   LYS  49          1HB       LYS  49   6.961  15.147   4.372
  403   1HG   LYS  49          2HG       LYS  49   4.138  14.536   5.257
  404   2HG   LYS  49          1HG       LYS  49   4.843  16.137   5.478
  405   1HD   LYS  49          2HD       LYS  49   5.517  15.670   2.887
  406   2HD   LYS  49          1HD       LYS  49   4.005  14.769   2.984
  407   1HE   LYS  49          2HE       LYS  49   2.954  16.831   4.014
  408   2HE   LYS  49          1HE       LYS  49   4.439  17.697   3.617
  409   1HZ   LYS  49          2HZ       LYS  49   4.074  16.838   1.277
  410   2HZ   LYS  49          1HZ       LYS  49   2.498  16.444   1.772
  411   3HZ   LYS  49          3HZ       LYS  49   3.020  18.057   1.815
  412    H    HIS  50           H        HIS  50   4.668  13.150   6.558
  413    HA   HIS  50           HA       HIS  50   6.216  11.166   8.140
  414   1HB   HIS  50          2HB       HIS  50   3.947  13.026   8.902
  415   2HB   HIS  50          1HB       HIS  50   4.723  11.894  10.011
  416    HD1  HIS  50           HD1      HIS  50   5.480  14.962   7.927
  417    HD2  HIS  50           HD2      HIS  50   7.217  12.732  10.991
  418    HE1  HIS  50           HE1      HIS  50   7.498  16.276   8.714
  419    H    SER  51           H        SER  51   4.742  10.222   5.879
  420    HA   SER  51           HA       SER  51   2.337   8.925   7.049
  421   1HB   SER  51          2HB       SER  51   1.745   8.334   4.805
  422   2HB   SER  51          1HB       SER  51   2.335   9.991   4.723
  423    HG   SER  51           HG       SER  51   3.176   8.137   3.247
  424    H    ASN  52           H        ASN  52   2.439   6.533   5.507
  425    HA   ASN  52           HA       ASN  52   4.950   5.146   5.858
  426   1HB   ASN  52          2HB       ASN  52   3.919   5.488   8.250
  427   2HB   ASN  52          1HB       ASN  52   2.834   4.185   7.763
  428   1HD2  ASN  52          2HD2      ASN  52   5.368   1.962   8.910
  429   2HD2  ASN  52          1HD2      ASN  52   3.787   2.530   9.151
  430    H    PHE  53           H        PHE  53   4.688   2.791   5.357
  431    HA   PHE  53           HA       PHE  53   3.044   2.333   3.102
  432   1HB   PHE  53          2HB       PHE  53   3.485  -0.134   3.596
  433   2HB   PHE  53          1HB       PHE  53   4.916   0.881   3.431
  434    HD1  PHE  53           HD1      PHE  53   2.603  -0.639   5.939
  435    HD2  PHE  53           HD2      PHE  53   6.457   1.111   5.215
  436    HE1  PHE  53           HE1      PHE  53   3.323  -1.283   8.224
  437    HE2  PHE  53           HE2      PHE  53   7.178   0.469   7.500
  438    HZ   PHE  53           HZ       PHE  53   5.611  -0.728   9.003
  439    H    ALA  54           H        ALA  54   2.367   1.885   6.521
  440    HA   ALA  54           HA       ALA  54  -0.023   0.296   6.181
  441   1HB   ALA  54          1HB       ALA  54   1.270   0.483   8.324
  442   2HB   ALA  54          3HB       ALA  54   0.691   2.142   8.480
  443   3HB   ALA  54          2HB       ALA  54  -0.454   0.800   8.521
  444    H    SER  55           H        SER  55   0.618   3.775   6.426
  445    HA   SER  55           HA       SER  55  -2.167   4.558   6.470
  446   1HB   SER  55          2HB       SER  55   0.461   5.889   6.297
  447   2HB   SER  55          1HB       SER  55  -0.841   6.745   5.478
  448    HG   SER  55           HG       SER  55  -0.955   7.408   7.552
  449    H    PHE  56           H        PHE  56   0.095   3.733   3.932
  450    HA   PHE  56           HA       PHE  56  -1.378   5.013   1.780
  451   1HB   PHE  56          2HB       PHE  56   1.054   4.413   1.653
  452   2HB   PHE  56          1HB       PHE  56   0.593   2.713   1.626
  453    HD1  PHE  56           HD2      PHE  56  -0.931   5.701  -0.049
  454    HD2  PHE  56           HD1      PHE  56   1.013   1.902  -0.536
  455    HE1  PHE  56           HE2      PHE  56  -1.274   5.840  -2.501
  456    HE2  PHE  56           HE1      PHE  56   0.671   2.043  -2.989
  457    HZ   PHE  56           HZ       PHE  56  -0.474   4.012  -3.972
  458    H    VAL  57           H        VAL  57  -1.117   1.652   2.941
  459    HA   VAL  57           HA       VAL  57  -3.015   0.579   1.061
  460    HB   VAL  57           HB       VAL  57  -2.241  -0.491   3.793
  461   1HG1  VAL  57          2HG1      VAL  57  -3.460  -1.782   1.334
  462   2HG1  VAL  57          1HG1      VAL  57  -2.811  -2.689   2.701
  463   3HG1  VAL  57          3HG1      VAL  57  -4.199  -1.625   2.928
  464   1HG2  VAL  57          3HG2      VAL  57  -0.320  -0.007   2.223
  465   2HG2  VAL  57          2HG2      VAL  57  -0.488  -1.708   2.654
  466   3HG2  VAL  57          1HG2      VAL  57  -1.047  -1.137   1.082
  467    H    ARG  58           H        ARG  58  -3.329   2.105   4.212
  468    HA   ARG  58           HA       ARG  58  -6.055   1.280   4.702
  469   1HB   ARG  58          2HB       ARG  58  -4.410   2.196   6.421
  470   2HB   ARG  58          1HB       ARG  58  -4.732   3.794   5.744
  471   1HG   ARG  58          2HG       ARG  58  -6.258   3.594   7.549
  472   2HG   ARG  58          1HG       ARG  58  -7.224   3.254   6.111
  473   1HD   ARG  58          2HD       ARG  58  -7.410   1.007   6.594
  474   2HD   ARG  58          1HD       ARG  58  -5.858   0.950   7.431
  475    HE   ARG  58           HE       ARG  58  -7.367   2.500   9.112
  476   1HH1  ARG  58          1HH2      ARG  58  -9.201   0.434   7.344
  477   2HH1  ARG  58          2HH2      ARG  58  -9.652  -0.618   8.644
  478   1HH2  ARG  58          2HH1      ARG  58  -7.378   0.733  10.883
  479   2HH2  ARG  58          1HH1      ARG  58  -8.622  -0.448  10.645
  480    H    GLN  59           H        GLN  59  -4.614   4.259   3.369
  481    HA   GLN  59           HA       GLN  59  -7.050   5.659   2.897
  482   1HB   GLN  59          2HB       GLN  59  -4.350   5.751   1.546
  483   2HB   GLN  59          1HB       GLN  59  -5.669   6.824   1.080
  484   1HG   GLN  59          2HG       GLN  59  -4.494   6.592   3.867
  485   2HG   GLN  59          1HG       GLN  59  -4.163   7.894   2.727
  486   1HE2  GLN  59          2HE2      GLN  59  -6.954   8.960   5.015
  487   2HE2  GLN  59          1HE2      GLN  59  -5.361   8.434   5.272
  488    H    LEU  60           H        LEU  60  -5.298   3.268   0.973
  489    HA   LEU  60           HA       LEU  60  -6.833   3.535  -1.428
  490   1HB   LEU  60          2HB       LEU  60  -5.249   1.237  -0.255
  491   2HB   LEU  60          1HB       LEU  60  -6.013   1.153  -1.842
  492    HG   LEU  60           HG       LEU  60  -4.191   3.443  -1.128
  493   1HD1  LEU  60          3HD1      LEU  60  -3.497   0.617  -1.762
  494   2HD1  LEU  60          2HD1      LEU  60  -2.574   1.866  -2.599
  495   3HD1  LEU  60          1HD1      LEU  60  -2.594   1.817  -0.837
  496   1HD2  LEU  60          3HD2      LEU  60  -5.246   2.157  -3.651
  497   2HD2  LEU  60          2HD2      LEU  60  -5.401   3.836  -3.132
  498   3HD2  LEU  60          1HD2      LEU  60  -3.841   3.223  -3.683
  499    H    ASN  61           H        ASN  61  -7.185   1.340   1.369
  500    HA   ASN  61           HA       ASN  61  -9.515  -0.001   0.347
  501   1HB   ASN  61          2HB       ASN  61  -8.111   0.182   2.970
  502   2HB   ASN  61          1HB       ASN  61  -9.779  -0.394   2.982
  503   1HD2  ASN  61          2HD2      ASN  61  -6.863  -2.690   1.243
  504   2HD2  ASN  61          1HD2      ASN  61  -6.544  -1.066   1.622
  505    H    MET  62           H        MET  62  -9.096   3.090   1.888
  506    HA   MET  62           HA       MET  62 -11.891   3.255   2.781
  507   1HB   MET  62          2HB       MET  62  -9.527   5.113   2.837
  508   2HB   MET  62          1HB       MET  62 -11.148   5.727   3.158
  509   1HG   MET  62          2HG       MET  62 -11.431   4.060   4.953
  510   2HG   MET  62          1HG       MET  62  -9.810   3.440   4.634
  511   1HE   MET  62          2HE       MET  62 -10.469   4.036   7.358
  512   2HE   MET  62          1HE       MET  62 -10.165   5.629   8.044
  513   3HE   MET  62          3HE       MET  62 -11.642   5.328   7.118
  514    H    TYR  63           H        TYR  63 -10.288   3.743  -0.199
  515    HA   TYR  63           HA       TYR  63 -12.357   5.701  -1.079
  516   1HB   TYR  63          2HB       TYR  63  -9.630   4.965  -2.126
  517   2HB   TYR  63          1HB       TYR  63 -10.801   5.794  -3.154
  518    HD1  TYR  63           HD2      TYR  63 -12.120   7.755  -1.738
  519    HD2  TYR  63           HD1      TYR  63  -8.109   6.369  -1.066
  520    HE1  TYR  63           HE2      TYR  63 -11.559   9.909  -0.641
  521    HE2  TYR  63           HE1      TYR  63  -7.549   8.520   0.032
  522    HH   TYR  63           HH       TYR  63  -9.394  10.467   1.313
  523    H    GLY  64           H        GLY  64 -10.804   2.647  -2.082
  524   1HA   GLY  64          2HA       GLY  64 -13.012   1.175  -2.773
  525   2HA   GLY  64          1HA       GLY  64 -12.789   2.209  -4.185
  526    H    TRP  65           H        TRP  65 -10.389   0.634  -2.060
  527    HA   TRP  65           HA       TRP  65  -9.396  -0.851  -4.460
  528   1HB   TRP  65          2HB       TRP  65  -7.849   0.720  -2.400
  529   2HB   TRP  65          1HB       TRP  65  -7.084  -0.539  -3.368
  530    HD1  TRP  65           HD1      TRP  65  -8.869   2.846  -3.731
  531    HE1  TRP  65           HE1      TRP  65  -8.206   3.879  -6.001
  532    HE3  TRP  65           HE3      TRP  65  -6.190  -1.024  -5.708
  533    HZ2  TRP  65           HZ2      TRP  65  -6.731   3.153  -8.345
  534    HZ3  TRP  65           HZ3      TRP  65  -5.167  -0.827  -7.956
  535    HH2  TRP  65           HH2      TRP  65  -5.434   1.254  -9.276
  536    H    HIS  66           H        HIS  66  -7.732  -2.624  -3.571
  537    HA   HIS  66           HA       HIS  66  -8.495  -3.721  -0.951
  538   1HB   HIS  66          2HB       HIS  66  -9.307  -5.002  -3.564
  539   2HB   HIS  66          1HB       HIS  66  -9.104  -5.952  -2.093
  540    HD1  HIS  66           HD1      HIS  66 -11.745  -4.592  -3.866
  541    HD2  HIS  66           HD2      HIS  66 -10.618  -4.218   0.130
  542    HE1  HIS  66           HE1      HIS  66 -13.819  -3.877  -2.602
  543    H    LYS  67           H        LYS  67  -7.403  -6.067  -0.848
  544    HA   LYS  67           HA       LYS  67  -4.902  -6.212  -2.403
  545   1HB   LYS  67          2HB       LYS  67  -3.883  -6.693   0.120
  546   2HB   LYS  67          1HB       LYS  67  -3.663  -5.204  -0.786
  547   1HG   LYS  67          2HG       LYS  67  -4.432  -4.569   1.394
  548   2HG   LYS  67          1HG       LYS  67  -5.802  -4.356   0.307
  549   1HD   LYS  67          2HD       LYS  67  -6.591  -5.486   2.299
  550   2HD   LYS  67          1HD       LYS  67  -6.600  -6.647   0.973
  551   1HE   LYS  67          2HE       LYS  67  -4.999  -7.937   1.938
  552   2HE   LYS  67          1HE       LYS  67  -4.047  -6.541   2.441
  553   1HZ   LYS  67          2HZ       LYS  67  -6.589  -7.246   3.774
  554   2HZ   LYS  67          1HZ       LYS  67  -5.115  -7.941   4.251
  555   3HZ   LYS  67          3HZ       LYS  67  -5.329  -6.262   4.349
  556    H    VAL  68           H        VAL  68  -4.093  -8.336  -2.499
  557    HA   VAL  68           HA       VAL  68  -5.852 -10.389  -1.221
  558    HB   VAL  68           HB       VAL  68  -5.136 -11.871  -3.094
  559   1HG1  VAL  68          3HG1      VAL  68  -7.106 -10.100  -3.107
  560   2HG1  VAL  68          2HG1      VAL  68  -6.120  -9.336  -4.355
  561   3HG1  VAL  68          1HG1      VAL  68  -6.694 -10.989  -4.574
  562   1HG2  VAL  68          2HG2      VAL  68  -2.955 -10.662  -3.478
  563   2HG2  VAL  68          1HG2      VAL  68  -3.877 -10.949  -4.954
  564   3HG2  VAL  68          3HG2      VAL  68  -3.873  -9.348  -4.214
  565    H    GLN  69           H        GLN  69  -4.753 -12.450  -0.650
  566    HA   GLN  69           HA       GLN  69  -3.096 -13.621   0.520
  567   1HB   GLN  69          2HB       GLN  69  -1.593 -12.045  -1.518
  568   2HB   GLN  69          1HB       GLN  69  -0.662 -12.775  -0.208
  569   1HG   GLN  69          2HG       GLN  69  -1.191 -14.938  -0.848
  570   2HG   GLN  69          1HG       GLN  69  -2.713 -14.454  -1.597
  571   1HE2  GLN  69          2HE2      GLN  69   0.768 -14.128  -3.757
  572   2HE2  GLN  69          1HE2      GLN  69   0.846 -14.240  -2.066
  573    H    ASP  70           H        ASP  70  -3.750 -12.601   2.522
  574    HA   ASP  70           HA       ASP  70  -1.613 -11.337   3.939
  575   1HB   ASP  70          2HB       ASP  70  -2.499  -9.432   2.430
  576   2HB   ASP  70          1HB       ASP  70  -3.926  -9.452   3.464
  577    H    VAL  71           H        VAL  71  -2.914 -13.494   4.708
  578    HA   VAL  71           HA       VAL  71  -4.717 -12.541   6.891
  579    HB   VAL  71           HB       VAL  71  -6.032 -14.650   6.604
  580   1HG1  VAL  71          1HG1      VAL  71  -5.850 -12.780   4.223
  581   2HG1  VAL  71          3HG1      VAL  71  -7.186 -13.896   4.512
  582   3HG1  VAL  71          2HG1      VAL  71  -6.876 -12.579   5.643
  583   1HG2  VAL  71          1HG2      VAL  71  -4.340 -14.867   4.092
  584   2HG2  VAL  71          3HG2      VAL  71  -4.334 -15.990   5.452
  585   3HG2  VAL  71          2HG2      VAL  71  -5.765 -15.850   4.429
  586    H    LYS  72           H        LYS  72  -4.820 -14.119   8.711
  587    HA   LYS  72           HA       LYS  72  -2.152 -15.021   9.420
  588   1HB   LYS  72          2HB       LYS  72  -4.485 -14.316  10.804
  589   2HB   LYS  72          1HB       LYS  72  -4.281 -16.033  11.141
  590   1HG   LYS  72          2HG       LYS  72  -3.060 -14.823  12.828
  591   2HG   LYS  72          1HG       LYS  72  -1.874 -15.538  11.738
  592   1HD   LYS  72          2HD       LYS  72  -1.129 -13.517  11.035
  593   2HD   LYS  72          1HD       LYS  72  -2.762 -12.874  10.874
  594   1HE   LYS  72          2HE       LYS  72  -1.911 -11.572  12.617
  595   2HE   LYS  72          1HE       LYS  72  -2.728 -12.864  13.497
  596   1HZ   LYS  72          2HZ       LYS  72  -0.567 -14.051  13.543
  597   2HZ   LYS  72          1HZ       LYS  72   0.170 -12.668  12.889
  598   3HZ   LYS  72          3HZ       LYS  72  -0.565 -12.593  14.416
  599    H    SER  73           H        SER  73  -4.810 -16.498   7.788
  600    HA   SER  73           HA       SER  73  -4.036 -19.234   8.567
  601   1HB   SER  73          2HB       SER  73  -5.946 -18.670   6.333
  602   2HB   SER  73          1HB       SER  73  -6.002 -19.930   7.562
  603    HG   SER  73           HG       SER  73  -6.510 -18.294   9.082
  604    H    GLY  74           H        GLY  74  -1.791 -18.645   7.649
  605   1HA   GLY  74          2HA       GLY  74  -1.689 -19.611   4.835
  606   2HA   GLY  74          1HA       GLY  74  -0.793 -18.152   5.264
  607    H    SER  75           H        SER  75  -1.072 -21.618   5.930
  608    HA   SER  75           HA       SER  75   1.241 -21.769   7.647
  609   1HB   SER  75          2HB       SER  75   0.220 -24.032   5.929
  610   2HB   SER  75          1HB       SER  75   0.995 -24.123   7.509
  611    HG   SER  75           HG       SER  75  -1.450 -24.270   7.273
  612    H    MET  76           H        MET  76   0.749 -21.990   4.158
  613    HA   MET  76           HA       MET  76   3.386 -22.954   3.521
  614   1HB   MET  76          2HB       MET  76   1.098 -21.775   2.034
  615   2HB   MET  76          1HB       MET  76   2.683 -21.600   1.279
  616   1HG   MET  76          2HG       MET  76   3.033 -24.070   1.612
  617   2HG   MET  76          1HG       MET  76   1.360 -24.181   2.159
  618   1HE   MET  76          2HE       MET  76   3.702 -24.636  -0.309
  619   2HE   MET  76          1HE       MET  76   2.997 -24.432  -1.911
  620   3HE   MET  76          3HE       MET  76   3.629 -23.032  -1.034
  621    H    LEU  77           H        LEU  77   2.260 -19.735   2.475
  622    HA   LEU  77           HA       LEU  77   4.906 -18.614   2.678
  623   1HB   LEU  77          2HB       LEU  77   2.201 -17.659   1.971
  624   2HB   LEU  77          1HB       LEU  77   3.235 -16.427   2.696
  625    HG   LEU  77           HG       LEU  77   5.011 -17.515   0.988
  626   1HD1  LEU  77          2HD1      LEU  77   2.893 -18.979   0.257
  627   2HD1  LEU  77          1HD1      LEU  77   2.577 -17.560  -0.742
  628   3HD1  LEU  77          3HD1      LEU  77   4.095 -18.440  -0.917
  629   1HD2  LEU  77          1HD2      LEU  77   2.896 -15.425   0.400
  630   2HD2  LEU  77          3HD2      LEU  77   4.512 -15.154   1.049
  631   3HD2  LEU  77          2HD2      LEU  77   4.311 -15.690  -0.617
  632    H    SER  78           H        SER  78   5.925 -17.909   4.480
  633    HA   SER  78           HA       SER  78   4.789 -18.111   7.078
  634   1HB   SER  78          2HB       SER  78   6.834 -16.535   7.627
  635   2HB   SER  78          1HB       SER  78   7.108 -18.192   7.100
  636    HG   SER  78           HG       SER  78   8.352 -16.611   5.944
  637    H    ASN  79           H        ASN  79   6.060 -14.967   5.974
  638    HA   ASN  79           HA       ASN  79   3.429 -13.721   6.582
  639   1HB   ASN  79          2HB       ASN  79   6.060 -12.869   7.830
  640   2HB   ASN  79          1HB       ASN  79   4.524 -12.018   8.003
  641   1HD2  ASN  79          2HD2      ASN  79   5.149 -15.495  10.075
  642   2HD2  ASN  79          1HD2      ASN  79   6.212 -15.051   8.829
  643    H    ASN  80           H        ASN  80   3.245 -13.191   4.355
  644    HA   ASN  80           HA       ASN  80   3.565 -11.877   2.437
  645   1HB   ASN  80          2HB       ASN  80   4.595 -10.218   4.690
  646   2HB   ASN  80          1HB       ASN  80   5.011  -9.701   3.056
  647   1HD2  ASN  80          2HD2      ASN  80   1.478  -8.624   4.337
  648   2HD2  ASN  80          1HD2      ASN  80   2.877  -8.856   5.269
  649    H    ASP  81           H        ASP  81   5.542 -10.627   1.238
  650    HA   ASP  81           HA       ASP  81   8.133 -11.922   1.738
  651   1HB   ASP  81          2HB       ASP  81   6.711 -13.534   0.349
  652   2HB   ASP  81          1HB       ASP  81   6.807 -12.341  -0.946
  653    H    SER  82           H        SER  82   6.261 -10.073  -0.702
  654    HA   SER  82           HA       SER  82   7.739  -7.682  -0.523
  655   1HB   SER  82          2HB       SER  82   9.083  -9.780  -2.122
  656   2HB   SER  82          1HB       SER  82   8.973  -8.205  -2.899
  657    HG   SER  82           HG       SER  82  10.676  -7.854  -1.690
  658    H    ARG  83           H        ARG  83   5.918  -9.895  -2.564
  659    HA   ARG  83           HA       ARG  83   5.207  -7.808  -4.497
  660   1HB   ARG  83          2HB       ARG  83   4.150 -10.625  -4.114
  661   2HB   ARG  83          1HB       ARG  83   3.759  -9.570  -5.473
  662   1HG   ARG  83          2HG       ARG  83   6.370  -9.397  -5.726
  663   2HG   ARG  83          1HG       ARG  83   6.368 -10.897  -4.799
  664   1HD   ARG  83          2HD       ARG  83   4.882 -11.943  -6.444
  665   2HD   ARG  83          1HD       ARG  83   4.802 -10.435  -7.355
  666    HE   ARG  83           HE       ARG  83   7.117 -10.764  -8.015
  667   1HH1  ARG  83          2HH1      ARG  83   7.499 -12.459  -5.367
  668   2HH1  ARG  83          1HH1      ARG  83   7.941 -13.975  -6.079
  669   1HH2  ARG  83          1HH2      ARG  83   6.923 -13.078  -9.269
  670   2HH2  ARG  83          2HH2      ARG  83   7.615 -14.325  -8.287
  671    H    TRP  84           H        TRP  84   3.397  -6.563  -4.447
  672    HA   TRP  84           HA       TRP  84   1.208  -7.262  -2.549
  673   1HB   TRP  84          2HB       TRP  84   2.631  -4.594  -2.766
  674   2HB   TRP  84          1HB       TRP  84   1.052  -4.778  -2.006
  675    HD1  TRP  84           HD1      TRP  84   4.538  -6.417  -1.729
  676    HE1  TRP  84           HE1      TRP  84   5.007  -6.915   0.750
  677    HE3  TRP  84           HE3      TRP  84   0.147  -4.823   0.316
  678    HZ2  TRP  84           HZ2      TRP  84   3.677  -6.681   3.280
  679    HZ3  TRP  84           HZ3      TRP  84  -0.228  -4.969   2.760
  680    HH2  TRP  84           HH2      TRP  84   1.529  -5.896   4.244
  681    H    GLU  85           H        GLU  85  -0.577  -7.449  -3.846
  682    HA   GLU  85           HA       GLU  85  -0.734  -5.733  -6.281
  683   1HB   GLU  85          2HB       GLU  85  -1.694  -8.448  -5.569
  684   2HB   GLU  85          1HB       GLU  85  -2.790  -7.487  -6.560
  685   1HG   GLU  85          2HG       GLU  85  -0.731  -6.985  -8.032
  686   2HG   GLU  85          1HG       GLU  85   0.046  -8.321  -7.180
  687    H    PHE  86           H        PHE  86  -2.554  -4.432  -6.652
  688    HA   PHE  86           HA       PHE  86  -4.476  -4.201  -4.373
  689   1HB   PHE  86          2HB       PHE  86  -3.374  -1.940  -6.068
  690   2HB   PHE  86          1HB       PHE  86  -4.537  -1.772  -4.755
  691    HD1  PHE  86           HD1      PHE  86  -3.498  -3.555  -2.686
  692    HD2  PHE  86           HD2      PHE  86  -1.378  -0.935  -5.347
  693    HE1  PHE  86           HE1      PHE  86  -1.639  -3.401  -1.052
  694    HE2  PHE  86           HE2      PHE  86   0.483  -0.785  -3.716
  695    HZ   PHE  86           HZ       PHE  86   0.353  -2.018  -1.568
  696    H    GLU  87           H        GLU  87  -6.340  -5.047  -5.187
  697    HA   GLU  87           HA       GLU  87  -7.057  -4.501  -8.020
  698   1HB   GLU  87          2HB       GLU  87  -7.747  -6.586  -6.018
  699   2HB   GLU  87          1HB       GLU  87  -9.030  -6.129  -7.137
  700   1HG   GLU  87          2HG       GLU  87  -8.060  -7.296  -8.800
  701   2HG   GLU  87          1HG       GLU  87  -6.556  -6.400  -8.599
  702    H    ASN  88           H        ASN  88  -9.716  -4.437  -8.083
  703    HA   ASN  88           HA       ASN  88 -10.884  -2.771  -5.991
  704   1HB   ASN  88          2HB       ASN  88 -11.324  -0.843  -7.597
  705   2HB   ASN  88          1HB       ASN  88  -9.656  -0.999  -7.051
  706   1HD2  ASN  88          2HD2      ASN  88  -8.458  -1.283 -10.336
  707   2HD2  ASN  88          1HD2      ASN  88  -8.170  -0.838  -8.723
  708    H    GLU  89           H        GLU  89 -13.051  -1.737  -7.219
  709    HA   GLU  89           HA       GLU  89 -15.137  -2.287  -8.131
  710   1HB   GLU  89          2HB       GLU  89 -13.486  -2.771 -10.143
  711   2HB   GLU  89          1HB       GLU  89 -13.904  -4.451  -9.800
  712   1HG   GLU  89          2HG       GLU  89 -16.260  -3.996 -10.102
  713   2HG   GLU  89          1HG       GLU  89 -15.956  -2.263 -10.226
  714    H    ARG  90           H        ARG  90 -15.913  -3.189  -6.179
  715    HA   ARG  90           HA       ARG  90 -16.541  -6.031  -6.316
  716   1HB   ARG  90          2HB       ARG  90 -14.264  -5.109  -4.733
  717   2HB   ARG  90          1HB       ARG  90 -15.470  -5.910  -3.727
  718   1HG   ARG  90          2HG       ARG  90 -15.476  -7.799  -5.420
  719   2HG   ARG  90          1HG       ARG  90 -14.079  -7.029  -6.173
  720   1HD   ARG  90          2HD       ARG  90 -13.175  -7.036  -3.667
  721   2HD   ARG  90          1HD       ARG  90 -14.291  -8.395  -3.521
  722    HE   ARG  90           HE       ARG  90 -11.842  -8.334  -5.160
  723   1HH1  ARG  90          2HH1      ARG  90 -14.149  -9.493  -6.747
  724   2HH1  ARG  90          1HH1      ARG  90 -14.022 -11.176  -6.360
  725   1HH2  ARG  90          1HH2      ARG  90 -11.965 -10.663  -3.618
  726   2HH2  ARG  90          2HH2      ARG  90 -12.787 -11.839  -4.590
  727    H    HIS  91           H        HIS  91 -18.105  -6.618  -4.615
  728    HA   HIS  91           HA       HIS  91 -19.798  -4.336  -3.905
  729   1HB   HIS  91          2HB       HIS  91 -21.358  -6.057  -3.057
  730   2HB   HIS  91          1HB       HIS  91 -20.821  -6.433  -4.693
  731    HD1  HIS  91           HD1      HIS  91 -20.706  -7.666  -1.190
  732    HD2  HIS  91           HD2      HIS  91 -18.926  -8.628  -4.834
  733    HE1  HIS  91           HE1      HIS  91 -19.653  -9.950  -0.891
  734    H    ALA  92           HN       ALA  92 -17.493  -6.420  -2.297
  735    HA   ALA  92           HA       ALA  92 -18.337  -5.847   0.406
  736   1HB   ALA  92          1HB       ALA  92 -15.660  -6.748  -0.703
  737   2HB   ALA  92          3HB       ALA  92 -16.061  -6.690   1.013
  738   3HB   ALA  92          2HB       ALA  92 -16.932  -7.786  -0.059
   
  No H/Q in entry =         738
  Start of MODEL          18
 Raw file had  756 H/Q atoms
  Start of MODEL   18
    1   1H    ALA   1          3H        ALA   1 -11.596  12.821  -7.934
    2   2H    ALA   1          2H        ALA   1 -13.137  12.686  -8.637
    3   3H    ALA   1          1H        ALA   1 -11.756  12.775  -9.621
    4    HA   ALA   1           HA       ALA   1 -11.378  15.020  -9.111
    5   1HB   ALA   1          2HB       ALA   1 -13.326  14.466 -10.652
    6   2HB   ALA   1          1HB       ALA   1 -14.390  14.741  -9.273
    7   3HB   ALA   1          3HB       ALA   1 -13.396  16.059  -9.897
    8    H    ARG   2           H        ARG   2 -13.864  13.599  -7.007
    9    HA   ARG   2           HA       ARG   2 -13.911  15.922  -5.233
   10   1HB   ARG   2          2HB       ARG   2 -15.628  13.797  -5.694
   11   2HB   ARG   2          1HB       ARG   2 -14.927  13.390  -4.130
   12   1HG   ARG   2          2HG       ARG   2 -16.814  14.729  -3.606
   13   2HG   ARG   2          1HG       ARG   2 -15.439  15.827  -3.463
   14   1HD   ARG   2          2HD       ARG   2 -15.901  16.856  -5.548
   15   2HD   ARG   2          1HD       ARG   2 -16.971  15.548  -6.049
   16    HE   ARG   2           HE       ARG   2 -17.756  17.233  -3.721
   17   1HH1  ARG   2          2HH1      ARG   2 -18.942  15.147  -5.984
   18   2HH1  ARG   2          1HH1      ARG   2 -20.221  16.167  -6.554
   19   1HH2  ARG   2          1HH2      ARG   2 -19.094  18.976  -4.864
   20   2HH2  ARG   2          2HH2      ARG   2 -20.306  18.334  -5.920
   21    HA   PRO   3           HA       PRO   3 -11.448  13.075  -2.394
   22   1HB   PRO   3          2HB       PRO   3 -10.360  10.756  -3.363
   23   2HB   PRO   3          1HB       PRO   3 -11.948  10.840  -2.582
   24   1HG   PRO   3          2HG       PRO   3 -11.292  10.533  -5.468
   25   2HG   PRO   3          1HG       PRO   3 -12.731  10.004  -4.580
   26   1HD   PRO   3          2HD       PRO   3 -12.557  12.281  -6.234
   27   2HD   PRO   3          1HD       PRO   3 -13.858  11.927  -5.082
   28    H    ALA   4           H        ALA   4  -9.658  14.343  -2.280
   29    HA   ALA   4           HA       ALA   4  -7.934  14.948  -4.490
   30   1HB   ALA   4          2HB       ALA   4  -7.961  15.477  -1.566
   31   2HB   ALA   4          1HB       ALA   4  -6.388  15.565  -2.360
   32   3HB   ALA   4          3HB       ALA   4  -7.712  16.593  -2.910
   33    H    PHE   5           H        PHE   5  -7.963  12.331  -2.169
   34    HA   PHE   5           HA       PHE   5  -5.185  11.578  -2.465
   35   1HB   PHE   5          2HB       PHE   5  -6.614  10.823  -0.561
   36   2HB   PHE   5          1HB       PHE   5  -7.541   9.828  -1.685
   37    HD1  PHE   5           HD2      PHE   5  -4.136  10.383  -0.279
   38    HD2  PHE   5           HD1      PHE   5  -6.726   7.719  -2.435
   39    HE1  PHE   5           HE2      PHE   5  -2.430   8.591  -0.114
   40    HE2  PHE   5           HE1      PHE   5  -5.017   5.929  -2.275
   41    HZ   PHE   5           HZ       PHE   5  -2.869   6.366  -1.114
   42    H    VAL   6           H        VAL   6  -8.206  10.294  -3.928
   43    HA   VAL   6           HA       VAL   6  -6.996   8.355  -5.605
   44    HB   VAL   6           HB       VAL   6  -9.462  10.027  -6.197
   45   1HG1  VAL   6          2HG1      VAL   6  -8.392   8.647  -8.084
   46   2HG1  VAL   6          1HG1      VAL   6  -8.834   7.224  -7.140
   47   3HG1  VAL   6          3HG1      VAL   6 -10.088   8.316  -7.730
   48   1HG2  VAL   6          3HG2      VAL   6  -8.915   7.713  -4.399
   49   2HG2  VAL   6          2HG2      VAL   6 -10.098   9.009  -4.232
   50   3HG2  VAL   6          1HG2      VAL   6 -10.414   7.664  -5.326
   51    H    ASN   7           H        ASN   7  -7.650  11.805  -6.191
   52    HA   ASN   7           HA       ASN   7  -6.628  11.840  -8.884
   53   1HB   ASN   7          2HB       ASN   7  -7.000  13.991  -6.787
   54   2HB   ASN   7          1HB       ASN   7  -6.386  14.341  -8.402
   55   1HD2  ASN   7          2HD2      ASN   7  -9.600  14.322  -9.830
   56   2HD2  ASN   7          1HD2      ASN   7  -7.969  14.774  -9.955
   57    H    LYS   8           H        LYS   8  -5.144  12.057  -5.723
   58    HA   LYS   8           HA       LYS   8  -2.548  12.982  -6.655
   59   1HB   LYS   8          2HB       LYS   8  -3.320  13.407  -4.360
   60   2HB   LYS   8          1HB       LYS   8  -3.415  11.677  -4.054
   61   1HG   LYS   8          2HG       LYS   8  -0.782  12.296  -5.046
   62   2HG   LYS   8          1HG       LYS   8  -1.163  13.394  -3.724
   63   1HD   LYS   8          2HD       LYS   8  -1.714  11.514  -2.259
   64   2HD   LYS   8          1HD       LYS   8  -1.456  10.375  -3.582
   65   1HE   LYS   8          2HE       LYS   8   0.641  12.199  -2.367
   66   2HE   LYS   8          1HE       LYS   8   0.532  10.453  -2.152
   67   1HZ   LYS   8          2HZ       LYS   8   0.627  10.390  -4.697
   68   2HZ   LYS   8          1HZ       LYS   8   1.233  11.973  -4.578
   69   3HZ   LYS   8          3HZ       LYS   8   2.067  10.691  -3.845
   70    H    LEU   9           H        LEU   9  -4.137   9.899  -6.536
   71    HA   LEU   9           HA       LEU   9  -1.671   8.325  -6.445
   72   1HB   LEU   9          2HB       LEU   9  -3.898   7.547  -5.541
   73   2HB   LEU   9          1HB       LEU   9  -4.456   7.412  -7.208
   74    HG   LEU   9           HG       LEU   9  -2.552   5.869  -7.676
   75   1HD1  LEU   9          3HD1      LEU   9  -2.103   6.277  -4.715
   76   2HD1  LEU   9          2HD1      LEU   9  -1.482   4.866  -5.572
   77   3HD1  LEU   9          1HD1      LEU   9  -0.943   6.483  -6.027
   78   1HD2  LEU   9          3HD2      LEU   9  -4.937   5.226  -6.711
   79   2HD2  LEU   9          2HD2      LEU   9  -3.684   3.997  -6.875
   80   3HD2  LEU   9          1HD2      LEU   9  -3.995   4.734  -5.305
   81    H    TRP  10           H        TRP  10  -3.561   9.860  -8.925
   82    HA   TRP  10           HA       TRP  10  -2.664   8.088 -11.074
   83   1HB   TRP  10          2HB       TRP  10  -3.857  10.848 -11.389
   84   2HB   TRP  10          1HB       TRP  10  -3.864   9.530 -12.556
   85    HD1  TRP  10           HD1      TRP  10  -6.295  11.159 -10.746
   86    HE1  TRP  10           HE1      TRP  10  -8.170   9.633  -9.851
   87    HE3  TRP  10           HE3      TRP  10  -3.988   6.615 -11.111
   88    HZ2  TRP  10           HZ2      TRP  10  -8.632   6.855  -9.359
   89    HZ3  TRP  10           HZ3      TRP  10  -5.168   4.549 -10.420
   90    HH2  TRP  10           HH2      TRP  10  -7.485   4.663  -9.545
   91    H    SER  11           H        SER  11  -0.768  10.008  -9.326
   92    HA   SER  11           HA       SER  11   0.707  11.047 -11.709
   93   1HB   SER  11          2HB       SER  11   1.111  12.138  -8.937
   94   2HB   SER  11          1HB       SER  11   1.397  12.920 -10.490
   95    HG   SER  11           HG       SER  11  -0.926  12.659  -9.010
   96    H    MET  12           H        MET  12   0.936   9.377  -8.600
   97    HA   MET  12           HA       MET  12   3.832   8.952  -8.959
   98   1HB   MET  12          2HB       MET  12   3.740   7.859  -6.764
   99   2HB   MET  12          1HB       MET  12   2.944   9.429  -6.699
  100   1HG   MET  12          2HG       MET  12   1.257   8.247  -5.707
  101   2HG   MET  12          1HG       MET  12   0.829   7.847  -7.368
  102   1HE   MET  12          2HE       MET  12   2.577   7.226  -4.319
  103   2HE   MET  12          1HE       MET  12   2.422   5.503  -3.986
  104   3HE   MET  12          3HE       MET  12   3.836   6.118  -4.855
  105    H    VAL  13           H        VAL  13   0.804   7.085  -9.185
  106    HA   VAL  13           HA       VAL  13   2.138   4.530  -9.446
  107    HB   VAL  13           HB       VAL  13  -0.618   5.302 -10.455
  108   1HG1  VAL  13          3HG1      VAL  13   0.613   2.639  -9.664
  109   2HG1  VAL  13          2HG1      VAL  13  -1.067   2.885 -10.141
  110   3HG1  VAL  13          1HG1      VAL  13   0.226   3.142 -11.308
  111   1HG2  VAL  13          1HG2      VAL  13   0.304   4.247  -7.765
  112   2HG2  VAL  13          3HG2      VAL  13  -0.378   5.842  -8.075
  113   3HG2  VAL  13          2HG2      VAL  13  -1.379   4.401  -8.262
  114    H    ASN  14           H        ASN  14   1.965   7.179 -11.592
  115    HA   ASN  14           HA       ASN  14   1.671   5.944 -14.113
  116   1HB   ASN  14          2HB       ASN  14   3.355   8.309 -13.259
  117   2HB   ASN  14          1HB       ASN  14   3.173   7.820 -14.944
  118   1HD2  ASN  14          2HD2      ASN  14   0.128   9.543 -15.229
  119   2HD2  ASN  14          1HD2      ASN  14   1.546   8.978 -15.971
  120    H    ASP  15           H        ASP  15   4.976   7.073 -13.491
  121    HA   ASP  15           HA       ASP  15   6.443   4.815 -12.954
  122   1HB   ASP  15          2HB       ASP  15   7.078   4.016 -15.331
  123   2HB   ASP  15          1HB       ASP  15   5.559   3.436 -14.656
  124    H    LYS  16           H        LYS  16   6.156   7.715 -14.875
  125    HA   LYS  16           HA       LYS  16   8.774   7.962 -15.896
  126   1HB   LYS  16          2HB       LYS  16   6.675   9.921 -15.035
  127   2HB   LYS  16          1HB       LYS  16   8.286  10.521 -15.430
  128   1HG   LYS  16          2HG       LYS  16   7.184   8.575 -17.365
  129   2HG   LYS  16          1HG       LYS  16   6.307  10.100 -17.276
  130   1HD   LYS  16          2HD       LYS  16   9.145  10.638 -17.256
  131   2HD   LYS  16          1HD       LYS  16   8.765   9.581 -18.613
  132   1HE   LYS  16          2HE       LYS  16   6.733  11.596 -18.481
  133   2HE   LYS  16          1HE       LYS  16   8.301  12.394 -18.383
  134   1HZ   LYS  16          1HZ       LYS  16   7.764  10.295 -20.390
  135   2HZ   LYS  16          3HZ       LYS  16   7.364  11.917 -20.681
  136   3HZ   LYS  16          2HZ       LYS  16   8.980  11.480 -20.394
  137    H    SER  17           H        SER  17   7.568   8.807 -12.639
  138    HA   SER  17           HA       SER  17  10.403   9.316 -11.836
  139   1HB   SER  17          2HB       SER  17   8.226  10.928 -11.442
  140   2HB   SER  17          1HB       SER  17   8.260  10.029  -9.929
  141    HG   SER  17           HG       SER  17   9.588  11.871  -9.819
  142    H    ASN  18           H        ASN  18   9.148   6.667 -12.114
  143    HA   ASN  18           HA       ASN  18  10.198   5.318  -9.909
  144   1HB   ASN  18          2HB       ASN  18   7.917   4.620  -8.822
  145   2HB   ASN  18          1HB       ASN  18   8.660   6.140  -8.337
  146   1HD2  ASN  18          2HD2      ASN  18   5.675   7.821  -9.139
  147   2HD2  ASN  18          1HD2      ASN  18   6.925   7.563  -8.022
  148    H    GLU  19           H        GLU  19  10.097   4.851 -12.630
  149    HA   GLU  19           HA       GLU  19   8.047   2.956 -13.386
  150   1HB   GLU  19          2HB       GLU  19   9.255   4.152 -15.122
  151   2HB   GLU  19          1HB       GLU  19  10.797   3.538 -14.544
  152   1HG   GLU  19          2HG       GLU  19  10.099   2.272 -16.517
  153   2HG   GLU  19          1HG       GLU  19  10.035   1.224 -15.101
  154    H    LYS  20           H        LYS  20  11.113   2.690 -11.693
  155    HA   LYS  20           HA       LYS  20  11.028  -0.272 -11.898
  156   1HB   LYS  20          2HB       LYS  20  13.233  -0.147 -10.720
  157   2HB   LYS  20          1HB       LYS  20  13.209   0.734 -12.248
  158   1HG   LYS  20          2HG       LYS  20  13.526   2.736 -11.232
  159   2HG   LYS  20          1HG       LYS  20  12.359   2.374  -9.959
  160   1HD   LYS  20          2HD       LYS  20  14.539   2.591  -8.930
  161   2HD   LYS  20          1HD       LYS  20  14.086   0.887  -8.893
  162   1HE   LYS  20          2HE       LYS  20  15.493   1.589 -11.359
  163   2HE   LYS  20          1HE       LYS  20  16.459   1.925  -9.922
  164   1HZ   LYS  20          1HZ       LYS  20  15.934  -0.348  -9.151
  165   2HZ   LYS  20          3HZ       LYS  20  15.167  -0.651 -10.633
  166   3HZ   LYS  20          2HZ       LYS  20  16.833  -0.321 -10.593
  167    H    PHE  21           H        PHE  21   9.293   1.696 -10.097
  168    HA   PHE  21           HA       PHE  21   9.735   0.134  -7.581
  169   1HB   PHE  21          2HB       PHE  21   8.836   3.006  -7.941
  170   2HB   PHE  21          1HB       PHE  21   8.719   2.132  -6.415
  171    HD1  PHE  21           HD1      PHE  21  10.937   0.915  -5.640
  172    HD2  PHE  21           HD2      PHE  21  10.781   4.204  -8.391
  173    HE1  PHE  21           HE1      PHE  21  13.312   1.434  -5.153
  174    HE2  PHE  21           HE2      PHE  21  13.155   4.726  -7.908
  175    HZ   PHE  21           HZ       PHE  21  14.421   3.341  -6.287
  176    H    ILE  22           H        ILE  22   7.152   2.254  -8.844
  177    HA   ILE  22           HA       ILE  22   5.202   0.091  -8.191
  178    HB   ILE  22           HB       ILE  22   4.877   2.322  -7.106
  179   1HG1  ILE  22          2HG1      ILE  22   2.664   1.904  -9.108
  180   2HG1  ILE  22          1HG1      ILE  22   2.998   0.692  -7.870
  181   1HG2  ILE  22          2HG2      ILE  22   5.782   3.689  -8.991
  182   2HG2  ILE  22          1HG2      ILE  22   4.351   3.286  -9.937
  183   3HG2  ILE  22          3HG2      ILE  22   4.193   4.240  -8.462
  184   1HD1  ILE  22          2HD1      ILE  22   2.673   3.594  -7.129
  185   2HD1  ILE  22          1HD1      ILE  22   1.264   2.551  -7.324
  186   3HD1  ILE  22          3HD1      ILE  22   2.483   2.168  -6.110
  187    H    HIS  23           H        HIS  23   3.685  -0.564  -9.807
  188    HA   HIS  23           HA       HIS  23   3.619   0.664 -12.429
  189   1HB   HIS  23          2HB       HIS  23   5.873  -0.601 -12.294
  190   2HB   HIS  23          1HB       HIS  23   4.895  -2.065 -12.373
  191    HD1  HIS  23           HD1      HIS  23   5.132  -2.863 -14.728
  192    HD2  HIS  23           HD2      HIS  23   4.425   1.241 -14.553
  193    HE1  HIS  23           HE1      HIS  23   4.858  -2.083 -17.120
  194    H    TRP  24           H        TRP  24   1.997  -0.268 -13.750
  195    HA   TRP  24           HA       TRP  24  -0.042  -1.751 -12.309
  196   1HB   TRP  24          2HB       TRP  24   0.204  -0.904 -15.210
  197   2HB   TRP  24          1HB       TRP  24  -1.222  -1.702 -14.540
  198    HD1  TRP  24           HD1      TRP  24   0.868   1.507 -14.112
  199    HE1  TRP  24           HE1      TRP  24  -0.637   3.331 -13.076
  200    HE3  TRP  24           HE3      TRP  24  -3.366  -1.218 -13.251
  201    HZ2  TRP  24           HZ2      TRP  24  -3.282   3.597 -12.027
  202    HZ3  TRP  24           HZ3      TRP  24  -5.358  -0.155 -12.231
  203    HH2  TRP  24           HH2      TRP  24  -5.322   2.247 -11.620
  204    H    SER  25           H        SER  25  -0.944  -3.839 -13.201
  205    HA   SER  25           HA       SER  25   1.246  -5.735 -13.577
  206   1HB   SER  25          2HB       SER  25  -0.880  -6.107 -12.189
  207   2HB   SER  25          1HB       SER  25  -1.705  -6.366 -13.723
  208    HG   SER  25           HG       SER  25  -0.675  -8.209 -13.968
  209    H    THR  26           H        THR  26   2.138  -5.706 -15.598
  210    HA   THR  26           HA       THR  26   2.326  -5.965 -17.907
  211    HB   THR  26           HB       THR  26  -0.326  -7.393 -17.521
  212    HG1  THR  26           HG1      THR  26   2.374  -8.237 -17.479
  213   1HG2  THR  26          1HG2      THR  26   0.859  -6.671 -19.917
  214   2HG2  THR  26          3HG2      THR  26   1.492  -8.293 -19.641
  215   3HG2  THR  26          2HG2      THR  26  -0.249  -8.024 -19.698
  216    H    SER  27           H        SER  27  -1.212  -5.816 -18.197
  217    HA   SER  27           HA       SER  27  -1.165  -2.962 -18.864
  218   1HB   SER  27          2HB       SER  27  -2.226  -3.581 -21.171
  219   2HB   SER  27          1HB       SER  27  -0.473  -3.630 -21.003
  220    HG   SER  27           HG       SER  27  -2.235  -5.837 -20.670
  221    H    GLY  28           H        GLY  28  -2.545  -4.476 -16.887
  222   1HA   GLY  28          2HA       GLY  28  -5.345  -4.567 -17.914
  223   2HA   GLY  28          1HA       GLY  28  -4.788  -5.343 -16.430
  224    H    GLU  29           H        GLU  29  -5.650  -4.319 -14.695
  225    HA   GLU  29           HA       GLU  29  -5.356  -1.386 -14.476
  226   1HB   GLU  29          2HB       GLU  29  -7.625  -1.881 -15.512
  227   2HB   GLU  29          1HB       GLU  29  -8.046  -2.694 -14.005
  228   1HG   GLU  29          2HG       GLU  29  -8.829  -0.555 -13.561
  229   2HG   GLU  29          1HG       GLU  29  -7.190  -0.435 -12.922
  230    H    SER  30           H        SER  30  -3.868  -3.166 -13.081
  231    HA   SER  30           HA       SER  30  -5.001  -2.948 -10.330
  232   1HB   SER  30          2HB       SER  30  -3.742  -5.205  -9.941
  233   2HB   SER  30          1HB       SER  30  -5.322  -5.243 -10.715
  234    HG   SER  30           HG       SER  30  -2.785  -5.691 -11.766
  235    H    ILE  31           H        ILE  31  -3.385  -2.642  -8.697
  236    HA   ILE  31           HA       ILE  31  -0.783  -1.695  -9.800
  237    HB   ILE  31           HB       ILE  31  -1.939  -1.259  -7.026
  238   1HG1  ILE  31          2HG1      ILE  31  -1.881   0.631  -9.403
  239   2HG1  ILE  31          1HG1      ILE  31  -3.312  -0.258  -8.882
  240   1HG2  ILE  31          2HG2      ILE  31   0.333   0.076  -8.539
  241   2HG2  ILE  31          1HG2      ILE  31  -0.227   0.527  -6.929
  242   3HG2  ILE  31          3HG2      ILE  31   0.520  -1.048  -7.194
  243   1HD1  ILE  31          3HD1      ILE  31  -2.636   0.835  -6.526
  244   2HD1  ILE  31          2HD1      ILE  31  -1.943   2.054  -7.594
  245   3HD1  ILE  31          1HD1      ILE  31  -3.663   1.677  -7.688
  246    H    VAL  32           H        VAL  32   1.052  -2.834  -9.408
  247    HA   VAL  32           HA       VAL  32   0.948  -4.951  -7.295
  248    HB   VAL  32           HB       VAL  32   2.389  -5.142  -9.956
  249   1HG1  VAL  32          3HG1      VAL  32   3.075  -6.450  -7.765
  250   2HG1  VAL  32          2HG1      VAL  32   1.675  -7.442  -8.171
  251   3HG1  VAL  32          1HG1      VAL  32   3.008  -7.289  -9.315
  252   1HG2  VAL  32          3HG2      VAL  32  -0.334  -6.078  -9.049
  253   2HG2  VAL  32          2HG2      VAL  32   0.102  -5.243 -10.540
  254   3HG2  VAL  32          1HG2      VAL  32   0.541  -6.936 -10.318
  255    H    VAL  33           H        VAL  33   2.493  -4.671  -5.784
  256    HA   VAL  33           HA       VAL  33   4.855  -2.962  -6.457
  257    HB   VAL  33           HB       VAL  33   3.809  -3.800  -3.733
  258   1HG1  VAL  33          2HG1      VAL  33   5.919  -1.818  -4.632
  259   2HG1  VAL  33          1HG1      VAL  33   5.284  -1.896  -2.988
  260   3HG1  VAL  33          3HG1      VAL  33   6.169  -3.267  -3.658
  261   1HG2  VAL  33          2HG2      VAL  33   3.379  -1.314  -5.404
  262   2HG2  VAL  33          1HG2      VAL  33   2.156  -2.368  -4.691
  263   3HG2  VAL  33          3HG2      VAL  33   3.138  -1.331  -3.657
  264    HA   PRO  34           HA       PRO  34   6.636  -7.117  -6.252
  265   1HB   PRO  34          2HB       PRO  34   8.854  -6.602  -7.778
  266   2HB   PRO  34          1HB       PRO  34   7.283  -7.058  -8.458
  267   1HG   PRO  34          2HG       PRO  34   8.608  -4.397  -8.420
  268   2HG   PRO  34          1HG       PRO  34   7.413  -5.041  -9.557
  269   1HD   PRO  34          2HD       PRO  34   6.895  -3.232  -7.443
  270   2HD   PRO  34          1HD       PRO  34   5.683  -4.116  -8.390
  271    H    ASN  35           H        ASN  35   8.020  -3.981  -5.527
  272    HA   ASN  35           HA       ASN  35   9.667  -5.241  -3.406
  273   1HB   ASN  35          2HB       ASN  35  11.604  -3.744  -4.063
  274   2HB   ASN  35          1HB       ASN  35  11.271  -5.057  -5.191
  275   1HD2  ASN  35          2HD2      ASN  35  11.498  -2.352  -7.558
  276   2HD2  ASN  35          1HD2      ASN  35  12.421  -3.555  -6.794
  277    H    ARG  36           H        ARG  36   7.878  -4.219  -2.163
  278    HA   ARG  36           HA       ARG  36   7.612  -1.328  -2.146
  279   1HB   ARG  36          2HB       ARG  36   5.850  -3.041  -1.408
  280   2HB   ARG  36          1HB       ARG  36   6.779  -3.186   0.084
  281   1HG   ARG  36          2HG       ARG  36   6.507  -0.829   0.562
  282   2HG   ARG  36          1HG       ARG  36   5.761  -0.551  -1.011
  283   1HD   ARG  36          2HD       ARG  36   4.238  -2.607   0.163
  284   2HD   ARG  36          1HD       ARG  36   4.533  -1.448   1.459
  285    HE   ARG  36           HE       ARG  36   3.694   0.284  -0.319
  286   1HH1  ARG  36          1HH2      ARG  36   3.050  -2.773  -1.420
  287   2HH1  ARG  36          2HH2      ARG  36   1.328  -2.609  -1.461
  288   1HH2  ARG  36          2HH1      ARG  36   1.304   0.419   0.226
  289   2HH2  ARG  36          1HH1      ARG  36   0.338  -0.803  -0.532
  290    H    GLU  37           H        GLU  37   9.759  -3.587  -0.605
  291    HA   GLU  37           HA       GLU  37  10.445  -2.090   1.723
  292   1HB   GLU  37          2HB       GLU  37  12.573  -3.380   1.663
  293   2HB   GLU  37          1HB       GLU  37  11.161  -4.410   1.434
  294   1HG   GLU  37          2HG       GLU  37  11.589  -4.719  -0.842
  295   2HG   GLU  37          1HG       GLU  37  12.552  -3.249  -0.965
  296    H    ARG  38           H        ARG  38  11.288  -1.624  -1.644
  297    HA   ARG  38           HA       ARG  38  13.326   0.403  -0.865
  298   1HB   ARG  38          2HB       ARG  38  12.753  -1.050  -3.449
  299   2HB   ARG  38          1HB       ARG  38  13.764   0.392  -3.408
  300   1HG   ARG  38          2HG       ARG  38  14.617  -1.350  -1.292
  301   2HG   ARG  38          1HG       ARG  38  14.503  -2.299  -2.771
  302   1HD   ARG  38          2HD       ARG  38  16.536  -1.463  -3.297
  303   2HD   ARG  38          1HD       ARG  38  15.710   0.061  -3.619
  304    HE   ARG  38           HE       ARG  38  16.193   0.026  -0.855
  305   1HH1  ARG  38          2HH1      ARG  38  18.695  -1.424  -1.614
  306   2HH1  ARG  38          1HH1      ARG  38  19.798  -0.122  -1.917
  307   1HH2  ARG  38          1HH2      ARG  38  17.302   2.274  -2.183
  308   2HH2  ARG  38          2HH2      ARG  38  19.007   1.975  -2.240
  309    H    PHE  39           H        PHE  39  10.284  -0.017  -2.625
  310    HA   PHE  39           HA       PHE  39  10.037   2.547  -3.796
  311   1HB   PHE  39          2HB       PHE  39   8.394   0.993  -4.442
  312   2HB   PHE  39          1HB       PHE  39   8.074   0.495  -2.789
  313    HD1  PHE  39           HD2      PHE  39   6.780   2.014  -1.260
  314    HD2  PHE  39           HD1      PHE  39   7.160   2.802  -5.463
  315    HE1  PHE  39           HE2      PHE  39   4.852   3.568  -1.142
  316    HE2  PHE  39           HE1      PHE  39   5.236   4.357  -5.348
  317    HZ   PHE  39           HZ       PHE  39   4.081   4.740  -3.186
  318    H    VAL  40           H        VAL  40   9.063   1.478  -0.531
  319    HA   VAL  40           HA       VAL  40   7.981   3.948   0.351
  320    HB   VAL  40           HB       VAL  40   9.443   1.856   1.996
  321   1HG1  VAL  40          3HG1      VAL  40   8.248   4.384   2.700
  322   2HG1  VAL  40          2HG1      VAL  40   7.303   3.080   3.420
  323   3HG1  VAL  40          1HG1      VAL  40   9.030   3.205   3.751
  324   1HG2  VAL  40          1HG2      VAL  40   7.369   1.259   0.465
  325   2HG2  VAL  40          3HG2      VAL  40   7.451   0.653   2.118
  326   3HG2  VAL  40          2HG2      VAL  40   6.459   2.061   1.742
  327    H    GLN  41           H        GLN  41  11.264   2.657   0.951
  328    HA   GLN  41           HA       GLN  41  12.252   5.065   2.142
  329   1HB   GLN  41          2HB       GLN  41  13.187   2.552   1.999
  330   2HB   GLN  41          1HB       GLN  41  14.167   3.289   0.730
  331   1HG   GLN  41          2HG       GLN  41  15.480   3.698   2.610
  332   2HG   GLN  41          1HG       GLN  41  14.538   5.186   2.518
  333   1HE2  GLN  41          2HE2      GLN  41  13.379   4.675   5.795
  334   2HE2  GLN  41          1HE2      GLN  41  13.986   5.749   4.631
  335    H    GLU  42           H        GLU  42  11.542   4.479  -1.159
  336    HA   GLU  42           HA       GLU  42  13.244   6.827  -1.867
  337   1HB   GLU  42          2HB       GLU  42  12.934   4.288  -3.491
  338   2HB   GLU  42          1HB       GLU  42  13.738   5.751  -4.058
  339   1HG   GLU  42          2HG       GLU  42  14.921   5.269  -1.574
  340   2HG   GLU  42          1HG       GLU  42  14.738   3.660  -2.272
  341    H    VAL  43           H        VAL  43  10.197   6.233  -1.439
  342    HA   VAL  43           HA       VAL  43   9.355   7.898  -3.720
  343    HB   VAL  43           HB       VAL  43   7.968   5.245  -3.255
  344   1HG1  VAL  43          1HG1      VAL  43   7.542   7.624  -5.001
  345   2HG1  VAL  43          3HG1      VAL  43   7.206   6.037  -5.694
  346   3HG1  VAL  43          2HG1      VAL  43   6.358   6.562  -4.239
  347   1HG2  VAL  43          3HG2      VAL  43   9.933   6.085  -5.411
  348   2HG2  VAL  43          2HG2      VAL  43  10.166   4.801  -4.224
  349   3HG2  VAL  43          1HG2      VAL  43   8.943   4.629  -5.481
  350    H    LEU  44           H        LEU  44   8.388   6.190  -0.737
  351    HA   LEU  44           HA       LEU  44   5.854   7.425  -0.432
  352   1HB   LEU  44          2HB       LEU  44   6.809   5.493   0.916
  353   2HB   LEU  44          1HB       LEU  44   7.680   6.695   1.864
  354    HG   LEU  44           HG       LEU  44   5.520   7.814   2.382
  355   1HD1  LEU  44          1HD1      LEU  44   4.495   5.555   0.673
  356   2HD1  LEU  44          3HD1      LEU  44   3.474   6.250   1.933
  357   3HD1  LEU  44          2HD1      LEU  44   4.067   7.265   0.619
  358   1HD2  LEU  44          1HD2      LEU  44   6.576   5.928   3.776
  359   2HD2  LEU  44          3HD2      LEU  44   4.868   6.254   4.059
  360   3HD2  LEU  44          2HD2      LEU  44   5.350   4.875   3.070
  361    HA   PRO  45           HA       PRO  45   7.892  10.877   2.093
  362   1HB   PRO  45          2HB       PRO  45  10.576  11.348   1.811
  363   2HB   PRO  45          1HB       PRO  45   9.885  10.352   3.105
  364   1HG   PRO  45          2HG       PRO  45  11.356   9.500   0.663
  365   2HG   PRO  45          1HG       PRO  45  11.207   8.686   2.230
  366   1HD   PRO  45          2HD       PRO  45   9.782   8.023  -0.115
  367   2HD   PRO  45          1HD       PRO  45   9.420   7.464   1.526
  368    H    LYS  46           H        LYS  46   8.542  10.066  -1.164
  369    HA   LYS  46           HA       LYS  46   9.330  12.754  -2.019
  370   1HB   LYS  46          2HB       LYS  46   9.607  10.233  -3.110
  371   2HB   LYS  46          1HB       LYS  46   8.309  10.916  -4.081
  372   1HG   LYS  46          2HG       LYS  46   9.853  12.053  -5.262
  373   2HG   LYS  46          1HG       LYS  46  10.217  12.985  -3.812
  374   1HD   LYS  46          2HD       LYS  46  11.800  11.143  -3.126
  375   2HD   LYS  46          1HD       LYS  46  11.539  10.411  -4.709
  376   1HE   LYS  46          2HE       LYS  46  12.098  12.991  -5.420
  377   2HE   LYS  46          1HE       LYS  46  13.100  12.812  -3.979
  378   1HZ   LYS  46          1HZ       LYS  46  13.074  10.795  -6.142
  379   2HZ   LYS  46          3HZ       LYS  46  14.121  12.129  -6.170
  380   3HZ   LYS  46          2HZ       LYS  46  14.223  10.998  -4.905
  381    H    TYR  47           H        TYR  47   6.470  11.851  -0.798
  382    HA   TYR  47           HA       TYR  47   5.007  13.756  -2.499
  383   1HB   TYR  47          2HB       TYR  47   4.209  10.856  -2.167
  384   2HB   TYR  47          1HB       TYR  47   3.089  12.107  -2.705
  385    HD1  TYR  47           HD1      TYR  47   3.359  13.203  -4.871
  386    HD2  TYR  47           HD2      TYR  47   6.084  10.137  -3.584
  387    HE1  TYR  47           HE1      TYR  47   4.217  12.992  -7.187
  388    HE2  TYR  47           HE2      TYR  47   6.935   9.924  -5.906
  389    HH   TYR  47           HH       TYR  47   6.879  11.898  -8.069
  390    H    PHE  48           H        PHE  48   4.780  11.480   0.262
  391    HA   PHE  48           HA       PHE  48   2.854  13.362   1.546
  392   1HB   PHE  48          2HB       PHE  48   3.537  10.461   2.015
  393   2HB   PHE  48          1HB       PHE  48   2.659  11.401   3.217
  394    HD1  PHE  48           HD1      PHE  48   0.886  13.108   1.650
  395    HD2  PHE  48           HD2      PHE  48   2.026   9.018   0.985
  396    HE1  PHE  48           HE1      PHE  48  -1.226  12.719   0.407
  397    HE2  PHE  48           HE2      PHE  48  -0.084   8.633  -0.257
  398    HZ   PHE  48           HZ       PHE  48  -1.710  10.483  -0.545
  399    H    LYS  49           H        LYS  49   5.991  11.787   2.055
  400    HA   LYS  49           HA       LYS  49   7.728  12.300   3.550
  401   1HB   LYS  49          2HB       LYS  49   6.188  14.839   4.178
  402   2HB   LYS  49          1HB       LYS  49   7.910  14.547   4.407
  403   1HG   LYS  49          2HG       LYS  49   8.383  14.708   2.136
  404   2HG   LYS  49          1HG       LYS  49   6.746  14.274   1.655
  405   1HD   LYS  49          2HD       LYS  49   6.218  16.453   1.484
  406   2HD   LYS  49          1HD       LYS  49   6.559  16.669   3.199
  407   1HE   LYS  49          2HE       LYS  49   8.850  16.577   1.264
  408   2HE   LYS  49          1HE       LYS  49   7.899  18.057   1.395
  409   1HZ   LYS  49          3HZ       LYS  49   9.106  16.655   3.715
  410   2HZ   LYS  49          2HZ       LYS  49   9.840  17.957   2.909
  411   3HZ   LYS  49          1HZ       LYS  49   8.361  18.179   3.713
  412    H    HIS  50           H        HIS  50   7.678  10.963   5.291
  413    HA   HIS  50           HA       HIS  50   7.096  10.071   7.376
  414   1HB   HIS  50          2HB       HIS  50   6.314  12.968   7.668
  415   2HB   HIS  50          1HB       HIS  50   6.006  11.819   8.968
  416    HD1  HIS  50           HD1      HIS  50   8.890  13.126   6.863
  417    HD2  HIS  50           HD2      HIS  50   8.241  11.226  10.518
  418    HE1  HIS  50           HE1      HIS  50  11.131  13.052   8.040
  419    H    SER  51           H        SER  51   5.444   9.004   5.720
  420    HA   SER  51           HA       SER  51   2.693   9.502   6.791
  421   1HB   SER  51          2HB       SER  51   2.170   8.302   4.429
  422   2HB   SER  51          1HB       SER  51   2.290  10.048   4.616
  423    HG   SER  51           HG       SER  51   4.470   8.340   3.988
  424    H    ASN  52           H        ASN  52   5.210   7.184   6.386
  425    HA   ASN  52           HA       ASN  52   5.357   4.941   6.994
  426   1HB   ASN  52          2HB       ASN  52   2.885   5.821   8.443
  427   2HB   ASN  52          1HB       ASN  52   3.250   4.102   8.361
  428   1HD2  ASN  52          2HD2      ASN  52   6.455   4.624  10.111
  429   2HD2  ASN  52          1HD2      ASN  52   5.915   3.859   8.696
  430    H    PHE  53           H        PHE  53   5.155   3.290   5.627
  431    HA   PHE  53           HA       PHE  53   3.457   3.239   3.387
  432   1HB   PHE  53          2HB       PHE  53   4.053   0.842   3.204
  433   2HB   PHE  53          1HB       PHE  53   5.464   1.839   3.547
  434    HD1  PHE  53           HD2      PHE  53   3.072  -0.606   4.913
  435    HD2  PHE  53           HD1      PHE  53   6.586   1.726   5.717
  436    HE1  PHE  53           HE2      PHE  53   3.502  -1.960   6.946
  437    HE2  PHE  53           HE1      PHE  53   7.018   0.372   7.751
  438    HZ   PHE  53           HZ       PHE  53   5.476  -1.471   8.365
  439    H    ALA  54           H        ALA  54   2.912   1.993   6.629
  440    HA   ALA  54           HA       ALA  54   0.637   0.368   6.137
  441   1HB   ALA  54          1HB       ALA  54   2.009   0.819   8.343
  442   2HB   ALA  54          3HB       ALA  54   0.787   2.063   8.609
  443   3HB   ALA  54          2HB       ALA  54   0.305   0.375   8.442
  444    H    SER  55           H        SER  55   0.822   3.863   6.896
  445    HA   SER  55           HA       SER  55  -1.987   4.356   6.875
  446   1HB   SER  55          2HB       SER  55  -1.432   6.603   6.985
  447   2HB   SER  55          1HB       SER  55   0.098   5.898   7.493
  448    HG   SER  55           HG       SER  55  -0.555   7.284   5.214
  449    H    PHE  56           H        PHE  56   0.426   4.401   4.270
  450    HA   PHE  56           HA       PHE  56  -1.239   5.356   2.173
  451   1HB   PHE  56          2HB       PHE  56   1.201   5.082   1.956
  452   2HB   PHE  56          1HB       PHE  56   1.022   3.333   2.051
  453    HD1  PHE  56           HD2      PHE  56  -0.959   5.923   0.186
  454    HD2  PHE  56           HD1      PHE  56   1.555   2.447  -0.037
  455    HE1  PHE  56           HE2      PHE  56  -1.316   5.824  -2.266
  456    HE2  PHE  56           HE1      PHE  56   1.199   2.347  -2.490
  457    HZ   PHE  56           HZ       PHE  56  -0.235   4.036  -3.604
  458    H    VAL  57           H        VAL  57  -0.741   2.046   3.362
  459    HA   VAL  57           HA       VAL  57  -2.396   0.747   1.420
  460    HB   VAL  57           HB       VAL  57  -1.806  -0.135   4.264
  461   1HG1  VAL  57          3HG1      VAL  57  -3.631  -1.284   2.809
  462   2HG1  VAL  57          2HG1      VAL  57  -2.276  -1.888   1.856
  463   3HG1  VAL  57          1HG1      VAL  57  -2.408  -2.305   3.564
  464   1HG2  VAL  57          2HG2      VAL  57   0.150   0.464   2.572
  465   2HG2  VAL  57          1HG2      VAL  57   0.230  -1.006   3.541
  466   3HG2  VAL  57          3HG2      VAL  57  -0.287  -1.086   1.857
  467    H    ARG  58           H        ARG  58  -3.072   2.438   4.421
  468    HA   ARG  58           HA       ARG  58  -5.759   1.432   4.757
  469   1HB   ARG  58          2HB       ARG  58  -4.043   2.952   6.287
  470   2HB   ARG  58          1HB       ARG  58  -5.230   4.151   5.773
  471   1HG   ARG  58          2HG       ARG  58  -6.329   3.341   7.630
  472   2HG   ARG  58          1HG       ARG  58  -6.924   2.182   6.439
  473   1HD   ARG  58          2HD       ARG  58  -6.160   0.842   8.241
  474   2HD   ARG  58          1HD       ARG  58  -4.862   0.766   7.047
  475    HE   ARG  58           HE       ARG  58  -4.034   2.851   8.571
  476   1HH1  ARG  58          2HH1      ARG  58  -5.673   2.037  10.874
  477   2HH1  ARG  58          1HH1      ARG  58  -4.655   0.905  11.701
  478   1HH2  ARG  58          1HH2      ARG  58  -2.556   0.405   8.987
  479   2HH2  ARG  58          2HH2      ARG  58  -2.889  -0.015  10.634
  480    H    GLN  59           H        GLN  59  -4.336   4.145   2.989
  481    HA   GLN  59           HA       GLN  59  -6.812   5.491   2.392
  482   1HB   GLN  59          2HB       GLN  59  -4.162   5.459   0.911
  483   2HB   GLN  59          1HB       GLN  59  -5.507   6.520   0.508
  484   1HG   GLN  59          2HG       GLN  59  -4.053   6.450   3.168
  485   2HG   GLN  59          1HG       GLN  59  -3.870   7.687   1.925
  486   1HE2  GLN  59          2HE2      GLN  59  -7.393   8.767   2.477
  487   2HE2  GLN  59          1HE2      GLN  59  -6.492   8.202   1.154
  488    H    LEU  60           H        LEU  60  -4.871   3.101   0.580
  489    HA   LEU  60           HA       LEU  60  -6.599   2.982  -1.704
  490   1HB   LEU  60          2HB       LEU  60  -4.817   0.801  -0.579
  491   2HB   LEU  60          1HB       LEU  60  -5.457   0.875  -2.220
  492    HG   LEU  60           HG       LEU  60  -3.753   3.083  -1.051
  493   1HD1  LEU  60          3HD1      LEU  60  -2.607   0.791  -1.115
  494   2HD1  LEU  60          2HD1      LEU  60  -2.768   0.877  -2.869
  495   3HD1  LEU  60          1HD1      LEU  60  -1.814   2.087  -2.010
  496   1HD2  LEU  60          3HD2      LEU  60  -5.322   3.132  -3.234
  497   2HD2  LEU  60          2HD2      LEU  60  -3.775   3.976  -3.173
  498   3HD2  LEU  60          1HD2      LEU  60  -3.886   2.397  -3.948
  499    H    ASN  61           H        ASN  61  -6.565   1.111   1.317
  500    HA   ASN  61           HA       ASN  61  -8.695  -0.676   0.517
  501   1HB   ASN  61          2HB       ASN  61  -7.283  -0.034   3.079
  502   2HB   ASN  61          1HB       ASN  61  -8.796  -0.939   3.145
  503   1HD2  ASN  61          2HD2      ASN  61  -7.327  -3.933   2.004
  504   2HD2  ASN  61          1HD2      ASN  61  -8.705  -3.157   2.621
  505    H    MET  62           H        MET  62  -8.628   2.550   1.845
  506    HA   MET  62           HA       MET  62 -11.380   2.423   2.847
  507   1HB   MET  62          2HB       MET  62  -9.140   4.292   2.969
  508   2HB   MET  62          1HB       MET  62 -10.659   5.122   2.640
  509   1HG   MET  62          2HG       MET  62 -11.688   4.174   4.604
  510   2HG   MET  62          1HG       MET  62 -10.314   3.102   4.872
  511   1HE   MET  62          1HE       MET  62 -11.369   6.461   4.048
  512   2HE   MET  62          3HE       MET  62 -10.819   7.527   5.348
  513   3HE   MET  62          2HE       MET  62  -9.776   7.210   3.964
  514    H    TYR  63           H        TYR  63 -10.316   2.380  -0.254
  515    HA   TYR  63           HA       TYR  63 -12.565   4.125  -1.166
  516   1HB   TYR  63          2HB       TYR  63  -9.841   3.654  -2.381
  517   2HB   TYR  63          1HB       TYR  63 -11.187   4.292  -3.329
  518    HD1  TYR  63           HD2      TYR  63 -12.588   6.168  -1.872
  519    HD2  TYR  63           HD1      TYR  63  -8.397   5.284  -1.545
  520    HE1  TYR  63           HE2      TYR  63 -12.184   8.433  -0.950
  521    HE2  TYR  63           HE1      TYR  63  -7.992   7.552  -0.623
  522    HH   TYR  63           HH       TYR  63 -10.185  10.041  -0.841
  523    H    GLY  64           H        GLY  64 -10.717   1.144  -1.795
  524   1HA   GLY  64          2HA       GLY  64 -12.778  -0.593  -2.258
  525   2HA   GLY  64          1HA       GLY  64 -12.656   0.243  -3.802
  526    H    TRP  65           H        TRP  65  -9.646   0.525  -3.346
  527    HA   TRP  65           HA       TRP  65  -8.801  -1.752  -4.838
  528   1HB   TRP  65          2HB       TRP  65  -7.201   0.120  -3.057
  529   2HB   TRP  65          1HB       TRP  65  -6.489  -1.050  -4.166
  530    HD1  TRP  65           HD1      TRP  65  -8.445   2.218  -4.091
  531    HE1  TRP  65           HE1      TRP  65  -8.338   3.304  -6.427
  532    HE3  TRP  65           HE3      TRP  65  -6.201  -1.547  -6.716
  533    HZ2  TRP  65           HZ2      TRP  65  -7.423   2.661  -9.060
  534    HZ3  TRP  65           HZ3      TRP  65  -5.726  -1.284  -9.134
  535    HH2  TRP  65           HH2      TRP  65  -6.334   0.812 -10.309
  536    H    HIS  66           H        HIS  66  -9.219  -3.766  -3.943
  537    HA   HIS  66           HA       HIS  66  -8.302  -4.259  -1.141
  538   1HB   HIS  66          2HB       HIS  66 -10.202  -5.818  -2.922
  539   2HB   HIS  66          1HB       HIS  66  -9.703  -6.332  -1.311
  540    HD1  HIS  66           HD1      HIS  66  -9.937  -3.934   0.398
  541    HD2  HIS  66           HD2      HIS  66 -12.689  -4.666  -2.648
  542    HE1  HIS  66           HE1      HIS  66 -12.025  -2.628   0.990
  543    H    LYS  67           H        LYS  67  -7.795  -6.915  -1.130
  544    HA   LYS  67           HA       LYS  67  -5.490  -7.143  -3.003
  545   1HB   LYS  67          2HB       LYS  67  -6.148  -8.722  -0.493
  546   2HB   LYS  67          1HB       LYS  67  -4.689  -8.910  -1.465
  547   1HG   LYS  67          2HG       LYS  67  -5.302  -6.141  -0.590
  548   2HG   LYS  67          1HG       LYS  67  -4.839  -7.262   0.689
  549   1HD   LYS  67          2HD       LYS  67  -3.177  -7.403  -1.760
  550   2HD   LYS  67          1HD       LYS  67  -3.048  -5.895  -0.853
  551   1HE   LYS  67          2HE       LYS  67  -2.259  -6.970   1.076
  552   2HE   LYS  67          1HE       LYS  67  -2.906  -8.535   0.583
  553   1HZ   LYS  67          3HZ       LYS  67  -0.737  -7.143  -0.881
  554   2HZ   LYS  67          2HZ       LYS  67  -0.446  -8.273   0.354
  555   3HZ   LYS  67          1HZ       LYS  67  -1.247  -8.750  -1.066
  556    H    VAL  68           H        VAL  68  -7.928  -7.516  -4.195
  557    HA   VAL  68           HA       VAL  68  -8.418 -10.441  -4.300
  558    HB   VAL  68           HB       VAL  68  -9.902  -8.171  -5.654
  559   1HG1  VAL  68          1HG1      VAL  68 -10.024 -11.047  -5.919
  560   2HG1  VAL  68          3HG1      VAL  68 -11.539 -10.452  -5.237
  561   3HG1  VAL  68          2HG1      VAL  68 -10.954  -9.817  -6.773
  562   1HG2  VAL  68          3HG2      VAL  68  -9.816  -8.405  -3.018
  563   2HG2  VAL  68          2HG2      VAL  68 -11.346  -8.084  -3.832
  564   3HG2  VAL  68          1HG2      VAL  68 -10.952  -9.722  -3.311
  565    H    GLN  69           H        GLN  69  -6.895 -11.380  -5.603
  566    HA   GLN  69           HA       GLN  69  -6.526 -10.210  -8.334
  567   1HB   GLN  69          2HB       GLN  69  -4.549 -10.597  -6.466
  568   2HB   GLN  69          1HB       GLN  69  -4.473 -12.109  -7.370
  569   1HG   GLN  69          2HG       GLN  69  -4.563  -9.435  -8.769
  570   2HG   GLN  69          1HG       GLN  69  -3.040 -10.152  -8.241
  571   1HE2  GLN  69          2HE2      GLN  69  -4.834 -11.544 -11.582
  572   2HE2  GLN  69          1HE2      GLN  69  -5.440 -10.206 -10.730
  573    H    ASP  70           H        ASP  70  -8.589 -12.099  -7.386
  574    HA   ASP  70           HA       ASP  70  -8.420 -14.033  -9.517
  575   1HB   ASP  70          2HB       ASP  70  -7.414 -14.787  -6.853
  576   2HB   ASP  70          1HB       ASP  70  -8.643 -15.886  -7.478
  577    H    VAL  71           H        VAL  71 -10.321 -15.677  -9.216
  578    HA   VAL  71           HA       VAL  71 -12.609 -14.162  -8.041
  579    HB   VAL  71           HB       VAL  71 -12.669 -16.351 -10.140
  580   1HG1  VAL  71          2HG1      VAL  71 -14.734 -15.934  -8.710
  581   2HG1  VAL  71          1HG1      VAL  71 -14.788 -14.315  -9.406
  582   3HG1  VAL  71          3HG1      VAL  71 -14.968 -15.729 -10.446
  583   1HG2  VAL  71          3HG2      VAL  71 -11.582 -13.925 -10.575
  584   2HG2  VAL  71          2HG2      VAL  71 -12.551 -14.752 -11.794
  585   3HG2  VAL  71          1HG2      VAL  71 -13.281 -13.504 -10.784
  586    H    LYS  72           H        LYS  72 -10.915 -17.233  -8.029
  587    HA   LYS  72           HA       LYS  72 -12.777 -18.167  -5.881
  588   1HB   LYS  72          2HB       LYS  72 -12.546 -19.391  -8.284
  589   2HB   LYS  72          1HB       LYS  72 -11.236 -20.192  -7.418
  590   1HG   LYS  72          2HG       LYS  72 -12.906 -20.604  -5.532
  591   2HG   LYS  72          1HG       LYS  72 -14.162 -20.089  -6.657
  592   1HD   LYS  72          2HD       LYS  72 -14.188 -22.351  -7.100
  593   2HD   LYS  72          1HD       LYS  72 -12.940 -21.858  -8.244
  594   1HE   LYS  72          2HE       LYS  72 -11.296 -22.917  -7.087
  595   2HE   LYS  72          1HE       LYS  72 -11.932 -22.398  -5.526
  596   1HZ   LYS  72          1HZ       LYS  72 -13.728 -24.080  -5.852
  597   2HZ   LYS  72          3HZ       LYS  72 -12.865 -24.665  -7.191
  598   3HZ   LYS  72          2HZ       LYS  72 -12.173 -24.732  -5.641
  599    H    SER  73           H        SER  73 -10.478 -16.592  -5.376
  600    HA   SER  73           HA       SER  73  -8.302 -18.407  -4.575
  601   1HB   SER  73          2HB       SER  73  -7.904 -16.061  -5.414
  602   2HB   SER  73          1HB       SER  73  -8.653 -15.462  -3.937
  603    HG   SER  73           HG       SER  73  -6.700 -15.654  -3.173
  604    H    GLY  74           H        GLY  74 -10.567 -16.194  -2.906
  605   1HA   GLY  74          2HA       GLY  74 -11.592 -16.418  -0.800
  606   2HA   GLY  74          1HA       GLY  74 -11.004 -18.079  -0.749
  607    H    SER  75           H        SER  75  -9.780 -14.729  -0.486
  608    HA   SER  75           HA       SER  75  -8.150 -13.814   0.924
  609   1HB   SER  75          2HB       SER  75  -9.716 -15.333   2.537
  610   2HB   SER  75          1HB       SER  75  -8.167 -16.139   2.770
  611    HG   SER  75           HG       SER  75  -9.011 -13.850   3.809
  612    H    MET  76           H        MET  76  -6.192 -13.878  -0.077
  613    HA   MET  76           HA       MET  76  -4.788 -16.443  -0.465
  614   1HB   MET  76          2HB       MET  76  -4.916 -14.347  -2.094
  615   2HB   MET  76          1HB       MET  76  -3.554 -13.793  -1.121
  616   1HG   MET  76          2HG       MET  76  -2.797 -16.359  -1.558
  617   2HG   MET  76          1HG       MET  76  -3.721 -16.063  -3.030
  618   1HE   MET  76          1HE       MET  76  -1.844 -16.741  -4.088
  619   2HE   MET  76          3HE       MET  76  -1.866 -15.362  -5.196
  620   3HE   MET  76          2HE       MET  76  -0.361 -15.851  -4.421
  621    H    LEU  77           H        LEU  77  -4.666 -16.669   1.956
  622    HA   LEU  77           HA       LEU  77  -2.745 -14.895   3.317
  623   1HB   LEU  77          2HB       LEU  77  -4.871 -15.914   4.372
  624   2HB   LEU  77          1HB       LEU  77  -3.951 -17.415   4.459
  625    HG   LEU  77           HG       LEU  77  -2.176 -15.504   5.458
  626   1HD1  LEU  77          2HD1      LEU  77  -5.001 -14.952   6.404
  627   2HD1  LEU  77          1HD1      LEU  77  -3.563 -14.437   7.285
  628   3HD1  LEU  77          3HD1      LEU  77  -3.878 -13.808   5.667
  629   1HD2  LEU  77          3HD2      LEU  77  -3.900 -17.671   6.567
  630   2HD2  LEU  77          2HD2      LEU  77  -2.147 -17.489   6.622
  631   3HD2  LEU  77          1HD2      LEU  77  -3.164 -16.565   7.728
  632    H    SER  78           H        SER  78  -1.300 -15.940   1.355
  633    HA   SER  78           HA       SER  78   0.135 -18.297   2.502
  634   1HB   SER  78          2HB       SER  78  -0.856 -18.264   0.063
  635   2HB   SER  78          1HB       SER  78   0.561 -17.284  -0.299
  636    HG   SER  78           HG       SER  78   1.786 -18.990  -0.066
  637    H    ASN  79           H        ASN  79   0.511 -15.050   1.150
  638    HA   ASN  79           HA       ASN  79   3.259 -14.960   2.337
  639   1HB   ASN  79          2HB       ASN  79   2.346 -13.306  -0.031
  640   2HB   ASN  79          1HB       ASN  79   3.992 -13.541   0.553
  641   1HD2  ASN  79          2HD2      ASN  79   3.688 -17.144  -0.594
  642   2HD2  ASN  79          1HD2      ASN  79   3.788 -16.436   0.945
  643    H    ASN  80           H        ASN  80   3.742 -13.079   3.536
  644    HA   ASN  80           HA       ASN  80   1.650 -10.974   3.696
  645   1HB   ASN  80          2HB       ASN  80   2.193 -12.986   5.733
  646   2HB   ASN  80          1HB       ASN  80   2.468 -11.364   6.364
  647   1HD2  ASN  80          2HD2      ASN  80  -0.974 -10.687   6.623
  648   2HD2  ASN  80          1HD2      ASN  80   0.612 -10.297   7.086
  649    H    ASP  81           H        ASP  81   4.170 -10.810   2.446
  650    HA   ASP  81           HA       ASP  81   5.249  -8.444   3.610
  651   1HB   ASP  81          2HB       ASP  81   6.147 -10.802   4.900
  652   2HB   ASP  81          1HB       ASP  81   7.488 -10.273   3.887
  653    H    SER  82           H        SER  82   6.138  -7.406   1.868
  654    HA   SER  82           HA       SER  82   7.226  -7.047  -0.155
  655   1HB   SER  82          2HB       SER  82   8.659  -9.159   1.024
  656   2HB   SER  82          1HB       SER  82   8.325  -9.700  -0.619
  657    HG   SER  82           HG       SER  82   9.538  -8.131  -1.386
  658    H    ARG  83           H        ARG  83   6.230  -7.013  -2.034
  659    HA   ARG  83           HA       ARG  83   5.088  -7.709  -3.963
  660   1HB   ARG  83          2HB       ARG  83   6.127 -10.074  -3.305
  661   2HB   ARG  83          1HB       ARG  83   4.450 -10.415  -2.876
  662   1HG   ARG  83          2HG       ARG  83   4.218 -10.913  -5.078
  663   2HG   ARG  83          1HG       ARG  83   4.132  -9.165  -5.287
  664   1HD   ARG  83          2HD       ARG  83   5.787 -10.189  -6.824
  665   2HD   ARG  83          1HD       ARG  83   6.549  -9.071  -5.693
  666    HE   ARG  83           HE       ARG  83   6.553 -11.820  -4.729
  667   1HH1  ARG  83          2HH1      ARG  83   7.816 -11.413  -7.587
  668   2HH1  ARG  83          1HH1      ARG  83   9.488 -11.315  -7.143
  669   1HH2  ARG  83          1HH2      ARG  83   8.839 -10.853  -3.769
  670   2HH2  ARG  83          2HH2      ARG  83  10.066 -10.996  -4.983
  671    H    TRP  84           H        TRP  84   3.357  -6.377  -3.649
  672    HA   TRP  84           HA       TRP  84   1.063  -7.500  -2.088
  673   1HB   TRP  84          2HB       TRP  84   1.808  -4.585  -2.515
  674   2HB   TRP  84          1HB       TRP  84   0.379  -5.156  -1.655
  675    HD1  TRP  84           HD1      TRP  84   4.174  -5.959  -1.452
  676    HE1  TRP  84           HE1      TRP  84   4.847  -6.002   1.034
  677    HE3  TRP  84           HE3      TRP  84  -0.336  -4.906   0.700
  678    HZ2  TRP  84           HZ2      TRP  84   3.634  -5.637   3.598
  679    HZ3  TRP  84           HZ3      TRP  84  -0.548  -4.760   3.165
  680    HH2  TRP  84           HH2      TRP  84   1.431  -5.124   4.615
  681    H    GLU  85           H        GLU  85  -1.093  -6.730  -2.962
  682    HA   GLU  85           HA       GLU  85  -1.005  -6.013  -5.852
  683   1HB   GLU  85          2HB       GLU  85  -2.477  -8.382  -4.655
  684   2HB   GLU  85          1HB       GLU  85  -2.770  -7.762  -6.281
  685   1HG   GLU  85          2HG       GLU  85  -0.509  -8.251  -6.959
  686   2HG   GLU  85          1HG       GLU  85  -0.039  -8.635  -5.302
  687    H    PHE  86           H        PHE  86  -2.871  -4.879  -6.560
  688    HA   PHE  86           HA       PHE  86  -4.978  -4.320  -4.522
  689   1HB   PHE  86          2HB       PHE  86  -3.332  -2.287  -6.046
  690   2HB   PHE  86          1HB       PHE  86  -4.862  -1.885  -5.268
  691    HD1  PHE  86           HD2      PHE  86  -1.499  -3.371  -4.593
  692    HD2  PHE  86           HD1      PHE  86  -4.940  -1.387  -2.971
  693    HE1  PHE  86           HE2      PHE  86  -0.334  -3.128  -2.418
  694    HE2  PHE  86           HE1      PHE  86  -3.779  -1.144  -0.793
  695    HZ   PHE  86           HZ       PHE  86  -1.474  -2.016  -0.516
  696    H    GLU  87           H        GLU  87  -7.026  -4.172  -5.426
  697    HA   GLU  87           HA       GLU  87  -7.286  -3.822  -8.360
  698   1HB   GLU  87          2HB       GLU  87  -8.011  -6.270  -6.789
  699   2HB   GLU  87          1HB       GLU  87  -9.045  -5.792  -8.137
  700   1HG   GLU  87          2HG       GLU  87  -7.506  -7.143  -9.233
  701   2HG   GLU  87          1HG       GLU  87  -6.748  -5.562  -9.413
  702    H    ASN  88           H        ASN  88  -8.701  -2.154  -8.514
  703    HA   ASN  88           HA       ASN  88 -11.057  -2.136  -6.667
  704   1HB   ASN  88          2HB       ASN  88  -9.494  -0.214  -6.332
  705   2HB   ASN  88          1HB       ASN  88  -9.757   0.254  -8.012
  706   1HD2  ASN  88          2HD2      ASN  88 -12.536   2.166  -6.996
  707   2HD2  ASN  88          1HD2      ASN  88 -11.091   2.090  -7.886
  708    H    GLU  89           H        GLU  89 -10.834  -3.565  -9.142
  709    HA   GLU  89           HA       GLU  89 -12.954  -2.161 -10.705
  710   1HB   GLU  89          2HB       GLU  89 -10.478  -2.196 -11.664
  711   2HB   GLU  89          1HB       GLU  89 -10.924  -3.837 -12.132
  712   1HG   GLU  89          2HG       GLU  89 -11.531  -2.483 -13.986
  713   2HG   GLU  89          1HG       GLU  89 -13.044  -2.802 -13.138
  714    H    ARG  90           H        ARG  90 -14.464  -3.587  -9.636
  715    HA   ARG  90           HA       ARG  90 -14.311  -6.409 -10.623
  716   1HB   ARG  90          2HB       ARG  90 -15.572  -7.037  -8.540
  717   2HB   ARG  90          1HB       ARG  90 -13.945  -6.433  -8.226
  718   1HG   ARG  90          2HG       ARG  90 -14.869  -4.192  -7.744
  719   2HG   ARG  90          1HG       ARG  90 -16.496  -4.803  -8.042
  720   1HD   ARG  90          2HD       ARG  90 -14.881  -6.353  -6.095
  721   2HD   ARG  90          1HD       ARG  90 -15.364  -4.739  -5.578
  722    HE   ARG  90           HE       ARG  90 -17.745  -5.572  -6.325
  723   1HH1  ARG  90          1HH2      ARG  90 -15.760  -6.637  -3.898
  724   2HH1  ARG  90          2HH2      ARG  90 -16.564  -8.147  -3.631
  725   1HH2  ARG  90          2HH1      ARG  90 -18.562  -7.885  -6.451
  726   2HH2  ARG  90          1HH1      ARG  90 -18.149  -8.853  -5.075
  727    H    HIS  91           H        HIS  91 -16.266  -7.293 -11.380
  728    HA   HIS  91           HA       HIS  91 -18.717  -5.641 -11.246
  729   1HB   HIS  91          2HB       HIS  91 -16.993  -5.792 -13.583
  730   2HB   HIS  91          1HB       HIS  91 -18.583  -6.460 -13.951
  731    HD1  HIS  91           HD1      HIS  91 -20.300  -4.628 -12.122
  732    HD2  HIS  91           HD2      HIS  91 -17.301  -3.230 -14.656
  733    HE1  HIS  91           HE1      HIS  91 -20.823  -2.192 -12.574
  734    H    ALA  92           HN       ALA  92 -17.603  -8.403 -13.235
  735    HA   ALA  92           HA       ALA  92 -19.171 -10.313 -11.689
  736   1HB   ALA  92          2HB       ALA  92 -20.291  -9.043 -14.125
  737   2HB   ALA  92          1HB       ALA  92 -20.428 -10.799 -14.051
  738   3HB   ALA  92          3HB       ALA  92 -21.123  -9.807 -12.771
   
  No H/Q in entry =         738
  Start of MODEL          19
 Raw file had  756 H/Q atoms
  Start of MODEL   19
    1   1H    ALA   1          3H        ALA   1 -16.655  11.892  -3.897
    2   2H    ALA   1          2H        ALA   1 -17.164  13.147  -4.923
    3   3H    ALA   1          1H        ALA   1 -18.302  12.078  -4.256
    4    HA   ALA   1           HA       ALA   1 -17.674  10.322  -5.613
    5   1HB   ALA   1          2HB       ALA   1 -17.421  12.918  -7.161
    6   2HB   ALA   1          1HB       ALA   1 -17.586  11.334  -7.919
    7   3HB   ALA   1          3HB       ALA   1 -18.887  11.969  -6.911
    8    H    ARG   2           H        ARG   2 -15.383  12.931  -6.501
    9    HA   ARG   2           HA       ARG   2 -13.297  10.852  -6.913
   10   1HB   ARG   2          2HB       ARG   2 -13.513  13.749  -7.766
   11   2HB   ARG   2          1HB       ARG   2 -12.053  12.782  -7.995
   12   1HG   ARG   2          2HG       ARG   2 -14.594  11.545  -8.915
   13   2HG   ARG   2          1HG       ARG   2 -14.023  12.930  -9.846
   14   1HD   ARG   2          2HD       ARG   2 -12.062  11.859 -10.496
   15   2HD   ARG   2          1HD       ARG   2 -12.077  10.770  -9.109
   16    HE   ARG   2           HE       ARG   2 -13.680   9.383 -10.258
   17   1HH1  ARG   2          1HH2      ARG   2 -14.514  12.165 -11.680
   18   2HH1  ARG   2          2HH2      ARG   2 -14.353  11.649 -13.325
   19   1HH2  ARG   2          2HH1      ARG   2 -12.692   8.713 -12.515
   20   2HH2  ARG   2          1HH1      ARG   2 -13.320   9.692 -13.798
   21    HA   PRO   3           HA       PRO   3 -11.716  12.572  -3.105
   22   1HB   PRO   3          2HB       PRO   3 -10.126  10.466  -2.368
   23   2HB   PRO   3          1HB       PRO   3 -11.870  10.530  -2.060
   24   1HG   PRO   3          2HG       PRO   3 -10.380   8.927  -4.069
   25   2HG   PRO   3          1HG       PRO   3 -11.954   8.609  -3.321
   26   1HD   PRO   3          2HD       PRO   3 -11.519   9.644  -5.923
   27   2HD   PRO   3          1HD       PRO   3 -13.067   9.592  -5.056
   28    H    ALA   4           H        ALA   4  -9.644  13.415  -2.465
   29    HA   ALA   4           HA       ALA   4  -7.859  14.018  -4.646
   30   1HB   ALA   4          2HB       ALA   4  -8.323  15.441  -2.567
   31   2HB   ALA   4          1HB       ALA   4  -7.217  14.363  -1.715
   32   3HB   ALA   4          3HB       ALA   4  -6.638  15.322  -3.076
   33    H    PHE   5           H        PHE   5  -8.051  11.282  -2.585
   34    HA   PHE   5           HA       PHE   5  -5.187  10.694  -2.566
   35   1HB   PHE   5          2HB       PHE   5  -6.923   9.901  -0.844
   36   2HB   PHE   5          1HB       PHE   5  -7.422   8.722  -2.059
   37    HD1  PHE   5           HD2      PHE   5  -4.237  10.059  -0.575
   38    HD2  PHE   5           HD1      PHE   5  -6.411   6.626  -1.968
   39    HE1  PHE   5           HE2      PHE   5  -2.341   8.597   0.069
   40    HE2  PHE   5           HE1      PHE   5  -4.514   5.163  -1.323
   41    HZ   PHE   5           HZ       PHE   5  -2.480   6.149  -0.304
   42    H    VAL   6           H        VAL   6  -8.041   9.516  -4.346
   43    HA   VAL   6           HA       VAL   6  -6.523   7.657  -5.973
   44    HB   VAL   6           HB       VAL   6  -9.248   8.903  -6.478
   45   1HG1  VAL   6          1HG1      VAL   6  -7.860   6.472  -7.643
   46   2HG1  VAL   6          3HG1      VAL   6  -9.572   6.830  -7.863
   47   3HG1  VAL   6          2HG1      VAL   6  -8.352   7.926  -8.511
   48   1HG2  VAL   6          2HG2      VAL   6  -8.623   7.403  -4.331
   49   2HG2  VAL   6          1HG2      VAL   6 -10.181   7.273  -5.148
   50   3HG2  VAL   6          3HG2      VAL   6  -8.904   6.110  -5.499
   51    H    ASN   7           H        ASN   7  -7.424  11.047  -6.231
   52    HA   ASN   7           HA       ASN   7  -6.722  11.327  -9.029
   53   1HB   ASN   7          2HB       ASN   7  -6.996  13.361  -6.799
   54   2HB   ASN   7          1HB       ASN   7  -6.743  13.780  -8.494
   55   1HD2  ASN   7          2HD2      ASN   7 -10.230  13.717  -8.972
   56   2HD2  ASN   7          1HD2      ASN   7  -8.771  14.564  -9.156
   57    H    LYS   8           H        LYS   8  -5.004  12.041  -5.979
   58    HA   LYS   8           HA       LYS   8  -2.625  13.000  -7.308
   59   1HB   LYS   8          2HB       LYS   8  -1.588  12.937  -5.095
   60   2HB   LYS   8          1HB       LYS   8  -3.209  13.612  -4.967
   61   1HG   LYS   8          2HG       LYS   8  -3.959  11.192  -4.429
   62   2HG   LYS   8          1HG       LYS   8  -2.248  10.873  -4.146
   63   1HD   LYS   8          2HD       LYS   8  -3.830  13.078  -2.785
   64   2HD   LYS   8          1HD       LYS   8  -3.459  11.515  -2.056
   65   1HE   LYS   8          2HE       LYS   8  -1.115  11.956  -2.064
   66   2HE   LYS   8          1HE       LYS   8  -1.307  13.344  -3.135
   67   1HZ   LYS   8          2HZ       LYS   8  -2.544  14.471  -1.387
   68   2HZ   LYS   8          1HZ       LYS   8  -2.335  13.139  -0.354
   69   3HZ   LYS   8          3HZ       LYS   8  -0.989  14.045  -0.850
   70    H    LEU   9           H        LEU   9  -3.800   9.830  -6.459
   71    HA   LEU   9           HA       LEU   9  -1.208   8.516  -6.592
   72   1HB   LEU   9          2HB       LEU   9  -3.129   7.584  -5.317
   73   2HB   LEU   9          1HB       LEU   9  -3.992   7.337  -6.834
   74    HG   LEU   9           HG       LEU   9  -2.182   5.838  -7.614
   75   1HD1  LEU   9          2HD1      LEU   9  -0.900   6.875  -5.165
   76   2HD1  LEU   9          1HD1      LEU   9  -0.745   5.131  -5.381
   77   3HD1  LEU   9          3HD1      LEU   9  -0.167   6.231  -6.633
   78   1HD2  LEU   9          2HD2      LEU   9  -4.199   5.209  -5.968
   79   2HD2  LEU   9          1HD2      LEU   9  -3.013   4.006  -6.476
   80   3HD2  LEU   9          3HD2      LEU   9  -2.861   4.784  -4.901
   81    H    TRP  10           H        TRP  10  -3.584   9.516  -8.944
   82    HA   TRP  10           HA       TRP  10  -2.975   7.641 -11.017
   83   1HB   TRP  10          2HB       TRP  10  -4.290  10.288 -10.802
   84   2HB   TRP  10          1HB       TRP  10  -3.658   9.876 -12.395
   85    HD1  TRP  10           HD1      TRP  10  -6.171   9.677 -13.262
   86    HE1  TRP  10           HE1      TRP  10  -7.871   7.746 -13.124
   87    HE3  TRP  10           HE3      TRP  10  -4.049   6.877  -9.541
   88    HZ2  TRP  10           HZ2      TRP  10  -8.280   5.343 -11.642
   89    HZ3  TRP  10           HZ3      TRP  10  -5.121   4.778  -8.792
   90    HH2  TRP  10           HH2      TRP  10  -7.231   4.006  -9.835
   91    H    SER  11           H        SER  11  -1.099  10.223  -9.696
   92    HA   SER  11           HA       SER  11   0.584  10.378 -12.144
   93   1HB   SER  11          2HB       SER  11  -0.265  12.427 -10.703
   94   2HB   SER  11          1HB       SER  11   1.099  12.000  -9.672
   95    HG   SER  11           HG       SER  11   1.998  13.310 -11.135
   96    H    MET  12           H        MET  12   0.597   9.306  -8.797
   97    HA   MET  12           HA       MET  12   3.448   8.866  -8.595
   98   1HB   MET  12          2HB       MET  12   1.096   8.468  -6.949
   99   2HB   MET  12          1HB       MET  12   2.115   7.031  -6.889
  100   1HG   MET  12          2HG       MET  12   4.071   8.722  -6.538
  101   2HG   MET  12          1HG       MET  12   2.794   9.856  -6.099
  102   1HE   MET  12          2HE       MET  12   4.179   6.542  -5.907
  103   2HE   MET  12          1HE       MET  12   4.495   6.245  -4.199
  104   3HE   MET  12          3HE       MET  12   2.974   5.708  -4.927
  105    H    VAL  13           H        VAL  13   0.724   6.863  -9.657
  106    HA   VAL  13           HA       VAL  13   2.499   4.540 -10.074
  107    HB   VAL  13           HB       VAL  13  -0.394   4.729 -10.923
  108   1HG1  VAL  13          3HG1      VAL  13   1.433   2.775 -11.330
  109   2HG1  VAL  13          2HG1      VAL  13   0.833   2.289  -9.747
  110   3HG1  VAL  13          1HG1      VAL  13  -0.283   2.445 -11.103
  111   1HG2  VAL  13          3HG2      VAL  13   0.737   4.160  -8.164
  112   2HG2  VAL  13          2HG2      VAL  13  -0.433   5.403  -8.603
  113   3HG2  VAL  13          1HG2      VAL  13  -0.895   3.702  -8.652
  114    H    ASN  14           H        ASN  14   2.203   7.295 -11.759
  115    HA   ASN  14           HA       ASN  14   1.538   6.515 -14.417
  116   1HB   ASN  14          2HB       ASN  14   2.164   8.878 -13.284
  117   2HB   ASN  14          1HB       ASN  14   3.715   8.509 -14.041
  118   1HD2  ASN  14          2HD2      ASN  14   0.437   9.180 -16.426
  119   2HD2  ASN  14          1HD2      ASN  14   0.212   8.781 -14.792
  120    H    ASP  15           H        ASP  15   4.306   5.795 -12.463
  121    HA   ASP  15           HA       ASP  15   6.166   4.454 -12.889
  122   1HB   ASP  15          2HB       ASP  15   5.040   3.953 -15.655
  123   2HB   ASP  15          1HB       ASP  15   6.133   2.929 -14.728
  124    H    LYS  16           H        LYS  16   5.960   7.362 -13.705
  125    HA   LYS  16           HA       LYS  16   7.846   7.477 -15.984
  126   1HB   LYS  16          2HB       LYS  16   5.837   9.103 -15.541
  127   2HB   LYS  16          1HB       LYS  16   6.941   9.875 -14.401
  128   1HG   LYS  16          2HG       LYS  16   7.549  11.050 -16.279
  129   2HG   LYS  16          1HG       LYS  16   8.603   9.657 -16.504
  130   1HD   LYS  16          2HD       LYS  16   7.575   9.178 -18.445
  131   2HD   LYS  16          1HD       LYS  16   6.047   8.974 -17.592
  132   1HE   LYS  16          2HE       LYS  16   5.258  10.876 -18.501
  133   2HE   LYS  16          1HE       LYS  16   6.613  11.790 -17.844
  134   1HZ   LYS  16          2HZ       LYS  16   7.945  10.990 -19.751
  135   2HZ   LYS  16          1HZ       LYS  16   6.539  10.300 -20.408
  136   3HZ   LYS  16          3HZ       LYS  16   6.641  11.981 -20.204
  137    H    SER  17           H        SER  17   7.713   8.658 -12.601
  138    HA   SER  17           HA       SER  17  10.659   8.967 -12.612
  139   1HB   SER  17          2HB       SER  17   8.427   9.840 -10.821
  140   2HB   SER  17          1HB       SER  17  10.024   9.634 -10.108
  141    HG   SER  17           HG       SER  17   9.743  11.743 -10.919
  142    H    ASN  18           H        ASN  18   8.108   7.053 -11.078
  143    HA   ASN  18           HA       ASN  18  10.180   5.332  -9.793
  144   1HB   ASN  18          2HB       ASN  18   7.204   5.018  -9.391
  145   2HB   ASN  18          1HB       ASN  18   8.514   4.566  -8.304
  146   1HD2  ASN  18          2HD2      ASN  18   6.880   8.255  -8.038
  147   2HD2  ASN  18          1HD2      ASN  18   6.273   7.075  -9.098
  148    H    GLU  19           H        GLU  19  10.082   5.145 -12.521
  149    HA   GLU  19           HA       GLU  19   8.224   3.233 -13.563
  150   1HB   GLU  19          2HB       GLU  19   9.615   4.780 -14.945
  151   2HB   GLU  19          1HB       GLU  19  11.034   3.826 -14.533
  152   1HG   GLU  19          2HG       GLU  19   8.795   2.197 -15.528
  153   2HG   GLU  19          1HG       GLU  19   9.386   3.369 -16.706
  154    H    LYS  20           H        LYS  20  11.045   2.823 -11.569
  155    HA   LYS  20           HA       LYS  20  11.036  -0.104 -12.188
  156   1HB   LYS  20          2HB       LYS  20  13.190   1.346 -12.409
  157   2HB   LYS  20          1HB       LYS  20  13.216   1.284 -10.647
  158   1HG   LYS  20          2HG       LYS  20  14.486  -0.598 -11.218
  159   2HG   LYS  20          1HG       LYS  20  12.880  -1.290 -10.993
  160   1HD   LYS  20          2HD       LYS  20  12.479  -1.071 -13.445
  161   2HD   LYS  20          1HD       LYS  20  14.135  -0.495 -13.635
  162   1HE   LYS  20          2HE       LYS  20  14.319  -2.796 -14.087
  163   2HE   LYS  20          1HE       LYS  20  14.800  -2.682 -12.394
  164   1HZ   LYS  20          1HZ       LYS  20  11.983  -3.148 -13.134
  165   2HZ   LYS  20          3HZ       LYS  20  13.081  -4.440 -13.061
  166   3HZ   LYS  20          2HZ       LYS  20  12.779  -3.505 -11.675
  167    H    PHE  21           H        PHE  21   9.353   1.623 -10.205
  168    HA   PHE  21           HA       PHE  21   9.819  -0.182  -7.879
  169   1HB   PHE  21          2HB       PHE  21   9.180   2.775  -7.722
  170   2HB   PHE  21          1HB       PHE  21   9.352   1.683  -6.350
  171    HD1  PHE  21           HD1      PHE  21  11.596   0.381  -6.152
  172    HD2  PHE  21           HD2      PHE  21  11.062   3.884  -8.582
  173    HE1  PHE  21           HE1      PHE  21  14.050   0.746  -6.166
  174    HE2  PHE  21           HE2      PHE  21  13.515   4.248  -8.596
  175    HZ   PHE  21           HZ       PHE  21  15.009   2.680  -7.389
  176    H    ILE  22           H        ILE  22   7.565   1.026 -10.142
  177    HA   ILE  22           HA       ILE  22   5.403  -0.450  -8.921
  178    HB   ILE  22           HB       ILE  22   5.362   1.591  -7.512
  179   1HG1  ILE  22          2HG1      ILE  22   3.005   1.719  -9.390
  180   2HG1  ILE  22          1HG1      ILE  22   3.262   0.323  -8.343
  181   1HG2  ILE  22          3HG2      ILE  22   4.866   3.022 -10.142
  182   2HG2  ILE  22          2HG2      ILE  22   4.755   3.757  -8.542
  183   3HG2  ILE  22          1HG2      ILE  22   6.309   3.174  -9.140
  184   1HD1  ILE  22          1HD1      ILE  22   3.359   3.097  -7.186
  185   2HD1  ILE  22          3HD1      ILE  22   1.803   2.315  -7.466
  186   3HD1  ILE  22          2HD1      ILE  22   2.981   1.573  -6.384
  187    H    HIS  23           H        HIS  23   3.882  -0.962 -10.494
  188    HA   HIS  23           HA       HIS  23   3.690   0.669 -12.941
  189   1HB   HIS  23          2HB       HIS  23   4.092  -1.400 -14.376
  190   2HB   HIS  23          1HB       HIS  23   5.523  -0.703 -13.617
  191    HD1  HIS  23           HD1      HIS  23   6.949  -2.346 -12.416
  192    HD2  HIS  23           HD2      HIS  23   2.986  -3.626 -12.600
  193    HE1  HIS  23           HE1      HIS  23   6.886  -4.633 -11.336
  194    H    TRP  24           H        TRP  24   2.031  -0.334 -14.466
  195    HA   TRP  24           HA       TRP  24  -0.307  -1.156 -12.867
  196   1HB   TRP  24          2HB       TRP  24   0.079  -0.359 -15.762
  197   2HB   TRP  24          1HB       TRP  24  -1.461  -0.938 -15.137
  198    HD1  TRP  24           HD1      TRP  24   0.990   1.461 -13.352
  199    HE1  TRP  24           HE1      TRP  24  -0.258   3.661 -12.867
  200    HE3  TRP  24           HE3      TRP  24  -3.442   0.492 -15.694
  201    HZ2  TRP  24           HZ2      TRP  24  -2.805   4.856 -13.403
  202    HZ3  TRP  24           HZ3      TRP  24  -5.259   2.176 -15.693
  203    HH2  TRP  24           HH2      TRP  24  -4.946   4.356 -14.553
  204    H    SER  25           H        SER  25  -1.657  -2.996 -13.624
  205    HA   SER  25           HA       SER  25   0.042  -5.292 -14.398
  206   1HB   SER  25          2HB       SER  25  -1.806  -5.202 -12.512
  207   2HB   SER  25          1HB       SER  25  -2.905  -5.502 -13.856
  208    HG   SER  25           HG       SER  25  -1.377  -7.233 -12.564
  209    H    THR  26           H        THR  26  -0.110  -6.314 -16.369
  210    HA   THR  26           HA       THR  26  -1.385  -4.963 -18.572
  211    HB   THR  26           HB       THR  26  -0.396  -7.827 -18.510
  212    HG1  THR  26           HG1      THR  26   1.432  -6.904 -18.071
  213   1HG2  THR  26          3HG2      THR  26  -1.205  -5.880 -20.602
  214   2HG2  THR  26          2HG2      THR  26   0.233  -6.841 -20.943
  215   3HG2  THR  26          1HG2      THR  26  -1.302  -7.641 -20.604
  216    H    SER  27           H        SER  27  -3.498  -5.071 -19.140
  217    HA   SER  27           HA       SER  27  -5.715  -5.824 -19.293
  218   1HB   SER  27          2HB       SER  27  -4.258  -8.480 -19.195
  219   2HB   SER  27          1HB       SER  27  -5.983  -8.325 -19.514
  220    HG   SER  27           HG       SER  27  -3.794  -7.353 -21.025
  221    H    GLY  28           H        GLY  28  -6.372  -4.983 -17.250
  222   1HA   GLY  28          2HA       GLY  28  -7.744  -6.468 -15.458
  223   2HA   GLY  28          1HA       GLY  28  -6.099  -6.688 -14.859
  224    H    GLU  29           H        GLU  29  -5.340  -3.933 -15.770
  225    HA   GLU  29           HA       GLU  29  -5.225  -1.788 -14.827
  226   1HB   GLU  29          2HB       GLU  29  -7.597  -1.738 -15.674
  227   2HB   GLU  29          1HB       GLU  29  -8.124  -2.292 -14.085
  228   1HG   GLU  29          2HG       GLU  29  -7.537  -0.294 -13.042
  229   2HG   GLU  29          1HG       GLU  29  -6.343   0.116 -14.274
  230    H    SER  30           H        SER  30  -3.784  -2.353 -13.121
  231    HA   SER  30           HA       SER  30  -4.891  -2.078 -10.445
  232   1HB   SER  30          2HB       SER  30  -5.389  -4.401 -10.593
  233   2HB   SER  30          1HB       SER  30  -3.866  -4.754 -11.405
  234    HG   SER  30           HG       SER  30  -3.124  -5.104  -9.477
  235    H    ILE  31           H        ILE  31  -3.102  -2.188  -8.785
  236    HA   ILE  31           HA       ILE  31  -0.563  -1.188  -9.991
  237    HB   ILE  31           HB       ILE  31  -1.556  -0.932  -7.131
  238   1HG1  ILE  31          2HG1      ILE  31  -1.506   1.221  -9.259
  239   2HG1  ILE  31          1HG1      ILE  31  -2.933   0.226  -8.966
  240   1HG2  ILE  31          1HG2      ILE  31   0.882  -0.095  -8.619
  241   2HG2  ILE  31          3HG2      ILE  31   0.200   1.081  -7.497
  242   3HG2  ILE  31          2HG2      ILE  31   0.690  -0.510  -6.916
  243   1HD1  ILE  31          2HD1      ILE  31  -1.541   1.754  -6.758
  244   2HD1  ILE  31          1HD1      ILE  31  -2.854   2.446  -7.709
  245   3HD1  ILE  31          3HD1      ILE  31  -3.142   1.014  -6.720
  246    H    VAL  32           H        VAL  32   1.427  -2.153  -9.386
  247    HA   VAL  32           HA       VAL  32   1.225  -4.576  -7.645
  248    HB   VAL  32           HB       VAL  32   2.804  -4.424 -10.227
  249   1HG1  VAL  32          3HG1      VAL  32   3.628  -5.935  -8.366
  250   2HG1  VAL  32          2HG1      VAL  32   2.105  -6.813  -8.499
  251   3HG1  VAL  32          1HG1      VAL  32   3.219  -6.769  -9.866
  252   1HG2  VAL  32          1HG2      VAL  32   0.357  -4.427 -10.631
  253   2HG2  VAL  32          3HG2      VAL  32   1.094  -5.950 -11.129
  254   3HG2  VAL  32          2HG2      VAL  32   0.201  -5.857  -9.612
  255    H    VAL  33           H        VAL  33   2.810  -4.684  -6.128
  256    HA   VAL  33           HA       VAL  33   5.167  -2.860  -6.447
  257    HB   VAL  33           HB       VAL  33   3.774  -3.745  -3.894
  258   1HG1  VAL  33          3HG1      VAL  33   6.266  -3.413  -3.706
  259   2HG1  VAL  33          2HG1      VAL  33   6.037  -1.754  -4.254
  260   3HG1  VAL  33          1HG1      VAL  33   5.327  -2.284  -2.729
  261   1HG2  VAL  33          3HG2      VAL  33   3.586  -1.352  -5.653
  262   2HG2  VAL  33          2HG2      VAL  33   2.365  -2.082  -4.610
  263   3HG2  VAL  33          1HG2      VAL  33   3.614  -1.049  -3.915
  264    HA   PRO  34           HA       PRO  34   6.823  -7.081  -6.226
  265   1HB   PRO  34          2HB       PRO  34   9.104  -6.595  -7.670
  266   2HB   PRO  34          1HB       PRO  34   7.562  -7.051  -8.412
  267   1HG   PRO  34          2HG       PRO  34   8.895  -4.391  -8.337
  268   2HG   PRO  34          1HG       PRO  34   7.758  -5.046  -9.528
  269   1HD   PRO  34          2HD       PRO  34   7.123  -3.211  -7.479
  270   2HD   PRO  34          1HD       PRO  34   5.960  -4.133  -8.450
  271    H    ASN  35           H        ASN  35   8.682  -4.039  -6.016
  272    HA   ASN  35           HA       ASN  35  10.268  -5.227  -3.785
  273   1HB   ASN  35          2HB       ASN  35  10.919  -3.443  -5.988
  274   2HB   ASN  35          1HB       ASN  35  11.344  -2.703  -4.446
  275   1HD2  ASN  35          2HD2      ASN  35  13.530  -5.582  -3.618
  276   2HD2  ASN  35          1HD2      ASN  35  12.229  -4.774  -2.886
  277    H    ARG  36           H        ARG  36   8.363  -4.902  -2.383
  278    HA   ARG  36           HA       ARG  36   7.195  -2.367  -1.813
  279   1HB   ARG  36          2HB       ARG  36   6.230  -4.499  -1.048
  280   2HB   ARG  36          1HB       ARG  36   7.624  -4.773  -0.007
  281   1HG   ARG  36          2HG       ARG  36   6.628  -2.188   0.642
  282   2HG   ARG  36          1HG       ARG  36   5.229  -3.253   0.542
  283   1HD   ARG  36          2HD       ARG  36   5.795  -3.772   2.692
  284   2HD   ARG  36          1HD       ARG  36   6.952  -4.850   1.912
  285    HE   ARG  36           HE       ARG  36   7.900  -2.106   2.440
  286   1HH1  ARG  36          1HH2      ARG  36   9.676  -4.509   2.018
  287   2HH1  ARG  36          2HH2      ARG  36  10.199  -4.849   3.635
  288   1HH2  ARG  36          2HH1      ARG  36   7.722  -2.934   5.122
  289   2HH2  ARG  36          1HH1      ARG  36   9.094  -3.957   5.391
  290    H    GLU  37           H        GLU  37  10.282  -3.721  -0.941
  291    HA   GLU  37           HA       GLU  37  10.761  -1.996   1.343
  292   1HB   GLU  37          2HB       GLU  37  11.906  -4.198   0.964
  293   2HB   GLU  37          1HB       GLU  37  12.789  -3.457  -0.371
  294   1HG   GLU  37          2HG       GLU  37  14.310  -3.071   1.315
  295   2HG   GLU  37          1HG       GLU  37  13.318  -1.624   1.506
  296    H    ARG  38           H        ARG  38  12.515  -2.074  -1.787
  297    HA   ARG  38           HA       ARG  38  13.682   0.486  -1.516
  298   1HB   ARG  38          2HB       ARG  38  13.161  -1.375  -3.777
  299   2HB   ARG  38          1HB       ARG  38  13.534   0.298  -4.195
  300   1HG   ARG  38          2HG       ARG  38  15.681  -0.556  -4.069
  301   2HG   ARG  38          1HG       ARG  38  15.464  -0.052  -2.394
  302   1HD   ARG  38          2HD       ARG  38  16.055  -2.200  -1.921
  303   2HD   ARG  38          1HD       ARG  38  14.377  -2.560  -2.324
  304    HE   ARG  38           HE       ARG  38  15.456  -2.793  -4.759
  305   1HH1  ARG  38          1HH2      ARG  38  18.014  -3.268  -4.845
  306   2HH1  ARG  38          2HH2      ARG  38  18.370  -4.787  -4.091
  307   1HH2  ARG  38          2HH1      ARG  38  15.336  -4.966  -2.420
  308   2HH2  ARG  38          1HH1      ARG  38  16.852  -5.748  -2.718
  309    H    PHE  39           H        PHE  39  10.412  -0.344  -2.353
  310    HA   PHE  39           HA       PHE  39   9.801   2.138  -3.735
  311   1HB   PHE  39          2HB       PHE  39   8.450   0.152  -4.154
  312   2HB   PHE  39          1HB       PHE  39   8.018   0.043  -2.450
  313    HD1  PHE  39           HD1      PHE  39   7.596   2.071  -5.538
  314    HD2  PHE  39           HD2      PHE  39   6.301   1.412  -1.501
  315    HE1  PHE  39           HE1      PHE  39   5.660   3.570  -5.918
  316    HE2  PHE  39           HE2      PHE  39   4.362   2.912  -1.878
  317    HZ   PHE  39           HZ       PHE  39   4.042   3.992  -4.087
  318    H    VAL  40           H        VAL  40   8.476   0.938  -0.639
  319    HA   VAL  40           HA       VAL  40   7.444   3.328   0.337
  320    HB   VAL  40           HB       VAL  40   8.809   1.171   1.981
  321   1HG1  VAL  40          3HG1      VAL  40   6.946   3.444   2.665
  322   2HG1  VAL  40          2HG1      VAL  40   6.989   1.984   3.653
  323   3HG1  VAL  40          1HG1      VAL  40   8.442   2.965   3.467
  324   1HG2  VAL  40          3HG2      VAL  40   6.789   0.701   0.287
  325   2HG2  VAL  40          2HG2      VAL  40   6.857  -0.063   1.872
  326   3HG2  VAL  40          1HG2      VAL  40   5.847   1.360   1.621
  327    H    GLN  41           H        GLN  41  10.809   2.230   0.581
  328    HA   GLN  41           HA       GLN  41  11.640   4.401   2.297
  329   1HB   GLN  41          2HB       GLN  41  13.097   2.362   0.635
  330   2HB   GLN  41          1HB       GLN  41  13.971   3.663   1.442
  331   1HG   GLN  41          2HG       GLN  41  12.257   2.712   3.423
  332   2HG   GLN  41          1HG       GLN  41  12.767   1.248   2.582
  333   1HE2  GLN  41          2HE2      GLN  41  15.441   3.302   4.865
  334   2HE2  GLN  41          1HE2      GLN  41  13.864   3.885   4.637
  335    H    GLU  42           H        GLU  42  12.447   3.808  -1.164
  336    HA   GLU  42           HA       GLU  42  13.222   6.654  -1.376
  337   1HB   GLU  42          2HB       GLU  42  13.467   4.384  -3.362
  338   2HB   GLU  42          1HB       GLU  42  14.126   6.005  -3.579
  339   1HG   GLU  42          2HG       GLU  42  15.761   5.708  -1.962
  340   2HG   GLU  42          1HG       GLU  42  14.814   4.511  -1.077
  341    H    VAL  43           H        VAL  43  10.281   5.699  -1.332
  342    HA   VAL  43           HA       VAL  43   9.515   7.379  -3.651
  343    HB   VAL  43           HB       VAL  43   8.177   4.696  -3.218
  344   1HG1  VAL  43          3HG1      VAL  43   7.920   6.973  -5.159
  345   2HG1  VAL  43          2HG1      VAL  43   7.533   5.335  -5.685
  346   3HG1  VAL  43          1HG1      VAL  43   6.652   6.061  -4.341
  347   1HG2  VAL  43          3HG2      VAL  43  10.406   5.553  -5.080
  348   2HG2  VAL  43          2HG2      VAL  43  10.382   4.173  -3.981
  349   3HG2  VAL  43          1HG2      VAL  43   9.372   4.166  -5.426
  350    H    LEU  44           H        LEU  44   8.563   5.886  -0.569
  351    HA   LEU  44           HA       LEU  44   5.948   7.098  -0.513
  352   1HB   LEU  44          2HB       LEU  44   6.858   5.128   0.900
  353   2HB   LEU  44          1HB       LEU  44   7.507   6.377   1.959
  354    HG   LEU  44           HG       LEU  44   5.194   7.373   2.074
  355   1HD1  LEU  44          2HD1      LEU  44   4.598   4.860   0.503
  356   2HD1  LEU  44          1HD1      LEU  44   3.360   5.688   1.447
  357   3HD1  LEU  44          3HD1      LEU  44   4.153   6.521   0.111
  358   1HD2  LEU  44          2HD2      LEU  44   6.212   5.693   3.740
  359   2HD2  LEU  44          1HD2      LEU  44   4.456   5.858   3.758
  360   3HD2  LEU  44          3HD2      LEU  44   5.204   4.478   2.953
  361    HA   PRO  45           HA       PRO  45   7.909  10.457   2.143
  362   1HB   PRO  45          2HB       PRO  45  10.625  10.802   2.169
  363   2HB   PRO  45          1HB       PRO  45   9.752   9.814   3.353
  364   1HG   PRO  45          2HG       PRO  45  11.456   8.947   1.078
  365   2HG   PRO  45          1HG       PRO  45  11.075   8.096   2.584
  366   1HD   PRO  45          2HD       PRO  45   9.914   7.606   0.047
  367   2HD   PRO  45          1HD       PRO  45   9.353   6.970   1.602
  368    H    LYS  46           H        LYS  46   8.781   9.707  -1.054
  369    HA   LYS  46           HA       LYS  46   9.894  12.328  -1.731
  370   1HB   LYS  46          2HB       LYS  46   9.880   9.778  -2.913
  371   2HB   LYS  46          1HB       LYS  46   8.930  10.785  -4.004
  372   1HG   LYS  46          2HG       LYS  46  10.737  12.006  -4.647
  373   2HG   LYS  46          1HG       LYS  46  11.390  12.080  -3.011
  374   1HD   LYS  46          2HD       LYS  46  11.648   9.385  -3.725
  375   2HD   LYS  46          1HD       LYS  46  12.068  10.261  -5.195
  376   1HE   LYS  46          2HE       LYS  46  13.233  10.977  -2.497
  377   2HE   LYS  46          1HE       LYS  46  13.993   9.808  -3.575
  378   1HZ   LYS  46          3HZ       LYS  46  13.226  12.444  -4.621
  379   2HZ   LYS  46          2HZ       LYS  46  14.642  12.302  -3.694
  380   3HZ   LYS  46          1HZ       LYS  46  14.468  11.406  -5.127
  381    H    TYR  47           H        TYR  47   6.726  10.856  -1.626
  382    HA   TYR  47           HA       TYR  47   5.606  13.234  -3.052
  383   1HB   TYR  47          2HB       TYR  47   4.600  10.410  -2.703
  384   2HB   TYR  47          1HB       TYR  47   3.523  11.722  -3.190
  385    HD1  TYR  47           HD2      TYR  47   6.690   9.968  -4.092
  386    HD2  TYR  47           HD1      TYR  47   3.514  12.538  -5.417
  387    HE1  TYR  47           HE2      TYR  47   7.522   9.796  -6.421
  388    HE2  TYR  47           HE1      TYR  47   4.349  12.367  -7.746
  389    HH   TYR  47           HH       TYR  47   7.269  11.483  -8.588
  390    H    PHE  48           H        PHE  48   5.404  11.273  -0.126
  391    HA   PHE  48           HA       PHE  48   3.505  13.271   1.032
  392   1HB   PHE  48          2HB       PHE  48   4.144  10.472   2.017
  393   2HB   PHE  48          1HB       PHE  48   2.910  11.553   2.664
  394    HD1  PHE  48           HD2      PHE  48   3.914   9.565  -0.310
  395    HD2  PHE  48           HD1      PHE  48   0.785  11.820   1.586
  396    HE1  PHE  48           HE2      PHE  48   2.292   8.728  -1.989
  397    HE2  PHE  48           HE1      PHE  48  -0.835  10.982  -0.095
  398    HZ   PHE  48           HZ       PHE  48  -0.082   9.437  -1.881
  399    H    LYS  49           H        LYS  49   3.981  12.925   3.714
  400    HA   LYS  49           HA       LYS  49   6.899  13.504   4.014
  401   1HB   LYS  49          2HB       LYS  49   4.519  15.078   4.953
  402   2HB   LYS  49          1HB       LYS  49   6.008  15.115   5.897
  403   1HG   LYS  49          2HG       LYS  49   7.232  15.713   3.762
  404   2HG   LYS  49          1HG       LYS  49   5.655  15.911   2.997
  405   1HD   LYS  49          2HD       LYS  49   5.179  17.437   5.106
  406   2HD   LYS  49          1HD       LYS  49   6.937  17.560   5.146
  407   1HE   LYS  49          2HE       LYS  49   7.041  18.731   3.167
  408   2HE   LYS  49          1HE       LYS  49   5.611  17.941   2.503
  409   1HZ   LYS  49          2HZ       LYS  49   4.272  19.216   4.125
  410   2HZ   LYS  49          1HZ       LYS  49   5.675  20.061   4.579
  411   3HZ   LYS  49          3HZ       LYS  49   5.078  20.201   2.998
  412    H    HIS  50           H        HIS  50   4.276  13.456   6.422
  413    HA   HIS  50           HA       HIS  50   5.843  11.484   7.985
  414   1HB   HIS  50          2HB       HIS  50   3.535  13.325   8.618
  415   2HB   HIS  50          1HB       HIS  50   4.003  12.032   9.722
  416    HD1  HIS  50           HD1      HIS  50   7.080  12.191   9.381
  417    HD2  HIS  50           HD2      HIS  50   4.634  15.518   9.950
  418    HE1  HIS  50           HE1      HIS  50   8.562  14.018  10.323
  419    H    SER  51           H        SER  51   4.766  10.296   5.746
  420    HA   SER  51           HA       SER  51   2.438   8.763   6.843
  421   1HB   SER  51          2HB       SER  51   3.140   9.212   3.929
  422   2HB   SER  51          1HB       SER  51   1.724   8.364   4.544
  423    HG   SER  51           HG       SER  51   0.815  10.245   4.634
  424    H    ASN  52           H        ASN  52   2.813   6.625   7.167
  425    HA   ASN  52           HA       ASN  52   5.341   5.472   6.092
  426   1HB   ASN  52          2HB       ASN  52   4.274   5.415   8.636
  427   2HB   ASN  52          1HB       ASN  52   3.772   3.852   7.993
  428   1HD2  ASN  52          2HD2      ASN  52   6.971   2.532   8.602
  429   2HD2  ASN  52          1HD2      ASN  52   5.289   2.311   8.633
  430    H    PHE  53           H        PHE  53   5.036   2.947   5.704
  431    HA   PHE  53           HA       PHE  53   3.377   2.607   3.426
  432   1HB   PHE  53          2HB       PHE  53   3.752   0.119   3.834
  433   2HB   PHE  53          1HB       PHE  53   5.213   1.094   3.706
  434    HD1  PHE  53           HD1      PHE  53   2.880  -0.511   6.131
  435    HD2  PHE  53           HD2      PHE  53   6.741   1.275   5.522
  436    HE1  PHE  53           HE1      PHE  53   3.590  -1.272   8.383
  437    HE2  PHE  53           HE2      PHE  53   7.447   0.515   7.772
  438    HZ   PHE  53           HZ       PHE  53   5.873  -0.758   9.204
  439    H    ALA  54           H        ALA  54   2.748   2.045   6.838
  440    HA   ALA  54           HA       ALA  54   0.285   0.582   6.486
  441   1HB   ALA  54          1HB       ALA  54   1.837   0.989   8.618
  442   2HB   ALA  54          3HB       ALA  54   0.711   2.320   8.883
  443   3HB   ALA  54          2HB       ALA  54   0.112   0.664   8.792
  444    H    SER  55           H        SER  55   1.113   4.009   6.733
  445    HA   SER  55           HA       SER  55  -1.547   5.030   7.018
  446   1HB   SER  55          2HB       SER  55   0.371   6.467   7.435
  447   2HB   SER  55          1HB       SER  55   0.933   6.261   5.779
  448    HG   SER  55           HG       SER  55  -0.553   8.162   6.576
  449    H    PHE  56           H        PHE  56   0.477   4.510   4.120
  450    HA   PHE  56           HA       PHE  56  -1.433   5.427   2.213
  451   1HB   PHE  56          2HB       PHE  56   1.108   4.718   1.972
  452   2HB   PHE  56          1HB       PHE  56   0.405   3.157   1.547
  453    HD1  PHE  56           HD2      PHE  56  -1.461   3.147  -0.249
  454    HD2  PHE  56           HD1      PHE  56   1.231   6.435   0.369
  455    HE1  PHE  56           HE2      PHE  56  -1.971   3.991  -2.524
  456    HE2  PHE  56           HE1      PHE  56   0.722   7.280  -1.907
  457    HZ   PHE  56           HZ       PHE  56  -0.879   6.056  -3.353
  458    H    VAL  57           H        VAL  57  -0.916   2.238   3.679
  459    HA   VAL  57           HA       VAL  57  -2.825   0.820   2.063
  460    HB   VAL  57           HB       VAL  57  -1.952   0.247   4.914
  461   1HG1  VAL  57          1HG1      VAL  57  -3.352  -1.380   2.789
  462   2HG1  VAL  57          3HG1      VAL  57  -2.457  -2.149   4.099
  463   3HG1  VAL  57          2HG1      VAL  57  -3.837  -1.115   4.464
  464   1HG2  VAL  57          2HG2      VAL  57  -0.415   0.294   2.533
  465   2HG2  VAL  57          1HG2      VAL  57   0.049  -0.387   4.091
  466   3HG2  VAL  57          3HG2      VAL  57  -0.722  -1.407   2.878
  467    H    ARG  58           H        ARG  58  -3.124   2.888   4.882
  468    HA   ARG  58           HA       ARG  58  -5.783   2.060   5.640
  469   1HB   ARG  58          2HB       ARG  58  -3.891   4.204   6.365
  470   2HB   ARG  58          1HB       ARG  58  -5.585   4.682   6.479
  471   1HG   ARG  58          2HG       ARG  58  -4.836   2.019   7.601
  472   2HG   ARG  58          1HG       ARG  58  -4.330   3.450   8.501
  473   1HD   ARG  58          2HD       ARG  58  -6.570   4.219   8.743
  474   2HD   ARG  58          1HD       ARG  58  -7.167   3.090   7.526
  475    HE   ARG  58           HE       ARG  58  -6.033   1.514   9.563
  476   1HH1  ARG  58          1HH2      ARG  58  -7.521   4.133  10.713
  477   2HH1  ARG  58          2HH2      ARG  58  -8.962   3.360  11.286
  478   1HH2  ARG  58          2HH1      ARG  58  -8.337   0.376   9.637
  479   2HH2  ARG  58          1HH1      ARG  58  -9.424   1.236  10.678
  480    H    GLN  59           H        GLN  59  -4.550   4.749   3.634
  481    HA   GLN  59           HA       GLN  59  -7.103   5.878   3.023
  482   1HB   GLN  59          2HB       GLN  59  -4.418   5.947   1.657
  483   2HB   GLN  59          1HB       GLN  59  -5.827   6.694   0.908
  484   1HG   GLN  59          2HG       GLN  59  -4.868   8.451   2.155
  485   2HG   GLN  59          1HG       GLN  59  -6.173   7.868   3.189
  486   1HE2  GLN  59          2HE2      GLN  59  -3.994   6.920   5.785
  487   2HE2  GLN  59          1HE2      GLN  59  -5.593   7.163   5.268
  488    H    LEU  60           H        LEU  60  -5.157   3.425   1.293
  489    HA   LEU  60           HA       LEU  60  -6.951   3.104  -0.911
  490   1HB   LEU  60          2HB       LEU  60  -5.105   1.050   0.339
  491   2HB   LEU  60          1HB       LEU  60  -5.850   0.926  -1.246
  492    HG   LEU  60           HG       LEU  60  -4.078   3.247  -0.464
  493   1HD1  LEU  60          2HD1      LEU  60  -3.379   0.624  -1.809
  494   2HD1  LEU  60          1HD1      LEU  60  -2.343   2.050  -1.860
  495   3HD1  LEU  60          3HD1      LEU  60  -2.698   1.272  -0.317
  496   1HD2  LEU  60          2HD2      LEU  60  -5.627   3.586  -2.369
  497   2HD2  LEU  60          1HD2      LEU  60  -3.950   3.544  -2.912
  498   3HD2  LEU  60          3HD2      LEU  60  -4.986   2.136  -3.141
  499    H    ASN  61           H        ASN  61  -6.875   1.696   2.311
  500    HA   ASN  61           HA       ASN  61  -8.956  -0.260   1.787
  501   1HB   ASN  61          2HB       ASN  61  -7.430   0.701   4.148
  502   2HB   ASN  61          1HB       ASN  61  -9.027   0.031   4.482
  503   1HD2  ASN  61          2HD2      ASN  61  -8.011  -3.294   3.919
  504   2HD2  ASN  61          1HD2      ASN  61  -9.233  -2.238   4.441
  505    H    MET  62           H        MET  62  -8.939   3.133   2.589
  506    HA   MET  62           HA       MET  62 -11.613   3.182   3.717
  507   1HB   MET  62          2HB       MET  62  -9.713   5.311   2.736
  508   2HB   MET  62          1HB       MET  62 -11.345   5.705   3.275
  509   1HG   MET  62          2HG       MET  62 -10.502   4.100   5.323
  510   2HG   MET  62          1HG       MET  62  -8.984   4.864   4.856
  511   1HE   MET  62          1HE       MET  62  -8.199   6.318   6.079
  512   2HE   MET  62          3HE       MET  62  -8.611   7.751   5.128
  513   3HE   MET  62          2HE       MET  62  -8.895   7.731   6.867
  514    H    TYR  63           H        TYR  63 -10.249   3.908   0.507
  515    HA   TYR  63           HA       TYR  63 -12.899   4.585  -0.559
  516   1HB   TYR  63          2HB       TYR  63 -10.300   4.122  -2.051
  517   2HB   TYR  63          1HB       TYR  63 -11.740   4.931  -2.670
  518    HD1  TYR  63           HD2      TYR  63 -12.598   6.984  -1.267
  519    HD2  TYR  63           HD1      TYR  63  -8.612   5.398  -1.042
  520    HE1  TYR  63           HE2      TYR  63 -11.795   9.136  -0.329
  521    HE2  TYR  63           HE1      TYR  63  -7.808   7.548  -0.106
  522    HH   TYR  63           HH       TYR  63  -9.075   9.531   1.287
  523    H    GLY  64           H        GLY  64 -10.529   1.963  -1.094
  524   1HA   GLY  64          2HA       GLY  64 -12.449  -0.123  -1.200
  525   2HA   GLY  64          1HA       GLY  64 -12.133   0.406  -2.855
  526    H    TRP  65           H        TRP  65 -10.494  -0.639  -3.846
  527    HA   TRP  65           HA       TRP  65  -8.604  -1.999  -4.168
  528   1HB   TRP  65          2HB       TRP  65  -7.602  -0.460  -1.744
  529   2HB   TRP  65          1HB       TRP  65  -6.611  -1.298  -2.943
  530    HD1  TRP  65           HD1      TRP  65  -8.364   1.942  -2.307
  531    HE1  TRP  65           HE1      TRP  65  -8.133   3.485  -4.359
  532    HE3  TRP  65           HE3      TRP  65  -6.471  -1.373  -5.696
  533    HZ2  TRP  65           HZ2      TRP  65  -7.261   3.332  -7.078
  534    HZ3  TRP  65           HZ3      TRP  65  -5.951  -0.652  -8.006
  535    HH2  TRP  65           HH2      TRP  65  -6.342   1.696  -8.703
  536    H    HIS  66           H        HIS  66  -9.271  -4.101  -3.715
  537    HA   HIS  66           HA       HIS  66  -8.955  -4.982  -0.871
  538   1HB   HIS  66          2HB       HIS  66 -10.793  -6.113  -2.997
  539   2HB   HIS  66          1HB       HIS  66 -10.649  -6.712  -1.345
  540    HD1  HIS  66           HD1      HIS  66 -12.697  -4.545  -3.293
  541    HD2  HIS  66           HD2      HIS  66 -11.155  -4.348   0.575
  542    HE1  HIS  66           HE1      HIS  66 -14.111  -2.856  -2.044
  543    H    LYS  67           H        LYS  67  -6.960  -4.948  -3.122
  544    HA   LYS  67           HA       LYS  67  -5.268  -6.348  -3.953
  545   1HB   LYS  67          2HB       LYS  67  -6.172  -8.066  -1.623
  546   2HB   LYS  67          1HB       LYS  67  -4.646  -8.240  -2.493
  547   1HG   LYS  67          2HG       LYS  67  -3.928  -6.032  -1.797
  548   2HG   LYS  67          1HG       LYS  67  -5.504  -5.699  -1.079
  549   1HD   LYS  67          2HD       LYS  67  -5.072  -7.771   0.393
  550   2HD   LYS  67          1HD       LYS  67  -3.395  -7.644  -0.137
  551   1HE   LYS  67          2HE       LYS  67  -3.292  -6.311   1.748
  552   2HE   LYS  67          1HE       LYS  67  -3.753  -5.093   0.558
  553   1HZ   LYS  67          1HZ       LYS  67  -6.084  -5.497   1.155
  554   2HZ   LYS  67          3HZ       LYS  67  -5.586  -6.583   2.358
  555   3HZ   LYS  67          2HZ       LYS  67  -5.173  -4.940   2.475
  556    H    VAL  68           H        VAL  68  -4.850  -8.619  -4.852
  557    HA   VAL  68           HA       VAL  68  -7.325  -9.551  -6.197
  558    HB   VAL  68           HB       VAL  68  -5.356  -8.974  -7.590
  559   1HG1  VAL  68          3HG1      VAL  68  -3.871 -10.152  -5.605
  560   2HG1  VAL  68          2HG1      VAL  68  -3.857 -11.405  -6.844
  561   3HG1  VAL  68          1HG1      VAL  68  -3.266  -9.787  -7.221
  562   1HG2  VAL  68          3HG2      VAL  68  -7.029 -11.099  -7.889
  563   2HG2  VAL  68          2HG2      VAL  68  -5.816 -10.637  -9.082
  564   3HG2  VAL  68          1HG2      VAL  68  -5.466 -11.916  -7.921
  565    H    GLN  69           H        GLN  69  -7.868 -11.826  -6.248
  566    HA   GLN  69           HA       GLN  69  -7.150 -13.204  -3.743
  567   1HB   GLN  69          2HB       GLN  69  -9.476 -13.039  -5.248
  568   2HB   GLN  69          1HB       GLN  69  -8.884 -14.657  -5.620
  569   1HG   GLN  69          2HG       GLN  69  -8.976 -15.345  -3.375
  570   2HG   GLN  69          1HG       GLN  69  -8.974 -13.689  -2.769
  571   1HE2  GLN  69          2HE2      GLN  69 -12.481 -15.091  -2.639
  572   2HE2  GLN  69          1HE2      GLN  69 -10.995 -15.633  -2.026
  573    H    ASP  70           H        ASP  70  -6.461 -13.442  -7.166
  574    HA   ASP  70           HA       ASP  70  -4.907 -14.776  -8.311
  575   1HB   ASP  70          2HB       ASP  70  -3.733 -14.478  -5.891
  576   2HB   ASP  70          1HB       ASP  70  -4.006 -16.221  -5.871
  577    H    VAL  71           H        VAL  71  -4.329 -17.269  -8.501
  578    HA   VAL  71           HA       VAL  71  -6.835 -18.666  -8.791
  579    HB   VAL  71           HB       VAL  71  -4.012 -19.778  -8.879
  580   1HG1  VAL  71          2HG1      VAL  71  -6.113 -21.328  -8.735
  581   2HG1  VAL  71          1HG1      VAL  71  -6.399 -20.812 -10.397
  582   3HG1  VAL  71          3HG1      VAL  71  -4.906 -21.649  -9.979
  583   1HG2  VAL  71          3HG2      VAL  71  -4.949 -17.770 -10.455
  584   2HG2  VAL  71          2HG2      VAL  71  -3.795 -18.978 -11.014
  585   3HG2  VAL  71          1HG2      VAL  71  -5.513 -19.168 -11.369
  586    H    LYS  72           H        LYS  72  -3.982 -19.673  -6.873
  587    HA   LYS  72           HA       LYS  72  -5.468 -20.045  -4.435
  588   1HB   LYS  72          2HB       LYS  72  -5.468 -22.233  -6.398
  589   2HB   LYS  72          1HB       LYS  72  -4.869 -22.728  -4.817
  590   1HG   LYS  72          2HG       LYS  72  -7.204 -21.041  -4.498
  591   2HG   LYS  72          1HG       LYS  72  -7.571 -22.374  -5.592
  592   1HD   LYS  72          2HD       LYS  72  -6.017 -23.118  -3.184
  593   2HD   LYS  72          1HD       LYS  72  -7.664 -22.574  -2.873
  594   1HE   LYS  72          2HE       LYS  72  -7.975 -24.256  -5.054
  595   2HE   LYS  72          1HE       LYS  72  -6.727 -25.064  -4.106
  596   1HZ   LYS  72          2HZ       LYS  72  -9.161 -24.015  -2.811
  597   2HZ   LYS  72          1HZ       LYS  72  -9.172 -25.537  -3.564
  598   3HZ   LYS  72          3HZ       LYS  72  -8.109 -25.238  -2.276
  599    H    SER  73           H        SER  73  -2.974 -22.096  -5.958
  600    HA   SER  73           HA       SER  73  -1.219 -21.764  -3.650
  601   1HB   SER  73          2HB       SER  73   0.387 -23.034  -5.296
  602   2HB   SER  73          1HB       SER  73  -1.000 -23.882  -4.617
  603    HG   SER  73           HG       SER  73  -1.768 -24.052  -6.559
  604    H    GLY  74           H        GLY  74  -0.835 -21.003  -7.134
  605   1HA   GLY  74          2HA       GLY  74  -0.052 -18.852  -7.941
  606   2HA   GLY  74          1HA       GLY  74   0.654 -18.547  -6.353
  607    H    SER  75           H        SER  75   1.816 -21.268  -6.226
  608    HA   SER  75           HA       SER  75   3.656 -22.525  -6.957
  609   1HB   SER  75          2HB       SER  75   2.872 -21.781  -9.345
  610   2HB   SER  75          1HB       SER  75   4.198 -20.627  -9.227
  611    HG   SER  75           HG       SER  75   4.809 -22.663 -10.150
  612    H    MET  76           H        MET  76   4.487 -19.171  -7.904
  613    HA   MET  76           HA       MET  76   6.149 -18.827  -5.532
  614   1HB   MET  76          2HB       MET  76   8.273 -18.556  -6.837
  615   2HB   MET  76          1HB       MET  76   7.673 -20.214  -6.818
  616   1HG   MET  76          2HG       MET  76   6.999 -20.141  -9.042
  617   2HG   MET  76          1HG       MET  76   6.812 -18.387  -9.032
  618   1HE   MET  76          3HE       MET  76   8.760 -21.356  -8.897
  619   2HE   MET  76          2HE       MET  76  10.071 -21.108 -10.048
  620   3HE   MET  76          1HE       MET  76  10.343 -20.803  -8.334
  621    H    LEU  77           H        LEU  77   3.975 -17.442  -7.081
  622    HA   LEU  77           HA       LEU  77   5.333 -14.995  -8.036
  623   1HB   LEU  77          2HB       LEU  77   3.041 -16.254  -8.860
  624   2HB   LEU  77          1HB       LEU  77   2.384 -14.986  -7.824
  625    HG   LEU  77           HG       LEU  77   3.961 -13.384  -9.090
  626   1HD1  LEU  77          1HD1      LEU  77   4.231 -15.927 -10.643
  627   2HD1  LEU  77          3HD1      LEU  77   4.181 -14.411 -11.542
  628   3HD1  LEU  77          2HD1      LEU  77   5.431 -14.674 -10.326
  629   1HD2  LEU  77          3HD2      LEU  77   1.395 -13.794  -9.390
  630   2HD2  LEU  77          2HD2      LEU  77   2.262 -12.900 -10.639
  631   3HD2  LEU  77          1HD2      LEU  77   1.870 -14.602 -10.884
  632    H    SER  78           H        SER  78   5.028 -15.989  -5.066
  633    HA   SER  78           HA       SER  78   4.680 -13.318  -3.950
  634   1HB   SER  78          2HB       SER  78   2.337 -14.607  -4.213
  635   2HB   SER  78          1HB       SER  78   2.872 -15.345  -2.707
  636    HG   SER  78           HG       SER  78   1.655 -13.171  -2.786
  637    H    ASN  79           H        ASN  79   6.644 -13.468  -2.902
  638    HA   ASN  79           HA       ASN  79   7.751 -15.820  -1.742
  639   1HB   ASN  79          2HB       ASN  79   8.279 -12.896  -1.570
  640   2HB   ASN  79          1HB       ASN  79   8.928 -13.890  -0.265
  641   1HD2  ASN  79          2HD2      ASN  79  11.541 -15.155  -2.251
  642   2HD2  ASN  79          1HD2      ASN  79  10.887 -14.931  -0.700
  643    H    ASN  80           H        ASN  80   6.728 -13.019   0.223
  644    HA   ASN  80           HA       ASN  80   5.094 -14.783   1.940
  645   1HB   ASN  80          2HB       ASN  80   7.702 -13.544   2.760
  646   2HB   ASN  80          1HB       ASN  80   6.411 -13.695   3.953
  647   1HD2  ASN  80          2HD2      ASN  80   6.392 -17.375   3.549
  648   2HD2  ASN  80          1HD2      ASN  80   5.257 -16.114   3.482
  649    H    ASP  81           H        ASP  81   6.635 -11.575   2.331
  650    HA   ASP  81           HA       ASP  81   3.928 -10.333   2.207
  651   1HB   ASP  81          2HB       ASP  81   4.888 -10.822   4.618
  652   2HB   ASP  81          1HB       ASP  81   5.879  -9.400   4.289
  653    H    SER  82           H        SER  82   6.304 -10.417   0.385
  654    HA   SER  82           HA       SER  82   7.001  -7.506   0.398
  655   1HB   SER  82          2HB       SER  82   8.893  -9.185   0.574
  656   2HB   SER  82          1HB       SER  82   8.472  -9.721  -1.050
  657    HG   SER  82           HG       SER  82   9.570  -8.081  -1.738
  658    H    ARG  83           H        ARG  83   4.636  -9.134  -0.867
  659    HA   ARG  83           HA       ARG  83   4.891  -7.843  -3.544
  660   1HB   ARG  83          2HB       ARG  83   5.216 -10.408  -3.557
  661   2HB   ARG  83          1HB       ARG  83   3.499 -10.499  -3.166
  662   1HG   ARG  83          2HG       ARG  83   4.053  -8.641  -5.370
  663   2HG   ARG  83          1HG       ARG  83   4.571 -10.287  -5.726
  664   1HD   ARG  83          2HD       ARG  83   2.373 -11.162  -5.313
  665   2HD   ARG  83          1HD       ARG  83   1.827  -9.631  -4.629
  666    HE   ARG  83           HE       ARG  83   1.766  -8.700  -6.865
  667   1HH1  ARG  83          1HH2      ARG  83   4.018 -10.198  -8.118
  668   2HH1  ARG  83          2HH2      ARG  83   3.193 -11.306  -9.161
  669   1HH2  ARG  83          2HH1      ARG  83   0.126 -10.916  -7.594
  670   2HH2  ARG  83          1HH1      ARG  83   0.992 -11.713  -8.865
  671    H    TRP  84           H        TRP  84   3.545  -6.137  -2.916
  672    HA   TRP  84           HA       TRP  84   0.894  -6.776  -1.765
  673   1HB   TRP  84          2HB       TRP  84   2.314  -4.156  -2.298
  674   2HB   TRP  84          1HB       TRP  84   0.699  -4.278  -1.600
  675    HD1  TRP  84           HD1      TRP  84   4.176  -5.848  -0.896
  676    HE1  TRP  84           HE1      TRP  84   4.503  -5.942   1.661
  677    HE3  TRP  84           HE3      TRP  84  -0.284  -3.898   0.632
  678    HZ2  TRP  84           HZ2      TRP  84   3.053  -5.281   4.043
  679    HZ3  TRP  84           HZ3      TRP  84  -0.790  -3.645   3.044
  680    HH2  TRP  84           HH2      TRP  84   0.871  -4.334   4.750
  681    H    GLU  85           H        GLU  85  -0.891  -6.901  -3.015
  682    HA   GLU  85           HA       GLU  85  -0.732  -5.860  -5.812
  683   1HB   GLU  85          2HB       GLU  85  -2.155  -8.173  -4.530
  684   2HB   GLU  85          1HB       GLU  85  -2.868  -7.429  -5.963
  685   1HG   GLU  85          2HG       GLU  85   0.049  -8.015  -6.071
  686   2HG   GLU  85          1HG       GLU  85  -1.042  -9.400  -6.128
  687    H    PHE  86           H        PHE  86  -2.737  -4.806  -6.637
  688    HA   PHE  86           HA       PHE  86  -4.648  -3.873  -4.568
  689   1HB   PHE  86          2HB       PHE  86  -2.973  -1.985  -6.247
  690   2HB   PHE  86          1HB       PHE  86  -4.298  -1.502  -5.190
  691    HD1  PHE  86           HD2      PHE  86  -0.864  -2.864  -5.311
  692    HD2  PHE  86           HD1      PHE  86  -4.055  -1.501  -2.788
  693    HE1  PHE  86           HE2      PHE  86   0.694  -2.794  -3.381
  694    HE2  PHE  86           HE1      PHE  86  -2.501  -1.428  -0.856
  695    HZ   PHE  86           HZ       PHE  86  -0.125  -2.076  -1.154
  696    H    GLU  87           H        GLU  87  -6.403  -4.785  -5.694
  697    HA   GLU  87           HA       GLU  87  -6.815  -3.766  -8.476
  698   1HB   GLU  87          2HB       GLU  87  -8.189  -5.713  -8.922
  699   2HB   GLU  87          1HB       GLU  87  -6.656  -6.267  -8.254
  700   1HG   GLU  87          2HG       GLU  87  -7.687  -6.518  -6.040
  701   2HG   GLU  87          1HG       GLU  87  -9.211  -5.896  -6.658
  702    H    ASN  88           H        ASN  88  -8.855  -2.870  -8.992
  703    HA   ASN  88           HA       ASN  88 -10.472  -2.072  -6.613
  704   1HB   ASN  88          2HB       ASN  88  -9.460  -0.254  -8.015
  705   2HB   ASN  88          1HB       ASN  88 -10.431  -0.822  -9.374
  706   1HD2  ASN  88          2HD2      ASN  88 -13.029   1.301  -8.315
  707   2HD2  ASN  88          1HD2      ASN  88 -12.018   0.794  -9.579
  708    H    GLU  89           H        GLU  89 -11.622  -4.144  -6.656
  709    HA   GLU  89           HA       GLU  89 -13.465  -5.480  -7.212
  710   1HB   GLU  89          2HB       GLU  89 -14.549  -3.166  -7.155
  711   2HB   GLU  89          1HB       GLU  89 -14.393  -3.158  -8.912
  712   1HG   GLU  89          2HG       GLU  89 -15.637  -5.337  -8.973
  713   2HG   GLU  89          1HG       GLU  89 -15.914  -5.176  -7.238
  714    H    ARG  90           H        ARG  90 -12.692  -7.124  -8.492
  715    HA   ARG  90           HA       ARG  90 -11.645  -6.789 -11.140
  716   1HB   ARG  90          2HB       ARG  90 -11.550  -8.821  -9.411
  717   2HB   ARG  90          1HB       ARG  90 -12.932  -9.372 -10.360
  718   1HG   ARG  90          2HG       ARG  90 -11.305  -8.661 -12.378
  719   2HG   ARG  90          1HG       ARG  90 -10.083  -9.059 -11.167
  720   1HD   ARG  90          2HD       ARG  90 -11.275 -11.250 -10.801
  721   2HD   ARG  90          1HD       ARG  90 -12.302 -10.856 -12.178
  722    HE   ARG  90           HE       ARG  90  -9.334 -11.044 -12.467
  723   1HH1  ARG  90          2HH1      ARG  90 -10.561 -10.258 -14.924
  724   2HH1  ARG  90          1HH1      ARG  90 -10.990 -11.747 -15.699
  725   1HH2  ARG  90          1HH2      ARG  90 -10.759 -13.630 -12.795
  726   2HH2  ARG  90          2HH2      ARG  90 -11.104 -13.658 -14.492
  727    H    HIS  91           H        HIS  91 -14.716  -8.397 -10.204
  728    HA   HIS  91           HA       HIS  91 -16.020  -7.079 -12.531
  729   1HB   HIS  91          2HB       HIS  91 -15.138  -9.597 -12.846
  730   2HB   HIS  91          1HB       HIS  91 -16.678  -9.950 -12.063
  731    HD1  HIS  91           HD1      HIS  91 -18.810  -9.549 -13.396
  732    HD2  HIS  91           HD2      HIS  91 -15.400  -8.204 -15.381
  733    HE1  HIS  91           HE1      HIS  91 -19.537  -8.959 -15.748
  734    H    ALA  92           HN       ALA  92 -18.319  -6.896 -12.293
  735    HA   ALA  92           HA       ALA  92 -19.668  -7.970  -9.941
  736   1HB   ALA  92          2HB       ALA  92 -18.400  -6.073  -8.954
  737   2HB   ALA  92          1HB       ALA  92 -19.170  -4.981 -10.104
  738   3HB   ALA  92          3HB       ALA  92 -20.142  -5.804  -8.886
   
  No H/Q in entry =         738
  Start of MODEL          20
 Raw file had  756 H/Q atoms
  Start of MODEL   20
    1   1H    ALA   1          3H        ALA   1 -12.465  17.663  -6.162
    2   2H    ALA   1          2H        ALA   1 -13.748  18.763  -6.330
    3   3H    ALA   1          1H        ALA   1 -13.331  18.166  -4.794
    4    HA   ALA   1           HA       ALA   1 -15.211  16.942  -5.349
    5   1HB   ALA   1          2HB       ALA   1 -14.007  17.087  -8.087
    6   2HB   ALA   1          1HB       ALA   1 -15.063  15.726  -7.708
    7   3HB   ALA   1          3HB       ALA   1 -15.670  17.377  -7.580
    8    H    ARG   2           H        ARG   2 -12.178  15.821  -6.910
    9    HA   ARG   2           HA       ARG   2 -12.518  13.150  -5.740
   10   1HB   ARG   2          2HB       ARG   2 -10.409  14.433  -7.484
   11   2HB   ARG   2          1HB       ARG   2 -10.183  12.828  -6.789
   12   1HG   ARG   2          2HG       ARG   2 -12.723  13.467  -8.263
   13   2HG   ARG   2          1HG       ARG   2 -11.268  13.050  -9.167
   14   1HD   ARG   2          2HD       ARG   2 -11.491  10.862  -8.660
   15   2HD   ARG   2          1HD       ARG   2 -11.684  11.214  -6.942
   16    HE   ARG   2           HE       ARG   2 -14.136  11.894  -7.902
   17   1HH1  ARG   2          1HH2      ARG   2 -14.661  10.483 -10.105
   18   2HH1  ARG   2          2HH2      ARG   2 -14.823   8.813  -9.675
   19   1HH2  ARG   2          2HH1      ARG   2 -13.230   9.174  -6.614
   20   2HH2  ARG   2          1HH1      ARG   2 -14.014   8.072  -7.696
   21    HA   PRO   3           HA       PRO   3  -9.885  14.059  -2.358
   22   1HB   PRO   3          2HB       PRO   3  -8.903  11.593  -1.671
   23   2HB   PRO   3          1HB       PRO   3 -10.581  12.091  -1.391
   24   1HG   PRO   3          2HG       PRO   3  -9.492  10.233  -3.436
   25   2HG   PRO   3          1HG       PRO   3 -11.111  10.291  -2.721
   26   1HD   PRO   3          2HD       PRO   3 -10.385  11.264  -5.277
   27   2HD   PRO   3          1HD       PRO   3 -11.907  11.587  -4.423
   28    H    ALA   4           H        ALA   4  -7.679  14.258  -1.609
   29    HA   ALA   4           HA       ALA   4  -5.731  14.607  -3.679
   30   1HB   ALA   4          2HB       ALA   4  -5.886  15.733  -1.351
   31   2HB   ALA   4          1HB       ALA   4  -5.039  14.304  -0.761
   32   3HB   ALA   4          3HB       ALA   4  -4.282  15.342  -1.970
   33    H    PHE   5           H        PHE   5  -6.621  11.800  -1.839
   34    HA   PHE   5           HA       PHE   5  -4.044  10.455  -2.102
   35   1HB   PHE   5          2HB       PHE   5  -5.761   9.951  -0.309
   36   2HB   PHE   5          1HB       PHE   5  -6.742   9.194  -1.566
   37    HD1  PHE   5           HD2      PHE   5  -3.218   9.164  -0.273
   38    HD2  PHE   5           HD1      PHE   5  -6.456   6.919  -1.980
   39    HE1  PHE   5           HE2      PHE   5  -1.876   7.088  -0.087
   40    HE2  PHE   5           HE1      PHE   5  -5.116   4.842  -1.792
   41    HZ   PHE   5           HZ       PHE   5  -2.825   4.926  -0.847
   42    H    VAL   6           H        VAL   6  -7.247  10.036  -3.652
   43    HA   VAL   6           HA       VAL   6  -6.345   8.088  -5.551
   44    HB   VAL   6           HB       VAL   6  -8.666  10.038  -5.759
   45   1HG1  VAL   6          2HG1      VAL   6  -7.647   7.901  -7.501
   46   2HG1  VAL   6          1HG1      VAL   6  -9.347   7.706  -7.085
   47   3HG1  VAL   6          3HG1      VAL   6  -8.793   9.189  -7.863
   48   1HG2  VAL   6          1HG2      VAL   6  -8.416   8.331  -3.761
   49   2HG2  VAL   6          3HG2      VAL   6  -9.962   8.482  -4.596
   50   3HG2  VAL   6          2HG2      VAL   6  -8.880   7.143  -4.978
   51    H    ASN   7           H        ASN   7  -6.045  11.563  -5.424
   52    HA   ASN   7           HA       ASN   7  -5.517  11.884  -8.284
   53   1HB   ASN   7          2HB       ASN   7  -5.288  13.666  -5.860
   54   2HB   ASN   7          1HB       ASN   7  -4.624  14.167  -7.416
   55   1HD2  ASN   7          2HD2      ASN   7  -7.854  14.487  -8.968
   56   2HD2  ASN   7          1HD2      ASN   7  -6.228  14.140  -9.303
   57    H    LYS   8           H        LYS   8  -3.516  11.711  -5.316
   58    HA   LYS   8           HA       LYS   8  -1.040  12.092  -6.765
   59   1HB   LYS   8          2HB       LYS   8   0.082  11.553  -4.705
   60   2HB   LYS   8          1HB       LYS   8  -1.320  12.533  -4.300
   61   1HG   LYS   8          2HG       LYS   8  -2.582  10.504  -3.701
   62   2HG   LYS   8          1HG       LYS   8  -1.197   9.502  -4.132
   63   1HD   LYS   8          2HD       LYS   8  -1.107  11.666  -2.007
   64   2HD   LYS   8          1HD       LYS   8  -1.426   9.969  -1.654
   65   1HE   LYS   8          2HE       LYS   8   1.025  10.763  -3.220
   66   2HE   LYS   8          1HE       LYS   8   1.024  10.835  -1.462
   67   1HZ   LYS   8          1HZ       LYS   8   0.050   8.443  -1.719
   68   2HZ   LYS   8          3HZ       LYS   8   0.818   8.506  -3.230
   69   3HZ   LYS   8          2HZ       LYS   8   1.725   8.710  -1.808
   70    H    LEU   9           H        LEU   9  -3.102   9.351  -6.263
   71    HA   LEU   9           HA       LEU   9  -1.121   7.285  -6.593
   72   1HB   LEU   9          2HB       LEU   9  -3.520   7.015  -5.729
   73   2HB   LEU   9          1HB       LEU   9  -4.024   7.085  -7.419
   74    HG   LEU   9           HG       LEU   9  -2.278   5.236  -7.830
   75   1HD1  LEU   9          1HD1      LEU   9  -2.467   5.265  -4.815
   76   2HD1  LEU   9          3HD1      LEU   9  -1.982   3.822  -5.705
   77   3HD1  LEU   9          2HD1      LEU   9  -1.017   5.293  -5.815
   78   1HD2  LEU   9          3HD2      LEU   9  -4.924   5.018  -6.469
   79   2HD2  LEU   9          2HD2      LEU   9  -4.415   4.400  -8.041
   80   3HD2  LEU   9          1HD2      LEU   9  -3.952   3.550  -6.567
   81    H    TRP  10           H        TRP  10  -2.885   9.343  -8.819
   82    HA   TRP  10           HA       TRP  10  -2.228   7.745 -11.174
   83   1HB   TRP  10          2HB       TRP  10  -3.112  10.637 -11.115
   84   2HB   TRP  10          1HB       TRP  10  -3.275   9.494 -12.444
   85    HD1  TRP  10           HD1      TRP  10  -5.576  11.120 -10.635
   86    HE1  TRP  10           HE1      TRP  10  -7.562   9.716  -9.793
   87    HE3  TRP  10           HE3      TRP  10  -3.586   6.412 -11.011
   88    HZ2  TRP  10           HZ2      TRP  10  -8.227   6.983  -9.341
   89    HZ3  TRP  10           HZ3      TRP  10  -4.924   4.439 -10.359
   90    HH2  TRP  10           HH2      TRP  10  -7.241   4.716  -9.525
   91    H    SER  11           H        SER  11  -0.451   9.923  -9.236
   92    HA   SER  11           HA       SER  11   1.293  10.723 -11.507
   93   1HB   SER  11          2HB       SER  11   0.960  11.693  -8.677
   94   2HB   SER  11          1HB       SER  11   2.418  12.074  -9.588
   95    HG   SER  11           HG       SER  11   1.230  13.189 -11.037
   96    H    MET  12           H        MET  12   1.276   8.780  -8.563
   97    HA   MET  12           HA       MET  12   4.169   8.251  -8.746
   98   1HB   MET  12          2HB       MET  12   3.748   6.739  -6.808
   99   2HB   MET  12          1HB       MET  12   3.184   8.381  -6.528
  100   1HG   MET  12          2HG       MET  12   1.128   7.583  -6.086
  101   2HG   MET  12          1HG       MET  12   1.019   6.992  -7.738
  102   1HE   MET  12          1HE       MET  12   1.317   6.441  -4.172
  103   2HE   MET  12          3HE       MET  12   1.814   4.768  -3.880
  104   3HE   MET  12          2HE       MET  12   3.003   5.972  -4.371
  105    H    VAL  13           H        VAL  13   1.150   6.663  -9.647
  106    HA   VAL  13           HA       VAL  13   2.598   4.184 -10.355
  107    HB   VAL  13           HB       VAL  13  -0.318   4.678 -10.943
  108   1HG1  VAL  13          1HG1      VAL  13   1.229   2.608 -11.563
  109   2HG1  VAL  13          3HG1      VAL  13   0.877   2.146  -9.897
  110   3HG1  VAL  13          2HG1      VAL  13  -0.440   2.374 -11.048
  111   1HG2  VAL  13          2HG2      VAL  13   0.281   5.275  -8.500
  112   2HG2  VAL  13          1HG2      VAL  13  -0.957   4.049  -8.736
  113   3HG2  VAL  13          3HG2      VAL  13   0.683   3.574  -8.307
  114    H    ASN  14           H        ASN  14   2.168   7.119 -11.863
  115    HA   ASN  14           HA       ASN  14   1.284   6.471 -14.472
  116   1HB   ASN  14          2HB       ASN  14   1.944   8.774 -13.351
  117   2HB   ASN  14          1HB       ASN  14   3.505   8.445 -14.104
  118   1HD2  ASN  14          2HD2      ASN  14   0.253   9.217 -16.485
  119   2HD2  ASN  14          1HD2      ASN  14   0.017   8.801 -14.857
  120    H    ASP  15           H        ASP  15   4.231   5.594 -12.879
  121    HA   ASP  15           HA       ASP  15   5.959   4.194 -13.596
  122   1HB   ASP  15          2HB       ASP  15   4.077   3.176 -15.052
  123   2HB   ASP  15          1HB       ASP  15   4.776   4.121 -16.367
  124    H    LYS  16           H        LYS  16   5.464   7.292 -14.568
  125    HA   LYS  16           HA       LYS  16   7.673   7.405 -16.528
  126   1HB   LYS  16          2HB       LYS  16   5.684   8.886 -16.794
  127   2HB   LYS  16          1HB       LYS  16   6.073   9.651 -15.253
  128   1HG   LYS  16          2HG       LYS  16   8.077  10.591 -16.095
  129   2HG   LYS  16          1HG       LYS  16   8.092   9.516 -17.494
  130   1HD   LYS  16          2HD       LYS  16   5.963  10.620 -18.268
  131   2HD   LYS  16          1HD       LYS  16   6.159  11.787 -16.960
  132   1HE   LYS  16          2HE       LYS  16   7.208  12.903 -18.715
  133   2HE   LYS  16          1HE       LYS  16   8.577  12.070 -17.976
  134   1HZ   LYS  16          1HZ       LYS  16   8.285  10.274 -19.576
  135   2HZ   LYS  16          3HZ       LYS  16   6.997  11.107 -20.300
  136   3HZ   LYS  16          2HZ       LYS  16   8.567  11.754 -20.360
  137    H    SER  17           H        SER  17   6.989   9.238 -13.530
  138    HA   SER  17           HA       SER  17   9.833   9.622 -13.019
  139   1HB   SER  17          2HB       SER  17   7.785  10.020 -10.876
  140   2HB   SER  17          1HB       SER  17   9.168  11.025 -11.303
  141    HG   SER  17           HG       SER  17   7.864  12.137 -12.503
  142    H    ASN  18           H        ASN  18   7.433   7.237 -12.189
  143    HA   ASN  18           HA       ASN  18   9.376   5.959 -10.307
  144   1HB   ASN  18          2HB       ASN  18   6.462   5.231 -10.268
  145   2HB   ASN  18          1HB       ASN  18   7.632   5.202  -8.955
  146   1HD2  ASN  18          2HD2      ASN  18   6.475   8.298  -7.749
  147   2HD2  ASN  18          1HD2      ASN  18   7.106   6.762  -7.413
  148    H    GLU  19           H        GLU  19   9.619   5.592 -13.064
  149    HA   GLU  19           HA       GLU  19   8.150   3.439 -14.181
  150   1HB   GLU  19          2HB       GLU  19   9.670   4.953 -15.448
  151   2HB   GLU  19          1HB       GLU  19  11.048   4.140 -14.712
  152   1HG   GLU  19          2HG       GLU  19  10.576   2.094 -15.804
  153   2HG   GLU  19          1HG       GLU  19   8.931   2.593 -16.205
  154    H    LYS  20           H        LYS  20  11.274   3.335 -12.409
  155    HA   LYS  20           HA       LYS  20  11.123   0.375 -12.410
  156   1HB   LYS  20          2HB       LYS  20  13.247   2.099 -12.651
  157   2HB   LYS  20          1HB       LYS  20  13.338   1.666 -10.945
  158   1HG   LYS  20          2HG       LYS  20  14.613  -0.013 -11.998
  159   2HG   LYS  20          1HG       LYS  20  13.040  -0.779 -11.776
  160   1HD   LYS  20          2HD       LYS  20  13.424  -1.259 -14.014
  161   2HD   LYS  20          1HD       LYS  20  12.556   0.269 -14.159
  162   1HE   LYS  20          2HE       LYS  20  14.704   1.482 -14.277
  163   2HE   LYS  20          1HE       LYS  20  15.574  -0.045 -14.140
  164   1HZ   LYS  20          1HZ       LYS  20  13.845  -0.491 -16.192
  165   2HZ   LYS  20          3HZ       LYS  20  14.288   1.130 -16.424
  166   3HZ   LYS  20          2HZ       LYS  20  15.483  -0.072 -16.353
  167    H    PHE  21           H        PHE  21   9.291   2.120 -10.753
  168    HA   PHE  21           HA       PHE  21   9.921   0.832  -8.136
  169   1HB   PHE  21          2HB       PHE  21   8.898   3.660  -8.509
  170   2HB   PHE  21          1HB       PHE  21   9.175   2.855  -6.963
  171    HD1  PHE  21           HD1      PHE  21  11.497   2.120  -6.342
  172    HD2  PHE  21           HD2      PHE  21  10.708   4.611  -9.748
  173    HE1  PHE  21           HE1      PHE  21  13.887   2.777  -6.416
  174    HE2  PHE  21           HE2      PHE  21  13.097   5.271  -9.822
  175    HZ   PHE  21           HZ       PHE  21  14.688   4.353  -8.154
  176    H    ILE  22           H        ILE  22   7.687   1.034 -10.609
  177    HA   ILE  22           HA       ILE  22   5.669  -0.402  -9.207
  178    HB   ILE  22           HB       ILE  22   5.249   1.754  -8.078
  179   1HG1  ILE  22          2HG1      ILE  22   3.046   1.350 -10.107
  180   2HG1  ILE  22          1HG1      ILE  22   3.350   0.182  -8.820
  181   1HG2  ILE  22          3HG2      ILE  22   6.098   3.008 -10.240
  182   2HG2  ILE  22          2HG2      ILE  22   4.389   2.983 -10.671
  183   3HG2  ILE  22          1HG2      ILE  22   4.912   3.766  -9.179
  184   1HD1  ILE  22          1HD1      ILE  22   3.187   2.114  -7.180
  185   2HD1  ILE  22          3HD1      ILE  22   2.604   3.100  -8.522
  186   3HD1  ILE  22          2HD1      ILE  22   1.679   1.695  -7.993
  187    H    HIS  23           H        HIS  23   3.989  -1.070 -10.667
  188    HA   HIS  23           HA       HIS  23   4.003   0.044 -13.405
  189   1HB   HIS  23          2HB       HIS  23   5.746  -1.896 -13.097
  190   2HB   HIS  23          1HB       HIS  23   4.316  -2.929 -13.118
  191    HD1  HIS  23           HD1      HIS  23   3.407  -3.518 -15.374
  192    HD2  HIS  23           HD2      HIS  23   5.884  -0.171 -15.534
  193    HE1  HIS  23           HE1      HIS  23   3.640  -2.918 -17.822
  194    H    TRP  24           H        TRP  24   2.171  -0.746 -14.675
  195    HA   TRP  24           HA       TRP  24  -0.172  -1.313 -12.986
  196   1HB   TRP  24          2HB       TRP  24   0.244  -0.600 -15.884
  197   2HB   TRP  24          1HB       TRP  24  -1.312  -1.212 -15.329
  198    HD1  TRP  24           HD1      TRP  24   1.089   1.248 -13.550
  199    HE1  TRP  24           HE1      TRP  24  -0.230   3.403 -13.024
  200    HE3  TRP  24           HE3      TRP  24  -3.376   0.113 -15.751
  201    HZ2  TRP  24           HZ2      TRP  24  -2.833   4.499 -13.479
  202    HZ3  TRP  24           HZ3      TRP  24  -5.255   1.728 -15.691
  203    HH2  TRP  24           HH2      TRP  24  -4.989   3.917 -14.559
  204    H    SER  25           H        SER  25  -1.680  -3.083 -13.619
  205    HA   SER  25           HA       SER  25  -0.179  -5.554 -14.166
  206   1HB   SER  25          2HB       SER  25  -2.137  -6.707 -13.434
  207   2HB   SER  25          1HB       SER  25  -1.973  -5.312 -12.370
  208    HG   SER  25           HG       SER  25  -3.727  -5.708 -14.551
  209    H    THR  26           H        THR  26  -2.057  -3.306 -15.979
  210    HA   THR  26           HA       THR  26  -2.722  -3.308 -18.220
  211    HB   THR  26           HB       THR  26  -1.264  -5.939 -18.506
  212    HG1  THR  26           HG1      THR  26   0.527  -4.922 -18.187
  213   1HG2  THR  26          3HG2      THR  26  -2.615  -5.126 -20.418
  214   2HG2  THR  26          2HG2      THR  26  -1.713  -3.611 -20.393
  215   3HG2  THR  26          1HG2      THR  26  -0.890  -5.120 -20.787
  216    H    SER  27           H        SER  27  -4.509  -4.077 -19.363
  217    HA   SER  27           HA       SER  27  -6.517  -5.252 -19.676
  218   1HB   SER  27          2HB       SER  27  -4.902  -7.080 -20.243
  219   2HB   SER  27          1HB       SER  27  -4.936  -7.586 -18.557
  220    HG   SER  27           HG       SER  27  -6.530  -8.766 -19.358
  221    H    GLY  28           H        GLY  28  -5.928  -3.931 -17.089
  222   1HA   GLY  28          2HA       GLY  28  -8.220  -4.518 -15.614
  223   2HA   GLY  28          1HA       GLY  28  -6.968  -5.566 -14.941
  224    H    GLU  29           H        GLU  29  -8.257  -3.320 -13.585
  225    HA   GLU  29           HA       GLU  29  -6.163  -1.232 -13.505
  226   1HB   GLU  29          2HB       GLU  29  -8.747  -0.857 -13.369
  227   2HB   GLU  29          1HB       GLU  29  -8.552  -1.320 -11.679
  228   1HG   GLU  29          2HG       GLU  29  -7.409   0.589 -11.144
  229   2HG   GLU  29          1HG       GLU  29  -6.597   0.663 -12.709
  230    H    SER  30           H        SER  30  -4.665  -3.059 -12.710
  231    HA   SER  30           HA       SER  30  -4.828  -3.184  -9.724
  232   1HB   SER  30          2HB       SER  30  -4.315  -5.326 -11.729
  233   2HB   SER  30          1HB       SER  30  -3.355  -5.369 -10.254
  234    HG   SER  30           HG       SER  30  -6.128  -5.595 -10.617
  235    H    ILE  31           H        ILE  31  -2.662  -3.414  -8.691
  236    HA   ILE  31           HA       ILE  31  -0.486  -2.171 -10.333
  237    HB   ILE  31           HB       ILE  31  -1.082  -1.648  -7.403
  238   1HG1  ILE  31          2HG1      ILE  31  -1.490   0.212  -9.761
  239   2HG1  ILE  31          1HG1      ILE  31  -2.789  -0.741  -9.045
  240   1HG2  ILE  31          1HG2      ILE  31   1.311  -1.444  -8.204
  241   2HG2  ILE  31          3HG2      ILE  31   0.764  -0.174  -9.297
  242   3HG2  ILE  31          2HG2      ILE  31   0.623   0.042  -7.554
  243   1HD1  ILE  31          2HD1      ILE  31  -1.119   0.857  -7.171
  244   2HD1  ILE  31          1HD1      ILE  31  -2.215   1.757  -8.219
  245   3HD1  ILE  31          3HD1      ILE  31  -2.850   0.524  -7.129
  246    H    VAL  32           H        VAL  32   1.671  -2.849  -9.737
  247    HA   VAL  32           HA       VAL  32   1.765  -5.220  -7.916
  248    HB   VAL  32           HB       VAL  32   3.289  -4.966 -10.527
  249   1HG1  VAL  32          1HG1      VAL  32   2.928  -7.193  -8.501
  250   2HG1  VAL  32          3HG1      VAL  32   3.649  -7.426 -10.095
  251   3HG1  VAL  32          2HG1      VAL  32   4.431  -6.369  -8.919
  252   1HG2  VAL  32          1HG2      VAL  32   0.610  -6.095  -9.845
  253   2HG2  VAL  32          3HG2      VAL  32   1.170  -5.370 -11.352
  254   3HG2  VAL  32          2HG2      VAL  32   1.620  -7.027 -10.949
  255    H    VAL  33           H        VAL  33   3.268  -4.969  -6.353
  256    HA   VAL  33           HA       VAL  33   5.383  -2.895  -6.748
  257    HB   VAL  33           HB       VAL  33   4.230  -4.048  -4.183
  258   1HG1  VAL  33          1HG1      VAL  33   6.457  -2.101  -4.756
  259   2HG1  VAL  33          3HG1      VAL  33   5.522  -1.959  -3.269
  260   3HG1  VAL  33          2HG1      VAL  33   6.426  -3.435  -3.605
  261   1HG2  VAL  33          3HG2      VAL  33   2.770  -2.482  -5.559
  262   2HG2  VAL  33          2HG2      VAL  33   3.127  -1.930  -3.922
  263   3HG2  VAL  33          1HG2      VAL  33   3.996  -1.241  -5.293
  264    HA   PRO  34           HA       PRO  34   7.624  -6.868  -6.772
  265   1HB   PRO  34          2HB       PRO  34   9.735  -5.989  -8.292
  266   2HB   PRO  34          1HB       PRO  34   8.247  -6.660  -8.983
  267   1HG   PRO  34          2HG       PRO  34   9.152  -3.825  -8.869
  268   2HG   PRO  34          1HG       PRO  34   8.075  -4.616 -10.032
  269   1HD   PRO  34          2HD       PRO  34   7.267  -2.964  -7.894
  270   2HD   PRO  34          1HD       PRO  34   6.216  -4.028  -8.848
  271    H    ASN  35           H        ASN  35   8.590  -3.553  -6.119
  272    HA   ASN  35           HA       ASN  35  10.498  -4.568  -4.056
  273   1HB   ASN  35          2HB       ASN  35  10.934  -2.617  -6.252
  274   2HB   ASN  35          1HB       ASN  35  11.569  -2.148  -4.675
  275   1HD2  ASN  35          2HD2      ASN  35  13.096  -5.537  -6.451
  276   2HD2  ASN  35          1HD2      ASN  35  11.509  -5.061  -6.819
  277    H    ARG  36           H        ARG  36   8.924  -4.249  -2.397
  278    HA   ARG  36           HA       ARG  36   7.623  -1.635  -2.125
  279   1HB   ARG  36          2HB       ARG  36   6.290  -2.621  -0.500
  280   2HB   ARG  36          1HB       ARG  36   6.753  -4.049  -1.413
  281   1HG   ARG  36          2HG       ARG  36   8.540  -4.521   0.223
  282   2HG   ARG  36          1HG       ARG  36   8.099  -3.081   1.132
  283   1HD   ARG  36          2HD       ARG  36   5.681  -4.416   0.858
  284   2HD   ARG  36          1HD       ARG  36   6.839  -5.720   1.120
  285    HE   ARG  36           HE       ARG  36   6.795  -3.387   2.976
  286   1HH1  ARG  36          1HH2      ARG  36   8.544  -5.862   3.321
  287   2HH1  ARG  36          2HH2      ARG  36   7.646  -6.742   4.513
  288   1HH2  ARG  36          2HH1      ARG  36   4.741  -4.899   4.071
  289   2HH2  ARG  36          1HH1      ARG  36   5.494  -6.195   4.940
  290    H    GLU  37           H        GLU  37  10.473  -3.223  -0.947
  291    HA   GLU  37           HA       GLU  37  10.932  -1.482   1.329
  292   1HB   GLU  37          2HB       GLU  37  11.920  -3.784   1.054
  293   2HB   GLU  37          1HB       GLU  37  12.956  -3.132  -0.215
  294   1HG   GLU  37          2HG       GLU  37  14.416  -2.677   1.460
  295   2HG   GLU  37          1HG       GLU  37  13.350  -1.323   1.832
  296    H    ARG  38           H        ARG  38  11.957  -1.499  -2.065
  297    HA   ARG  38           HA       ARG  38  13.644   0.885  -1.672
  298   1HB   ARG  38          2HB       ARG  38  13.686  -1.225  -3.468
  299   2HB   ARG  38          1HB       ARG  38  13.040   0.095  -4.440
  300   1HG   ARG  38          2HG       ARG  38  14.947   1.449  -4.082
  301   2HG   ARG  38          1HG       ARG  38  15.484   0.474  -2.712
  302   1HD   ARG  38          2HD       ARG  38  15.748  -1.460  -4.346
  303   2HD   ARG  38          1HD       ARG  38  15.510  -0.288  -5.641
  304    HE   ARG  38           HE       ARG  38  17.863  -0.432  -3.851
  305   1HH1  ARG  38          1HH2      ARG  38  17.462   2.409  -4.119
  306   2HH1  ARG  38          2HH2      ARG  38  18.181   2.801  -5.646
  307   1HH2  ARG  38          2HH1      ARG  38  18.194  -0.473  -6.784
  308   2HH2  ARG  38          1HH1      ARG  38  18.597   1.171  -7.151
  309    H    PHE  39           H        PHE  39  10.455   0.067  -2.886
  310    HA   PHE  39           HA       PHE  39   9.945   2.577  -4.215
  311   1HB   PHE  39          2HB       PHE  39   8.554   0.761  -4.860
  312   2HB   PHE  39          1HB       PHE  39   8.204   0.324  -3.192
  313    HD1  PHE  39           HD2      PHE  39   6.605   1.619  -1.855
  314    HD2  PHE  39           HD1      PHE  39   7.360   2.579  -5.970
  315    HE1  PHE  39           HE2      PHE  39   4.558   3.018  -1.903
  316    HE2  PHE  39           HE1      PHE  39   5.313   3.974  -6.021
  317    HZ   PHE  39           HZ       PHE  39   3.914   4.192  -3.986
  318    H    VAL  40           H        VAL  40   8.895   1.309  -1.032
  319    HA   VAL  40           HA       VAL  40   7.589   3.623  -0.110
  320    HB   VAL  40           HB       VAL  40   9.180   1.607   1.509
  321   1HG1  VAL  40          2HG1      VAL  40   7.289   3.825   2.245
  322   2HG1  VAL  40          1HG1      VAL  40   7.325   2.358   3.223
  323   3HG1  VAL  40          3HG1      VAL  40   8.786   3.330   3.036
  324   1HG2  VAL  40          2HG2      VAL  40   7.205   0.891  -0.053
  325   2HG2  VAL  40          1HG2      VAL  40   7.222   0.317   1.615
  326   3HG2  VAL  40          3HG2      VAL  40   6.190   1.672   1.159
  327    H    GLN  41           H        GLN  41  11.049   2.782   0.167
  328    HA   GLN  41           HA       GLN  41  11.687   5.183   1.662
  329   1HB   GLN  41          2HB       GLN  41  12.991   2.954   1.567
  330   2HB   GLN  41          1HB       GLN  41  13.687   3.591   0.074
  331   1HG   GLN  41          2HG       GLN  41  14.433   5.611   1.285
  332   2HG   GLN  41          1HG       GLN  41  13.753   4.964   2.778
  333   1HE2  GLN  41          2HE2      GLN  41  17.215   3.342   1.281
  334   2HE2  GLN  41          1HE2      GLN  41  16.234   4.295   0.276
  335    H    GLU  42           H        GLU  42  11.394   4.496  -1.752
  336    HA   GLU  42           HA       GLU  42  12.578   7.191  -2.308
  337   1HB   GLU  42          2HB       GLU  42  12.567   4.706  -4.043
  338   2HB   GLU  42          1HB       GLU  42  13.124   6.292  -4.579
  339   1HG   GLU  42          2HG       GLU  42  14.267   5.282  -2.026
  340   2HG   GLU  42          1HG       GLU  42  14.784   4.459  -3.499
  341    H    VAL  43           H        VAL  43   9.679   6.283  -1.774
  342    HA   VAL  43           HA       VAL  43   8.543   7.829  -4.012
  343    HB   VAL  43           HB       VAL  43   7.517   5.032  -3.436
  344   1HG1  VAL  43          1HG1      VAL  43   6.610   7.333  -5.104
  345   2HG1  VAL  43          3HG1      VAL  43   6.446   5.720  -5.797
  346   3HG1  VAL  43          2HG1      VAL  43   5.658   6.107  -4.269
  347   1HG2  VAL  43          2HG2      VAL  43   9.174   6.135  -5.727
  348   2HG2  VAL  43          1HG2      VAL  43   9.643   4.864  -4.598
  349   3HG2  VAL  43          3HG2      VAL  43   8.355   4.574  -5.767
  350    H    LEU  44           H        LEU  44   7.913   6.076  -0.955
  351    HA   LEU  44           HA       LEU  44   5.309   7.164  -0.530
  352   1HB   LEU  44          2HB       LEU  44   6.507   5.234   0.712
  353   2HB   LEU  44          1HB       LEU  44   7.196   6.496   1.725
  354    HG   LEU  44           HG       LEU  44   4.915   7.304   2.257
  355   1HD1  LEU  44          2HD1      LEU  44   4.158   5.011   0.441
  356   2HD1  LEU  44          1HD1      LEU  44   3.046   5.616   1.668
  357   3HD1  LEU  44          3HD1      LEU  44   3.604   6.684   0.382
  358   1HD2  LEU  44          3HD2      LEU  44   6.095   5.560   3.640
  359   2HD2  LEU  44          2HD2      LEU  44   4.337   5.485   3.750
  360   3HD2  LEU  44          1HD2      LEU  44   5.207   4.326   2.745
  361    HA   PRO  45           HA       PRO  45   7.311  10.585   2.106
  362   1HB   PRO  45          2HB       PRO  45   9.958  11.172   1.720
  363   2HB   PRO  45          1HB       PRO  45   9.374  10.093   3.001
  364   1HG   PRO  45          2HG       PRO  45  10.730   9.412   0.439
  365   2HG   PRO  45          1HG       PRO  45  10.730   8.538   1.980
  366   1HD   PRO  45          2HD       PRO  45   9.201   7.859  -0.275
  367   2HD   PRO  45          1HD       PRO  45   8.939   7.274   1.375
  368    H    LYS  46           H        LYS  46   8.366   9.926  -1.169
  369    HA   LYS  46           HA       LYS  46   8.967  12.541  -2.062
  370   1HB   LYS  46          2HB       LYS  46   8.759  10.032  -3.235
  371   2HB   LYS  46          1HB       LYS  46   7.486  10.952  -4.035
  372   1HG   LYS  46          2HG       LYS  46   9.288  11.510  -5.381
  373   2HG   LYS  46          1HG       LYS  46   9.382  12.804  -4.188
  374   1HD   LYS  46          2HD       LYS  46  11.497  12.135  -3.770
  375   2HD   LYS  46          1HD       LYS  46  10.813  10.693  -3.022
  376   1HE   LYS  46          2HE       LYS  46  10.772   9.627  -5.310
  377   2HE   LYS  46          1HE       LYS  46  11.668  11.022  -5.910
  378   1HZ   LYS  46          2HZ       LYS  46  13.259  10.482  -3.980
  379   2HZ   LYS  46          1HZ       LYS  46  12.529   8.947  -4.004
  380   3HZ   LYS  46          3HZ       LYS  46  13.326   9.528  -5.383
  381    H    TYR  47           H        TYR  47   5.887  11.100  -1.275
  382    HA   TYR  47           HA       TYR  47   4.501  13.490  -2.414
  383   1HB   TYR  47          2HB       TYR  47   3.489  10.716  -1.741
  384   2HB   TYR  47          1HB       TYR  47   2.429  12.058  -2.178
  385    HD1  TYR  47           HD2      TYR  47   5.391  10.115  -3.377
  386    HD2  TYR  47           HD1      TYR  47   2.046  12.593  -4.440
  387    HE1  TYR  47           HE2      TYR  47   5.838   9.688  -5.778
  388    HE2  TYR  47           HE1      TYR  47   2.494  12.166  -6.842
  389    HH   TYR  47           HH       TYR  47   4.649  11.502  -8.220
  390    H    PHE  48           H        PHE  48   4.248  11.254   0.386
  391    HA   PHE  48           HA       PHE  48   2.940  13.392   1.953
  392   1HB   PHE  48          2HB       PHE  48   3.571  10.487   2.528
  393   2HB   PHE  48          1HB       PHE  48   2.858  11.568   3.725
  394    HD1  PHE  48           HD1      PHE  48   0.915  13.154   2.410
  395    HD2  PHE  48           HD2      PHE  48   1.985   9.073   1.594
  396    HE1  PHE  48           HE1      PHE  48  -1.322  12.765   1.407
  397    HE2  PHE  48           HE2      PHE  48  -0.249   8.687   0.592
  398    HZ   PHE  48           HZ       PHE  48  -1.902  10.532   0.499
  399    H    LYS  49           H        LYS  49   3.793  13.369   4.392
  400    HA   LYS  49           HA       LYS  49   6.736  13.858   4.242
  401   1HB   LYS  49          2HB       LYS  49   4.496  15.313   5.449
  402   2HB   LYS  49          1HB       LYS  49   5.815  15.038   6.583
  403   1HG   LYS  49          2HG       LYS  49   6.213  17.135   5.423
  404   2HG   LYS  49          1HG       LYS  49   7.406  15.953   4.884
  405   1HD   LYS  49          2HD       LYS  49   5.490  15.462   3.066
  406   2HD   LYS  49          1HD       LYS  49   5.123  17.155   3.397
  407   1HE   LYS  49          2HE       LYS  49   7.665  17.553   3.091
  408   2HE   LYS  49          1HE       LYS  49   7.679  15.962   2.330
  409   1HZ   LYS  49          1HZ       LYS  49   5.809  16.820   0.903
  410   2HZ   LYS  49          3HZ       LYS  49   6.172  18.369   1.489
  411   3HZ   LYS  49          2HZ       LYS  49   7.338  17.502   0.609
  412    H    HIS  50           H        HIS  50   4.507  13.251   6.958
  413    HA   HIS  50           HA       HIS  50   6.412  11.165   7.914
  414   1HB   HIS  50          2HB       HIS  50   4.414  12.933   9.332
  415   2HB   HIS  50          1HB       HIS  50   5.088  11.500  10.106
  416    HD1  HIS  50           HD1      HIS  50   5.669  14.911  10.198
  417    HD2  HIS  50           HD2      HIS  50   8.208  11.691   9.442
  418    HE1  HIS  50           HE1      HIS  50   8.022  15.733  10.649
  419    H    SER  51           H        SER  51   5.380   9.705   6.288
  420    HA   SER  51           HA       SER  51   2.822   8.572   7.350
  421   1HB   SER  51          2HB       SER  51   3.773   8.811   4.485
  422   2HB   SER  51          1HB       SER  51   2.397   7.829   4.976
  423    HG   SER  51           HG       SER  51   1.453   9.730   5.826
  424    H    ASN  52           H        ASN  52   2.657   6.200   6.220
  425    HA   ASN  52           HA       ASN  52   5.257   4.820   6.165
  426   1HB   ASN  52          2HB       ASN  52   3.792   5.018   8.591
  427   2HB   ASN  52          1HB       ASN  52   3.558   3.372   8.011
  428   1HD2  ASN  52          2HD2      ASN  52   7.057   4.335   9.691
  429   2HD2  ASN  52          1HD2      ASN  52   5.665   5.299   9.805
  430    H    PHE  53           H        PHE  53   4.931   2.471   5.560
  431    HA   PHE  53           HA       PHE  53   3.200   2.155   3.366
  432   1HB   PHE  53          2HB       PHE  53   3.687  -0.235   3.499
  433   2HB   PHE  53          1HB       PHE  53   5.149   0.681   3.851
  434    HD1  PHE  53           HD1      PHE  53   5.951   0.891   6.228
  435    HD2  PHE  53           HD2      PHE  53   2.622  -1.599   5.144
  436    HE1  PHE  53           HE1      PHE  53   6.109  -0.274   8.414
  437    HE2  PHE  53           HE2      PHE  53   2.778  -2.761   7.327
  438    HZ   PHE  53           HZ       PHE  53   4.521  -2.100   8.962
  439    H    ALA  54           H        ALA  54   2.649   1.249   6.761
  440    HA   ALA  54           HA       ALA  54   0.165  -0.086   6.432
  441   1HB   ALA  54          2HB       ALA  54   1.649   0.197   8.556
  442   2HB   ALA  54          1HB       ALA  54   0.730   1.679   8.809
  443   3HB   ALA  54          3HB       ALA  54  -0.100   0.123   8.761
  444    H    SER  55           H        SER  55   0.888   3.379   6.838
  445    HA   SER  55           HA       SER  55  -1.835   4.270   6.978
  446   1HB   SER  55          2HB       SER  55   0.531   5.528   7.277
  447   2HB   SER  55          1HB       SER  55   0.177   5.997   5.617
  448    HG   SER  55           HG       SER  55  -1.143   6.616   7.994
  449    H    PHE  56           H        PHE  56   0.334   3.567   4.281
  450    HA   PHE  56           HA       PHE  56  -1.290   4.650   2.185
  451   1HB   PHE  56          2HB       PHE  56   1.166   3.745   2.144
  452   2HB   PHE  56          1HB       PHE  56   0.406   2.188   1.824
  453    HD1  PHE  56           HD2      PHE  56  -1.276   2.052  -0.122
  454    HD2  PHE  56           HD1      PHE  56   1.469   5.309   0.412
  455    HE1  PHE  56           HE2      PHE  56  -1.550   2.673  -2.507
  456    HE2  PHE  56           HE1      PHE  56   1.198   5.930  -1.973
  457    HZ   PHE  56           HZ       PHE  56  -0.312   4.611  -3.433
  458    H    VAL  57           H        VAL  57  -1.313   1.569   3.898
  459    HA   VAL  57           HA       VAL  57  -3.153   0.222   2.130
  460    HB   VAL  57           HB       VAL  57  -2.746  -0.290   5.089
  461   1HG1  VAL  57          1HG1      VAL  57  -4.504  -1.438   3.281
  462   2HG1  VAL  57          3HG1      VAL  57  -3.129  -2.543   3.241
  463   3HG1  VAL  57          2HG1      VAL  57  -3.934  -2.192   4.769
  464   1HG2  VAL  57          2HG2      VAL  57  -1.056  -0.948   2.687
  465   2HG2  VAL  57          1HG2      VAL  57  -0.549  -0.399   4.285
  466   3HG2  VAL  57          3HG2      VAL  57  -1.098  -2.060   4.055
  467    H    ARG  58           H        ARG  58  -3.584   2.040   5.171
  468    HA   ARG  58           HA       ARG  58  -6.394   1.647   5.421
  469   1HB   ARG  58          2HB       ARG  58  -4.494   3.779   6.385
  470   2HB   ARG  58          1HB       ARG  58  -6.228   3.927   6.675
  471   1HG   ARG  58          2HG       ARG  58  -4.798   1.367   7.354
  472   2HG   ARG  58          1HG       ARG  58  -4.750   2.732   8.470
  473   1HD   ARG  58          2HD       ARG  58  -6.695   1.841   9.258
  474   2HD   ARG  58          1HD       ARG  58  -7.411   2.663   7.872
  475    HE   ARG  58           HE       ARG  58  -7.547   0.548   6.731
  476   1HH1  ARG  58          2HH1      ARG  58  -5.193  -0.941   7.353
  477   2HH1  ARG  58          1HH1      ARG  58  -5.689  -2.070   8.570
  478   1HH2  ARG  58          1HH2      ARG  58  -8.581  -0.334   9.373
  479   2HH2  ARG  58          2HH2      ARG  58  -7.608  -1.725   9.715
  480    H    GLN  59           H        GLN  59  -4.519   3.974   3.536
  481    HA   GLN  59           HA       GLN  59  -6.704   5.699   2.826
  482   1HB   GLN  59          2HB       GLN  59  -4.147   5.078   1.317
  483   2HB   GLN  59          1HB       GLN  59  -5.225   6.432   0.975
  484   1HG   GLN  59          2HG       GLN  59  -4.166   6.082   3.760
  485   2HG   GLN  59          1HG       GLN  59  -3.117   6.780   2.524
  486   1HE2  GLN  59          2HE2      GLN  59  -6.293   8.931   3.930
  487   2HE2  GLN  59          1HE2      GLN  59  -6.112   7.297   4.356
  488    H    LEU  60           H        LEU  60  -5.152   3.037   1.000
  489    HA   LEU  60           HA       LEU  60  -6.840   3.038  -1.248
  490   1HB   LEU  60          2HB       LEU  60  -5.563   0.657   0.122
  491   2HB   LEU  60          1HB       LEU  60  -6.209   0.656  -1.517
  492    HG   LEU  60           HG       LEU  60  -4.100   2.630  -0.637
  493   1HD1  LEU  60          3HD1      LEU  60  -3.777  -0.162  -1.767
  494   2HD1  LEU  60          2HD1      LEU  60  -2.502   1.055  -1.824
  495   3HD1  LEU  60          1HD1      LEU  60  -3.098   0.475  -0.269
  496   1HD2  LEU  60          3HD2      LEU  60  -5.423   3.083  -2.704
  497   2HD2  LEU  60          2HD2      LEU  60  -3.716   2.798  -3.051
  498   3HD2  LEU  60          1HD2      LEU  60  -4.902   1.526  -3.348
  499    H    ASN  61           H        ASN  61  -7.322   1.302   1.838
  500    HA   ASN  61           HA       ASN  61  -9.783   0.054   0.971
  501   1HB   ASN  61          2HB       ASN  61  -8.059  -0.256   3.116
  502   2HB   ASN  61          1HB       ASN  61  -9.491   0.442   3.870
  503   1HD2  ASN  61          2HD2      ASN  61  -9.579  -3.394   2.584
  504   2HD2  ASN  61          1HD2      ASN  61  -8.171  -2.451   2.482
  505    H    MET  62           H        MET  62  -9.013   3.176   2.342
  506    HA   MET  62           HA       MET  62 -11.821   3.685   3.088
  507   1HB   MET  62          2HB       MET  62  -9.354   5.437   3.231
  508   2HB   MET  62          1HB       MET  62 -10.948   5.901   3.823
  509   1HG   MET  62          2HG       MET  62  -9.740   3.315   4.748
  510   2HG   MET  62          1HG       MET  62  -9.202   4.829   5.477
  511   1HE   MET  62          2HE       MET  62 -10.230   6.319   6.575
  512   2HE   MET  62          1HE       MET  62 -11.894   6.732   6.169
  513   3HE   MET  62          3HE       MET  62 -11.515   6.008   7.738
  514    H    TYR  63           H        TYR  63 -10.403   3.638   0.136
  515    HA   TYR  63           HA       TYR  63 -11.951   6.038  -0.750
  516   1HB   TYR  63          2HB       TYR  63  -9.276   5.006  -1.651
  517   2HB   TYR  63          1HB       TYR  63 -10.266   6.008  -2.718
  518    HD1  TYR  63           HD2      TYR  63 -11.463   8.046  -1.282
  519    HD2  TYR  63           HD1      TYR  63  -7.684   6.193  -0.443
  520    HE1  TYR  63           HE2      TYR  63 -10.747  10.070  -0.041
  521    HE2  TYR  63           HE1      TYR  63  -6.968   8.216   0.805
  522    HH   TYR  63           HH       TYR  63  -8.275  11.106   0.519
  523    H    GLY  64           H        GLY  64 -10.859   2.765  -1.770
  524   1HA   GLY  64          2HA       GLY  64 -13.373   1.999  -2.790
  525   2HA   GLY  64          1HA       GLY  64 -12.512   2.742  -4.132
  526    H    TRP  65           H        TRP  65  -9.860   1.773  -3.271
  527    HA   TRP  65           HA       TRP  65  -9.723  -0.661  -4.696
  528   1HB   TRP  65          2HB       TRP  65  -7.900   0.378  -2.507
  529   2HB   TRP  65          1HB       TRP  65  -7.506  -0.970  -3.575
  530    HD1  TRP  65           HD1      TRP  65  -8.126   2.808  -3.621
  531    HE1  TRP  65           HE1      TRP  65  -7.127   3.778  -5.791
  532    HE3  TRP  65           HE3      TRP  65  -6.791  -1.515  -5.988
  533    HZ2  TRP  65           HZ2      TRP  65  -5.922   2.841  -8.213
  534    HZ3  TRP  65           HZ3      TRP  65  -5.721  -1.449  -8.223
  535    HH2  TRP  65           HH2      TRP  65  -5.285   0.723  -9.338
  536    H    HIS  66           H        HIS  66  -9.610  -2.882  -4.022
  537    HA   HIS  66           HA       HIS  66 -10.684  -3.352  -1.278
  538   1HB   HIS  66          2HB       HIS  66 -11.229  -4.896  -3.821
  539   2HB   HIS  66          1HB       HIS  66 -11.775  -5.397  -2.222
  540    HD1  HIS  66           HD1      HIS  66 -13.839  -4.258  -1.274
  541    HD2  HIS  66           HD2      HIS  66 -12.468  -2.431  -4.760
  542    HE1  HIS  66           HE1      HIS  66 -15.618  -2.589  -1.954
  543    H    LYS  67           H        LYS  67  -7.894  -3.564  -2.790
  544    HA   LYS  67           HA       LYS  67  -6.012  -4.997  -2.730
  545   1HB   LYS  67          2HB       LYS  67  -6.741  -4.207  -0.241
  546   2HB   LYS  67          1HB       LYS  67  -6.808  -5.957  -0.038
  547   1HG   LYS  67          2HG       LYS  67  -4.570  -5.864   0.283
  548   2HG   LYS  67          1HG       LYS  67  -4.447  -5.588  -1.453
  549   1HD   LYS  67          2HD       LYS  67  -3.817  -3.438  -1.172
  550   2HD   LYS  67          1HD       LYS  67  -5.094  -3.133   0.005
  551   1HE   LYS  67          2HE       LYS  67  -3.769  -3.789   1.813
  552   2HE   LYS  67          1HE       LYS  67  -2.709  -4.777   0.807
  553   1HZ   LYS  67          3HZ       LYS  67  -2.830  -1.878   0.345
  554   2HZ   LYS  67          2HZ       LYS  67  -1.922  -2.465   1.657
  555   3HZ   LYS  67          1HZ       LYS  67  -1.552  -2.959   0.076
  556    H    VAL  68           H        VAL  68  -5.611  -7.440  -1.319
  557    HA   VAL  68           HA       VAL  68  -6.938  -9.312  -3.117
  558    HB   VAL  68           HB       VAL  68  -5.207  -9.845  -0.675
  559   1HG1  VAL  68          1HG1      VAL  68  -6.115 -11.577  -2.989
  560   2HG1  VAL  68          3HG1      VAL  68  -4.796 -12.021  -1.908
  561   3HG1  VAL  68          2HG1      VAL  68  -6.430 -11.834  -1.273
  562   1HG2  VAL  68          2HG2      VAL  68  -4.501  -9.642  -3.620
  563   2HG2  VAL  68          1HG2      VAL  68  -4.037  -8.491  -2.366
  564   3HG2  VAL  68          3HG2      VAL  68  -3.392 -10.133  -2.341
  565    H    GLN  69           H        GLN  69  -8.169 -11.239  -2.185
  566    HA   GLN  69           HA       GLN  69  -9.996 -10.261  -0.040
  567   1HB   GLN  69          2HB       GLN  69 -10.332 -12.238  -2.298
  568   2HB   GLN  69          1HB       GLN  69 -11.477 -12.154  -0.960
  569   1HG   GLN  69          2HG       GLN  69 -11.888  -9.777  -1.432
  570   2HG   GLN  69          1HG       GLN  69 -10.710  -9.822  -2.743
  571   1HE2  GLN  69          2HE2      GLN  69 -12.909 -12.118  -4.667
  572   2HE2  GLN  69          1HE2      GLN  69 -11.310 -12.147  -4.097
  573    H    ASP  70           H        ASP  70  -7.569 -11.256   0.855
  574    HA   ASP  70           HA       ASP  70  -6.523 -12.937   2.120
  575   1HB   ASP  70          2HB       ASP  70  -7.972 -13.692   4.021
  576   2HB   ASP  70          1HB       ASP  70  -7.971 -11.948   3.774
  577    H    VAL  71           H        VAL  71  -6.797 -14.164  -0.180
  578    HA   VAL  71           HA       VAL  71  -7.478 -16.932   0.578
  579    HB   VAL  71           HB       VAL  71  -8.726 -17.226  -1.631
  580   1HG1  VAL  71          1HG1      VAL  71  -9.950 -15.443   0.494
  581   2HG1  VAL  71          3HG1      VAL  71 -10.852 -16.405  -0.675
  582   3HG1  VAL  71          2HG1      VAL  71  -9.864 -17.202   0.549
  583   1HG2  VAL  71          2HG2      VAL  71  -7.875 -14.693  -2.165
  584   2HG2  VAL  71          1HG2      VAL  71  -9.288 -15.423  -2.928
  585   3HG2  VAL  71          3HG2      VAL  71  -9.488 -14.357  -1.537
  586    H    LYS  72           H        LYS  72  -6.031 -18.338  -0.343
  587    HA   LYS  72           HA       LYS  72  -4.181 -19.071  -1.587
  588   1HB   LYS  72          2HB       LYS  72  -5.958 -18.166  -3.423
  589   2HB   LYS  72          1HB       LYS  72  -4.615 -17.067  -3.740
  590   1HG   LYS  72          2HG       LYS  72  -3.154 -18.809  -4.313
  591   2HG   LYS  72          1HG       LYS  72  -4.118 -20.022  -3.471
  592   1HD   LYS  72          2HD       LYS  72  -4.452 -20.300  -5.861
  593   2HD   LYS  72          1HD       LYS  72  -5.939 -19.664  -5.157
  594   1HE   LYS  72          2HE       LYS  72  -5.079 -17.339  -5.760
  595   2HE   LYS  72          1HE       LYS  72  -3.835 -18.148  -6.715
  596   1HZ   LYS  72          2HZ       LYS  72  -6.661 -18.884  -7.073
  597   2HZ   LYS  72          1HZ       LYS  72  -6.059 -17.482  -7.819
  598   3HZ   LYS  72          3HZ       LYS  72  -5.374 -18.990  -8.177
  599    H    SER  73           H        SER  73  -3.766 -17.029   0.365
  600    HA   SER  73           HA       SER  73  -1.926 -15.069  -0.853
  601   1HB   SER  73          2HB       SER  73  -3.309 -14.231   0.936
  602   2HB   SER  73          1HB       SER  73  -2.828 -15.550   1.999
  603    HG   SER  73           HG       SER  73  -1.698 -13.222   1.803
  604    H    GLY  74           H        GLY  74  -1.495 -17.102   2.061
  605   1HA   GLY  74          2HA       GLY  74   0.293 -18.525   2.654
  606   2HA   GLY  74          1HA       GLY  74   0.835 -18.463   0.976
  607    H    SER  75           H        SER  75   0.275 -15.673   3.059
  608    HA   SER  75           HA       SER  75   1.730 -14.051   3.912
  609   1HB   SER  75          2HB       SER  75   4.066 -15.863   3.319
  610   2HB   SER  75          1HB       SER  75   3.909 -14.652   4.586
  611    HG   SER  75           HG       SER  75   3.353 -16.341   5.728
  612    H    MET  76           H        MET  76   1.477 -14.891   0.777
  613    HA   MET  76           HA       MET  76   2.245 -14.003  -1.248
  614   1HB   MET  76          2HB       MET  76   2.697 -11.615   0.563
  615   2HB   MET  76          1HB       MET  76   2.600 -11.564  -1.197
  616   1HG   MET  76          2HG       MET  76   0.303 -12.831  -0.762
  617   2HG   MET  76          1HG       MET  76   0.429 -12.032   0.806
  618   1HE   MET  76          1HE       MET  76  -1.123 -10.685   1.026
  619   2HE   MET  76          3HE       MET  76  -0.137  -9.216   1.058
  620   3HE   MET  76          2HE       MET  76  -1.615  -9.269   0.099
  621    H    LEU  77           H        LEU  77   4.298 -15.341   0.500
  622    HA   LEU  77           HA       LEU  77   6.738 -13.783  -0.077
  623   1HB   LEU  77          2HB       LEU  77   6.032 -16.068   1.654
  624   2HB   LEU  77          1HB       LEU  77   7.622 -16.192   0.901
  625    HG   LEU  77           HG       LEU  77   6.815 -13.588   2.146
  626   1HD1  LEU  77          2HD1      LEU  77   6.434 -15.697   3.696
  627   2HD1  LEU  77          1HD1      LEU  77   8.193 -15.669   3.807
  628   3HD1  LEU  77          3HD1      LEU  77   7.256 -14.268   4.325
  629   1HD2  LEU  77          1HD2      LEU  77   8.979 -14.195   0.780
  630   2HD2  LEU  77          3HD2      LEU  77   9.127 -13.230   2.249
  631   3HD2  LEU  77          2HD2      LEU  77   9.490 -14.955   2.287
  632    H    SER  78           H        SER  78   6.432 -17.313  -0.465
  633    HA   SER  78           HA       SER  78   7.075 -18.686  -2.256
  634   1HB   SER  78          2HB       SER  78   5.528 -16.448  -3.432
  635   2HB   SER  78          1HB       SER  78   6.510 -17.371  -4.565
  636    HG   SER  78           HG       SER  78   4.243 -18.097  -3.964
  637    H    ASN  79           H        ASN  79   9.168 -17.228  -1.146
  638    HA   ASN  79           HA       ASN  79  11.369 -16.563  -1.580
  639   1HB   ASN  79          2HB       ASN  79  10.643 -18.000  -4.136
  640   2HB   ASN  79          1HB       ASN  79  12.227 -17.257  -3.921
  641   1HD2  ASN  79          2HD2      ASN  79  13.404 -20.013  -2.101
  642   2HD2  ASN  79          1HD2      ASN  79  13.737 -18.721  -3.151
  643    H    ASN  80           H        ASN  80   9.923 -14.416  -1.561
  644    HA   ASN  80           HA       ASN  80  10.829 -12.843  -3.920
  645   1HB   ASN  80          2HB       ASN  80   8.023 -12.987  -2.809
  646   2HB   ASN  80          1HB       ASN  80   8.583 -11.583  -3.721
  647   1HD2  ASN  80          2HD2      ASN  80   8.208 -13.195  -6.828
  648   2HD2  ASN  80          1HD2      ASN  80   8.433 -11.744  -5.975
  649    H    ASP  81           H        ASP  81   9.412 -12.738  -0.649
  650    HA   ASP  81           HA       ASP  81   9.973 -11.420   1.202
  651   1HB   ASP  81          2HB       ASP  81  12.358 -11.827   0.123
  652   2HB   ASP  81          1HB       ASP  81  12.229 -10.111  -0.263
  653    H    SER  82           H        SER  82   8.715 -10.261  -1.579
  654    HA   SER  82           HA       SER  82   7.632  -7.913  -0.479
  655   1HB   SER  82          2HB       SER  82  10.337  -7.549  -1.651
  656   2HB   SER  82          1HB       SER  82   9.126  -6.364  -2.133
  657    HG   SER  82           HG       SER  82  10.307  -5.876  -0.162
  658    H    ARG  83           H        ARG  83   5.846  -8.703  -1.668
  659    HA   ARG  83           HA       ARG  83   5.774  -7.827  -4.469
  660   1HB   ARG  83          2HB       ARG  83   6.570 -10.377  -4.167
  661   2HB   ARG  83          1HB       ARG  83   4.826 -10.625  -4.076
  662   1HG   ARG  83          2HG       ARG  83   5.040  -8.892  -6.209
  663   2HG   ARG  83          1HG       ARG  83   6.496  -9.869  -6.386
  664   1HD   ARG  83          2HD       ARG  83   4.376 -11.656  -5.736
  665   2HD   ARG  83          1HD       ARG  83   3.782 -10.580  -7.002
  666    HE   ARG  83           HE       ARG  83   6.102 -12.420  -7.254
  667   1HH1  ARG  83          2HH1      ARG  83   7.122 -10.586  -8.981
  668   2HH1  ARG  83          1HH1      ARG  83   6.174 -10.642 -10.430
  669   1HH2  ARG  83          1HH2      ARG  83   3.504 -12.276  -8.940
  670   2HH2  ARG  83          2HH2      ARG  83   4.127 -11.599 -10.408
  671    H    TRP  84           H        TRP  84   4.113  -6.409  -3.774
  672    HA   TRP  84           HA       TRP  84   1.667  -7.664  -2.624
  673   1HB   TRP  84          2HB       TRP  84   2.531  -4.772  -2.880
  674   2HB   TRP  84          1HB       TRP  84   0.953  -5.273  -2.272
  675    HD1  TRP  84           HD1      TRP  84   4.654  -6.119  -1.545
  676    HE1  TRP  84           HE1      TRP  84   4.928  -6.396   1.000
  677    HE3  TRP  84           HE3      TRP  84  -0.172  -5.372  -0.055
  678    HZ2  TRP  84           HZ2      TRP  84   3.314  -6.310   3.363
  679    HZ3  TRP  84           HZ3      TRP  84  -0.776  -5.478   2.347
  680    HH2  TRP  84           HH2      TRP  84   0.958  -5.946   4.055
  681    H    GLU  85           H        GLU  85  -0.439  -6.713  -3.530
  682    HA   GLU  85           HA       GLU  85  -0.341  -5.794  -6.313
  683   1HB   GLU  85          2HB       GLU  85  -0.121  -8.403  -6.221
  684   2HB   GLU  85          1HB       GLU  85  -1.840  -8.358  -5.825
  685   1HG   GLU  85          2HG       GLU  85  -2.263  -7.018  -7.869
  686   2HG   GLU  85          1HG       GLU  85  -0.548  -7.121  -8.275
  687    H    PHE  86           H        PHE  86  -1.792  -4.147  -6.114
  688    HA   PHE  86           HA       PHE  86  -4.128  -4.427  -4.332
  689   1HB   PHE  86          2HB       PHE  86  -3.350  -2.109  -6.128
  690   2HB   PHE  86          1HB       PHE  86  -4.544  -2.076  -4.839
  691    HD1  PHE  86           HD1      PHE  86  -2.369  -4.071  -3.223
  692    HD2  PHE  86           HD2      PHE  86  -2.412  -0.095  -4.867
  693    HE1  PHE  86           HE1      PHE  86  -0.604  -3.387  -1.626
  694    HE2  PHE  86           HE2      PHE  86  -0.646   0.580  -3.267
  695    HZ   PHE  86           HZ       PHE  86   0.259  -1.064  -1.649
  696    H    GLU  87           H        GLU  87  -6.092  -5.084  -5.065
  697    HA   GLU  87           HA       GLU  87  -6.510  -5.179  -8.021
  698   1HB   GLU  87          2HB       GLU  87  -7.722  -6.775  -5.750
  699   2HB   GLU  87          1HB       GLU  87  -8.343  -6.830  -7.400
  700   1HG   GLU  87          2HG       GLU  87  -5.808  -7.282  -8.004
  701   2HG   GLU  87          1HG       GLU  87  -5.728  -7.827  -6.328
  702    H    ASN  88           H        ASN  88  -8.380  -4.285  -8.909
  703    HA   ASN  88           HA       ASN  88  -9.967  -2.541  -7.068
  704   1HB   ASN  88          2HB       ASN  88  -8.488  -1.730  -9.195
  705   2HB   ASN  88          1HB       ASN  88 -10.029  -2.037  -9.997
  706   1HD2  ASN  88          2HD2      ASN  88 -11.218   1.088  -8.920
  707   2HD2  ASN  88          1HD2      ASN  88 -11.067  -0.044 -10.176
  708    H    GLU  89           H        GLU  89 -12.261  -2.421  -7.458
  709    HA   GLU  89           HA       GLU  89 -13.333  -4.857  -8.797
  710   1HB   GLU  89          2HB       GLU  89 -13.829  -3.957  -6.279
  711   2HB   GLU  89          1HB       GLU  89 -15.142  -3.172  -7.155
  712   1HG   GLU  89          2HG       GLU  89 -16.101  -5.193  -7.804
  713   2HG   GLU  89          1HG       GLU  89 -14.577  -6.072  -7.680
  714    H    ARG  90           H        ARG  90 -13.000  -3.720 -10.877
  715    HA   ARG  90           HA       ARG  90 -14.805  -1.439 -11.411
  716   1HB   ARG  90          2HB       ARG  90 -12.699  -2.860 -13.052
  717   2HB   ARG  90          1HB       ARG  90 -13.747  -1.614 -13.728
  718   1HG   ARG  90          2HG       ARG  90 -12.870  -0.406 -11.418
  719   2HG   ARG  90          1HG       ARG  90 -11.456  -1.350 -11.887
  720   1HD   ARG  90          2HD       ARG  90 -11.144   0.673 -13.045
  721   2HD   ARG  90          1HD       ARG  90 -11.876  -0.373 -14.263
  722    HE   ARG  90           HE       ARG  90 -14.046   0.772 -13.771
  723   1HH1  ARG  90          2HH1      ARG  90 -13.714   2.162 -11.300
  724   2HH1  ARG  90          1HH1      ARG  90 -13.204   3.754 -11.752
  725   1HH2  ARG  90          1HH2      ARG  90 -12.252   2.829 -14.955
  726   2HH2  ARG  90          2HH2      ARG  90 -12.375   4.130 -13.820
  727    H    HIS  91           H        HIS  91 -15.675  -4.401 -10.962
  728    HA   HIS  91           HA       HIS  91 -17.537  -4.431 -13.271
  729   1HB   HIS  91          2HB       HIS  91 -17.205  -6.891 -13.529
  730   2HB   HIS  91          1HB       HIS  91 -15.756  -5.970 -13.928
  731    HD1  HIS  91           HD1      HIS  91 -16.817  -8.793 -11.980
  732    HD2  HIS  91           HD2      HIS  91 -13.945  -5.814 -11.474
  733    HE1  HIS  91           HE1      HIS  91 -15.192  -9.654 -10.237
  734    H    ALA  92           HN       ALA  92 -19.590  -5.040 -12.673
  735    HA   ALA  92           HA       ALA  92 -21.374  -5.609 -11.261
  736   1HB   ALA  92          1HB       ALA  92 -19.910  -7.775 -11.251
  737   2HB   ALA  92          3HB       ALA  92 -19.469  -7.264  -9.622
  738   3HB   ALA  92          2HB       ALA  92 -21.158  -7.586 -10.017
   
  No H/Q in entry =         738
  Start of MODEL          21
 Raw file had  756 H/Q atoms
  Start of MODEL   21
    1   1H    ALA   1          2H        ALA   1 -10.325  12.433  -8.113
    2   2H    ALA   1          1H        ALA   1 -11.815  12.562  -8.920
    3   3H    ALA   1          3H        ALA   1 -10.401  12.235  -9.797
    4    HA   ALA   1           HA       ALA   1  -9.529  14.386  -9.409
    5   1HB   ALA   1          2HB       ALA   1 -12.351  14.136 -10.361
    6   2HB   ALA   1          1HB       ALA   1 -11.699  15.759 -10.135
    7   3HB   ALA   1          3HB       ALA   1 -10.909  14.638 -11.244
    8    H    ARG   2           H        ARG   2 -12.545  13.848  -7.585
    9    HA   ARG   2           HA       ARG   2 -12.397  16.330  -6.112
   10   1HB   ARG   2          2HB       ARG   2 -13.995  13.822  -5.959
   11   2HB   ARG   2          1HB       ARG   2 -13.876  14.774  -4.479
   12   1HG   ARG   2          2HG       ARG   2 -14.571  16.795  -5.805
   13   2HG   ARG   2          1HG       ARG   2 -14.857  15.731  -7.182
   14   1HD   ARG   2          2HD       ARG   2 -16.314  14.372  -5.459
   15   2HD   ARG   2          1HD       ARG   2 -16.349  15.903  -4.583
   16    HE   ARG   2           HE       ARG   2 -17.018  16.287  -7.369
   17   1HH1  ARG   2          2HH1      ARG   2 -18.325  17.526  -4.897
   18   2HH1  ARG   2          1HH1      ARG   2 -19.916  16.848  -4.991
   19   1HH2  ARG   2          1HH2      ARG   2 -19.018  14.385  -7.261
   20   2HH2  ARG   2          2HH2      ARG   2 -20.308  15.069  -6.331
   21    HA   PRO   3           HA       PRO   3 -10.448  13.733  -2.678
   22   1HB   PRO   3          2HB       PRO   3  -9.482  11.225  -3.243
   23   2HB   PRO   3          1HB       PRO   3 -11.106  11.532  -2.601
   24   1HG   PRO   3          2HG       PRO   3 -10.284  10.803  -5.371
   25   2HG   PRO   3          1HG       PRO   3 -11.807  10.475  -4.529
   26   1HD   PRO   3          2HD       PRO   3 -11.408  12.483  -6.443
   27   2HD   PRO   3          1HD       PRO   3 -12.767  12.398  -5.308
   28    H    ALA   4           H        ALA   4  -8.525  14.764  -2.486
   29    HA   ALA   4           HA       ALA   4  -6.628  15.125  -4.580
   30   1HB   ALA   4          2HB       ALA   4  -6.487  15.432  -1.583
   31   2HB   ALA   4          1HB       ALA   4  -5.079  15.733  -2.600
   32   3HB   ALA   4          3HB       ALA   4  -6.542  16.693  -2.813
   33    H    PHE   5           H        PHE   5  -7.092  12.491  -2.343
   34    HA   PHE   5           HA       PHE   5  -4.412  11.404  -2.496
   35   1HB   PHE   5          2HB       PHE   5  -6.015  10.818  -0.685
   36   2HB   PHE   5          1HB       PHE   5  -7.047  10.022  -1.870
   37    HD1  PHE   5           HD2      PHE   5  -3.548   9.994  -0.536
   38    HD2  PHE   5           HD1      PHE   5  -6.710   7.768  -2.399
   39    HE1  PHE   5           HE2      PHE   5  -2.215   7.914  -0.312
   40    HE2  PHE   5           HE1      PHE   5  -5.379   5.689  -2.179
   41    HZ   PHE   5           HZ       PHE   5  -3.132   5.761  -1.135
   42    H    VAL   6           H        VAL   6  -7.487  10.559  -4.150
   43    HA   VAL   6           HA       VAL   6  -6.327   8.561  -5.841
   44    HB   VAL   6           HB       VAL   6  -8.700  10.340  -6.479
   45   1HG1  VAL   6          2HG1      VAL   6  -7.454   8.568  -8.114
   46   2HG1  VAL   6          1HG1      VAL   6  -8.565   7.484  -7.278
   47   3HG1  VAL   6          3HG1      VAL   6  -9.191   8.873  -8.165
   48   1HG2  VAL   6          1HG2      VAL   6  -8.420   7.854  -4.777
   49   2HG2  VAL   6          3HG2      VAL   6  -9.169   9.392  -4.343
   50   3HG2  VAL   6          2HG2      VAL   6  -9.962   8.319  -5.496
   51    H    ASN   7           H        ASN   7  -6.333  12.054  -5.962
   52    HA   ASN   7           HA       ASN   7  -5.662  12.346  -8.749
   53   1HB   ASN   7          2HB       ASN   7  -5.348  14.113  -6.324
   54   2HB   ASN   7          1HB       ASN   7  -4.772  14.613  -7.914
   55   1HD2  ASN   7          2HD2      ASN   7  -8.067  15.934  -8.278
   56   2HD2  ASN   7          1HD2      ASN   7  -6.444  16.327  -7.970
   57    H    LYS   8           H        LYS   8  -3.594  12.500  -5.805
   58    HA   LYS   8           HA       LYS   8  -1.143  12.704  -7.239
   59   1HB   LYS   8          2HB       LYS   8  -0.039  12.292  -5.164
   60   2HB   LYS   8          1HB       LYS   8  -1.518  13.148  -4.750
   61   1HG   LYS   8          2HG       LYS   8  -2.590  10.957  -4.241
   62   2HG   LYS   8          1HG       LYS   8  -1.053  10.156  -4.542
   63   1HD   LYS   8          2HD       LYS   8  -1.397  12.375  -2.511
   64   2HD   LYS   8          1HD       LYS   8  -1.545  10.666  -2.103
   65   1HE   LYS   8          2HE       LYS   8   0.897  11.692  -3.541
   66   2HE   LYS   8          1HE       LYS   8   0.771  11.803  -1.788
   67   1HZ   LYS   8          2HZ       LYS   8   0.349   9.279  -3.284
   68   2HZ   LYS   8          1HZ       LYS   8   1.858   9.742  -2.656
   69   3HZ   LYS   8          3HZ       LYS   8   0.552   9.473  -1.609
   70    H    LEU   9           H        LEU   9  -3.185   9.962  -6.580
   71    HA   LEU   9           HA       LEU   9  -1.205   7.902  -6.971
   72   1HB   LEU   9          2HB       LEU   9  -3.556   7.696  -5.939
   73   2HB   LEU   9          1HB       LEU   9  -4.143   7.622  -7.601
   74    HG   LEU   9           HG       LEU   9  -2.340   5.775  -7.918
   75   1HD1  LEU   9          1HD1      LEU   9  -2.432   6.155  -4.945
   76   2HD1  LEU   9          3HD1      LEU   9  -2.217   4.527  -5.587
   77   3HD1  LEU   9          2HD1      LEU   9  -1.054   5.790  -5.981
   78   1HD2  LEU   9          3HD2      LEU   9  -4.978   5.659  -7.576
   79   2HD2  LEU   9          2HD2      LEU   9  -4.003   4.189  -7.591
   80   3HD2  LEU   9          1HD2      LEU   9  -4.516   4.891  -6.057
   81    H    TRP  10           H        TRP  10  -3.345   9.673  -9.186
   82    HA   TRP  10           HA       TRP  10  -2.786   8.013 -11.488
   83   1HB   TRP  10          2HB       TRP  10  -3.768  10.880 -11.375
   84   2HB   TRP  10          1HB       TRP  10  -3.822   9.830 -12.788
   85    HD1  TRP  10           HD1      TRP  10  -6.115  11.080 -10.453
   86    HE1  TRP  10           HE1      TRP  10  -8.044   9.451  -9.936
   87    HE3  TRP  10           HE3      TRP  10  -4.113   6.741 -12.256
   88    HZ2  TRP  10           HZ2      TRP  10  -8.659   6.676 -10.247
   89    HZ3  TRP  10           HZ3      TRP  10  -5.392   4.622 -12.134
   90    HH2  TRP  10           HH2      TRP  10  -7.660   4.584 -11.133
   91    H    SER  11           H        SER  11  -0.765  10.199  -9.853
   92    HA   SER  11           HA       SER  11   0.777  10.720 -12.368
   93   1HB   SER  11          2HB       SER  11  -0.002  12.787 -11.323
   94   2HB   SER  11          1HB       SER  11   0.703  12.302  -9.785
   95    HG   SER  11           HG       SER  11   2.647  12.757 -10.522
   96    H    MET  12           H        MET  12   0.870   9.242  -9.236
   97    HA   MET  12           HA       MET  12   3.818   9.100  -9.222
   98   1HB   MET  12          2HB       MET  12   3.556   7.965  -7.062
   99   2HB   MET  12          1HB       MET  12   2.613   9.453  -7.086
  100   1HG   MET  12          2HG       MET  12   0.604   8.053  -7.749
  101   2HG   MET  12          1HG       MET  12   1.585   6.624  -7.442
  102   1HE   MET  12          2HE       MET  12   1.879   5.540  -5.548
  103   2HE   MET  12          1HE       MET  12   3.097   6.633  -4.893
  104   3HE   MET  12          3HE       MET  12   1.755   6.088  -3.877
  105    H    VAL  13           H        VAL  13   1.035   6.997  -9.807
  106    HA   VAL  13           HA       VAL  13   2.438   4.515  -9.848
  107    HB   VAL  13           HB       VAL  13   0.039   5.284 -11.537
  108   1HG1  VAL  13          3HG1      VAL  13   1.353   3.098 -11.965
  109   2HG1  VAL  13          2HG1      VAL  13   0.734   2.574 -10.399
  110   3HG1  VAL  13          1HG1      VAL  13  -0.385   2.960 -11.706
  111   1HG2  VAL  13          2HG2      VAL  13   0.153   5.498  -8.822
  112   2HG2  VAL  13          1HG2      VAL  13  -1.309   5.055  -9.701
  113   3HG2  VAL  13          3HG2      VAL  13  -0.297   3.801  -8.987
  114    H    ASN  14           H        ASN  14   1.357   6.396 -12.702
  115    HA   ASN  14           HA       ASN  14   3.448   5.063 -14.314
  116   1HB   ASN  14          2HB       ASN  14   2.347   6.248 -16.223
  117   2HB   ASN  14          1HB       ASN  14   1.238   5.221 -15.315
  118   1HD2  ASN  14          2HD2      ASN  14  -0.813   7.901 -14.291
  119   2HD2  ASN  14          1HD2      ASN  14  -0.538   6.226 -14.280
  120    H    ASP  15           H        ASP  15   4.686   6.635 -12.474
  121    HA   ASP  15           HA       ASP  15   5.248   9.250 -13.758
  122   1HB   ASP  15          2HB       ASP  15   5.035   8.537 -11.118
  123   2HB   ASP  15          1HB       ASP  15   6.783   8.488 -11.348
  124    H    LYS  16           H        LYS  16   7.269   9.754 -14.632
  125    HA   LYS  16           HA       LYS  16   8.840   7.541 -15.631
  126   1HB   LYS  16          2HB       LYS  16   9.414  10.519 -15.638
  127   2HB   LYS  16          1HB       LYS  16  10.287   9.312 -16.581
  128   1HG   LYS  16          2HG       LYS  16   8.002   8.649 -17.550
  129   2HG   LYS  16          1HG       LYS  16   7.399  10.154 -16.854
  130   1HD   LYS  16          2HD       LYS  16   9.845  10.105 -18.622
  131   2HD   LYS  16          1HD       LYS  16   8.221  10.241 -19.297
  132   1HE   LYS  16          2HE       LYS  16   7.901  12.179 -17.605
  133   2HE   LYS  16          1HE       LYS  16   9.659  12.161 -17.468
  134   1HZ   LYS  16          1HZ       LYS  16   9.499  12.170 -20.065
  135   2HZ   LYS  16          3HZ       LYS  16   7.979  12.863 -19.765
  136   3HZ   LYS  16          2HZ       LYS  16   9.385  13.617 -19.182
  137    H    SER  17           H        SER  17   8.924   9.255 -12.659
  138    HA   SER  17           HA       SER  17  11.807   8.805 -12.229
  139   1HB   SER  17          2HB       SER  17  10.690  10.862 -11.365
  140   2HB   SER  17          1HB       SER  17   9.692   9.853 -10.324
  141    HG   SER  17           HG       SER  17  11.818  10.809  -9.528
  142    H    ASN  18           H        ASN  18   8.748   7.278 -11.488
  143    HA   ASN  18           HA       ASN  18  10.159   5.378  -9.664
  144   1HB   ASN  18          2HB       ASN  18   7.165   5.708  -9.981
  145   2HB   ASN  18          1HB       ASN  18   8.020   4.852  -8.700
  146   1HD2  ASN  18          2HD2      ASN  18   7.127   8.637  -8.037
  147   2HD2  ASN  18          1HD2      ASN  18   6.306   7.591  -9.089
  148    H    GLU  19           H        GLU  19  10.255   5.298 -12.623
  149    HA   GLU  19           HA       GLU  19   8.464   3.303 -13.641
  150   1HB   GLU  19          2HB       GLU  19  11.119   4.401 -14.507
  151   2HB   GLU  19          1HB       GLU  19  10.468   2.972 -15.311
  152   1HG   GLU  19          2HG       GLU  19   8.381   4.194 -15.803
  153   2HG   GLU  19          1HG       GLU  19   9.027   5.624 -15.002
  154    H    LYS  20           H        LYS  20  11.456   3.080 -11.811
  155    HA   LYS  20           HA       LYS  20  11.461   0.124 -12.200
  156   1HB   LYS  20          2HB       LYS  20  13.535   2.149 -11.761
  157   2HB   LYS  20          1HB       LYS  20  13.701   0.774 -10.669
  158   1HG   LYS  20          2HG       LYS  20  13.228   0.359 -13.618
  159   2HG   LYS  20          1HG       LYS  20  14.855   0.624 -12.988
  160   1HD   LYS  20          2HD       LYS  20  14.279  -1.252 -11.294
  161   2HD   LYS  20          1HD       LYS  20  12.958  -1.643 -12.395
  162   1HE   LYS  20          2HE       LYS  20  14.624  -2.989 -13.276
  163   2HE   LYS  20          1HE       LYS  20  14.890  -1.519 -14.214
  164   1HZ   LYS  20          2HZ       LYS  20  16.426  -0.904 -12.244
  165   2HZ   LYS  20          1HZ       LYS  20  16.428  -2.575 -11.940
  166   3HZ   LYS  20          3HZ       LYS  20  16.984  -1.987 -13.430
  167    H    PHE  21           H        PHE  21   9.501   1.509 -10.486
  168    HA   PHE  21           HA       PHE  21  10.170   0.089  -7.956
  169   1HB   PHE  21          2HB       PHE  21   9.270   2.964  -8.212
  170   2HB   PHE  21          1HB       PHE  21   9.132   2.054  -6.708
  171    HD1  PHE  21           HD1      PHE  21  11.312   0.823  -5.902
  172    HD2  PHE  21           HD2      PHE  21  11.275   4.091  -8.686
  173    HE1  PHE  21           HE1      PHE  21  13.698   1.277  -5.405
  174    HE2  PHE  21           HE2      PHE  21  13.660   4.546  -8.187
  175    HZ   PHE  21           HZ       PHE  21  14.872   3.136  -6.545
  176    H    ILE  22           H        ILE  22   7.627   1.690  -9.886
  177    HA   ILE  22           HA       ILE  22   5.727  -0.373  -8.863
  178    HB   ILE  22           HB       ILE  22   5.306   1.741  -7.670
  179   1HG1  ILE  22          2HG1      ILE  22   3.128   1.452  -9.740
  180   2HG1  ILE  22          1HG1      ILE  22   3.424   0.193  -8.543
  181   1HG2  ILE  22          3HG2      ILE  22   4.966   2.881 -10.459
  182   2HG2  ILE  22          2HG2      ILE  22   4.533   3.723  -8.971
  183   3HG2  ILE  22          1HG2      ILE  22   6.217   3.312  -9.292
  184   1HD1  ILE  22          2HD1      ILE  22   3.311   2.910  -7.405
  185   2HD1  ILE  22          1HD1      ILE  22   1.800   2.378  -8.142
  186   3HD1  ILE  22          3HD1      ILE  22   2.535   1.425  -6.854
  187    H    HIS  23           H        HIS  23   3.992  -0.874 -10.377
  188    HA   HIS  23           HA       HIS  23   4.091   0.299 -13.072
  189   1HB   HIS  23          2HB       HIS  23   5.899  -1.500 -12.982
  190   2HB   HIS  23          1HB       HIS  23   4.595  -2.670 -12.768
  191    HD1  HIS  23           HD1      HIS  23   5.478   0.158 -15.178
  192    HD2  HIS  23           HD2      HIS  23   3.559  -3.542 -15.173
  193    HE1  HIS  23           HE1      HIS  23   4.792  -0.295 -17.573
  194    H    TRP  24           H        TRP  24   2.343  -0.662 -14.465
  195    HA   TRP  24           HA       TRP  24  -0.047  -1.176 -12.820
  196   1HB   TRP  24          2HB       TRP  24   0.355  -0.786 -15.798
  197   2HB   TRP  24          1HB       TRP  24  -1.216  -1.095 -15.059
  198    HD1  TRP  24           HD1      TRP  24   1.717   1.340 -14.340
  199    HE1  TRP  24           HE1      TRP  24   0.713   3.663 -13.845
  200    HE3  TRP  24           HE3      TRP  24  -3.253   0.270 -14.810
  201    HZ2  TRP  24           HZ2      TRP  24  -1.861   4.900 -13.670
  202    HZ3  TRP  24           HZ3      TRP  24  -4.957   2.040 -14.477
  203    HH2  TRP  24           HH2      TRP  24  -4.266   4.351 -13.908
  204    H    SER  25           H        SER  25  -1.524  -2.972 -13.402
  205    HA   SER  25           HA       SER  25  -0.013  -5.475 -13.750
  206   1HB   SER  25          2HB       SER  25  -1.674  -5.523 -12.032
  207   2HB   SER  25          1HB       SER  25  -2.896  -4.830 -13.095
  208    HG   SER  25           HG       SER  25  -3.371  -6.847 -13.465
  209    H    THR  26           H        THR  26  -1.094  -7.181 -15.232
  210    HA   THR  26           HA       THR  26  -1.223  -6.072 -17.925
  211    HB   THR  26           HB       THR  26  -1.780  -8.910 -17.011
  212    HG1  THR  26           HG1      THR  26   0.315  -9.191 -16.977
  213   1HG2  THR  26          2HG2      THR  26  -1.504  -7.544 -19.632
  214   2HG2  THR  26          1HG2      THR  26  -0.689  -9.099 -19.473
  215   3HG2  THR  26          3HG2      THR  26  -2.427  -8.984 -19.204
  216    H    SER  27           H        SER  27  -3.069  -5.001 -18.477
  217    HA   SER  27           HA       SER  27  -5.330  -4.659 -18.982
  218   1HB   SER  27          2HB       SER  27  -4.994  -7.571 -18.954
  219   2HB   SER  27          1HB       SER  27  -6.631  -7.079 -18.536
  220    HG   SER  27           HG       SER  27  -6.901  -6.327 -20.498
  221    H    GLY  28           H        GLY  28  -6.986  -3.833 -17.768
  222   1HA   GLY  28          2HA       GLY  28  -8.567  -3.882 -15.926
  223   2HA   GLY  28          1HA       GLY  28  -7.458  -4.931 -15.043
  224    H    GLU  29           H        GLU  29  -7.480  -3.523 -13.217
  225    HA   GLU  29           HA       GLU  29  -5.661  -1.198 -13.511
  226   1HB   GLU  29          2HB       GLU  29  -8.313  -0.697 -13.461
  227   2HB   GLU  29          1HB       GLU  29  -8.007  -0.788 -11.726
  228   1HG   GLU  29          2HG       GLU  29  -6.524   1.020 -11.756
  229   2HG   GLU  29          1HG       GLU  29  -6.186   0.839 -13.476
  230    H    SER  30           H        SER  30  -4.138  -2.564 -12.391
  231    HA   SER  30           HA       SER  30  -4.651  -2.706  -9.460
  232   1HB   SER  30          2HB       SER  30  -3.625  -4.974 -11.188
  233   2HB   SER  30          1HB       SER  30  -3.569  -4.972  -9.428
  234    HG   SER  30           HG       SER  30  -5.873  -4.675  -9.493
  235    H    ILE  31           H        ILE  31  -2.838  -2.259  -8.228
  236    HA   ILE  31           HA       ILE  31  -0.440  -1.338  -9.717
  237    HB   ILE  31           HB       ILE  31  -1.156  -0.992  -6.788
  238   1HG1  ILE  31          2HG1      ILE  31  -1.330   1.135  -8.921
  239   2HG1  ILE  31          1HG1      ILE  31  -2.691   0.054  -8.623
  240   1HG2  ILE  31          3HG2      ILE  31   0.903   0.343  -8.573
  241   2HG2  ILE  31          2HG2      ILE  31   0.554   0.811  -6.910
  242   3HG2  ILE  31          1HG2      ILE  31   1.242  -0.776  -7.253
  243   1HD1  ILE  31          3HD1      ILE  31  -1.458   1.285  -6.218
  244   2HD1  ILE  31          2HD1      ILE  31  -2.340   2.379  -7.283
  245   3HD1  ILE  31          1HD1      ILE  31  -3.157   0.982  -6.583
  246    H    VAL  32           H        VAL  32   1.144  -2.842  -9.946
  247    HA   VAL  32           HA       VAL  32   1.392  -5.027  -7.961
  248    HB   VAL  32           HB       VAL  32   2.963  -4.571 -10.516
  249   1HG1  VAL  32          3HG1      VAL  32   2.819  -6.709  -8.445
  250   2HG1  VAL  32          2HG1      VAL  32   2.939  -7.233 -10.125
  251   3HG1  VAL  32          1HG1      VAL  32   4.183  -6.193  -9.435
  252   1HG2  VAL  32          1HG2      VAL  32   0.416  -4.796 -10.752
  253   2HG2  VAL  32          3HG2      VAL  32   1.386  -5.973 -11.637
  254   3HG2  VAL  32          2HG2      VAL  32   0.608  -6.432 -10.122
  255    H    VAL  33           H        VAL  33   2.916  -4.987  -6.381
  256    HA   VAL  33           HA       VAL  33   5.161  -3.022  -6.637
  257    HB   VAL  33           HB       VAL  33   3.723  -3.935  -4.123
  258   1HG1  VAL  33          2HG1      VAL  33   6.144  -2.194  -4.596
  259   2HG1  VAL  33          1HG1      VAL  33   5.138  -1.972  -3.165
  260   3HG1  VAL  33          3HG1      VAL  33   5.946  -3.515  -3.444
  261   1HG2  VAL  33          3HG2      VAL  33   3.623  -1.438  -5.804
  262   2HG2  VAL  33          2HG2      VAL  33   2.286  -2.383  -5.147
  263   3HG2  VAL  33          1HG2      VAL  33   3.256  -1.368  -4.080
  264    HA   PRO  34           HA       PRO  34   6.945  -7.229  -6.354
  265   1HB   PRO  34          2HB       PRO  34   9.267  -6.625  -7.685
  266   2HB   PRO  34          1HB       PRO  34   7.792  -7.178  -8.495
  267   1HG   PRO  34          2HG       PRO  34   8.972  -4.452  -8.407
  268   2HG   PRO  34          1HG       PRO  34   7.907  -5.178  -9.622
  269   1HD   PRO  34          2HD       PRO  34   7.127  -3.355  -7.601
  270   2HD   PRO  34          1HD       PRO  34   6.043  -4.314  -8.624
  271    H    ASN  35           H        ASN  35   8.135  -4.010  -5.648
  272    HA   ASN  35           HA       ASN  35   9.692  -5.126  -3.366
  273   1HB   ASN  35          2HB       ASN  35  10.642  -3.311  -5.554
  274   2HB   ASN  35          1HB       ASN  35  11.283  -3.081  -3.928
  275   1HD2  ASN  35          2HD2      ASN  35  12.306  -6.430  -6.049
  276   2HD2  ASN  35          1HD2      ASN  35  11.052  -5.428  -6.601
  277    H    ARG  36           H        ARG  36   8.140  -4.430  -1.861
  278    HA   ARG  36           HA       ARG  36   6.991  -1.755  -1.954
  279   1HB   ARG  36          2HB       ARG  36   5.989  -2.359   0.222
  280   2HB   ARG  36          1HB       ARG  36   5.751  -3.643  -0.961
  281   1HG   ARG  36          2HG       ARG  36   8.119  -4.430   0.113
  282   2HG   ARG  36          1HG       ARG  36   7.400  -3.628   1.508
  283   1HD   ARG  36          2HD       ARG  36   6.121  -5.836  -0.133
  284   2HD   ARG  36          1HD       ARG  36   6.775  -5.997   1.498
  285    HE   ARG  36           HE       ARG  36   4.181  -4.912   0.822
  286   1HH1  ARG  36          1HH2      ARG  36   4.887  -2.508   2.066
  287   2HH1  ARG  36          2HH2      ARG  36   4.830  -2.816   3.769
  288   1HH2  ARG  36          1HH1      ARG  36   4.867  -4.948   4.532
  289   2HH2  ARG  36          2HH1      ARG  36   4.951  -6.266   3.411
  290    H    GLU  37           H        GLU  37   9.737  -3.246  -0.385
  291    HA   GLU  37           HA       GLU  37  10.191  -1.168   1.564
  292   1HB   GLU  37          2HB       GLU  37  12.452  -2.157   1.779
  293   2HB   GLU  37          1HB       GLU  37  11.194  -3.389   1.833
  294   1HG   GLU  37          2HG       GLU  37  11.576  -3.787  -0.627
  295   2HG   GLU  37          1HG       GLU  37  12.948  -2.683  -0.540
  296    H    ARG  38           H        ARG  38  11.372  -1.701  -1.742
  297    HA   ARG  38           HA       ARG  38  13.139   0.615  -1.684
  298   1HB   ARG  38          2HB       ARG  38  12.465  -1.533  -3.538
  299   2HB   ARG  38          1HB       ARG  38  12.571   0.016  -4.370
  300   1HG   ARG  38          2HG       ARG  38  14.818   0.135  -4.105
  301   2HG   ARG  38          1HG       ARG  38  14.734  -0.384  -2.422
  302   1HD   ARG  38          2HD       ARG  38  14.042  -2.655  -3.964
  303   2HD   ARG  38          1HD       ARG  38  15.438  -1.930  -4.761
  304    HE   ARG  38           HE       ARG  38  15.928  -2.024  -1.947
  305   1HH1  ARG  38          1HH2      ARG  38  14.641  -4.685  -3.211
  306   2HH1  ARG  38          2HH2      ARG  38  16.081  -5.647  -3.281
  307   1HH2  ARG  38          2HH1      ARG  38  18.210  -2.973  -2.684
  308   2HH2  ARG  38          1HH1      ARG  38  18.104  -4.676  -2.984
  309    H    PHE  39           H        PHE  39   9.890  -0.070  -2.955
  310    HA   PHE  39           HA       PHE  39   9.423   2.394  -4.280
  311   1HB   PHE  39          2HB       PHE  39   7.892   0.557  -4.584
  312   2HB   PHE  39          1HB       PHE  39   7.548   0.480  -2.860
  313    HD1  PHE  39           HD1      PHE  39   7.154   2.603  -5.902
  314    HD2  PHE  39           HD2      PHE  39   5.882   1.840  -1.874
  315    HE1  PHE  39           HE1      PHE  39   5.272   4.192  -6.196
  316    HE2  PHE  39           HE2      PHE  39   3.999   3.429  -2.168
  317    HZ   PHE  39           HZ       PHE  39   3.697   4.603  -4.327
  318    H    VAL  40           H        VAL  40   8.071   1.546  -1.066
  319    HA   VAL  40           HA       VAL  40   7.326   4.129  -0.272
  320    HB   VAL  40           HB       VAL  40   8.442   1.941   1.517
  321   1HG1  VAL  40          1HG1      VAL  40   8.190   4.244   2.535
  322   2HG1  VAL  40          3HG1      VAL  40   6.467   4.142   2.177
  323   3HG1  VAL  40          2HG1      VAL  40   7.202   2.997   3.298
  324   1HG2  VAL  40          1HG2      VAL  40   5.860   2.302   0.089
  325   2HG2  VAL  40          3HG2      VAL  40   6.663   0.820   0.607
  326   3HG2  VAL  40          2HG2      VAL  40   5.748   1.780   1.770
  327    H    GLN  41           H        GLN  41  10.457   2.523   0.216
  328    HA   GLN  41           HA       GLN  41  11.794   4.404   1.776
  329   1HB   GLN  41          2HB       GLN  41  12.631   2.428  -0.276
  330   2HB   GLN  41          1HB       GLN  41  13.818   3.659   0.164
  331   1HG   GLN  41          2HG       GLN  41  12.310   1.996   2.197
  332   2HG   GLN  41          1HG       GLN  41  13.909   1.572   1.588
  333   1HE2  GLN  41          2HE2      GLN  41  13.516   4.558   4.324
  334   2HE2  GLN  41          1HE2      GLN  41  12.152   3.762   3.700
  335    H    GLU  42           H        GLU  42  11.371   4.561  -1.786
  336    HA   GLU  42           HA       GLU  42  12.295   7.405  -1.601
  337   1HB   GLU  42          2HB       GLU  42  12.969   5.314  -3.674
  338   2HB   GLU  42          1HB       GLU  42  13.180   7.038  -3.971
  339   1HG   GLU  42          2HG       GLU  42  15.089   7.084  -2.772
  340   2HG   GLU  42          1HG       GLU  42  14.308   6.313  -1.393
  341    H    VAL  43           H        VAL  43   9.518   6.412  -1.568
  342    HA   VAL  43           HA       VAL  43   8.566   8.016  -3.849
  343    HB   VAL  43           HB       VAL  43   7.586   5.168  -3.480
  344   1HG1  VAL  43          1HG1      VAL  43   6.656   7.527  -5.002
  345   2HG1  VAL  43          3HG1      VAL  43   6.783   6.048  -5.956
  346   3HG1  VAL  43          2HG1      VAL  43   5.772   6.083  -4.512
  347   1HG2  VAL  43          1HG2      VAL  43   9.413   6.435  -5.546
  348   2HG2  VAL  43          3HG2      VAL  43   9.816   5.129  -4.433
  349   3HG2  VAL  43          2HG2      VAL  43   8.665   4.850  -5.739
  350    H    LEU  44           H        LEU  44   7.674   6.148  -0.918
  351    HA   LEU  44           HA       LEU  44   5.034   7.292  -0.746
  352   1HB   LEU  44          2HB       LEU  44   5.857   5.220   0.476
  353   2HB   LEU  44          1HB       LEU  44   6.658   6.305   1.608
  354    HG   LEU  44           HG       LEU  44   4.450   7.429   2.003
  355   1HD1  LEU  44          3HD1      LEU  44   3.551   5.192   0.177
  356   2HD1  LEU  44          2HD1      LEU  44   2.446   5.982   1.302
  357   3HD1  LEU  44          1HD1      LEU  44   3.223   6.918   0.026
  358   1HD2  LEU  44          2HD2      LEU  44   5.367   5.570   3.446
  359   2HD2  LEU  44          1HD2      LEU  44   3.607   5.695   3.469
  360   3HD2  LEU  44          3HD2      LEU  44   4.390   4.440   2.508
  361    HA   PRO  45           HA       PRO  45   6.909  10.460   2.237
  362   1HB   PRO  45          2HB       PRO  45   9.617  10.898   2.194
  363   2HB   PRO  45          1HB       PRO  45   8.823   9.814   3.349
  364   1HG   PRO  45          2HG       PRO  45  10.446   9.140   0.946
  365   2HG   PRO  45          1HG       PRO  45  10.195   8.207   2.431
  366   1HD   PRO  45          2HD       PRO  45   8.925   7.729  -0.031
  367   2HD   PRO  45          1HD       PRO  45   8.427   7.080   1.541
  368    H    LYS  46           H        LYS  46   8.291   9.837  -0.918
  369    HA   LYS  46           HA       LYS  46   9.153  12.397  -1.705
  370   1HB   LYS  46          2HB       LYS  46   8.042  10.009  -3.127
  371   2HB   LYS  46          1HB       LYS  46   8.251  11.511  -4.029
  372   1HG   LYS  46          2HG       LYS  46  10.513  10.633  -2.295
  373   2HG   LYS  46          1HG       LYS  46  10.236   9.735  -3.787
  374   1HD   LYS  46          2HD       LYS  46  10.652  11.578  -5.137
  375   2HD   LYS  46          1HD       LYS  46  10.233  12.729  -3.868
  376   1HE   LYS  46          2HE       LYS  46  12.547  12.924  -3.859
  377   2HE   LYS  46          1HE       LYS  46  12.329  11.657  -2.653
  378   1HZ   LYS  46          3HZ       LYS  46  12.597  10.903  -5.478
  379   2HZ   LYS  46          2HZ       LYS  46  13.992  11.339  -4.611
  380   3HZ   LYS  46          1HZ       LYS  46  13.033  10.039  -4.085
  381    H    TYR  47           H        TYR  47   5.914  11.195  -1.189
  382    HA   TYR  47           HA       TYR  47   4.815  13.720  -2.352
  383   1HB   TYR  47          2HB       TYR  47   3.532  11.016  -1.884
  384   2HB   TYR  47          1HB       TYR  47   2.625  12.455  -2.352
  385    HD1  TYR  47           HD2      TYR  47   5.520  10.314  -3.385
  386    HD2  TYR  47           HD1      TYR  47   2.477  13.092  -4.615
  387    HE1  TYR  47           HE2      TYR  47   6.126   9.932  -5.757
  388    HE2  TYR  47           HE1      TYR  47   3.087  12.706  -6.988
  389    HH   TYR  47           HH       TYR  47   5.898  11.343  -7.967
  390    H    PHE  48           H        PHE  48   4.079  11.397   0.295
  391    HA   PHE  48           HA       PHE  48   2.893  13.602   1.864
  392   1HB   PHE  48          2HB       PHE  48   3.153  10.625   2.367
  393   2HB   PHE  48          1HB       PHE  48   2.461  11.743   3.540
  394    HD1  PHE  48           HD1      PHE  48   0.869  13.595   2.017
  395    HD2  PHE  48           HD2      PHE  48   1.448   9.386   1.370
  396    HE1  PHE  48           HE1      PHE  48  -1.307  13.477   0.835
  397    HE2  PHE  48           HE2      PHE  48  -0.729   9.270   0.188
  398    HZ   PHE  48           HZ       PHE  48  -2.105  11.315  -0.080
  399    H    LYS  49           H        LYS  49   3.564  13.148   4.418
  400    HA   LYS  49           HA       LYS  49   6.549  13.129   4.503
  401   1HB   LYS  49          2HB       LYS  49   4.639  15.222   5.502
  402   2HB   LYS  49          1HB       LYS  49   6.169  14.967   6.342
  403   1HG   LYS  49          2HG       LYS  49   6.049  15.332   3.348
  404   2HG   LYS  49          1HG       LYS  49   6.164  16.709   4.445
  405   1HD   LYS  49          2HD       LYS  49   8.076  14.515   4.990
  406   2HD   LYS  49          1HD       LYS  49   8.327  15.360   3.462
  407   1HE   LYS  49          2HE       LYS  49   7.965  17.505   5.000
  408   2HE   LYS  49          1HE       LYS  49   8.520  16.401   6.258
  409   1HZ   LYS  49          1HZ       LYS  49  10.378  15.854   4.607
  410   2HZ   LYS  49          3HZ       LYS  49   9.939  17.297   3.832
  411   3HZ   LYS  49          2HZ       LYS  49  10.464  17.328   5.447
  412    H    HIS  50           H        HIS  50   7.286  11.753   6.020
  413    HA   HIS  50           HA       HIS  50   7.333  10.305   7.853
  414   1HB   HIS  50          2HB       HIS  50   5.550  12.524   8.834
  415   2HB   HIS  50          1HB       HIS  50   5.836  11.099   9.830
  416    HD1  HIS  50           HD1      HIS  50   7.125  14.340   9.489
  417    HD2  HIS  50           HD2      HIS  50   8.945  10.595   9.702
  418    HE1  HIS  50           HE1      HIS  50   9.522  14.745  10.202
  419    H    SER  51           H        SER  51   5.882   9.263   5.859
  420    HA   SER  51           HA       SER  51   3.345   8.292   7.110
  421   1HB   SER  51          2HB       SER  51   4.104   8.999   4.370
  422   2HB   SER  51          1HB       SER  51   3.359   7.406   4.471
  423    HG   SER  51           HG       SER  51   1.654   8.728   4.371
  424    H    ASN  52           H        ASN  52   2.983   5.895   5.877
  425    HA   ASN  52           HA       ASN  52   5.430   4.309   5.818
  426   1HB   ASN  52          2HB       ASN  52   4.743   2.840   7.742
  427   2HB   ASN  52          1HB       ASN  52   5.248   4.459   8.218
  428   1HD2  ASN  52          2HD2      ASN  52   1.689   3.281   9.443
  429   2HD2  ASN  52          1HD2      ASN  52   2.992   2.262   9.067
  430    H    PHE  53           H        PHE  53   4.668   1.837   5.897
  431    HA   PHE  53           HA       PHE  53   3.057   1.393   3.601
  432   1HB   PHE  53          2HB       PHE  53   3.082  -0.782   5.653
  433   2HB   PHE  53          1HB       PHE  53   3.343  -0.880   3.918
  434    HD1  PHE  53           HD1      PHE  53   5.573   0.251   3.040
  435    HD2  PHE  53           HD2      PHE  53   4.885  -0.971   7.100
  436    HE1  PHE  53           HE1      PHE  53   8.022   0.180   3.436
  437    HE2  PHE  53           HE2      PHE  53   7.331  -1.038   7.496
  438    HZ   PHE  53           HZ       PHE  53   8.900  -0.462   5.665
  439    H    ALA  54           H        ALA  54   2.180   1.229   7.050
  440    HA   ALA  54           HA       ALA  54  -0.503   0.335   6.664
  441   1HB   ALA  54          1HB       ALA  54   1.012   0.682   8.846
  442   2HB   ALA  54          3HB       ALA  54   0.089   2.183   8.927
  443   3HB   ALA  54          2HB       ALA  54  -0.749   0.631   8.931
  444    H    SER  55           H        SER  55   0.935   3.542   6.459
  445    HA   SER  55           HA       SER  55  -1.562   4.997   6.579
  446   1HB   SER  55          2HB       SER  55   0.690   6.022   6.980
  447   2HB   SER  55          1HB       SER  55   1.035   5.839   5.263
  448    HG   SER  55           HG       SER  55  -0.088   7.867   6.320
  449    H    PHE  56           H        PHE  56   0.497   3.899   3.881
  450    HA   PHE  56           HA       PHE  56  -1.137   4.936   1.782
  451   1HB   PHE  56          2HB       PHE  56   1.212   4.087   1.520
  452   2HB   PHE  56          1HB       PHE  56   0.601   2.447   1.717
  453    HD1  PHE  56           HD2      PHE  56  -0.863   5.359  -0.134
  454    HD2  PHE  56           HD1      PHE  56   0.822   1.419  -0.377
  455    HE1  PHE  56           HE2      PHE  56  -1.406   5.278  -2.554
  456    HE2  PHE  56           HE1      PHE  56   0.280   1.335  -2.795
  457    HZ   PHE  56           HZ       PHE  56  -0.833   3.265  -3.885
  458    H    VAL  57           H        VAL  57  -1.249   1.947   3.618
  459    HA   VAL  57           HA       VAL  57  -3.327   0.728   1.974
  460    HB   VAL  57           HB       VAL  57  -2.466  -0.006   4.792
  461   1HG1  VAL  57          2HG1      VAL  57  -4.648  -0.919   3.635
  462   2HG1  VAL  57          1HG1      VAL  57  -3.514  -1.895   2.704
  463   3HG1  VAL  57          3HG1      VAL  57  -3.565  -2.038   4.459
  464   1HG2  VAL  57          1HG2      VAL  57  -0.753   0.064   2.709
  465   2HG2  VAL  57          3HG2      VAL  57  -0.688  -1.193   3.941
  466   3HG2  VAL  57          2HG2      VAL  57  -1.495  -1.505   2.405
  467    H    ARG  58           H        ARG  58  -3.233   2.928   4.685
  468    HA   ARG  58           HA       ARG  58  -5.938   2.420   5.608
  469   1HB   ARG  58          2HB       ARG  58  -3.752   4.286   6.235
  470   2HB   ARG  58          1HB       ARG  58  -5.347   5.023   6.365
  471   1HG   ARG  58          2HG       ARG  58  -6.077   3.151   7.820
  472   2HG   ARG  58          1HG       ARG  58  -4.455   2.462   7.724
  473   1HD   ARG  58          2HD       ARG  58  -3.491   4.296   8.891
  474   2HD   ARG  58          1HD       ARG  58  -4.934   5.289   8.678
  475    HE   ARG  58           HE       ARG  58  -6.082   3.709  10.272
  476   1HH1  ARG  58          1HH2      ARG  58  -3.646   1.781  10.120
  477   2HH1  ARG  58          2HH2      ARG  58  -2.953   2.048  11.684
  478   1HH2  ARG  58          2HH1      ARG  58  -4.757   4.945  12.286
  479   2HH2  ARG  58          1HH1      ARG  58  -3.581   3.836  12.908
  480    H    GLN  59           H        GLN  59  -4.450   4.584   3.246
  481    HA   GLN  59           HA       GLN  59  -6.884   6.117   2.771
  482   1HB   GLN  59          2HB       GLN  59  -4.256   5.839   1.300
  483   2HB   GLN  59          1HB       GLN  59  -5.578   6.815   0.664
  484   1HG   GLN  59          2HG       GLN  59  -4.646   7.209   3.497
  485   2HG   GLN  59          1HG       GLN  59  -3.767   7.961   2.165
  486   1HE2  GLN  59          2HE2      GLN  59  -6.130  10.593   2.798
  487   2HE2  GLN  59          1HE2      GLN  59  -4.572  10.051   3.198
  488    H    LEU  60           H        LEU  60  -5.124   3.606   0.952
  489    HA   LEU  60           HA       LEU  60  -6.996   3.330  -1.171
  490   1HB   LEU  60          2HB       LEU  60  -5.053   1.354   0.046
  491   2HB   LEU  60          1HB       LEU  60  -5.935   1.061  -1.445
  492    HG   LEU  60           HG       LEU  60  -4.200   3.501  -1.025
  493   1HD1  LEU  60          2HD1      LEU  60  -3.513   0.713  -1.824
  494   2HD1  LEU  60          1HD1      LEU  60  -2.772   2.017  -2.753
  495   3HD1  LEU  60          3HD1      LEU  60  -2.523   1.926  -1.010
  496   1HD2  LEU  60          3HD2      LEU  60  -5.475   2.171  -3.433
  497   2HD2  LEU  60          2HD2      LEU  60  -5.815   3.781  -2.795
  498   3HD2  LEU  60          1HD2      LEU  60  -4.261   3.445  -3.559
  499    H    ASN  61           H        ASN  61  -6.949   1.944   2.062
  500    HA   ASN  61           HA       ASN  61  -9.034  -0.015   1.531
  501   1HB   ASN  61          2HB       ASN  61  -7.307  -0.182   3.374
  502   2HB   ASN  61          1HB       ASN  61  -8.186   1.093   4.218
  503   1HD2  ASN  61          2HD2      ASN  61 -10.255  -2.421   3.638
  504   2HD2  ASN  61          1HD2      ASN  61  -9.270  -1.830   2.388
  505    H    MET  62           H        MET  62  -8.943   3.178   3.113
  506    HA   MET  62           HA       MET  62 -11.714   3.242   3.828
  507   1HB   MET  62          2HB       MET  62  -9.449   4.966   4.038
  508   2HB   MET  62          1HB       MET  62 -10.742   5.899   3.290
  509   1HG   MET  62          2HG       MET  62 -10.984   6.146   5.671
  510   2HG   MET  62          1HG       MET  62 -12.272   5.070   5.132
  511   1HE   MET  62          3HE       MET  62 -11.971   5.303   7.737
  512   2HE   MET  62          2HE       MET  62 -12.579   3.650   7.700
  513   3HE   MET  62          1HE       MET  62 -11.179   4.044   8.695
  514    H    TYR  63           H        TYR  63 -10.152   3.624   0.758
  515    HA   TYR  63           HA       TYR  63 -12.429   5.124  -0.381
  516   1HB   TYR  63          2HB       TYR  63  -9.750   4.232  -1.428
  517   2HB   TYR  63          1HB       TYR  63 -11.011   4.787  -2.532
  518    HD1  TYR  63           HD2      TYR  63 -12.334   6.964  -1.350
  519    HD2  TYR  63           HD1      TYR  63  -8.191   5.897  -0.954
  520    HE1  TYR  63           HE2      TYR  63 -11.783   9.315  -0.788
  521    HE2  TYR  63           HE1      TYR  63  -7.641   8.248  -0.391
  522    HH   TYR  63           HH       TYR  63  -9.880  10.812  -0.816
  523    H    GLY  64           H        GLY  64 -10.877   1.921  -0.750
  524   1HA   GLY  64          2HA       GLY  64 -13.012   0.275  -0.924
  525   2HA   GLY  64          1HA       GLY  64 -13.072   1.036  -2.513
  526    H    TRP  65           H        TRP  65  -9.981   1.202  -2.379
  527    HA   TRP  65           HA       TRP  65  -9.371  -1.053  -3.973
  528   1HB   TRP  65          2HB       TRP  65  -7.672   0.762  -2.262
  529   2HB   TRP  65          1HB       TRP  65  -6.951  -0.586  -3.136
  530    HD1  TRP  65           HD1      TRP  65  -9.148   2.515  -3.857
  531    HE1  TRP  65           HE1      TRP  65  -8.562   3.376  -6.217
  532    HE3  TRP  65           HE3      TRP  65  -5.822  -1.078  -5.314
  533    HZ2  TRP  65           HZ2      TRP  65  -6.910   2.639  -8.428
  534    HZ3  TRP  65           HZ3      TRP  65  -4.759  -0.974  -7.551
  535    HH2  TRP  65           HH2      TRP  65  -5.299   0.878  -9.109
  536    H    HIS  66           H        HIS  66  -9.450  -3.167  -3.378
  537    HA   HIS  66           HA       HIS  66  -8.689  -3.873  -0.571
  538   1HB   HIS  66          2HB       HIS  66 -10.646  -5.135  -2.500
  539   2HB   HIS  66          1HB       HIS  66 -10.035  -6.005  -1.093
  540    HD1  HIS  66           HD1      HIS  66 -10.172  -4.257   1.197
  541    HD2  HIS  66           HD2      HIS  66 -13.007  -3.883  -1.837
  542    HE1  HIS  66           HE1      HIS  66 -12.155  -3.052   2.213
  543    H    LYS  67           H        LYS  67  -7.400  -5.811  -0.310
  544    HA   LYS  67           HA       LYS  67  -5.409  -6.138  -2.411
  545   1HB   LYS  67          2HB       LYS  67  -5.753  -6.948   0.396
  546   2HB   LYS  67          1HB       LYS  67  -4.944  -8.169  -0.586
  547   1HG   LYS  67          2HG       LYS  67  -3.628  -5.994  -1.464
  548   2HG   LYS  67          1HG       LYS  67  -4.039  -5.429   0.155
  549   1HD   LYS  67          2HD       LYS  67  -2.689  -8.081  -0.431
  550   2HD   LYS  67          1HD       LYS  67  -1.834  -6.617   0.058
  551   1HE   LYS  67          2HE       LYS  67  -3.649  -6.659   2.016
  552   2HE   LYS  67          1HE       LYS  67  -3.631  -8.385   1.657
  553   1HZ   LYS  67          1HZ       LYS  67  -1.082  -8.072   1.740
  554   2HZ   LYS  67          3HZ       LYS  67  -1.445  -6.669   2.623
  555   3HZ   LYS  67          2HZ       LYS  67  -1.952  -8.186   3.195
  556    H    VAL  68           H        VAL  68  -4.807  -8.369  -3.199
  557    HA   VAL  68           HA       VAL  68  -7.285  -9.848  -3.939
  558    HB   VAL  68           HB       VAL  68  -5.881  -8.979  -5.789
  559   1HG1  VAL  68          3HG1      VAL  68  -3.747  -9.739  -4.172
  560   2HG1  VAL  68          2HG1      VAL  68  -3.722 -10.931  -5.471
  561   3HG1  VAL  68          1HG1      VAL  68  -3.635  -9.212  -5.852
  562   1HG2  VAL  68          2HG2      VAL  68  -7.201 -11.090  -6.036
  563   2HG2  VAL  68          1HG2      VAL  68  -5.768 -11.056  -7.063
  564   3HG2  VAL  68          3HG2      VAL  68  -5.764 -12.003  -5.576
  565    H    GLN  69           H        GLN  69  -7.640 -11.819  -3.049
  566    HA   GLN  69           HA       GLN  69  -5.323 -13.213  -1.763
  567   1HB   GLN  69          2HB       GLN  69  -8.121 -12.719  -0.868
  568   2HB   GLN  69          1HB       GLN  69  -7.430 -14.295  -0.481
  569   1HG   GLN  69          2HG       GLN  69  -5.779 -13.396   0.878
  570   2HG   GLN  69          1HG       GLN  69  -5.782 -11.847   0.034
  571   1HE2  GLN  69          2HE2      GLN  69  -7.467 -11.097   3.201
  572   2HE2  GLN  69          1HE2      GLN  69  -5.896 -11.394   2.631
  573    H    ASP  70           H        ASP  70  -8.419 -13.694  -3.474
  574    HA   ASP  70           HA       ASP  70  -9.135 -15.451  -4.854
  575   1HB   ASP  70          2HB       ASP  70  -6.441 -15.047  -5.467
  576   2HB   ASP  70          1HB       ASP  70  -6.537 -16.780  -5.163
  577    H    VAL  71           H        VAL  71  -8.594 -18.082  -5.019
  578    HA   VAL  71           HA       VAL  71  -9.278 -19.057  -2.351
  579    HB   VAL  71           HB       VAL  71  -8.692 -20.691  -4.836
  580   1HG1  VAL  71          3HG1      VAL  71 -10.231 -21.195  -2.275
  581   2HG1  VAL  71          2HG1      VAL  71 -10.346 -22.238  -3.692
  582   3HG1  VAL  71          1HG1      VAL  71  -8.804 -22.055  -2.853
  583   1HG2  VAL  71          2HG2      VAL  71 -11.096 -19.092  -4.005
  584   2HG2  VAL  71          1HG2      VAL  71 -10.412 -19.323  -5.614
  585   3HG2  VAL  71          3HG2      VAL  71 -11.339 -20.618  -4.856
  586    H    LYS  72           H        LYS  72  -6.319 -18.482  -3.944
  587    HA   LYS  72           HA       LYS  72  -4.942 -20.588  -2.344
  588   1HB   LYS  72          2HB       LYS  72  -2.975 -20.040  -3.848
  589   2HB   LYS  72          1HB       LYS  72  -4.360 -20.752  -4.672
  590   1HG   LYS  72          2HG       LYS  72  -4.995 -18.712  -5.647
  591   2HG   LYS  72          1HG       LYS  72  -4.100 -17.759  -4.464
  592   1HD   LYS  72          2HD       LYS  72  -2.449 -17.632  -6.005
  593   2HD   LYS  72          1HD       LYS  72  -2.127 -19.329  -5.654
  594   1HE   LYS  72          2HE       LYS  72  -4.184 -18.443  -7.691
  595   2HE   LYS  72          1HE       LYS  72  -2.502 -18.770  -8.112
  596   1HZ   LYS  72          2HZ       LYS  72  -4.186 -20.732  -6.668
  597   2HZ   LYS  72          1HZ       LYS  72  -4.113 -20.673  -8.364
  598   3HZ   LYS  72          3HZ       LYS  72  -2.711 -21.001  -7.468
  599    H    SER  73           H        SER  73  -3.483 -19.997  -0.774
  600    HA   SER  73           HA       SER  73  -3.563 -17.291   0.250
  601   1HB   SER  73          2HB       SER  73  -1.596 -18.262   1.690
  602   2HB   SER  73          1HB       SER  73  -3.224 -18.892   1.924
  603    HG   SER  73           HG       SER  73  -1.926 -20.647   1.655
  604    H    GLY  74           H        GLY  74  -1.154 -19.198  -1.534
  605   1HA   GLY  74          2HA       GLY  74   0.255 -16.640  -2.159
  606   2HA   GLY  74          1HA       GLY  74   1.169 -18.079  -1.705
  607    H    SER  75           H        SER  75   2.012 -19.092  -3.459
  608    HA   SER  75           HA       SER  75   0.323 -19.775  -5.742
  609   1HB   SER  75          2HB       SER  75   1.980 -18.635  -7.360
  610   2HB   SER  75          1HB       SER  75   0.808 -17.603  -6.548
  611    HG   SER  75           HG       SER  75   2.386 -16.665  -5.520
  612    H    MET  76           H        MET  76   2.077 -21.072  -3.721
  613    HA   MET  76           HA       MET  76   3.331 -23.063  -3.742
  614   1HB   MET  76          2HB       MET  76   2.509 -23.187  -6.254
  615   2HB   MET  76          1HB       MET  76   4.169 -22.702  -6.601
  616   1HG   MET  76          2HG       MET  76   4.132 -25.106  -6.592
  617   2HG   MET  76          1HG       MET  76   4.929 -24.600  -5.101
  618   1HE   MET  76          2HE       MET  76   1.867 -25.526  -6.905
  619   2HE   MET  76          1HE       MET  76   0.780 -26.322  -5.770
  620   3HE   MET  76          3HE       MET  76   0.869 -24.556  -5.824
  621    H    LEU  77           H        LEU  77   4.978 -20.893  -6.074
  622    HA   LEU  77           HA       LEU  77   7.592 -21.302  -5.078
  623   1HB   LEU  77          2HB       LEU  77   6.315 -19.632  -7.009
  624   2HB   LEU  77          1HB       LEU  77   7.318 -18.589  -6.006
  625    HG   LEU  77           HG       LEU  77   8.592 -19.452  -7.926
  626   1HD1  LEU  77          2HD1      LEU  77   9.591 -19.147  -5.556
  627   2HD1  LEU  77          1HD1      LEU  77   9.611 -20.909  -5.494
  628   3HD1  LEU  77          3HD1      LEU  77  10.531 -20.059  -6.737
  629   1HD2  LEU  77          2HD2      LEU  77   7.160 -21.663  -7.854
  630   2HD2  LEU  77          1HD2      LEU  77   8.829 -21.720  -8.424
  631   3HD2  LEU  77          3HD2      LEU  77   8.441 -22.223  -6.779
  632    H    SER  78           H        SER  78   8.729 -20.407  -3.363
  633    HA   SER  78           HA       SER  78   7.248 -19.155  -1.235
  634   1HB   SER  78          2HB       SER  78  10.239 -19.458  -1.645
  635   2HB   SER  78          1HB       SER  78   9.489 -18.904  -0.151
  636    HG   SER  78           HG       SER  78   9.988 -21.248  -0.399
  637    H    ASN  79           H        ASN  79  10.239 -17.433  -1.795
  638    HA   ASN  79           HA       ASN  79  10.603 -15.153  -2.185
  639   1HB   ASN  79          2HB       ASN  79   8.936 -16.200  -4.342
  640   2HB   ASN  79          1HB       ASN  79   8.665 -14.476  -4.093
  641   1HD2  ASN  79          2HD2      ASN  79  12.039 -15.680  -5.906
  642   2HD2  ASN  79          1HD2      ASN  79  10.747 -16.730  -5.580
  643    H    ASN  80           H        ASN  80   8.525 -15.973  -0.163
  644    HA   ASN  80           HA       ASN  80   6.490 -13.860  -0.320
  645   1HB   ASN  80          2HB       ASN  80   6.059 -16.157   0.643
  646   2HB   ASN  80          1HB       ASN  80   7.103 -15.718   1.994
  647   1HD2  ASN  80          2HD2      ASN  80   3.300 -14.327   1.864
  648   2HD2  ASN  80          1HD2      ASN  80   3.907 -15.368   0.668
  649    H    ASP  81           H        ASP  81   8.205 -12.132  -0.373
  650    HA   ASP  81           HA       ASP  81   8.950 -11.374   2.415
  651   1HB   ASP  81          2HB       ASP  81  11.109 -10.530   1.628
  652   2HB   ASP  81          1HB       ASP  81  10.949 -12.238   1.236
  653    H    SER  82           H        SER  82   7.397 -10.413  -0.473
  654    HA   SER  82           HA       SER  82   6.619  -7.877   0.556
  655   1HB   SER  82          2HB       SER  82   7.909  -6.409  -1.028
  656   2HB   SER  82          1HB       SER  82   8.910  -7.162   0.208
  657    HG   SER  82           HG       SER  82   9.781  -7.333  -1.930
  658    H    ARG  83           H        ARG  83   7.161  -9.889  -2.304
  659    HA   ARG  83           HA       ARG  83   5.735  -8.596  -4.289
  660   1HB   ARG  83          2HB       ARG  83   6.249 -11.429  -3.609
  661   2HB   ARG  83          1HB       ARG  83   4.896 -11.156  -4.705
  662   1HG   ARG  83          2HG       ARG  83   7.363  -9.606  -5.282
  663   2HG   ARG  83          1HG       ARG  83   7.465 -11.347  -5.548
  664   1HD   ARG  83          2HD       ARG  83   5.066  -9.884  -6.584
  665   2HD   ARG  83          1HD       ARG  83   6.586  -9.738  -7.465
  666    HE   ARG  83           HE       ARG  83   6.218 -11.924  -8.242
  667   1HH1  ARG  83          2HH1      ARG  83   6.556 -13.393  -5.764
  668   2HH1  ARG  83          1HH1      ARG  83   4.993 -14.079  -5.468
  669   1HH2  ARG  83          1HH2      ARG  83   3.350 -11.943  -7.649
  670   2HH2  ARG  83          2HH2      ARG  83   3.178 -13.258  -6.535
  671    H    TRP  84           H        TRP  84   3.808  -7.628  -4.182
  672    HA   TRP  84           HA       TRP  84   1.430  -9.124  -3.525
  673   1HB   TRP  84          2HB       TRP  84   0.605  -7.826  -1.671
  674   2HB   TRP  84          1HB       TRP  84   2.206  -8.410  -1.247
  675    HD1  TRP  84           HD1      TRP  84   3.496  -6.011  -3.245
  676    HE1  TRP  84           HE1      TRP  84   3.743  -3.674  -2.171
  677    HE3  TRP  84           HE3      TRP  84   0.252  -6.496   0.657
  678    HZ2  TRP  84           HZ2      TRP  84   2.693  -2.210   0.046
  679    HZ3  TRP  84           HZ3      TRP  84  -0.110  -4.618   2.237
  680    HH2  TRP  84           HH2      TRP  84   1.107  -2.479   1.937
  681    H    GLU  85           H        GLU  85  -0.478  -8.096  -4.350
  682    HA   GLU  85           HA       GLU  85   0.140  -5.684  -6.014
  683   1HB   GLU  85          2HB       GLU  85  -1.810  -7.924  -6.623
  684   2HB   GLU  85          1HB       GLU  85  -1.458  -6.543  -7.661
  685   1HG   GLU  85          2HG       GLU  85   0.057  -7.974  -8.599
  686   2HG   GLU  85          1HG       GLU  85   1.059  -7.475  -7.236
  687    H    PHE  86           H        PHE  86  -1.948  -4.530  -6.680
  688    HA   PHE  86           HA       PHE  86  -3.899  -4.454  -4.421
  689   1HB   PHE  86          2HB       PHE  86  -2.400  -2.188  -5.736
  690   2HB   PHE  86          1HB       PHE  86  -3.969  -1.909  -4.980
  691    HD1  PHE  86           HD2      PHE  86  -0.702  -3.611  -4.254
  692    HD2  PHE  86           HD1      PHE  86  -4.018  -1.358  -2.715
  693    HE1  PHE  86           HE2      PHE  86   0.386  -3.528  -2.032
  694    HE2  PHE  86           HE1      PHE  86  -2.925  -1.273  -0.489
  695    HZ   PHE  86           HZ       PHE  86  -0.723  -2.359  -0.147
  696    H    GLU  87           H        GLU  87  -6.041  -4.166  -5.089
  697    HA   GLU  87           HA       GLU  87  -6.553  -3.557  -7.945
  698   1HB   GLU  87          2HB       GLU  87  -8.100  -5.522  -8.098
  699   2HB   GLU  87          1HB       GLU  87  -6.408  -5.986  -7.914
  700   1HG   GLU  87          2HG       GLU  87  -6.692  -6.642  -5.687
  701   2HG   GLU  87          1HG       GLU  87  -8.135  -5.651  -5.477
  702    H    ASN  88           H        ASN  88  -8.770  -2.921  -8.333
  703    HA   ASN  88           HA       ASN  88 -10.593  -2.637  -6.048
  704   1HB   ASN  88          2HB       ASN  88  -9.016  -0.670  -5.889
  705   2HB   ASN  88          1HB       ASN  88  -9.600  -0.151  -7.471
  706   1HD2  ASN  88          2HD2      ASN  88 -12.038   1.681  -5.656
  707   2HD2  ASN  88          1HD2      ASN  88 -10.646   1.776  -6.622
  708    H    GLU  89           H        GLU  89 -12.085  -3.790  -7.291
  709    HA   GLU  89           HA       GLU  89 -13.717  -2.313  -9.123
  710   1HB   GLU  89          2HB       GLU  89 -11.725  -2.711 -10.605
  711   2HB   GLU  89          1HB       GLU  89 -12.003  -4.443 -10.440
  712   1HG   GLU  89          2HG       GLU  89 -14.223  -4.221 -11.436
  713   2HG   GLU  89          1HG       GLU  89 -14.038  -2.467 -11.516
  714    H    ARG  90           H        ARG  90 -12.659  -5.738  -9.089
  715    HA   ARG  90           HA       ARG  90 -15.495  -6.521  -8.730
  716   1HB   ARG  90          2HB       ARG  90 -14.772  -8.773  -9.346
  717   2HB   ARG  90          1HB       ARG  90 -14.160  -7.617 -10.526
  718   1HG   ARG  90          2HG       ARG  90 -12.021  -7.585  -9.008
  719   2HG   ARG  90          1HG       ARG  90 -12.655  -9.106  -8.384
  720   1HD   ARG  90          2HD       ARG  90 -12.245  -8.540 -11.332
  721   2HD   ARG  90          1HD       ARG  90 -11.069  -9.381 -10.322
  722    HE   ARG  90           HE       ARG  90 -13.104 -10.984  -9.865
  723   1HH1  ARG  90          2HH1      ARG  90 -14.657  -9.453 -12.043
  724   2HH1  ARG  90          1HH1      ARG  90 -14.444 -10.518 -13.392
  725   1HH2  ARG  90          1HH2      ARG  90 -11.854 -12.293 -11.922
  726   2HH2  ARG  90          2HH2      ARG  90 -12.858 -12.126 -13.323
  727    H    HIS  91           H        HIS  91 -16.245  -7.062  -6.755
  728    HA   HIS  91           HA       HIS  91 -14.288  -7.515  -4.566
  729   1HB   HIS  91          2HB       HIS  91 -16.122  -5.815  -4.291
  730   2HB   HIS  91          1HB       HIS  91 -17.291  -7.131  -4.388
  731    HD1  HIS  91           HD1      HIS  91 -14.100  -7.884  -2.633
  732    HD2  HIS  91           HD2      HIS  91 -17.935  -6.614  -1.601
  733    HE1  HIS  91           HE1      HIS  91 -14.298  -8.169  -0.127
  734    H    ALA  92           HN       ALA  92 -16.971  -9.065  -6.262
  735    HA   ALA  92           HA       ALA  92 -17.698 -11.292  -6.286
  736   1HB   ALA  92          2HB       ALA  92 -14.804 -11.397  -5.688
  737   2HB   ALA  92          1HB       ALA  92 -15.706 -12.841  -5.229
  738   3HB   ALA  92          3HB       ALA  92 -15.735 -12.275  -6.900
   
  No H/Q in entry =         738
  Start of MODEL          22
 Raw file had  756 H/Q atoms
  Start of MODEL   22
    1   1H    ALA   1          1H        ALA   1 -15.241  16.059  -8.235
    2   2H    ALA   1          3H        ALA   1 -16.547  14.978  -8.206
    3   3H    ALA   1          2H        ALA   1 -16.815  16.636  -7.956
    4    HA   ALA   1           HA       ALA   1 -15.645  16.589  -5.882
    5   1HB   ALA   1          2HB       ALA   1 -18.077  15.898  -6.000
    6   2HB   ALA   1          1HB       ALA   1 -17.532  14.220  -6.005
    7   3HB   ALA   1          3HB       ALA   1 -17.201  15.251  -4.614
    8    H    ARG   2           H        ARG   2 -13.483  15.726  -6.888
    9    HA   ARG   2           HA       ARG   2 -13.003  12.932  -5.940
   10   1HB   ARG   2          2HB       ARG   2 -11.513  14.618  -7.973
   11   2HB   ARG   2          1HB       ARG   2 -10.980  13.028  -7.425
   12   1HG   ARG   2          2HG       ARG   2 -13.739  12.809  -8.158
   13   2HG   ARG   2          1HG       ARG   2 -12.906  13.655  -9.461
   14   1HD   ARG   2          2HD       ARG   2 -11.101  11.709  -8.995
   15   2HD   ARG   2          1HD       ARG   2 -12.565  10.863  -8.492
   16    HE   ARG   2           HE       ARG   2 -12.057  11.928 -11.229
   17   1HH1  ARG   2          2HH1      ARG   2 -14.883  11.578  -9.746
   18   2HH1  ARG   2          1HH1      ARG   2 -15.434  10.167 -10.587
   19   1HH2  ARG   2          1HH2      ARG   2 -12.342   9.469 -11.990
   20   2HH2  ARG   2          2HH2      ARG   2 -13.996   8.975 -11.857
   21    HA   PRO   3           HA       PRO   3 -10.342  14.863  -3.034
   22   1HB   PRO   3          2HB       PRO   3  -9.097  12.666  -1.971
   23   2HB   PRO   3          1HB       PRO   3 -10.774  13.110  -1.606
   24   1HG   PRO   3          2HG       PRO   3  -9.747  10.919  -3.327
   25   2HG   PRO   3          1HG       PRO   3 -11.290  11.040  -2.466
   26   1HD   PRO   3          2HD       PRO   3 -10.878  11.484  -5.235
   27   2HD   PRO   3          1HD       PRO   3 -12.342  11.872  -4.313
   28    H    ALA   4           H        ALA   4  -8.087  15.316  -2.589
   29    HA   ALA   4           HA       ALA   4  -6.386  15.305  -4.894
   30   1HB   ALA   4          2HB       ALA   4  -5.877  15.910  -1.976
   31   2HB   ALA   4          1HB       ALA   4  -4.627  16.067  -3.209
   32   3HB   ALA   4          3HB       ALA   4  -6.085  17.057  -3.299
   33    H    PHE   5           H        PHE   5  -6.985  12.869  -2.523
   34    HA   PHE   5           HA       PHE   5  -4.356  11.621  -2.671
   35   1HB   PHE   5          2HB       PHE   5  -5.869  11.294  -0.719
   36   2HB   PHE   5          1HB       PHE   5  -7.000  10.436  -1.763
   37    HD1  PHE   5           HD2      PHE   5  -3.492  10.377  -0.478
   38    HD2  PHE   5           HD1      PHE   5  -6.689   8.138  -2.279
   39    HE1  PHE   5           HE2      PHE   5  -2.202   8.281  -0.168
   40    HE2  PHE   5           HE1      PHE   5  -5.396   6.045  -1.971
   41    HZ   PHE   5           HZ       PHE   5  -3.153   6.115  -0.917
   42    H    VAL   6           H        VAL   6  -7.576  10.889  -4.083
   43    HA   VAL   6           HA       VAL   6  -6.717   8.642  -5.629
   44    HB   VAL   6           HB       VAL   6  -8.932  10.611  -6.291
   45   1HG1  VAL   6          1HG1      VAL   6  -8.043   7.990  -7.391
   46   2HG1  VAL   6          3HG1      VAL   6  -9.780   8.214  -7.196
   47   3HG1  VAL   6          2HG1      VAL   6  -8.854   9.330  -8.200
   48   1HG2  VAL   6          1HG2      VAL   6  -8.784   9.263  -3.979
   49   2HG2  VAL   6          3HG2      VAL   6 -10.312   9.476  -4.831
   50   3HG2  VAL   6          2HG2      VAL   6  -9.417   7.965  -4.992
   51    H    ASN   7           H        ASN   7  -6.932  12.114  -6.454
   52    HA   ASN   7           HA       ASN   7  -5.998  11.828  -9.158
   53   1HB   ASN   7          2HB       ASN   7  -5.730  14.179  -7.251
   54   2HB   ASN   7          1HB       ASN   7  -5.476  14.250  -8.994
   55   1HD2  ASN   7          1HD2      ASN   7  -7.504  13.231 -10.262
   56   2HD2  ASN   7          2HD2      ASN   7  -9.021  13.740  -9.699
   57    H    LYS   8           H        LYS   8  -4.403  12.202  -6.062
   58    HA   LYS   8           HA       LYS   8  -1.723  12.571  -7.031
   59   1HB   LYS   8          2HB       LYS   8  -2.270  13.189  -4.765
   60   2HB   LYS   8          1HB       LYS   8  -2.885  11.580  -4.408
   61   1HG   LYS   8          2HG       LYS   8  -0.152  11.390  -5.330
   62   2HG   LYS   8          1HG       LYS   8  -0.248  12.562  -4.019
   63   1HD   LYS   8          2HD       LYS   8  -0.367  10.869  -2.530
   64   2HD   LYS   8          1HD       LYS   8  -1.881  10.342  -3.263
   65   1HE   LYS   8          2HE       LYS   8  -0.525   9.105  -4.986
   66   2HE   LYS   8          1HE       LYS   8   0.919   9.500  -4.054
   67   1HZ   LYS   8          3HZ       LYS   8  -1.381   8.237  -2.725
   68   2HZ   LYS   8          2HZ       LYS   8  -0.305   7.281  -3.628
   69   3HZ   LYS   8          1HZ       LYS   8   0.262   8.185  -2.305
   70    H    LEU   9           H        LEU   9  -3.769   9.765  -6.630
   71    HA   LEU   9           HA       LEU   9  -1.625   7.804  -6.657
   72   1HB   LEU   9          2HB       LEU   9  -4.023   7.549  -5.723
   73   2HB   LEU   9          1HB       LEU   9  -4.505   7.279  -7.397
   74    HG   LEU   9           HG       LEU   9  -2.847   5.429  -7.543
   75   1HD1  LEU   9          1HD1      LEU   9  -2.416   6.193  -4.654
   76   2HD1  LEU   9          3HD1      LEU   9  -2.020   4.586  -5.261
   77   3HD1  LEU   9          2HD1      LEU   9  -1.208   6.003  -5.925
   78   1HD2  LEU   9          2HD2      LEU   9  -5.280   5.137  -6.793
   79   2HD2  LEU   9          1HD2      LEU   9  -4.173   3.835  -6.360
   80   3HD2  LEU   9          3HD2      LEU   9  -4.651   5.025  -5.149
   81    H    TRP  10           H        TRP  10  -3.670   9.342  -9.097
   82    HA   TRP  10           HA       TRP  10  -3.056   7.534 -11.258
   83   1HB   TRP  10          2HB       TRP  10  -3.853  10.450 -11.333
   84   2HB   TRP  10          1HB       TRP  10  -3.838   9.368 -12.719
   85    HD1  TRP  10           HD1      TRP  10  -6.508  10.553 -12.238
   86    HE1  TRP  10           HE1      TRP  10  -8.519   9.228 -11.341
   87    HE3  TRP  10           HE3      TRP  10  -4.091   6.651  -9.921
   88    HZ2  TRP  10           HZ2      TRP  10  -9.052   6.862  -9.860
   89    HZ3  TRP  10           HZ3      TRP  10  -5.395   4.892  -8.784
   90    HH2  TRP  10           HH2      TRP  10  -7.870   4.988  -8.749
   91    H    SER  11           H        SER  11  -1.024   9.785  -9.671
   92    HA   SER  11           HA       SER  11   0.659  10.053 -12.125
   93   1HB   SER  11          2HB       SER  11   0.147  12.214 -11.284
   94   2HB   SER  11          1HB       SER  11   0.432  11.720  -9.617
   95    HG   SER  11           HG       SER  11   2.339  12.544 -10.030
   96    H    MET  12           H        MET  12   0.678   8.944  -8.769
   97    HA   MET  12           HA       MET  12   3.561   8.457  -8.769
   98   1HB   MET  12          2HB       MET  12   3.196   7.444  -6.581
   99   2HB   MET  12          1HB       MET  12   2.308   8.959  -6.678
  100   1HG   MET  12          2HG       MET  12   0.517   7.756  -5.975
  101   2HG   MET  12          1HG       MET  12   0.453   7.151  -7.628
  102   1HE   MET  12          1HE       MET  12   1.779   6.826  -4.141
  103   2HE   MET  12          3HE       MET  12   2.395   5.176  -3.973
  104   3HE   MET  12          2HE       MET  12   3.302   6.370  -4.900
  105    H    VAL  13           H        VAL  13   0.675   6.633  -9.554
  106    HA   VAL  13           HA       VAL  13   2.031   4.048  -9.517
  107    HB   VAL  13           HB       VAL  13  -0.548   4.656 -10.973
  108   1HG1  VAL  13          1HG1      VAL  13   0.903   2.262  -9.944
  109   2HG1  VAL  13          3HG1      VAL  13  -0.859   2.235  -9.886
  110   3HG1  VAL  13          2HG1      VAL  13  -0.031   2.458 -11.427
  111   1HG2  VAL  13          2HG2      VAL  13  -0.180   5.253  -8.286
  112   2HG2  VAL  13          1HG2      VAL  13  -1.722   4.860  -9.041
  113   3HG2  VAL  13          3HG2      VAL  13  -0.791   3.603  -8.231
  114    H    ASN  14           H        ASN  14   1.483   6.581 -11.881
  115    HA   ASN  14           HA       ASN  14   1.865   5.096 -14.266
  116   1HB   ASN  14          2HB       ASN  14   2.235   7.956 -13.484
  117   2HB   ASN  14          1HB       ASN  14   2.949   7.421 -15.006
  118   1HD2  ASN  14          2HD2      ASN  14  -1.096   6.751 -14.760
  119   2HD2  ASN  14          1HD2      ASN  14  -0.093   6.286 -13.472
  120    H    ASP  15           H        ASP  15   4.490   7.344 -13.420
  121    HA   ASP  15           HA       ASP  15   6.519   5.553 -12.681
  122   1HB   ASP  15          2HB       ASP  15   7.712   5.258 -14.903
  123   2HB   ASP  15          1HB       ASP  15   6.253   4.293 -14.713
  124    H    LYS  16           H        LYS  16   5.642   8.439 -14.490
  125    HA   LYS  16           HA       LYS  16   8.051   9.701 -14.990
  126   1HB   LYS  16          2HB       LYS  16   5.573  10.540 -15.206
  127   2HB   LYS  16          1HB       LYS  16   5.892  11.286 -13.640
  128   1HG   LYS  16          2HG       LYS  16   7.537  12.696 -14.495
  129   2HG   LYS  16          1HG       LYS  16   7.884  11.631 -15.858
  130   1HD   LYS  16          2HD       LYS  16   5.884  12.264 -16.991
  131   2HD   LYS  16          1HD       LYS  16   5.236  13.054 -15.553
  132   1HE   LYS  16          2HE       LYS  16   7.823  13.970 -16.801
  133   2HE   LYS  16          1HE       LYS  16   6.268  14.562 -17.386
  134   1HZ   LYS  16          2HZ       LYS  16   5.765  15.169 -15.034
  135   2HZ   LYS  16          1HZ       LYS  16   7.382  14.817 -14.650
  136   3HZ   LYS  16          3HZ       LYS  16   7.025  16.065 -15.741
  137    H    SER  17           H        SER  17   6.316  10.214 -11.870
  138    HA   SER  17           HA       SER  17   8.459  11.561 -10.582
  139   1HB   SER  17          2HB       SER  17   6.035  10.086  -9.658
  140   2HB   SER  17          1HB       SER  17   7.282  10.423  -8.463
  141    HG   SER  17           HG       SER  17   6.006  12.199  -8.473
  142    H    ASN  18           H        ASN  18   7.515   8.138 -10.193
  143    HA   ASN  18           HA       ASN  18  10.342   7.537  -9.394
  144   1HB   ASN  18          2HB       ASN  18   9.224   5.392  -8.445
  145   2HB   ASN  18          1HB       ASN  18   9.005   6.898  -7.558
  146   1HD2  ASN  18          2HD2      ASN  18   5.514   7.109  -8.236
  147   2HD2  ASN  18          1HD2      ASN  18   6.881   7.971  -7.723
  148    H    GLU  19           H        GLU  19  10.715   7.518 -11.796
  149    HA   GLU  19           HA       GLU  19   9.459   5.464 -13.417
  150   1HB   GLU  19          2HB       GLU  19  10.525   7.635 -14.252
  151   2HB   GLU  19          1HB       GLU  19  12.082   6.845 -14.014
  152   1HG   GLU  19          2HG       GLU  19   9.919   5.468 -15.588
  153   2HG   GLU  19          1HG       GLU  19  10.932   6.688 -16.359
  154    H    LYS  20           H        LYS  20   9.802   3.591 -12.129
  155    HA   LYS  20           HA       LYS  20  11.704   1.753 -12.850
  156   1HB   LYS  20          2HB       LYS  20  13.519   3.171 -11.959
  157   2HB   LYS  20          1HB       LYS  20  12.703   3.276 -10.403
  158   1HG   LYS  20          2HG       LYS  20  13.507   1.258  -9.745
  159   2HG   LYS  20          1HG       LYS  20  13.103   0.507 -11.287
  160   1HD   LYS  20          2HD       LYS  20  15.484   2.343 -10.950
  161   2HD   LYS  20          1HD       LYS  20  15.589   0.596 -10.726
  162   1HE   LYS  20          2HE       LYS  20  14.411   1.791 -13.234
  163   2HE   LYS  20          1HE       LYS  20  16.145   1.512 -13.073
  164   1HZ   LYS  20          1HZ       LYS  20  14.265  -0.652 -12.425
  165   2HZ   LYS  20          3HZ       LYS  20  14.623  -0.326 -14.051
  166   3HZ   LYS  20          2HZ       LYS  20  15.869  -0.748 -12.975
  167    H    PHE  21           H        PHE  21   9.828   3.139 -10.215
  168    HA   PHE  21           HA       PHE  21   9.354   0.400  -9.128
  169   1HB   PHE  21          2HB       PHE  21   8.735   3.078  -7.856
  170   2HB   PHE  21          1HB       PHE  21   8.651   1.497  -7.083
  171    HD1  PHE  21           HD1      PHE  21  10.772   0.142  -6.814
  172    HD2  PHE  21           HD2      PHE  21  10.791   4.269  -8.015
  173    HE1  PHE  21           HE1      PHE  21  13.166   0.313  -6.190
  174    HE2  PHE  21           HE2      PHE  21  13.184   4.437  -7.389
  175    HZ   PHE  21           HZ       PHE  21  14.372   2.460  -6.477
  176    H    ILE  22           H        ILE  22   7.195  -0.159  -8.519
  177    HA   ILE  22           HA       ILE  22   4.980  -0.558  -9.027
  178    HB   ILE  22           HB       ILE  22   4.897   1.542  -7.616
  179   1HG1  ILE  22          2HG1      ILE  22   2.620   1.320  -9.588
  180   2HG1  ILE  22          1HG1      ILE  22   2.938   0.090  -8.365
  181   1HG2  ILE  22          3HG2      ILE  22   4.677   2.803 -10.350
  182   2HG2  ILE  22          2HG2      ILE  22   3.895   3.532  -8.952
  183   3HG2  ILE  22          1HG2      ILE  22   5.644   3.316  -8.969
  184   1HD1  ILE  22          3HD1      ILE  22   2.713   2.991  -7.591
  185   2HD1  ILE  22          2HD1      ILE  22   1.266   2.000  -7.785
  186   3HD1  ILE  22          1HD1      ILE  22   2.483   1.559  -6.586
  187    H    HIS  23           H        HIS  23   3.216  -0.339 -10.598
  188    HA   HIS  23           HA       HIS  23   3.396   1.013 -13.075
  189   1HB   HIS  23          2HB       HIS  23   4.048  -0.911 -14.557
  190   2HB   HIS  23          1HB       HIS  23   5.377  -0.326 -13.558
  191    HD1  HIS  23           HD1      HIS  23   3.487  -3.340 -14.358
  192    HD2  HIS  23           HD2      HIS  23   5.764  -2.010 -11.130
  193    HE1  HIS  23           HE1      HIS  23   4.031  -5.388 -12.975
  194    H    TRP  24           H        TRP  24   1.646   0.310 -14.524
  195    HA   TRP  24           HA       TRP  24  -0.578  -0.846 -13.035
  196   1HB   TRP  24          2HB       TRP  24  -0.267   0.136 -15.879
  197   2HB   TRP  24          1HB       TRP  24  -1.772  -0.564 -15.278
  198    HD1  TRP  24           HD1      TRP  24   0.415   2.518 -15.038
  199    HE1  TRP  24           HE1      TRP  24  -0.820   4.338 -13.694
  200    HE3  TRP  24           HE3      TRP  24  -3.570  -0.190 -13.345
  201    HZ2  TRP  24           HZ2      TRP  24  -3.189   4.611 -12.113
  202    HZ3  TRP  24           HZ3      TRP  24  -5.301   0.874 -11.925
  203    HH2  TRP  24           HH2      TRP  24  -5.116   3.269 -11.307
  204    H    SER  25           H        SER  25  -1.952  -2.566 -14.288
  205    HA   SER  25           HA       SER  25  -0.273  -4.937 -14.556
  206   1HB   SER  25          2HB       SER  25  -2.344  -6.152 -14.707
  207   2HB   SER  25          1HB       SER  25  -2.574  -4.893 -13.497
  208    HG   SER  25           HG       SER  25  -3.510  -3.619 -15.199
  209    H    THR  26           H        THR  26  -1.487  -6.410 -16.543
  210    HA   THR  26           HA       THR  26  -1.003  -4.807 -19.024
  211    HB   THR  26           HB       THR  26  -0.318  -7.736 -18.776
  212    HG1  THR  26           HG1      THR  26   1.280  -5.471 -18.191
  213   1HG2  THR  26          1HG2      THR  26  -0.326  -5.840 -20.888
  214   2HG2  THR  26          3HG2      THR  26   1.364  -6.155 -20.494
  215   3HG2  THR  26          2HG2      THR  26   0.294  -7.489 -20.922
  216    H    SER  27           H        SER  27  -3.506  -5.791 -17.504
  217    HA   SER  27           HA       SER  27  -5.115  -6.359 -19.792
  218   1HB   SER  27          2HB       SER  27  -5.723  -8.761 -18.838
  219   2HB   SER  27          1HB       SER  27  -4.394  -8.555 -19.975
  220    HG   SER  27           HG       SER  27  -4.364  -9.053 -17.225
  221    H    GLY  28           H        GLY  28  -6.245  -4.660 -18.617
  222   1HA   GLY  28          2HA       GLY  28  -8.514  -4.699 -17.499
  223   2HA   GLY  28          1HA       GLY  28  -7.760  -5.682 -16.244
  224    H    GLU  29           H        GLU  29  -7.790  -4.361 -14.466
  225    HA   GLU  29           HA       GLU  29  -6.217  -1.851 -14.629
  226   1HB   GLU  29          2HB       GLU  29  -9.125  -2.064 -14.007
  227   2HB   GLU  29          1HB       GLU  29  -8.173  -0.959 -13.012
  228   1HG   GLU  29          2HG       GLU  29  -7.941  -0.922 -16.018
  229   2HG   GLU  29          1HG       GLU  29  -9.225  -0.031 -15.200
  230    H    SER  30           H        SER  30  -4.673  -3.141 -13.425
  231    HA   SER  30           HA       SER  30  -5.328  -3.255 -10.522
  232   1HB   SER  30          2HB       SER  30  -5.223  -5.540 -12.079
  233   2HB   SER  30          1HB       SER  30  -3.588  -5.448 -11.433
  234    HG   SER  30           HG       SER  30  -4.537  -6.333  -9.761
  235    H    ILE  31           H        ILE  31  -3.487  -2.906  -9.179
  236    HA   ILE  31           HA       ILE  31  -1.124  -1.815 -10.640
  237    HB   ILE  31           HB       ILE  31  -1.881  -1.349  -7.740
  238   1HG1  ILE  31          2HG1      ILE  31  -2.335   0.551 -10.049
  239   2HG1  ILE  31          1HG1      ILE  31  -3.591  -0.551  -9.486
  240   1HG2  ILE  31          3HG2      ILE  31   0.089  -0.103  -9.662
  241   2HG2  ILE  31          2HG2      ILE  31  -0.406   0.694  -8.169
  242   3HG2  ILE  31          1HG2      ILE  31   0.426  -0.861  -8.106
  243   1HD1  ILE  31          3HD1      ILE  31  -2.150   1.372  -7.645
  244   2HD1  ILE  31          2HD1      ILE  31  -3.660   1.774  -8.462
  245   3HD1  ILE  31          1HD1      ILE  31  -3.612   0.445  -7.304
  246    H    VAL  32           H        VAL  32   0.843  -2.797 -10.383
  247    HA   VAL  32           HA       VAL  32   0.974  -5.108  -8.488
  248    HB   VAL  32           HB       VAL  32   2.608  -4.574 -10.984
  249   1HG1  VAL  32          1HG1      VAL  32   2.484  -6.851  -9.009
  250   2HG1  VAL  32          3HG1      VAL  32   3.055  -7.099 -10.659
  251   3HG1  VAL  32          2HG1      VAL  32   3.902  -5.980  -9.590
  252   1HG2  VAL  32          3HG2      VAL  32   0.144  -5.029 -11.342
  253   2HG2  VAL  32          2HG2      VAL  32   1.224  -6.215 -12.075
  254   3HG2  VAL  32          1HG2      VAL  32   0.392  -6.595 -10.567
  255    H    VAL  33           H        VAL  33   3.014  -5.456  -7.375
  256    HA   VAL  33           HA       VAL  33   4.785  -3.056  -7.227
  257    HB   VAL  33           HB       VAL  33   3.694  -4.622  -4.868
  258   1HG1  VAL  33          1HG1      VAL  33   5.701  -2.366  -5.091
  259   2HG1  VAL  33          3HG1      VAL  33   4.854  -2.730  -3.588
  260   3HG1  VAL  33          2HG1      VAL  33   5.916  -3.935  -4.315
  261   1HG2  VAL  33          1HG2      VAL  33   3.102  -1.896  -6.025
  262   2HG2  VAL  33          3HG2      VAL  33   1.965  -3.171  -5.586
  263   3HG2  VAL  33          2HG2      VAL  33   2.792  -2.255  -4.327
  264    HA   PRO  34           HA       PRO  34   7.306  -6.792  -7.790
  265   1HB   PRO  34          2HB       PRO  34   9.463  -5.532  -8.923
  266   2HB   PRO  34          1HB       PRO  34   8.068  -6.105  -9.853
  267   1HG   PRO  34          2HG       PRO  34   8.804  -3.324  -9.097
  268   2HG   PRO  34          1HG       PRO  34   7.851  -3.900 -10.475
  269   1HD   PRO  34          2HD       PRO  34   6.812  -2.759  -8.110
  270   2HD   PRO  34          1HD       PRO  34   5.883  -3.637  -9.339
  271    H    ASN  35           H        ASN  35   8.337  -3.589  -6.644
  272    HA   ASN  35           HA       ASN  35   9.826  -4.936  -4.437
  273   1HB   ASN  35          2HB       ASN  35  10.859  -3.046  -6.470
  274   2HB   ASN  35          1HB       ASN  35  11.298  -2.661  -4.807
  275   1HD2  ASN  35          2HD2      ASN  35  13.991  -4.920  -5.694
  276   2HD2  ASN  35          1HD2      ASN  35  13.551  -3.284  -5.801
  277    H    ARG  36           H        ARG  36   8.228  -4.444  -2.916
  278    HA   ARG  36           HA       ARG  36   7.148  -1.718  -2.718
  279   1HB   ARG  36          2HB       ARG  36   5.815  -3.820  -2.212
  280   2HB   ARG  36          1HB       ARG  36   6.807  -4.012  -0.767
  281   1HG   ARG  36          2HG       ARG  36   5.847  -1.293  -0.888
  282   2HG   ARG  36          1HG       ARG  36   4.484  -2.395  -1.081
  283   1HD   ARG  36          2HD       ARG  36   4.678  -2.136   1.261
  284   2HD   ARG  36          1HD       ARG  36   5.478  -3.673   0.935
  285    HE   ARG  36           HE       ARG  36   7.138  -1.208   1.075
  286   1HH1  ARG  36          1HH2      ARG  36   7.569  -4.412   1.156
  287   2HH1  ARG  36          2HH2      ARG  36   8.271  -4.518   2.735
  288   1HH2  ARG  36          1HH1      ARG  36   8.197  -2.740   4.128
  289   2HH2  ARG  36          2HH1      ARG  36   7.436  -1.270   3.616
  290    H    GLU  37           H        GLU  37   9.377  -3.803  -0.909
  291    HA   GLU  37           HA       GLU  37   9.784  -2.035   1.303
  292   1HB   GLU  37          2HB       GLU  37  10.472  -4.448   1.229
  293   2HB   GLU  37          1HB       GLU  37  11.781  -3.995   0.138
  294   1HG   GLU  37          2HG       GLU  37  13.046  -3.168   1.823
  295   2HG   GLU  37          1HG       GLU  37  11.682  -2.306   2.535
  296    H    ARG  38           H        ARG  38  11.179  -2.127  -1.925
  297    HA   ARG  38           HA       ARG  38  13.213  -0.106  -1.226
  298   1HB   ARG  38          2HB       ARG  38  13.135  -2.105  -3.120
  299   2HB   ARG  38          1HB       ARG  38  12.753  -0.678  -4.084
  300   1HG   ARG  38          2HG       ARG  38  14.763   0.439  -3.381
  301   2HG   ARG  38          1HG       ARG  38  15.089  -0.789  -2.160
  302   1HD   ARG  38          2HD       ARG  38  16.304  -1.917  -3.681
  303   2HD   ARG  38          1HD       ARG  38  14.837  -2.172  -4.624
  304    HE   ARG  38           HE       ARG  38  15.380  -0.101  -5.867
  305   1HH1  ARG  38          1HH2      ARG  38  17.153   1.497  -4.372
  306   2HH1  ARG  38          2HH2      ARG  38  18.743   1.024  -4.874
  307   1HH2  ARG  38          2HH1      ARG  38  17.700  -1.976  -6.267
  308   2HH2  ARG  38          1HH1      ARG  38  19.052  -0.943  -5.946
  309    H    PHE  39           H        PHE  39  10.210  -0.344  -3.102
  310    HA   PHE  39           HA       PHE  39  10.185   2.279  -4.196
  311   1HB   PHE  39          2HB       PHE  39   8.572   0.756  -5.041
  312   2HB   PHE  39          1HB       PHE  39   8.025   0.303  -3.431
  313    HD1  PHE  39           HD1      PHE  39   8.076   3.135  -5.872
  314    HD2  PHE  39           HD2      PHE  39   6.225   1.430  -2.393
  315    HE1  PHE  39           HE1      PHE  39   6.287   4.844  -5.990
  316    HE2  PHE  39           HE2      PHE  39   4.434   3.138  -2.512
  317    HZ   PHE  39           HZ       PHE  39   4.469   4.845  -4.309
  318    H    VAL  40           H        VAL  40   8.203   1.231  -1.417
  319    HA   VAL  40           HA       VAL  40   7.467   3.719  -0.416
  320    HB   VAL  40           HB       VAL  40   8.211   1.303   1.261
  321   1HG1  VAL  40          2HG1      VAL  40   6.575   3.781   1.720
  322   2HG1  VAL  40          1HG1      VAL  40   6.165   2.291   2.567
  323   3HG1  VAL  40          3HG1      VAL  40   7.757   3.019   2.783
  324   1HG2  VAL  40          1HG2      VAL  40   5.844   1.941  -0.474
  325   2HG2  VAL  40          3HG2      VAL  40   6.697   0.412  -0.277
  326   3HG2  VAL  40          2HG2      VAL  40   5.613   0.983   0.989
  327    H    GLN  41           H        GLN  41  10.516   2.009   0.136
  328    HA   GLN  41           HA       GLN  41  11.552   3.603   2.225
  329   1HB   GLN  41          2HB       GLN  41  12.574   1.661   0.312
  330   2HB   GLN  41          1HB       GLN  41  13.763   2.921   0.637
  331   1HG   GLN  41          2HG       GLN  41  12.341   1.888   3.024
  332   2HG   GLN  41          1HG       GLN  41  13.405   0.730   2.225
  333   1HE2  GLN  41          2HE2      GLN  41  16.346   2.842   2.776
  334   2HE2  GLN  41          1HE2      GLN  41  15.644   1.923   1.535
  335    H    GLU  42           H        GLU  42  12.214   4.030  -1.297
  336    HA   GLU  42           HA       GLU  42  13.017   6.835  -0.633
  337   1HB   GLU  42          2HB       GLU  42  13.891   4.998  -2.875
  338   2HB   GLU  42          1HB       GLU  42  14.301   6.712  -2.805
  339   1HG   GLU  42          2HG       GLU  42  15.112   6.099  -0.366
  340   2HG   GLU  42          1HG       GLU  42  15.221   4.472  -1.040
  341    H    VAL  43           H        VAL  43  10.259   6.213  -1.045
  342    HA   VAL  43           HA       VAL  43   9.747   8.000  -3.333
  343    HB   VAL  43           HB       VAL  43   8.485   5.241  -3.227
  344   1HG1  VAL  43          2HG1      VAL  43   8.002   7.721  -4.818
  345   2HG1  VAL  43          1HG1      VAL  43   7.918   6.183  -5.678
  346   3HG1  VAL  43          3HG1      VAL  43   6.862   6.482  -4.297
  347   1HG2  VAL  43          3HG2      VAL  43  10.640   6.446  -4.987
  348   2HG2  VAL  43          2HG2      VAL  43  10.749   4.991  -3.995
  349   3HG2  VAL  43          1HG2      VAL  43   9.736   5.002  -5.439
  350    H    LEU  44           H        LEU  44   8.352   6.060  -0.674
  351    HA   LEU  44           HA       LEU  44   5.828   7.435  -0.658
  352   1HB   LEU  44          2HB       LEU  44   6.204   5.236   0.412
  353   2HB   LEU  44          1HB       LEU  44   7.235   6.004   1.615
  354    HG   LEU  44           HG       LEU  44   5.368   7.328   2.447
  355   1HD1  LEU  44          3HD1      LEU  44   3.838   6.055   0.157
  356   2HD1  LEU  44          2HD1      LEU  44   3.053   6.870   1.508
  357   3HD1  LEU  44          1HD1      LEU  44   4.117   7.775   0.431
  358   1HD2  LEU  44          2HD2      LEU  44   4.700   4.396   2.046
  359   2HD2  LEU  44          1HD2      LEU  44   5.577   5.107   3.401
  360   3HD2  LEU  44          3HD2      LEU  44   3.860   5.451   3.184
  361    HA   PRO  45           HA       PRO  45   7.682  10.102   2.859
  362   1HB   PRO  45          2HB       PRO  45  10.400  10.487   2.882
  363   2HB   PRO  45          1HB       PRO  45   9.569   9.290   3.889
  364   1HG   PRO  45          2HG       PRO  45  11.219   8.872   1.454
  365   2HG   PRO  45          1HG       PRO  45  10.885   7.759   2.792
  366   1HD   PRO  45          2HD       PRO  45   9.674   7.707   0.243
  367   2HD   PRO  45          1HD       PRO  45   9.140   6.809   1.674
  368    H    LYS  46           H        LYS  46   9.137   9.916  -0.326
  369    HA   LYS  46           HA       LYS  46   9.849  12.682  -0.618
  370   1HB   LYS  46          2HB       LYS  46  10.077  10.409  -2.183
  371   2HB   LYS  46          1HB       LYS  46   8.876  11.351  -3.062
  372   1HG   LYS  46          2HG       LYS  46  10.365  12.998  -3.606
  373   2HG   LYS  46          1HG       LYS  46  11.228  12.868  -2.072
  374   1HD   LYS  46          2HD       LYS  46  12.698  11.323  -2.880
  375   2HD   LYS  46          1HD       LYS  46  11.460  10.498  -3.827
  376   1HE   LYS  46          2HE       LYS  46  11.578  12.783  -5.230
  377   2HE   LYS  46          1HE       LYS  46  13.220  12.783  -4.585
  378   1HZ   LYS  46          2HZ       LYS  46  13.407  10.453  -5.400
  379   2HZ   LYS  46          1HZ       LYS  46  11.916  10.656  -6.189
  380   3HZ   LYS  46          3HZ       LYS  46  13.245  11.611  -6.632
  381    H    TYR  47           H        TYR  47   6.819  10.937  -0.831
  382    HA   TYR  47           HA       TYR  47   5.393  13.166  -2.099
  383   1HB   TYR  47          2HB       TYR  47   4.627  10.444  -1.064
  384   2HB   TYR  47          1HB       TYR  47   3.385  11.625  -1.477
  385    HD1  TYR  47           HD2      TYR  47   6.644  10.455  -2.974
  386    HD2  TYR  47           HD1      TYR  47   2.496  11.385  -3.600
  387    HE1  TYR  47           HE2      TYR  47   6.867   9.849  -5.371
  388    HE2  TYR  47           HE1      TYR  47   2.724  10.783  -5.993
  389    HH   TYR  47           HH       TYR  47   5.235   9.025  -7.214
  390    H    PHE  48           H        PHE  48   4.976  11.439   1.030
  391    HA   PHE  48           HA       PHE  48   3.748  13.924   2.132
  392   1HB   PHE  48          2HB       PHE  48   3.820  11.171   3.396
  393   2HB   PHE  48          1HB       PHE  48   2.790  12.528   3.848
  394    HD1  PHE  48           HD1      PHE  48   1.276  13.494   1.886
  395    HD2  PHE  48           HD2      PHE  48   2.963   9.542   1.965
  396    HE1  PHE  48           HE1      PHE  48  -0.437  12.728   0.262
  397    HE2  PHE  48           HE2      PHE  48   1.251   8.778   0.342
  398    HZ   PHE  48           HZ       PHE  48  -0.448  10.369  -0.508
  399    H    LYS  49           H        LYS  49   4.272  14.247   4.571
  400    HA   LYS  49           HA       LYS  49   7.217  14.300   4.819
  401   1HB   LYS  49          2HB       LYS  49   6.849  15.825   6.692
  402   2HB   LYS  49          1HB       LYS  49   5.891  16.345   5.313
  403   1HG   LYS  49          2HG       LYS  49   3.925  15.110   6.319
  404   2HG   LYS  49          1HG       LYS  49   4.907  14.866   7.764
  405   1HD   LYS  49          2HD       LYS  49   5.273  17.473   7.593
  406   2HD   LYS  49          1HD       LYS  49   3.790  17.417   6.640
  407   1HE   LYS  49          2HE       LYS  49   3.663  15.837   9.124
  408   2HE   LYS  49          1HE       LYS  49   3.880  17.568   9.387
  409   1HZ   LYS  49          2HZ       LYS  49   2.014  17.903   7.782
  410   2HZ   LYS  49          1HZ       LYS  49   1.727  16.228   7.850
  411   3HZ   LYS  49          3HZ       LYS  49   1.569  17.173   9.249
  412    H    HIS  50           H        HIS  50   4.403  13.081   6.598
  413    HA   HIS  50           HA       HIS  50   6.218  11.125   7.939
  414   1HB   HIS  50          2HB       HIS  50   4.121  12.909   9.171
  415   2HB   HIS  50          1HB       HIS  50   4.557  11.377   9.927
  416    HD1  HIS  50           HD1      HIS  50   7.224  11.081  10.421
  417    HD2  HIS  50           HD2      HIS  50   5.893  14.974   9.744
  418    HE1  HIS  50           HE1      HIS  50   9.036  12.620  11.293
  419    H    SER  51           H        SER  51   5.355   9.828   6.062
  420    HA   SER  51           HA       SER  51   2.748   8.581   6.820
  421   1HB   SER  51          2HB       SER  51   2.628  10.143   4.776
  422   2HB   SER  51          1HB       SER  51   3.616   8.944   3.948
  423    HG   SER  51           HG       SER  51   1.035   8.910   4.217
  424    H    ASN  52           H        ASN  52   2.622   6.319   6.323
  425    HA   ASN  52           HA       ASN  52   5.164   5.055   5.416
  426   1HB   ASN  52          2HB       ASN  52   3.968   4.924   8.075
  427   2HB   ASN  52          1HB       ASN  52   4.142   3.318   7.366
  428   1HD2  ASN  52          2HD2      ASN  52   7.785   3.824   6.972
  429   2HD2  ASN  52          1HD2      ASN  52   6.481   3.374   5.983
  430    H    PHE  53           H        PHE  53   4.785   2.681   4.895
  431    HA   PHE  53           HA       PHE  53   2.859   2.318   2.913
  432   1HB   PHE  53          2HB       PHE  53   3.216  -0.136   3.246
  433   2HB   PHE  53          1HB       PHE  53   4.721   0.779   3.168
  434    HD1  PHE  53           HD2      PHE  53   2.369  -0.991   5.409
  435    HD2  PHE  53           HD1      PHE  53   6.144   1.038   5.111
  436    HE1  PHE  53           HE2      PHE  53   3.004  -1.841   7.651
  437    HE2  PHE  53           HE1      PHE  53   6.777   0.188   7.352
  438    HZ   PHE  53           HZ       PHE  53   5.208  -1.253   8.622
  439    H    ALA  54           H        ALA  54   2.499   1.744   6.383
  440    HA   ALA  54           HA       ALA  54   0.024   0.325   6.299
  441   1HB   ALA  54          3HB       ALA  54   1.575   0.687   8.305
  442   2HB   ALA  54          2HB       ALA  54   0.823   2.274   8.467
  443   3HB   ALA  54          1HB       ALA  54  -0.154   0.814   8.626
  444    H    SER  55           H        SER  55   0.688   3.816   6.640
  445    HA   SER  55           HA       SER  55  -2.044   4.647   6.762
  446   1HB   SER  55          2HB       SER  55  -0.081   6.078   7.357
  447   2HB   SER  55          1HB       SER  55   0.326   6.181   5.647
  448    HG   SER  55           HG       SER  55  -1.137   7.844   6.788
  449    H    PHE  56           H        PHE  56   0.112   3.957   4.067
  450    HA   PHE  56           HA       PHE  56  -1.449   5.089   1.970
  451   1HB   PHE  56          2HB       PHE  56   0.918   4.243   1.775
  452   2HB   PHE  56          1HB       PHE  56   0.277   2.601   1.813
  453    HD1  PHE  56           HD2      PHE  56  -1.001   5.703   0.142
  454    HD2  PHE  56           HD1      PHE  56   0.504   1.711  -0.350
  455    HE1  PHE  56           HE2      PHE  56  -1.455   5.834  -2.292
  456    HE2  PHE  56           HE1      PHE  56   0.050   1.843  -2.785
  457    HZ   PHE  56           HZ       PHE  56  -0.927   3.902  -3.754
  458    H    VAL  57           H        VAL  57  -1.445   1.827   3.373
  459    HA   VAL  57           HA       VAL  57  -3.449   0.737   1.645
  460    HB   VAL  57           HB       VAL  57  -2.816  -0.062   4.502
  461   1HG1  VAL  57          1HG1      VAL  57  -4.913  -0.936   3.136
  462   2HG1  VAL  57          3HG1      VAL  57  -3.700  -1.933   2.332
  463   3HG1  VAL  57          2HG1      VAL  57  -3.929  -2.057   4.076
  464   1HG2  VAL  57          2HG2      VAL  57  -0.980   0.055   2.521
  465   2HG2  VAL  57          1HG2      VAL  57  -0.974  -1.211   3.748
  466   3HG2  VAL  57          3HG2      VAL  57  -1.686  -1.519   2.164
  467    H    ARG  58           H        ARG  58  -3.636   2.586   4.653
  468    HA   ARG  58           HA       ARG  58  -6.388   2.108   5.244
  469   1HB   ARG  58          2HB       ARG  58  -4.616   3.298   6.689
  470   2HB   ARG  58          1HB       ARG  58  -5.006   4.743   5.754
  471   1HG   ARG  58          2HG       ARG  58  -6.588   5.022   7.390
  472   2HG   ARG  58          1HG       ARG  58  -7.509   3.913   6.373
  473   1HD   ARG  58          2HD       ARG  58  -6.150   2.095   7.794
  474   2HD   ARG  58          1HD       ARG  58  -6.136   3.404   8.976
  475    HE   ARG  58           HE       ARG  58  -8.422   1.795   8.309
  476   1HH1  ARG  58          1HH2      ARG  58  -7.527   4.025  10.481
  477   2HH1  ARG  58          2HH2      ARG  58  -8.988   4.955  10.477
  478   1HH2  ARG  58          2HH1      ARG  58 -10.273   3.422   7.646
  479   2HH2  ARG  58          1HH1      ARG  58 -10.542   4.614   8.873
  480    H    GLN  59           H        GLN  59  -4.885   4.797   3.408
  481    HA   GLN  59           HA       GLN  59  -7.313   6.093   2.674
  482   1HB   GLN  59          2HB       GLN  59  -4.561   5.988   1.453
  483   2HB   GLN  59          1HB       GLN  59  -5.868   6.835   0.638
  484   1HG   GLN  59          2HG       GLN  59  -4.487   8.332   2.083
  485   2HG   GLN  59          1HG       GLN  59  -6.187   8.304   2.542
  486   1HE2  GLN  59          2HE2      GLN  59  -3.388   7.142   5.204
  487   2HE2  GLN  59          1HE2      GLN  59  -2.980   7.795   3.692
  488    H    LEU  60           H        LEU  60  -5.442   3.573   0.985
  489    HA   LEU  60           HA       LEU  60  -7.055   3.421  -1.351
  490   1HB   LEU  60          2HB       LEU  60  -5.383   1.338   0.065
  491   2HB   LEU  60          1HB       LEU  60  -6.140   1.066  -1.496
  492    HG   LEU  60           HG       LEU  60  -4.274   3.378  -0.932
  493   1HD1  LEU  60          2HD1      LEU  60  -3.537   0.705  -1.044
  494   2HD1  LEU  60          1HD1      LEU  60  -3.312   1.243  -2.708
  495   3HD1  LEU  60          3HD1      LEU  60  -2.480   2.072  -1.393
  496   1HD2  LEU  60          1HD2      LEU  60  -5.744   2.315  -3.321
  497   2HD2  LEU  60          3HD2      LEU  60  -5.494   3.986  -2.816
  498   3HD2  LEU  60          2HD2      LEU  60  -4.176   3.085  -3.565
  499    H    ASN  61           H        ASN  61  -7.525   2.090   1.858
  500    HA   ASN  61           HA       ASN  61  -9.658   0.277   1.004
  501   1HB   ASN  61          2HB       ASN  61  -8.013   0.184   3.110
  502   2HB   ASN  61          1HB       ASN  61  -9.349   1.054   3.867
  503   1HD2  ASN  61          2HD2      ASN  61 -10.052  -2.763   2.486
  504   2HD2  ASN  61          1HD2      ASN  61  -8.838  -1.831   1.750
  505    H    MET  62           H        MET  62  -9.449   3.578   2.162
  506    HA   MET  62           HA       MET  62 -12.213   3.783   3.007
  507   1HB   MET  62          2HB       MET  62 -10.391   5.371   3.701
  508   2HB   MET  62          1HB       MET  62 -10.400   6.019   2.060
  509   1HG   MET  62          2HG       MET  62 -12.497   6.984   2.302
  510   2HG   MET  62          1HG       MET  62 -12.999   5.831   3.539
  511   1HE   MET  62          1HE       MET  62 -13.572   8.674   3.437
  512   2HE   MET  62          3HE       MET  62 -12.854   9.693   4.693
  513   3HE   MET  62          2HE       MET  62 -12.078   9.551   3.117
  514    H    TYR  63           H        TYR  63 -10.563   4.074  -0.075
  515    HA   TYR  63           HA       TYR  63 -12.991   5.178  -1.367
  516   1HB   TYR  63          2HB       TYR  63 -10.295   4.466  -2.565
  517   2HB   TYR  63          1HB       TYR  63 -11.587   5.364  -3.365
  518    HD1  TYR  63           HD2      TYR  63 -12.471   7.480  -2.070
  519    HD2  TYR  63           HD1      TYR  63  -8.638   5.658  -1.413
  520    HE1  TYR  63           HE2      TYR  63 -11.641   9.590  -1.065
  521    HE2  TYR  63           HE1      TYR  63  -7.807   7.766  -0.406
  522    HH   TYR  63           HH       TYR  63  -8.805  10.516  -0.799
  523    H    GLY  64           H        GLY  64 -10.957   2.266  -1.454
  524   1HA   GLY  64          2HA       GLY  64 -12.469   0.164  -1.624
  525   2HA   GLY  64          1HA       GLY  64 -13.038   0.918  -3.114
  526    H    TRP  65           H        TRP  65 -10.212  -0.504  -1.535
  527    HA   TRP  65           HA       TRP  65  -9.218  -1.419  -4.148
  528   1HB   TRP  65          2HB       TRP  65  -7.786   0.643  -2.476
  529   2HB   TRP  65          1HB       TRP  65  -6.880  -0.471  -3.499
  530    HD1  TRP  65           HD1      TRP  65  -8.649   2.751  -3.611
  531    HE1  TRP  65           HE1      TRP  65  -8.976   3.527  -6.049
  532    HE3  TRP  65           HE3      TRP  65  -7.487  -1.569  -6.077
  533    HZ2  TRP  65           HZ2      TRP  65  -8.779   2.454  -8.695
  534    HZ3  TRP  65           HZ3      TRP  65  -7.565  -1.664  -8.552
  535    HH2  TRP  65           HH2      TRP  65  -8.208   0.339  -9.862
  536    H    HIS  66           H        HIS  66  -8.907  -3.552  -3.666
  537    HA   HIS  66           HA       HIS  66  -8.159  -4.397  -0.958
  538   1HB   HIS  66          2HB       HIS  66  -8.786  -5.830  -3.534
  539   2HB   HIS  66          1HB       HIS  66  -8.043  -6.698  -2.191
  540    HD1  HIS  66           HD1      HIS  66 -10.981  -7.278  -3.138
  541    HD2  HIS  66           HD2      HIS  66  -9.963  -4.747   0.016
  542    HE1  HIS  66           HE1      HIS  66 -13.013  -7.158  -1.631
  543    H    LYS  67           H        LYS  67  -6.298  -6.165  -0.929
  544    HA   LYS  67           HA       LYS  67  -4.081  -5.663  -2.766
  545   1HB   LYS  67          2HB       LYS  67  -2.582  -5.011  -0.706
  546   2HB   LYS  67          1HB       LYS  67  -3.515  -3.767  -1.532
  547   1HG   LYS  67          2HG       LYS  67  -3.816  -3.505   0.868
  548   2HG   LYS  67          1HG       LYS  67  -5.332  -4.072   0.169
  549   1HD   LYS  67          2HD       LYS  67  -5.137  -6.181   1.100
  550   2HD   LYS  67          1HD       LYS  67  -3.376  -6.117   1.138
  551   1HE   LYS  67          2HE       LYS  67  -3.383  -5.309   3.245
  552   2HE   LYS  67          1HE       LYS  67  -4.523  -4.034   2.816
  553   1HZ   LYS  67          2HZ       LYS  67  -6.327  -5.631   3.015
  554   2HZ   LYS  67          1HZ       LYS  67  -5.225  -6.847   3.455
  555   3HZ   LYS  67          3HZ       LYS  67  -5.459  -5.509   4.470
  556    H    VAL  68           H        VAL  68  -5.679  -7.923  -1.598
  557    HA   VAL  68           HA       VAL  68  -5.285 -10.109  -0.838
  558    HB   VAL  68           HB       VAL  68  -2.327  -9.859  -1.140
  559   1HG1  VAL  68          3HG1      VAL  68  -4.193 -11.919  -1.001
  560   2HG1  VAL  68          2HG1      VAL  68  -3.778 -11.863  -2.713
  561   3HG1  VAL  68          1HG1      VAL  68  -2.513 -12.081  -1.506
  562   1HG2  VAL  68          2HG2      VAL  68  -4.271  -9.210  -3.327
  563   2HG2  VAL  68          1HG2      VAL  68  -2.638  -8.599  -3.065
  564   3HG2  VAL  68          3HG2      VAL  68  -2.880 -10.212  -3.737
  565    H    GLN  69           H        GLN  69  -3.464 -11.309   0.738
  566    HA   GLN  69           HA       GLN  69  -3.118  -9.460   3.062
  567   1HB   GLN  69          2HB       GLN  69  -4.283 -12.207   2.873
  568   2HB   GLN  69          1HB       GLN  69  -3.347 -11.810   4.315
  569   1HG   GLN  69          2HG       GLN  69  -5.545 -10.011   3.279
  570   2HG   GLN  69          1HG       GLN  69  -5.860 -11.314   4.427
  571   1HE2  GLN  69          2HE2      GLN  69  -3.888  -9.709   7.046
  572   2HE2  GLN  69          1HE2      GLN  69  -4.158 -11.250   6.387
  573    H    ASP  70           H        ASP  70  -0.915  -9.114   2.302
  574    HA   ASP  70           HA       ASP  70   0.966 -11.196   1.807
  575   1HB   ASP  70          2HB       ASP  70   1.034  -8.469   1.667
  576   2HB   ASP  70          1HB       ASP  70   2.014  -8.749   3.107
  577    H    VAL  71           H        VAL  71  -0.061  -9.634   4.818
  578    HA   VAL  71           HA       VAL  71   1.964 -10.956   6.430
  579    HB   VAL  71           HB       VAL  71  -0.612  -9.554   7.224
  580   1HG1  VAL  71          1HG1      VAL  71   1.572 -10.872   8.770
  581   2HG1  VAL  71          3HG1      VAL  71   0.959  -9.338   9.388
  582   3HG1  VAL  71          2HG1      VAL  71  -0.138 -10.700   9.165
  583   1HG2  VAL  71          2HG2      VAL  71   2.266  -8.660   6.938
  584   2HG2  VAL  71          1HG2      VAL  71   0.838  -7.981   6.158
  585   3HG2  VAL  71          3HG2      VAL  71   1.087  -7.757   7.889
  586    H    LYS  72           H        LYS  72  -1.330 -11.339   7.608
  587    HA   LYS  72           HA       LYS  72  -2.474 -13.268   8.256
  588   1HB   LYS  72          2HB       LYS  72  -2.136 -13.279   5.477
  589   2HB   LYS  72          1HB       LYS  72  -1.694 -14.912   5.973
  590   1HG   LYS  72          2HG       LYS  72  -3.854 -14.848   7.401
  591   2HG   LYS  72          1HG       LYS  72  -4.303 -13.462   6.407
  592   1HD   LYS  72          2HD       LYS  72  -3.353 -15.968   5.060
  593   2HD   LYS  72          1HD       LYS  72  -5.007 -15.895   5.667
  594   1HE   LYS  72          2HE       LYS  72  -5.119 -13.612   4.424
  595   2HE   LYS  72          1HE       LYS  72  -3.702 -14.195   3.551
  596   1HZ   LYS  72          2HZ       LYS  72  -6.115 -15.870   3.820
  597   2HZ   LYS  72          1HZ       LYS  72  -6.001 -14.698   2.594
  598   3HZ   LYS  72          3HZ       LYS  72  -4.876 -15.966   2.662
  599    H    SER  73           H        SER  73  -2.017 -15.962   7.953
  600    HA   SER  73           HA       SER  73   0.417 -16.302   9.594
  601   1HB   SER  73          2HB       SER  73  -1.855 -18.197   8.922
  602   2HB   SER  73          1HB       SER  73  -0.489 -18.615   9.954
  603    HG   SER  73           HG       SER  73  -2.710 -17.396  10.639
  604    H    GLY  74           H        GLY  74  -0.674 -18.941   7.509
  605   1HA   GLY  74          2HA       GLY  74   0.543 -20.198   5.947
  606   2HA   GLY  74          1HA       GLY  74   0.841 -18.631   5.202
  607    H    SER  75           H        SER  75   2.034 -20.409   8.090
  608    HA   SER  75           HA       SER  75   4.220 -20.704   8.890
  609   1HB   SER  75          2HB       SER  75   4.270 -21.302   6.171
  610   2HB   SER  75          1HB       SER  75   5.598 -20.161   6.360
  611    HG   SER  75           HG       SER  75   5.245 -22.716   7.404
  612    H    MET  76           H        MET  76   4.515 -18.888  10.170
  613    HA   MET  76           HA       MET  76   5.647 -16.470   8.818
  614   1HB   MET  76          2HB       MET  76   4.781 -15.200  10.791
  615   2HB   MET  76          1HB       MET  76   3.497 -15.981   9.866
  616   1HG   MET  76          2HG       MET  76   3.415 -17.828  11.458
  617   2HG   MET  76          1HG       MET  76   4.778 -17.155  12.351
  618   1HE   MET  76          1HE       MET  76   4.538 -16.328  14.280
  619   2HE   MET  76          3HE       MET  76   4.576 -14.657  13.703
  620   3HE   MET  76          2HE       MET  76   3.391 -15.148  14.912
  621    H    LEU  77           H        LEU  77   7.119 -18.847   9.743
  622    HA   LEU  77           HA       LEU  77   8.500 -17.994  12.199
  623   1HB   LEU  77          2HB       LEU  77   8.462 -20.398  10.457
  624   2HB   LEU  77          1HB       LEU  77   9.992 -20.057  11.263
  625    HG   LEU  77           HG       LEU  77   7.320 -20.175  12.688
  626   1HD1  LEU  77          1HD1      LEU  77   9.362 -22.266  12.044
  627   2HD1  LEU  77          3HD1      LEU  77   8.585 -22.323  13.625
  628   3HD1  LEU  77          2HD1      LEU  77   7.608 -22.411  12.160
  629   1HD2  LEU  77          3HD2      LEU  77  10.156 -19.654  13.466
  630   2HD2  LEU  77          2HD2      LEU  77   8.670 -18.959  14.113
  631   3HD2  LEU  77          1HD2      LEU  77   9.163 -20.584  14.588
  632    H    SER  78           H        SER  78   9.043 -18.022   8.720
  633    HA   SER  78           HA       SER  78  11.127 -16.009   8.956
  634   1HB   SER  78          2HB       SER  78  12.779 -17.569   7.661
  635   2HB   SER  78          1HB       SER  78  12.660 -17.727   9.411
  636    HG   SER  78           HG       SER  78  12.165 -19.723   8.986
  637    H    ASN  79           H        ASN  79   8.739 -15.859   7.646
  638    HA   ASN  79           HA       ASN  79   9.539 -16.028   4.766
  639   1HB   ASN  79          2HB       ASN  79   7.704 -17.672   5.619
  640   2HB   ASN  79          1HB       ASN  79   6.672 -16.243   5.676
  641   1HD2  ASN  79          2HD2      ASN  79   7.057 -18.034   2.181
  642   2HD2  ASN  79          1HD2      ASN  79   7.260 -18.771   3.697
  643    H    ASN  80           H        ASN  80   9.118 -14.159   3.558
  644    HA   ASN  80           HA       ASN  80   7.421 -12.037   4.712
  645   1HB   ASN  80          2HB       ASN  80  10.394 -11.937   4.621
  646   2HB   ASN  80          1HB       ASN  80   9.541 -10.475   4.127
  647   1HD2  ASN  80          2HD2      ASN  80   8.507  -9.656   7.405
  648   2HD2  ASN  80          1HD2      ASN  80   8.477  -9.239   5.761
  649    H    ASP  81           H        ASP  81   9.992 -12.255   2.214
  650    HA   ASP  81           HA       ASP  81   9.926 -11.770  -0.080
  651   1HB   ASP  81          2HB       ASP  81   7.216 -12.879   0.501
  652   2HB   ASP  81          1HB       ASP  81   7.433 -12.034  -1.031
  653    H    SER  82           H        SER  82   8.660 -10.250  -1.712
  654    HA   SER  82           HA       SER  82   7.321  -8.001  -0.346
  655   1HB   SER  82          2HB       SER  82   9.987  -7.734  -1.755
  656   2HB   SER  82          1HB       SER  82   8.939  -6.362  -1.404
  657    HG   SER  82           HG       SER  82   9.146  -6.791   0.770
  658    H    ARG  83           H        ARG  83   5.722  -9.152  -1.836
  659    HA   ARG  83           HA       ARG  83   5.743  -7.760  -4.467
  660   1HB   ARG  83          2HB       ARG  83   6.161 -10.541  -4.160
  661   2HB   ARG  83          1HB       ARG  83   4.488 -10.373  -4.695
  662   1HG   ARG  83          2HG       ARG  83   5.102  -9.284  -6.687
  663   2HG   ARG  83          1HG       ARG  83   6.688  -8.833  -6.061
  664   1HD   ARG  83          2HD       ARG  83   6.862 -11.538  -5.892
  665   2HD   ARG  83          1HD       ARG  83   5.794 -11.381  -7.288
  666    HE   ARG  83           HE       ARG  83   8.505 -10.123  -7.132
  667   1HH1  ARG  83          2HH1      ARG  83   8.093  -8.839  -9.309
  668   2HH1  ARG  83          1HH1      ARG  83   7.866  -9.919 -10.644
  669   1HH2  ARG  83          1HH2      ARG  83   7.244 -12.683  -8.644
  670   2HH2  ARG  83          2HH2      ARG  83   7.385 -12.095 -10.268
  671    H    TRP  84           H        TRP  84   4.107  -6.347  -3.933
  672    HA   TRP  84           HA       TRP  84   1.661  -7.412  -2.630
  673   1HB   TRP  84          2HB       TRP  84   2.653  -4.608  -3.189
  674   2HB   TRP  84          1HB       TRP  84   1.044  -4.941  -2.565
  675    HD1  TRP  84           HD1      TRP  84   4.250  -6.799  -1.479
  676    HE1  TRP  84           HE1      TRP  84   4.606  -6.383   1.036
  677    HE3  TRP  84           HE3      TRP  84   0.495  -3.452  -0.598
  678    HZ2  TRP  84           HZ2      TRP  84   3.453  -4.835   3.147
  679    HZ3  TRP  84           HZ3      TRP  84   0.148  -2.521   1.671
  680    HH2  TRP  84           HH2      TRP  84   1.620  -3.209   3.544
  681    H    GLU  85           H        GLU  85  -0.433  -6.934  -3.532
  682    HA   GLU  85           HA       GLU  85  -0.429  -6.339  -6.462
  683   1HB   GLU  85          2HB       GLU  85  -2.041  -8.441  -4.976
  684   2HB   GLU  85          1HB       GLU  85  -2.330  -7.973  -6.652
  685   1HG   GLU  85          2HG       GLU  85  -0.533  -9.137  -7.414
  686   2HG   GLU  85          1HG       GLU  85   0.488  -8.620  -6.073
  687    H    PHE  86           H        PHE  86  -2.804  -5.709  -7.126
  688    HA   PHE  86           HA       PHE  86  -4.360  -4.487  -4.940
  689   1HB   PHE  86          2HB       PHE  86  -2.881  -2.877  -7.019
  690   2HB   PHE  86          1HB       PHE  86  -4.276  -2.234  -6.152
  691    HD1  PHE  86           HD1      PHE  86  -4.207  -1.995  -3.671
  692    HD2  PHE  86           HD2      PHE  86  -0.751  -3.142  -5.947
  693    HE1  PHE  86           HE1      PHE  86  -2.753  -1.441  -1.739
  694    HE2  PHE  86           HE2      PHE  86   0.705  -2.587  -4.018
  695    HZ   PHE  86           HZ       PHE  86  -0.297  -1.737  -1.914
  696    H    GLU  87           H        GLU  87  -6.233  -5.528  -5.573
  697    HA   GLU  87           HA       GLU  87  -7.138  -5.110  -8.393
  698   1HB   GLU  87          2HB       GLU  87  -7.525  -7.324  -6.420
  699   2HB   GLU  87          1HB       GLU  87  -8.842  -6.984  -7.543
  700   1HG   GLU  87          2HG       GLU  87  -7.115  -7.075  -9.410
  701   2HG   GLU  87          1HG       GLU  87  -5.988  -7.722  -8.217
  702    H    ASN  88           H        ASN  88  -9.723  -5.152  -8.384
  703    HA   ASN  88           HA       ASN  88 -10.567  -2.780  -7.001
  704   1HB   ASN  88          2HB       ASN  88 -11.596  -4.489  -9.036
  705   2HB   ASN  88          1HB       ASN  88 -12.830  -4.394  -7.782
  706   1HD2  ASN  88          2HD2      ASN  88 -11.678  -0.861  -9.569
  707   2HD2  ASN  88          1HD2      ASN  88 -10.529  -2.096  -9.375
  708    H    GLU  89           H        GLU  89 -12.321  -2.675  -5.375
  709    HA   GLU  89           HA       GLU  89 -12.054  -4.896  -3.417
  710   1HB   GLU  89          2HB       GLU  89 -11.505  -2.657  -2.588
  711   2HB   GLU  89          1HB       GLU  89 -13.086  -2.058  -3.077
  712   1HG   GLU  89          2HG       GLU  89 -13.703  -4.274  -1.508
  713   2HG   GLU  89          1HG       GLU  89 -12.320  -3.564  -0.680
  714    H    ARG  90           H        ARG  90 -14.866  -2.735  -3.476
  715    HA   ARG  90           HA       ARG  90 -16.570  -4.866  -4.614
  716   1HB   ARG  90          2HB       ARG  90 -16.547  -4.007  -1.750
  717   2HB   ARG  90          1HB       ARG  90 -18.115  -4.298  -2.499
  718   1HG   ARG  90          2HG       ARG  90 -17.767  -6.549  -2.670
  719   2HG   ARG  90          1HG       ARG  90 -16.051  -6.361  -3.023
  720   1HD   ARG  90          2HD       ARG  90 -16.163  -7.374  -0.860
  721   2HD   ARG  90          1HD       ARG  90 -15.756  -5.680  -0.580
  722    HE   ARG  90           HE       ARG  90 -18.177  -5.328  -0.015
  723   1HH1  ARG  90          1HH2      ARG  90 -19.386  -7.820  -0.986
  724   2HH1  ARG  90          2HH2      ARG  90 -19.471  -8.801   0.438
  725   1HH2  ARG  90          2HH1      ARG  90 -17.192  -6.896   2.218
  726   2HH2  ARG  90          1HH1      ARG  90 -18.233  -8.281   2.246
  727    H    HIS  91           H        HIS  91 -19.010  -3.889  -4.354
  728    HA   HIS  91           HA       HIS  91 -18.974  -0.955  -4.745
  729   1HB   HIS  91          2HB       HIS  91 -19.097  -2.841  -6.919
  730   2HB   HIS  91          1HB       HIS  91 -20.647  -2.010  -6.810
  731    HD1  HIS  91           HD1      HIS  91 -20.117  -0.633  -8.975
  732    HD2  HIS  91           HD2      HIS  91 -17.439   0.023  -5.848
  733    HE1  HIS  91           HE1      HIS  91 -18.783   1.429  -9.594
  734    H    ALA  92           HN       ALA  92 -20.413  -0.409  -3.187
  735    HA   ALA  92           HA       ALA  92 -22.841  -2.078  -2.793
  736   1HB   ALA  92          2HB       ALA  92 -21.223  -1.113  -0.920
  737   2HB   ALA  92          1HB       ALA  92 -22.223   0.326  -1.116
  738   3HB   ALA  92          3HB       ALA  92 -22.963  -1.205  -0.646
   
  No H/Q in entry =         738
  Start of MODEL          23
 Raw file had  756 H/Q atoms
  Start of MODEL   23
    1   1H    ALA   1          2H        ALA   1 -15.953  13.213  -4.446
    2   2H    ALA   1          1H        ALA   1 -15.935  14.802  -5.050
    3   3H    ALA   1          3H        ALA   1 -17.411  13.992  -4.842
    4    HA   ALA   1           HA       ALA   1 -16.898  12.442  -6.573
    5   1HB   ALA   1          2HB       ALA   1 -17.886  14.613  -7.229
    6   2HB   ALA   1          1HB       ALA   1 -16.267  15.290  -7.403
    7   3HB   ALA   1          3HB       ALA   1 -16.803  14.000  -8.478
    8    H    ARG   2           H        ARG   2 -14.352  14.962  -6.642
    9    HA   ARG   2           HA       ARG   2 -12.459  12.897  -7.653
   10   1HB   ARG   2          2HB       ARG   2 -12.224  15.919  -7.599
   11   2HB   ARG   2          1HB       ARG   2 -11.065  14.810  -8.335
   12   1HG   ARG   2          2HG       ARG   2 -12.846  13.969  -9.840
   13   2HG   ARG   2          1HG       ARG   2 -13.972  15.129  -9.134
   14   1HD   ARG   2          2HD       ARG   2 -13.255  16.395 -10.913
   15   2HD   ARG   2          1HD       ARG   2 -11.992  16.823  -9.760
   16    HE   ARG   2           HE       ARG   2 -11.129  14.498 -11.126
   17   1HH1  ARG   2          2HH1      ARG   2 -12.223  15.655 -13.557
   18   2HH1  ARG   2          1HH1      ARG   2 -10.991  16.755 -14.081
   19   1HH2  ARG   2          1HH2      ARG   2  -9.393  16.848 -11.005
   20   2HH2  ARG   2          2HH2      ARG   2  -9.390  17.429 -12.636
   21    HA   PRO   3           HA       PRO   3 -10.940  13.341  -3.452
   22   1HB   PRO   3          2HB       PRO   3  -9.673  10.915  -3.278
   23   2HB   PRO   3          1HB       PRO   3 -11.403  11.140  -2.966
   24   1HG   PRO   3          2HG       PRO   3 -10.069   9.916  -5.323
   25   2HG   PRO   3          1HG       PRO   3 -11.693   9.632  -4.679
   26   1HD   PRO   3          2HD       PRO   3 -11.045  11.221  -6.926
   27   2HD   PRO   3          1HD       PRO   3 -12.609  11.172  -6.091
   28    H    ALA   4           H        ALA   4  -9.083  14.444  -3.047
   29    HA   ALA   4           HA       ALA   4  -6.995  14.776  -4.958
   30   1HB   ALA   4          2HB       ALA   4  -7.162  15.347  -1.993
   31   2HB   ALA   4          1HB       ALA   4  -5.726  15.732  -2.943
   32   3HB   ALA   4          3HB       ALA   4  -7.270  16.495  -3.329
   33    H    PHE   5           H        PHE   5  -7.499  12.339  -2.508
   34    HA   PHE   5           HA       PHE   5  -4.755  11.503  -2.237
   35   1HB   PHE   5          2HB       PHE   5  -6.481  10.859  -0.596
   36   2HB   PHE   5          1HB       PHE   5  -7.324   9.929  -1.833
   37    HD1  PHE   5           HD2      PHE   5  -3.914  10.241  -0.286
   38    HD2  PHE   5           HD1      PHE   5  -6.856   7.657  -2.050
   39    HE1  PHE   5           HE2      PHE   5  -2.469   8.278   0.177
   40    HE2  PHE   5           HE1      PHE   5  -5.412   5.695  -1.588
   41    HZ   PHE   5           HZ       PHE   5  -3.218   6.005  -0.476
   42    H    VAL   6           H        VAL   6  -7.397  10.494  -4.424
   43    HA   VAL   6           HA       VAL   6  -5.754   8.436  -5.668
   44    HB   VAL   6           HB       VAL   6  -8.318   9.707  -6.679
   45   1HG1  VAL   6          2HG1      VAL   6  -6.702   8.291  -8.218
   46   2HG1  VAL   6          1HG1      VAL   6  -7.348   6.929  -7.306
   47   3HG1  VAL   6          3HG1      VAL   6  -8.433   7.961  -8.233
   48   1HG2  VAL   6          3HG2      VAL   6  -8.473   8.655  -4.404
   49   2HG2  VAL   6          2HG2      VAL   6  -9.433   7.811  -5.620
   50   3HG2  VAL   6          1HG2      VAL   6  -7.882   7.148  -5.104
   51    H    ASN   7           H        ASN   7  -6.297  11.865  -6.166
   52    HA   ASN   7           HA       ASN   7  -5.306  12.023  -8.872
   53   1HB   ASN   7          2HB       ASN   7  -5.480  13.991  -6.580
   54   2HB   ASN   7          1HB       ASN   7  -4.688  14.430  -8.094
   55   1HD2  ASN   7          2HD2      ASN   7  -7.844  15.365  -9.353
   56   2HD2  ASN   7          1HD2      ASN   7  -6.240  15.818  -9.034
   57    H    LYS   8           H        LYS   8  -3.764  12.269  -5.683
   58    HA   LYS   8           HA       LYS   8  -1.074  12.568  -6.754
   59   1HB   LYS   8          2HB       LYS   8  -0.376  12.170  -4.394
   60   2HB   LYS   8          1HB       LYS   8  -1.624  13.410  -4.506
   61   1HG   LYS   8          2HG       LYS   8  -3.328  11.871  -3.799
   62   2HG   LYS   8          1HG       LYS   8  -2.237  10.497  -3.954
   63   1HD   LYS   8          2HD       LYS   8  -2.391  11.059  -1.606
   64   2HD   LYS   8          1HD       LYS   8  -0.791  11.538  -2.174
   65   1HE   LYS   8          2HE       LYS   8  -2.901  13.604  -2.435
   66   2HE   LYS   8          1HE       LYS   8  -2.443  13.192  -0.782
   67   1HZ   LYS   8          1HZ       LYS   8  -0.337  13.653  -2.776
   68   2HZ   LYS   8          3HZ       LYS   8  -1.131  14.989  -2.100
   69   3HZ   LYS   8          2HZ       LYS   8  -0.306  13.897  -1.094
   70    H    LEU   9           H        LEU   9  -3.195   9.922  -5.958
   71    HA   LEU   9           HA       LEU   9  -1.359   7.794  -5.612
   72   1HB   LEU   9          2HB       LEU   9  -3.793   7.633  -5.194
   73   2HB   LEU   9          1HB       LEU   9  -4.099   7.788  -6.920
   74    HG   LEU   9           HG       LEU   9  -2.532   5.712  -7.136
   75   1HD1  LEU   9          1HD1      LEU   9  -3.413   5.537  -4.239
   76   2HD1  LEU   9          3HD1      LEU   9  -2.642   4.235  -5.147
   77   3HD1  LEU   9          2HD1      LEU   9  -1.753   5.721  -4.806
   78   1HD2  LEU   9          3HD2      LEU   9  -5.359   5.726  -6.064
   79   2HD2  LEU   9          2HD2      LEU   9  -4.829   5.532  -7.735
   80   3HD2  LEU   9          1HD2      LEU   9  -4.561   4.237  -6.568
   81    H    TRP  10           H        TRP  10  -3.045   8.817  -8.598
   82    HA   TRP  10           HA       TRP  10  -1.650   7.044 -10.344
   83   1HB   TRP  10          2HB       TRP  10  -3.185   9.607 -10.737
   84   2HB   TRP  10          1HB       TRP  10  -2.384   8.821 -12.098
   85    HD1  TRP  10           HD1      TRP  10  -2.920   5.887 -11.817
   86    HE1  TRP  10           HE1      TRP  10  -5.298   4.886 -11.783
   87    HE3  TRP  10           HE3      TRP  10  -5.606  10.004 -10.437
   88    HZ2  TRP  10           HZ2      TRP  10  -7.973   5.712 -11.256
   89    HZ3  TRP  10           HZ3      TRP  10  -8.064   9.861 -10.170
   90    HH2  TRP  10           HH2      TRP  10  -9.253   7.729 -10.582
   91    H    SER  11           H        SER  11  -0.773  10.154  -9.006
   92    HA   SER  11           HA       SER  11   1.189  10.952 -10.905
   93   1HB   SER  11          2HB       SER  11   0.275  12.344  -9.003
   94   2HB   SER  11          1HB       SER  11   1.310  11.423  -7.916
   95    HG   SER  11           HG       SER  11   2.096  13.505  -8.951
   96    H    MET  12           H        MET  12   1.458   8.830  -8.052
   97    HA   MET  12           HA       MET  12   4.337   8.411  -8.586
   98   1HB   MET  12          2HB       MET  12   2.752   6.843  -6.567
   99   2HB   MET  12          1HB       MET  12   4.452   7.295  -6.523
  100   1HG   MET  12          2HG       MET  12   3.770   9.682  -6.224
  101   2HG   MET  12          1HG       MET  12   2.087   9.160  -6.153
  102   1HE   MET  12          1HE       MET  12   1.409   7.093  -4.647
  103   2HE   MET  12          3HE       MET  12   2.918   6.172  -4.613
  104   3HE   MET  12          2HE       MET  12   2.159   6.683  -3.107
  105    H    VAL  13           H        VAL  13   1.286   6.783  -9.103
  106    HA   VAL  13           HA       VAL  13   2.595   4.229  -9.768
  107    HB   VAL  13           HB       VAL  13  -0.321   4.960 -10.093
  108   1HG1  VAL  13          3HG1      VAL  13   1.324   2.466 -10.160
  109   2HG1  VAL  13          2HG1      VAL  13  -0.307   2.365  -9.495
  110   3HG1  VAL  13          1HG1      VAL  13  -0.062   2.921 -11.150
  111   1HG2  VAL  13          3HG2      VAL  13   0.621   5.321  -7.736
  112   2HG2  VAL  13          2HG2      VAL  13  -0.719   4.182  -7.864
  113   3HG2  VAL  13          1HG2      VAL  13   0.931   3.586  -7.704
  114    H    ASN  14           H        ASN  14   2.539   6.986 -11.437
  115    HA   ASN  14           HA       ASN  14   1.450   6.047 -13.982
  116   1HB   ASN  14          2HB       ASN  14   2.119   8.547 -12.873
  117   2HB   ASN  14          1HB       ASN  14   3.247   8.324 -14.209
  118   1HD2  ASN  14          2HD2      ASN  14   0.427   7.928 -16.582
  119   2HD2  ASN  14          1HD2      ASN  14   1.808   7.041 -16.151
  120    H    ASP  15           H        ASP  15   4.205   5.165 -12.363
  121    HA   ASP  15           HA       ASP  15   6.194   4.146 -13.034
  122   1HB   ASP  15          2HB       ASP  15   4.551   2.892 -14.478
  123   2HB   ASP  15          1HB       ASP  15   4.898   4.043 -15.769
  124    H    LYS  16           H        LYS  16   5.781   7.137 -13.371
  125    HA   LYS  16           HA       LYS  16   7.562   7.700 -15.665
  126   1HB   LYS  16          2HB       LYS  16   5.457   9.112 -14.427
  127   2HB   LYS  16          1HB       LYS  16   6.913  10.025 -14.037
  128   1HG   LYS  16          2HG       LYS  16   6.184  10.902 -16.124
  129   2HG   LYS  16          1HG       LYS  16   7.513   9.815 -16.528
  130   1HD   LYS  16          2HD       LYS  16   5.378   8.092 -16.578
  131   2HD   LYS  16          1HD       LYS  16   4.637   9.584 -17.158
  132   1HE   LYS  16          2HE       LYS  16   7.213   8.451 -18.278
  133   2HE   LYS  16          1HE       LYS  16   5.624   8.146 -18.980
  134   1HZ   LYS  16          3HZ       LYS  16   6.662  10.875 -18.488
  135   2HZ   LYS  16          2HZ       LYS  16   6.900  10.055 -19.955
  136   3HZ   LYS  16          1HZ       LYS  16   5.327  10.423 -19.430
  137    H    SER  17           H        SER  17   7.555   9.116 -12.385
  138    HA   SER  17           HA       SER  17  10.519   9.025 -12.425
  139   1HB   SER  17          2HB       SER  17  10.392  10.561 -10.532
  140   2HB   SER  17          1HB       SER  17   9.353  11.145 -11.829
  141    HG   SER  17           HG       SER  17   8.135  11.217  -9.999
  142    H    ASN  18           H        ASN  18   9.262   6.520 -12.130
  143    HA   ASN  18           HA       ASN  18  10.598   5.385  -9.927
  144   1HB   ASN  18          2HB       ASN  18   8.484   4.791  -8.542
  145   2HB   ASN  18          1HB       ASN  18   9.173   6.398  -8.332
  146   1HD2  ASN  18          2HD2      ASN  18   6.159   7.945  -9.233
  147   2HD2  ASN  18          1HD2      ASN  18   7.609   7.998  -8.351
  148    H    GLU  19           H        GLU  19  10.150   4.778 -12.610
  149    HA   GLU  19           HA       GLU  19   8.102   2.774 -12.958
  150   1HB   GLU  19          2HB       GLU  19   8.817   3.807 -14.944
  151   2HB   GLU  19          1HB       GLU  19  10.514   3.671 -14.534
  152   1HG   GLU  19          2HG       GLU  19   9.032   1.107 -14.830
  153   2HG   GLU  19          1HG       GLU  19   9.274   2.037 -16.310
  154    H    LYS  20           H        LYS  20  11.328   2.706 -11.618
  155    HA   LYS  20           HA       LYS  20  11.521  -0.231 -11.858
  156   1HB   LYS  20          2HB       LYS  20  13.343   1.974 -11.270
  157   2HB   LYS  20          1HB       LYS  20  13.539   0.653 -10.120
  158   1HG   LYS  20          2HG       LYS  20  13.558  -0.895 -12.192
  159   2HG   LYS  20          1HG       LYS  20  13.829   0.579 -13.123
  160   1HD   LYS  20          2HD       LYS  20  15.941   0.899 -12.273
  161   2HD   LYS  20          1HD       LYS  20  15.539   0.173 -10.718
  162   1HE   LYS  20          2HE       LYS  20  16.170  -1.901 -11.393
  163   2HE   LYS  20          1HE       LYS  20  15.408  -1.718 -12.973
  164   1HZ   LYS  20          3HZ       LYS  20  17.302  -0.222 -13.556
  165   2HZ   LYS  20          2HZ       LYS  20  18.058  -0.704 -12.114
  166   3HZ   LYS  20          1HZ       LYS  20  17.727  -1.847 -13.327
  167    H    PHE  21           H        PHE  21   9.568   1.508 -10.000
  168    HA   PHE  21           HA       PHE  21   9.975  -0.262  -7.633
  169   1HB   PHE  21          2HB       PHE  21   9.099   2.639  -7.565
  170   2HB   PHE  21          1HB       PHE  21   9.299   1.580  -6.168
  171    HD1  PHE  21           HD1      PHE  21  11.677   0.326  -6.100
  172    HD2  PHE  21           HD2      PHE  21  10.886   4.036  -8.119
  173    HE1  PHE  21           HE1      PHE  21  14.092   0.883  -6.024
  174    HE2  PHE  21           HE2      PHE  21  13.303   4.591  -8.042
  175    HZ   PHE  21           HZ       PHE  21  14.905   3.015  -6.994
  176    H    ILE  22           H        ILE  22   7.701   1.291  -9.831
  177    HA   ILE  22           HA       ILE  22   5.605  -0.561  -8.909
  178    HB   ILE  22           HB       ILE  22   5.330   1.410  -7.440
  179   1HG1  ILE  22          2HG1      ILE  22   3.112   1.514  -9.475
  180   2HG1  ILE  22          1HG1      ILE  22   3.377   0.058  -8.513
  181   1HG2  ILE  22          1HG2      ILE  22   6.227   2.909  -9.478
  182   2HG2  ILE  22          3HG2      ILE  22   4.494   3.109  -9.742
  183   3HG2  ILE  22          2HG2      ILE  22   5.211   3.577  -8.201
  184   1HD1  ILE  22          1HD1      ILE  22   3.334   1.555  -6.458
  185   2HD1  ILE  22          3HD1      ILE  22   2.758   2.844  -7.513
  186   3HD1  ILE  22          2HD1      ILE  22   1.792   1.382  -7.298
  187    H    HIS  23           H        HIS  23   3.774  -0.606 -10.444
  188    HA   HIS  23           HA       HIS  23   3.779   0.905 -12.889
  189   1HB   HIS  23          2HB       HIS  23   4.476  -0.970 -14.410
  190   2HB   HIS  23          1HB       HIS  23   5.795  -0.341 -13.422
  191    HD1  HIS  23           HD1      HIS  23   3.902  -3.418 -14.145
  192    HD2  HIS  23           HD2      HIS  23   6.411  -2.052 -11.108
  193    HE1  HIS  23           HE1      HIS  23   4.585  -5.458 -12.806
  194    H    TRP  24           H        TRP  24   2.043   0.207 -14.319
  195    HA   TRP  24           HA       TRP  24  -0.181  -0.980 -12.917
  196   1HB   TRP  24          2HB       TRP  24   0.165  -0.451 -15.886
  197   2HB   TRP  24          1HB       TRP  24  -1.360  -0.799 -15.078
  198    HD1  TRP  24           HD1      TRP  24  -0.843   1.052 -12.490
  199    HE1  TRP  24           HE1      TRP  24  -1.014   3.610 -12.750
  200    HE3  TRP  24           HE3      TRP  24  -0.174   1.482 -17.540
  201    HZ2  TRP  24           HZ2      TRP  24  -0.888   5.577 -14.816
  202    HZ3  TRP  24           HZ3      TRP  24  -0.206   3.711 -18.623
  203    HH2  TRP  24           HH2      TRP  24  -0.564   5.756 -17.269
  204    H    SER  25           H        SER  25  -1.430  -2.849 -14.098
  205    HA   SER  25           HA       SER  25   0.186  -5.215 -13.937
  206   1HB   SER  25          2HB       SER  25  -2.630  -4.570 -14.613
  207   2HB   SER  25          1HB       SER  25  -2.013  -6.084 -15.269
  208    HG   SER  25           HG       SER  25  -2.258  -6.855 -13.340
  209    H    THR  26           H        THR  26  -1.373  -3.648 -16.759
  210    HA   THR  26           HA       THR  26   0.910  -4.324 -18.457
  211    HB   THR  26           HB       THR  26  -1.779  -5.583 -19.069
  212    HG1  THR  26           HG1      THR  26  -1.026  -6.901 -17.582
  213   1HG2  THR  26          1HG2      THR  26  -0.182  -4.871 -20.957
  214   2HG2  THR  26          3HG2      THR  26   0.892  -6.137 -20.361
  215   3HG2  THR  26          2HG2      THR  26  -0.717  -6.551 -20.953
  216    H    SER  27           H        SER  27  -2.586  -3.751 -18.980
  217    HA   SER  27           HA       SER  27  -1.866  -1.172 -20.304
  218   1HB   SER  27          2HB       SER  27  -4.044  -3.007 -21.317
  219   2HB   SER  27          1HB       SER  27  -3.332  -1.616 -22.130
  220    HG   SER  27           HG       SER  27  -2.614  -3.931 -22.627
  221    H    GLY  28           H        GLY  28  -2.836  -1.640 -17.605
  222   1HA   GLY  28          2HA       GLY  28  -4.316  -0.127 -16.396
  223   2HA   GLY  28          1HA       GLY  28  -5.392  -0.120 -17.795
  224    H    GLU  29           H        GLU  29  -4.289  -2.055 -15.053
  225    HA   GLU  29           HA       GLU  29  -6.899  -3.455 -15.069
  226   1HB   GLU  29          2HB       GLU  29  -4.802  -4.718 -16.236
  227   2HB   GLU  29          1HB       GLU  29  -4.551  -5.203 -14.559
  228   1HG   GLU  29          2HG       GLU  29  -6.702  -6.209 -14.417
  229   2HG   GLU  29          1HG       GLU  29  -7.248  -5.432 -15.904
  230    H    SER  30           H        SER  30  -3.736  -3.181 -13.421
  231    HA   SER  30           HA       SER  30  -4.966  -2.392 -10.922
  232   1HB   SER  30          2HB       SER  30  -4.074  -4.488  -9.699
  233   2HB   SER  30          1HB       SER  30  -5.579  -4.653 -10.600
  234    HG   SER  30           HG       SER  30  -4.119  -6.340 -11.084
  235    H    ILE  31           H        ILE  31  -3.076  -2.838  -9.097
  236    HA   ILE  31           HA       ILE  31  -0.622  -1.668 -10.327
  237    HB   ILE  31           HB       ILE  31  -1.412  -1.730  -7.399
  238   1HG1  ILE  31          2HG1      ILE  31  -1.671   0.599  -9.320
  239   2HG1  ILE  31          1HG1      ILE  31  -3.016  -0.479  -8.946
  240   1HG2  ILE  31          1HG2      ILE  31   1.043  -1.354  -8.294
  241   2HG2  ILE  31          3HG2      ILE  31   0.435   0.250  -8.702
  242   3HG2  ILE  31          2HG2      ILE  31   0.401  -0.308  -7.029
  243   1HD1  ILE  31          1HD1      ILE  31  -1.429   0.972  -6.815
  244   2HD1  ILE  31          3HD1      ILE  31  -2.903   1.627  -7.530
  245   3HD1  ILE  31          2HD1      ILE  31  -2.959   0.117  -6.621
  246    H    VAL  32           H        VAL  32   1.402  -2.615  -9.955
  247    HA   VAL  32           HA       VAL  32   1.387  -5.229  -8.498
  248    HB   VAL  32           HB       VAL  32   2.892  -4.560 -11.051
  249   1HG1  VAL  32          1HG1      VAL  32   3.055  -6.759  -9.074
  250   2HG1  VAL  32          3HG1      VAL  32   2.972  -7.277 -10.758
  251   3HG1  VAL  32          2HG1      VAL  32   4.260  -6.195 -10.231
  252   1HG2  VAL  32          2HG2      VAL  32   0.473  -6.307 -10.502
  253   2HG2  VAL  32          1HG2      VAL  32   0.525  -4.858 -11.507
  254   3HG2  VAL  32          3HG2      VAL  32   1.374  -6.318 -12.018
  255    H    VAL  33           H        VAL  33   2.856  -5.265  -6.872
  256    HA   VAL  33           HA       VAL  33   4.976  -3.164  -6.852
  257    HB   VAL  33           HB       VAL  33   3.997  -4.887  -4.559
  258   1HG1  VAL  33          2HG1      VAL  33   5.988  -2.683  -4.884
  259   2HG1  VAL  33          1HG1      VAL  33   5.039  -2.718  -3.398
  260   3HG1  VAL  33          3HG1      VAL  33   6.043  -4.101  -3.836
  261   1HG2  VAL  33          3HG2      VAL  33   2.920  -2.421  -5.789
  262   2HG2  VAL  33          2HG2      VAL  33   2.126  -3.594  -4.739
  263   3HG2  VAL  33          1HG2      VAL  33   3.137  -2.331  -4.040
  264    HA   PRO  34           HA       PRO  34   7.471  -6.851  -7.506
  265   1HB   PRO  34          2HB       PRO  34   9.594  -5.615  -8.731
  266   2HB   PRO  34          1HB       PRO  34   8.145  -6.152  -9.598
  267   1HG   PRO  34          2HG       PRO  34   8.973  -3.395  -8.856
  268   2HG   PRO  34          1HG       PRO  34   7.929  -3.938 -10.180
  269   1HD   PRO  34          2HD       PRO  34   7.062  -2.805  -7.740
  270   2HD   PRO  34          1HD       PRO  34   6.043  -3.629  -8.934
  271    H    ASN  35           H        ASN  35   8.462  -3.706  -6.249
  272    HA   ASN  35           HA       ASN  35  10.090  -5.097  -4.184
  273   1HB   ASN  35          2HB       ASN  35  11.015  -2.944  -6.077
  274   2HB   ASN  35          1HB       ASN  35  11.735  -3.092  -4.474
  275   1HD2  ASN  35          2HD2      ASN  35  12.604  -5.857  -7.339
  276   2HD2  ASN  35          1HD2      ASN  35  11.448  -4.648  -7.629
  277    H    ARG  36           H        ARG  36   8.256  -4.578  -2.819
  278    HA   ARG  36           HA       ARG  36   7.332  -1.860  -2.450
  279   1HB   ARG  36          2HB       ARG  36   6.193  -4.143  -1.841
  280   2HB   ARG  36          1HB       ARG  36   7.100  -3.988  -0.337
  281   1HG   ARG  36          2HG       ARG  36   6.121  -1.562  -0.296
  282   2HG   ARG  36          1HG       ARG  36   4.932  -2.210  -1.425
  283   1HD   ARG  36          2HD       ARG  36   5.130  -4.132   0.630
  284   2HD   ARG  36          1HD       ARG  36   5.098  -2.568   1.445
  285    HE   ARG  36           HE       ARG  36   3.048  -3.021  -0.641
  286   1HH1  ARG  36          1HH2      ARG  36   3.447  -4.254   2.402
  287   2HH1  ARG  36          2HH2      ARG  36   2.067  -3.484   3.110
  288   1HH2  ARG  36          2HH1      ARG  36   1.486  -1.416   0.390
  289   2HH2  ARG  36          1HH1      ARG  36   0.958  -1.878   1.975
  290    H    GLU  37           H        GLU  37   9.931  -3.764  -1.083
  291    HA   GLU  37           HA       GLU  37  10.360  -2.240   1.297
  292   1HB   GLU  37          2HB       GLU  37  12.622  -3.255   1.284
  293   2HB   GLU  37          1HB       GLU  37  11.368  -4.453   0.971
  294   1HG   GLU  37          2HG       GLU  37  11.796  -4.248  -1.465
  295   2HG   GLU  37          1HG       GLU  37  13.077  -3.084  -1.130
  296    H    ARG  38           H        ARG  38  11.544  -1.797  -2.020
  297    HA   ARG  38           HA       ARG  38  13.216   0.488  -1.179
  298   1HB   ARG  38          2HB       ARG  38  12.720  -0.868  -3.833
  299   2HB   ARG  38          1HB       ARG  38  13.692   0.595  -3.680
  300   1HG   ARG  38          2HG       ARG  38  14.940  -0.754  -1.806
  301   2HG   ARG  38          1HG       ARG  38  14.241  -2.161  -2.608
  302   1HD   ARG  38          2HD       ARG  38  15.829  -2.061  -4.197
  303   2HD   ARG  38          1HD       ARG  38  15.330  -0.425  -4.619
  304    HE   ARG  38           HE       ARG  38  17.026   0.436  -3.125
  305   1HH1  ARG  38          2HH1      ARG  38  17.399  -1.109  -0.858
  306   2HH1  ARG  38          1HH1      ARG  38  18.700  -2.198  -1.209
  307   1HH2  ARG  38          1HH2      ARG  38  18.483  -1.779  -4.641
  308   2HH2  ARG  38          2HH2      ARG  38  19.313  -2.576  -3.348
  309    H    PHE  39           H        PHE  39  10.153  -0.121  -2.780
  310    HA   PHE  39           HA       PHE  39   9.695   2.408  -3.969
  311   1HB   PHE  39          2HB       PHE  39   8.186   0.638  -4.492
  312   2HB   PHE  39          1HB       PHE  39   7.848   0.315  -2.796
  313    HD1  PHE  39           HD1      PHE  39   7.180   2.590  -5.636
  314    HD2  PHE  39           HD2      PHE  39   6.269   1.663  -1.545
  315    HE1  PHE  39           HE1      PHE  39   5.226   4.116  -5.726
  316    HE2  PHE  39           HE2      PHE  39   4.319   3.191  -1.630
  317    HZ   PHE  39           HZ       PHE  39   3.797   4.419  -3.721
  318    H    VAL  40           H        VAL  40   8.362   1.331  -0.825
  319    HA   VAL  40           HA       VAL  40   7.343   3.748   0.075
  320    HB   VAL  40           HB       VAL  40   8.765   1.718   1.814
  321   1HG1  VAL  40          1HG1      VAL  40   7.755   4.118   2.587
  322   2HG1  VAL  40          3HG1      VAL  40   6.303   3.126   2.695
  323   3HG1  VAL  40          2HG1      VAL  40   7.740   2.688   3.616
  324   1HG2  VAL  40          2HG2      VAL  40   6.087   1.739   0.446
  325   2HG2  VAL  40          1HG2      VAL  40   7.238   0.414   0.616
  326   3HG2  VAL  40          3HG2      VAL  40   6.267   0.921   1.998
  327    H    GLN  41           H        GLN  41  10.753   2.775   0.163
  328    HA   GLN  41           HA       GLN  41  11.568   4.938   1.902
  329   1HB   GLN  41          2HB       GLN  41  12.770   2.671   1.213
  330   2HB   GLN  41          1HB       GLN  41  13.503   3.711  -0.009
  331   1HG   GLN  41          2HG       GLN  41  13.410   4.580   2.872
  332   2HG   GLN  41          1HG       GLN  41  14.683   3.497   2.308
  333   1HE2  GLN  41          2HE2      GLN  41  16.393   6.019   0.490
  334   2HE2  GLN  41          1HE2      GLN  41  16.281   4.360   0.829
  335    H    GLU  42           H        GLU  42  12.264   4.475  -1.598
  336    HA   GLU  42           HA       GLU  42  12.834   7.370  -1.788
  337   1HB   GLU  42          2HB       GLU  42  13.268   5.026  -3.637
  338   2HB   GLU  42          1HB       GLU  42  13.495   6.691  -4.175
  339   1HG   GLU  42          2HG       GLU  42  15.303   7.050  -2.746
  340   2HG   GLU  42          1HG       GLU  42  14.806   5.773  -1.636
  341    H    VAL  43           H        VAL  43  10.001   6.369  -1.530
  342    HA   VAL  43           HA       VAL  43   8.973   7.906  -3.837
  343    HB   VAL  43           HB       VAL  43   7.846   5.149  -3.280
  344   1HG1  VAL  43          3HG1      VAL  43   7.385   7.300  -5.345
  345   2HG1  VAL  43          2HG1      VAL  43   6.924   5.623  -5.637
  346   3HG1  VAL  43          1HG1      VAL  43   6.201   6.516  -4.298
  347   1HG2  VAL  43          3HG2      VAL  43   9.786   6.076  -5.426
  348   2HG2  VAL  43          2HG2      VAL  43  10.114   4.888  -4.165
  349   3HG2  VAL  43          1HG2      VAL  43   8.951   4.522  -5.438
  350    H    LEU  44           H        LEU  44   8.228   6.259  -0.746
  351    HA   LEU  44           HA       LEU  44   5.596   7.394  -0.522
  352   1HB   LEU  44          2HB       LEU  44   6.575   5.423   0.808
  353   2HB   LEU  44          1HB       LEU  44   7.298   6.646   1.851
  354    HG   LEU  44           HG       LEU  44   5.025   7.658   2.152
  355   1HD1  LEU  44          3HD1      LEU  44   4.273   5.251   0.489
  356   2HD1  LEU  44          2HD1      LEU  44   3.116   6.023   1.573
  357   3HD1  LEU  44          1HD1      LEU  44   3.822   6.937   0.241
  358   1HD2  LEU  44          1HD2      LEU  44   6.157   5.664   3.537
  359   2HD2  LEU  44          3HD2      LEU  44   4.538   6.252   3.917
  360   3HD2  LEU  44          2HD2      LEU  44   4.741   4.793   2.948
  361    HA   PRO  45           HA       PRO  45   7.527  10.813   2.029
  362   1HB   PRO  45          2HB       PRO  45  10.235  11.240   2.009
  363   2HB   PRO  45          1HB       PRO  45   9.412  10.232   3.212
  364   1HG   PRO  45          2HG       PRO  45  11.102   9.404   0.912
  365   2HG   PRO  45          1HG       PRO  45  10.771   8.552   2.431
  366   1HD   PRO  45          2HD       PRO  45   9.584   8.006  -0.081
  367   2HD   PRO  45          1HD       PRO  45   9.066   7.374   1.489
  368    H    LYS  46           H        LYS  46   8.913  10.021  -1.076
  369    HA   LYS  46           HA       LYS  46   9.835  12.557  -1.922
  370   1HB   LYS  46          2HB       LYS  46   9.069  10.023  -3.182
  371   2HB   LYS  46          1HB       LYS  46   8.765  11.417  -4.216
  372   1HG   LYS  46          2HG       LYS  46  11.398  10.850  -2.817
  373   2HG   LYS  46          1HG       LYS  46  11.065  10.493  -4.509
  374   1HD   LYS  46          2HD       LYS  46  10.442  12.980  -4.737
  375   2HD   LYS  46          1HD       LYS  46  11.229  13.196  -3.175
  376   1HE   LYS  46          2HE       LYS  46  12.561  11.909  -5.574
  377   2HE   LYS  46          1HE       LYS  46  12.757  13.603  -5.126
  378   1HZ   LYS  46          1HZ       LYS  46  13.370  12.601  -2.834
  379   2HZ   LYS  46          3HZ       LYS  46  13.687  11.192  -3.724
  380   3HZ   LYS  46          2HZ       LYS  46  14.529  12.625  -4.076
  381    H    TYR  47           H        TYR  47   6.547  11.195  -1.977
  382    HA   TYR  47           HA       TYR  47   5.542  13.794  -3.035
  383   1HB   TYR  47          2HB       TYR  47   4.165  11.109  -2.729
  384   2HB   TYR  47          1HB       TYR  47   3.418  12.558  -3.403
  385    HD1  TYR  47           HD2      TYR  47   6.422  10.354  -3.818
  386    HD2  TYR  47           HD1      TYR  47   3.609  13.002  -5.698
  387    HE1  TYR  47           HE2      TYR  47   7.413   9.835  -6.032
  388    HE2  TYR  47           HE1      TYR  47   4.601  12.484  -7.912
  389    HH   TYR  47           HH       TYR  47   5.908  10.685  -8.966
  390    H    PHE  48           H        PHE  48   5.290  11.601  -0.273
  391    HA   PHE  48           HA       PHE  48   3.424  13.475   1.077
  392   1HB   PHE  48          2HB       PHE  48   4.444  10.724   1.839
  393   2HB   PHE  48          1HB       PHE  48   3.372  11.691   2.850
  394    HD1  PHE  48           HD1      PHE  48   1.096  12.334   2.001
  395    HD2  PHE  48           HD2      PHE  48   3.626   9.558  -0.085
  396    HE1  PHE  48           HE1      PHE  48  -0.856  11.538   0.694
  397    HE2  PHE  48           HE2      PHE  48   1.673   8.762  -1.392
  398    HZ   PHE  48           HZ       PHE  48  -0.568   9.753  -1.002
  399    H    LYS  49           H        LYS  49   4.062  13.469   3.646
  400    HA   LYS  49           HA       LYS  49   6.930  14.323   3.759
  401   1HB   LYS  49          2HB       LYS  49   4.471  15.571   5.004
  402   2HB   LYS  49          1HB       LYS  49   6.107  15.961   5.535
  403   1HG   LYS  49          2HG       LYS  49   5.324  16.126   2.626
  404   2HG   LYS  49          1HG       LYS  49   5.050  17.477   3.726
  405   1HD   LYS  49          2HD       LYS  49   7.260  17.998   3.840
  406   2HD   LYS  49          1HD       LYS  49   7.754  16.306   3.908
  407   1HE   LYS  49          2HE       LYS  49   7.654  16.067   1.550
  408   2HE   LYS  49          1HE       LYS  49   6.722  17.551   1.357
  409   1HZ   LYS  49          1HZ       LYS  49   9.380  17.698   2.595
  410   2HZ   LYS  49          3HZ       LYS  49   9.277  17.522   0.911
  411   3HZ   LYS  49          2HZ       LYS  49   8.553  18.859   1.667
  412    H    HIS  50           H        HIS  50   4.170  13.132   5.690
  413    HA   HIS  50           HA       HIS  50   6.113  11.586   7.331
  414   1HB   HIS  50          2HB       HIS  50   4.012  13.514   8.329
  415   2HB   HIS  50          1HB       HIS  50   4.596  12.192   9.340
  416    HD1  HIS  50           HD1      HIS  50   7.137  12.242  10.029
  417    HD2  HIS  50           HD2      HIS  50   5.843  15.635   7.980
  418    HE1  HIS  50           HE1      HIS  50   8.934  14.000  10.345
  419    H    SER  51           H        SER  51   5.034  10.082   5.594
  420    HA   SER  51           HA       SER  51   2.601   8.874   6.847
  421   1HB   SER  51          2HB       SER  51   1.880   9.885   4.777
  422   2HB   SER  51          1HB       SER  51   3.251   9.205   3.906
  423    HG   SER  51           HG       SER  51   1.756   7.730   3.503
  424    H    ASN  52           H        ASN  52   2.487   6.551   6.681
  425    HA   ASN  52           HA       ASN  52   5.097   5.251   6.002
  426   1HB   ASN  52          2HB       ASN  52   3.313   4.954   8.394
  427   2HB   ASN  52          1HB       ASN  52   4.244   3.560   7.843
  428   1HD2  ASN  52          2HD2      ASN  52   6.144   6.172  10.102
  429   2HD2  ASN  52          1HD2      ASN  52   4.470   5.895  10.103
  430    H    PHE  53           H        PHE  53   4.849   2.918   5.440
  431    HA   PHE  53           HA       PHE  53   2.991   2.460   3.374
  432   1HB   PHE  53          2HB       PHE  53   3.508  -0.026   3.807
  433   2HB   PHE  53          1HB       PHE  53   4.877   1.022   3.438
  434    HD1  PHE  53           HD2      PHE  53   2.954  -0.443   6.296
  435    HD2  PHE  53           HD1      PHE  53   6.682   1.210   4.944
  436    HE1  PHE  53           HE2      PHE  53   4.008  -1.053   8.457
  437    HE2  PHE  53           HE1      PHE  53   7.736   0.601   7.105
  438    HZ   PHE  53           HZ       PHE  53   6.399  -0.531   8.861
  439    H    ALA  54           H        ALA  54   2.627   1.918   6.833
  440    HA   ALA  54           HA       ALA  54   0.280   0.264   6.703
  441   1HB   ALA  54          1HB       ALA  54   1.301   2.160   8.837
  442   2HB   ALA  54          3HB       ALA  54  -0.096   1.107   9.060
  443   3HB   ALA  54          2HB       ALA  54   1.499   0.409   8.783
  444    H    SER  55           H        SER  55   0.714   3.796   7.009
  445    HA   SER  55           HA       SER  55  -2.079   4.435   7.088
  446   1HB   SER  55          2HB       SER  55  -0.054   5.961   7.604
  447   2HB   SER  55          1HB       SER  55   0.025   6.221   5.864
  448    HG   SER  55           HG       SER  55  -1.368   7.741   6.432
  449    H    PHE  56           H        PHE  56   0.155   3.764   4.464
  450    HA   PHE  56           HA       PHE  56  -1.409   4.767   2.293
  451   1HB   PHE  56          2HB       PHE  56   0.946   4.128   2.013
  452   2HB   PHE  56          1HB       PHE  56   0.561   2.454   2.404
  453    HD1  PHE  56           HD2      PHE  56  -1.025   5.027   0.163
  454    HD2  PHE  56           HD1      PHE  56   0.694   1.106   0.514
  455    HE1  PHE  56           HE2      PHE  56  -1.557   4.579  -2.219
  456    HE2  PHE  56           HE1      PHE  56   0.161   0.658  -1.867
  457    HZ   PHE  56           HZ       PHE  56  -0.964   2.395  -3.232
  458    H    VAL  57           H        VAL  57  -1.186   1.475   3.677
  459    HA   VAL  57           HA       VAL  57  -3.163   0.271   2.031
  460    HB   VAL  57           HB       VAL  57  -2.679  -0.464   4.930
  461   1HG1  VAL  57          3HG1      VAL  57  -4.497  -1.541   3.414
  462   2HG1  VAL  57          2HG1      VAL  57  -3.140  -2.297   2.580
  463   3HG1  VAL  57          1HG1      VAL  57  -3.409  -2.615   4.294
  464   1HG2  VAL  57          1HG2      VAL  57  -0.891  -0.657   2.552
  465   2HG2  VAL  57          3HG2      VAL  57  -0.477  -0.541   4.262
  466   3HG2  VAL  57          2HG2      VAL  57  -0.989  -2.085   3.582
  467    H    ARG  58           H        ARG  58  -3.460   2.239   4.939
  468    HA   ARG  58           HA       ARG  58  -6.216   1.636   5.489
  469   1HB   ARG  58          2HB       ARG  58  -4.275   3.741   6.306
  470   2HB   ARG  58          1HB       ARG  58  -5.988   4.116   6.504
  471   1HG   ARG  58          2HG       ARG  58  -6.034   1.650   7.523
  472   2HG   ARG  58          1HG       ARG  58  -4.340   2.016   7.849
  473   1HD   ARG  58          2HD       ARG  58  -4.869   3.823   9.253
  474   2HD   ARG  58          1HD       ARG  58  -6.488   3.998   8.574
  475    HE   ARG  58           HE       ARG  58  -6.931   1.710   9.710
  476   1HH1  ARG  58          2HH1      ARG  58  -4.229   1.413  10.926
  477   2HH1  ARG  58          1HH1      ARG  58  -4.460   2.061  12.515
  478   1HH2  ARG  58          1HH2      ARG  58  -7.423   3.673  11.715
  479   2HH2  ARG  58          2HH2      ARG  58  -6.268   3.339  12.962
  480    H    GLN  59           H        GLN  59  -4.698   4.267   3.601
  481    HA   GLN  59           HA       GLN  59  -7.109   5.636   2.943
  482   1HB   GLN  59          2HB       GLN  59  -4.614   5.405   1.230
  483   2HB   GLN  59          1HB       GLN  59  -5.849   6.656   1.114
  484   1HG   GLN  59          2HG       GLN  59  -4.076   6.156   3.524
  485   2HG   GLN  59          1HG       GLN  59  -3.889   7.471   2.368
  486   1HE2  GLN  59          2HE2      GLN  59  -6.290   8.085   5.457
  487   2HE2  GLN  59          1HE2      GLN  59  -5.045   6.932   5.403
  488    H    LEU  60           H        LEU  60  -5.399   3.013   1.245
  489    HA   LEU  60           HA       LEU  60  -7.098   2.890  -1.032
  490   1HB   LEU  60          2HB       LEU  60  -5.547   0.676   0.344
  491   2HB   LEU  60          1HB       LEU  60  -6.254   0.558  -1.267
  492    HG   LEU  60           HG       LEU  60  -4.340   2.775  -0.538
  493   1HD1  LEU  60          3HD1      LEU  60  -3.800  -0.084  -1.182
  494   2HD1  LEU  60          2HD1      LEU  60  -2.792   1.119  -1.988
  495   3HD1  LEU  60          1HD1      LEU  60  -2.849   1.053  -0.227
  496   1HD2  LEU  60          3HD2      LEU  60  -5.385   1.539  -3.095
  497   2HD2  LEU  60          2HD2      LEU  60  -5.536   3.212  -2.557
  498   3HD2  LEU  60          1HD2      LEU  60  -3.968   2.588  -3.070
  499    H    ASN  61           H        ASN  61  -7.367   1.285   2.138
  500    HA   ASN  61           HA       ASN  61  -9.730  -0.230   1.387
  501   1HB   ASN  61          2HB       ASN  61  -8.145   0.225   3.858
  502   2HB   ASN  61          1HB       ASN  61  -9.835  -0.222   4.088
  503   1HD2  ASN  61          2HD2      ASN  61  -7.643  -2.911   1.877
  504   2HD2  ASN  61          1HD2      ASN  61  -7.484  -1.252   1.553
  505    H    MET  62           H        MET  62  -9.227   3.046   2.399
  506    HA   MET  62           HA       MET  62 -11.978   3.327   3.421
  507   1HB   MET  62          2HB       MET  62  -9.559   4.678   3.865
  508   2HB   MET  62          1HB       MET  62 -10.552   5.831   2.977
  509   1HG   MET  62          2HG       MET  62 -11.872   6.200   4.771
  510   2HG   MET  62          1HG       MET  62 -12.135   4.475   5.010
  511   1HE   MET  62          1HE       MET  62 -10.648   2.976   5.747
  512   2HE   MET  62          3HE       MET  62  -9.251   3.176   6.814
  513   3HE   MET  62          2HE       MET  62 -10.883   3.258   7.470
  514    H    TYR  63           H        TYR  63 -10.228   3.889   0.441
  515    HA   TYR  63           HA       TYR  63 -12.383   5.587  -0.647
  516   1HB   TYR  63          2HB       TYR  63  -9.719   4.640  -1.671
  517   2HB   TYR  63          1HB       TYR  63 -10.908   5.318  -2.784
  518    HD1  TYR  63           HD2      TYR  63 -12.030   7.579  -2.000
  519    HD2  TYR  63           HD1      TYR  63  -8.272   6.089  -0.545
  520    HE1  TYR  63           HE2      TYR  63 -11.405   9.866  -1.273
  521    HE2  TYR  63           HE1      TYR  63  -7.648   8.376   0.183
  522    HH   TYR  63           HH       TYR  63  -9.115  11.105  -0.869
  523    H    GLY  64           H        GLY  64 -10.949   2.389  -1.403
  524   1HA   GLY  64          2HA       GLY  64 -13.101   0.803  -1.733
  525   2HA   GLY  64          1HA       GLY  64 -13.238   1.799  -3.181
  526    H    TRP  65           H        TRP  65 -10.556   0.155  -1.467
  527    HA   TRP  65           HA       TRP  65  -9.751  -1.005  -4.107
  528   1HB   TRP  65          2HB       TRP  65  -8.096   0.155  -1.879
  529   2HB   TRP  65          1HB       TRP  65  -7.409  -1.057  -2.957
  530    HD1  TRP  65           HD1      TRP  65  -8.654   2.535  -2.874
  531    HE1  TRP  65           HE1      TRP  65  -7.974   3.706  -5.068
  532    HE3  TRP  65           HE3      TRP  65  -6.880  -1.469  -5.502
  533    HZ2  TRP  65           HZ2      TRP  65  -6.828   3.035  -7.601
  534    HZ3  TRP  65           HZ3      TRP  65  -6.001  -1.175  -7.801
  535    HH2  TRP  65           HH2      TRP  65  -5.974   1.070  -8.853
  536    H    HIS  66           H        HIS  66  -9.955  -3.181  -4.122
  537    HA   HIS  66           HA       HIS  66 -10.004  -4.621  -1.512
  538   1HB   HIS  66          2HB       HIS  66 -11.042  -5.314  -4.267
  539   2HB   HIS  66          1HB       HIS  66 -10.955  -6.498  -2.962
  540    HD1  HIS  66           HD1      HIS  66 -12.992  -6.606  -1.534
  541    HD2  HIS  66           HD2      HIS  66 -12.569  -2.855  -3.304
  542    HE1  HIS  66           HE1      HIS  66 -15.006  -5.247  -0.822
  543    H    LYS  67           H        LYS  67  -7.896  -5.120  -1.044
  544    HA   LYS  67           HA       LYS  67  -5.958  -5.873  -3.066
  545   1HB   LYS  67          2HB       LYS  67  -4.534  -6.449  -1.088
  546   2HB   LYS  67          1HB       LYS  67  -5.209  -4.822  -1.000
  547   1HG   LYS  67          2HG       LYS  67  -6.777  -5.419   0.637
  548   2HG   LYS  67          1HG       LYS  67  -6.683  -7.134   0.240
  549   1HD   LYS  67          2HD       LYS  67  -4.135  -5.920   1.131
  550   2HD   LYS  67          1HD       LYS  67  -5.397  -5.991   2.360
  551   1HE   LYS  67          2HE       LYS  67  -5.654  -8.474   1.351
  552   2HE   LYS  67          1HE       LYS  67  -3.945  -8.210   1.005
  553   1HZ   LYS  67          2HZ       LYS  67  -5.010  -7.544   3.664
  554   2HZ   LYS  67          1HZ       LYS  67  -4.663  -9.163   3.286
  555   3HZ   LYS  67          3HZ       LYS  67  -3.434  -7.996   3.218
  556    H    VAL  68           H        VAL  68  -4.694  -8.054  -2.557
  557    HA   VAL  68           HA       VAL  68  -6.668 -10.214  -2.908
  558    HB   VAL  68           HB       VAL  68  -3.635 -10.337  -2.932
  559   1HG1  VAL  68          3HG1      VAL  68  -5.849 -12.238  -3.687
  560   2HG1  VAL  68          2HG1      VAL  68  -4.262 -12.359  -4.449
  561   3HG1  VAL  68          1HG1      VAL  68  -4.419 -12.545  -2.702
  562   1HG2  VAL  68          1HG2      VAL  68  -4.749  -8.769  -4.625
  563   2HG2  VAL  68          3HG2      VAL  68  -3.740 -10.048  -5.303
  564   3HG2  VAL  68          2HG2      VAL  68  -5.496 -10.211  -5.315
  565    H    GLN  69           H        GLN  69  -7.371 -11.375  -1.191
  566    HA   GLN  69           HA       GLN  69  -6.204 -11.088   1.441
  567   1HB   GLN  69          2HB       GLN  69  -8.662 -11.815   0.565
  568   2HB   GLN  69          1HB       GLN  69  -7.980 -13.407   0.899
  569   1HG   GLN  69          2HG       GLN  69  -7.188 -11.991   3.120
  570   2HG   GLN  69          1HG       GLN  69  -8.758 -11.265   2.773
  571   1HE2  GLN  69          2HE2      GLN  69 -10.347 -14.630   2.995
  572   2HE2  GLN  69          1HE2      GLN  69 -10.231 -13.423   1.807
  573    H    ASP  70           H        ASP  70  -6.683 -14.124  -0.418
  574    HA   ASP  70           HA       ASP  70  -3.933 -14.921  -0.312
  575   1HB   ASP  70          2HB       ASP  70  -4.511 -15.019   2.141
  576   2HB   ASP  70          1HB       ASP  70  -5.693 -16.271   1.753
  577    H    VAL  71           H        VAL  71  -6.015 -14.982  -2.246
  578    HA   VAL  71           HA       VAL  71  -7.025 -17.726  -2.437
  579    HB   VAL  71           HB       VAL  71  -7.015 -15.548  -4.547
  580   1HG1  VAL  71          1HG1      VAL  71  -7.470 -18.041  -5.119
  581   2HG1  VAL  71          3HG1      VAL  71  -8.979 -17.816  -4.234
  582   3HG1  VAL  71          2HG1      VAL  71  -8.643 -16.842  -5.666
  583   1HG2  VAL  71          3HG2      VAL  71  -9.038 -16.229  -2.390
  584   2HG2  VAL  71          2HG2      VAL  71  -8.142 -14.720  -2.555
  585   3HG2  VAL  71          1HG2      VAL  71  -9.364 -15.154  -3.749
  586    H    LYS  72           H        LYS  72  -4.928 -18.833  -2.379
  587    HA   LYS  72           HA       LYS  72  -3.752 -19.054  -5.088
  588   1HB   LYS  72          2HB       LYS  72  -2.268 -18.196  -2.616
  589   2HB   LYS  72          1HB       LYS  72  -1.435 -19.140  -3.852
  590   1HG   LYS  72          2HG       LYS  72  -1.970 -17.484  -5.551
  591   2HG   LYS  72          1HG       LYS  72  -2.949 -16.572  -4.401
  592   1HD   LYS  72          2HD       LYS  72  -0.822 -16.395  -2.973
  593   2HD   LYS  72          1HD       LYS  72   0.048 -16.956  -4.401
  594   1HE   LYS  72          2HE       LYS  72  -1.847 -14.783  -4.975
  595   2HE   LYS  72          1HE       LYS  72  -0.566 -14.321  -3.855
  596   1HZ   LYS  72          3HZ       LYS  72   1.041 -15.270  -5.454
  597   2HZ   LYS  72          2HZ       LYS  72  -0.233 -15.520  -6.550
  598   3HZ   LYS  72          1HZ       LYS  72   0.185 -13.943  -6.073
  599    H    SER  73           H        SER  73  -3.177 -21.169  -5.543
  600    HA   SER  73           HA       SER  73  -4.001 -23.220  -3.646
  601   1HB   SER  73          2HB       SER  73  -2.676 -23.375  -6.364
  602   2HB   SER  73          1HB       SER  73  -3.184 -24.786  -5.440
  603    HG   SER  73           HG       SER  73  -5.026 -24.423  -6.396
  604    H    GLY  74           H        GLY  74  -0.873 -22.756  -5.345
  605   1HA   GLY  74          2HA       GLY  74   1.101 -22.476  -3.711
  606   2HA   GLY  74          1HA       GLY  74   0.457 -23.924  -2.936
  607    H    SER  75           H        SER  75   0.352 -25.894  -4.270
  608    HA   SER  75           HA       SER  75   1.104 -27.411  -5.899
  609   1HB   SER  75          2HB       SER  75   1.197 -25.241  -7.422
  610   2HB   SER  75          1HB       SER  75   2.933 -25.411  -7.180
  611    HG   SER  75           HG       SER  75   1.124 -27.047  -8.527
  612    H    MET  76           H        MET  76   3.871 -25.180  -5.404
  613    HA   MET  76           HA       MET  76   5.172 -26.937  -3.524
  614   1HB   MET  76          2HB       MET  76   5.359 -27.886  -6.077
  615   2HB   MET  76          1HB       MET  76   6.798 -26.870  -5.998
  616   1HG   MET  76          2HG       MET  76   7.678 -28.070  -4.147
  617   2HG   MET  76          1HG       MET  76   6.130 -28.846  -3.812
  618   1HE   MET  76          1HE       MET  76   9.024 -28.265  -5.722
  619   2HE   MET  76          3HE       MET  76   9.631 -29.916  -5.909
  620   3HE   MET  76          2HE       MET  76   8.858 -29.099  -7.265
  621    H    LEU  77           H        LEU  77   6.097 -24.721  -6.197
  622    HA   LEU  77           HA       LEU  77   8.128 -23.421  -4.577
  623   1HB   LEU  77          2HB       LEU  77   7.622 -23.558  -7.270
  624   2HB   LEU  77          1HB       LEU  77   7.056 -21.929  -6.896
  625    HG   LEU  77           HG       LEU  77   9.686 -22.820  -5.774
  626   1HD1  LEU  77          3HD1      LEU  77   9.119 -22.106  -8.654
  627   2HD1  LEU  77          2HD1      LEU  77  10.700 -21.823  -7.926
  628   3HD1  LEU  77          1HD1      LEU  77  10.057 -23.461  -8.026
  629   1HD2  LEU  77          3HD2      LEU  77   8.522 -20.607  -5.269
  630   2HD2  LEU  77          2HD2      LEU  77  10.174 -20.475  -5.873
  631   3HD2  LEU  77          1HD2      LEU  77   8.813 -20.171  -6.954
  632    H    SER  78           H        SER  78   5.018 -22.237  -5.914
  633    HA   SER  78           HA       SER  78   3.526 -20.626  -5.101
  634   1HB   SER  78          2HB       SER  78   3.841 -22.241  -3.051
  635   2HB   SER  78          1HB       SER  78   4.752 -20.896  -2.371
  636    HG   SER  78           HG       SER  78   2.692 -20.505  -1.783
  637    H    ASN  79           H        ASN  79   4.264 -18.739  -6.053
  638    HA   ASN  79           HA       ASN  79   6.551 -17.291  -4.856
  639   1HB   ASN  79          2HB       ASN  79   5.880 -17.520  -7.424
  640   2HB   ASN  79          1HB       ASN  79   4.859 -16.134  -7.043
  641   1HD2  ASN  79          2HD2      ASN  79   7.577 -13.874  -6.739
  642   2HD2  ASN  79          1HD2      ASN  79   5.910 -14.105  -6.521
  643    H    ASN  80           H        ASN  80   6.308 -15.240  -3.849
  644    HA   ASN  80           HA       ASN  80   3.890 -13.752  -3.668
  645   1HB   ASN  80          2HB       ASN  80   3.678 -16.120  -2.232
  646   2HB   ASN  80          1HB       ASN  80   4.144 -14.953  -0.995
  647   1HD2  ASN  80          2HD2      ASN  80   0.766 -13.970  -0.792
  648   2HD2  ASN  80          1HD2      ASN  80   2.147 -14.529   0.023
  649    H    ASP  81           H        ASP  81   6.847 -14.781  -2.027
  650    HA   ASP  81           HA       ASP  81   7.234 -12.723  -0.180
  651   1HB   ASP  81          2HB       ASP  81   8.742 -14.795  -1.026
  652   2HB   ASP  81          1HB       ASP  81   9.605 -13.472  -1.811
  653    H    SER  82           H        SER  82   7.160 -10.564  -0.457
  654    HA   SER  82           HA       SER  82   7.449  -8.438  -1.389
  655   1HB   SER  82          2HB       SER  82   9.504  -9.678  -3.228
  656   2HB   SER  82          1HB       SER  82   9.444  -8.027  -2.617
  657    HG   SER  82           HG       SER  82  10.255 -10.390  -1.371
  658    H    ARG  83           H        ARG  83   5.264  -9.623  -2.327
  659    HA   ARG  83           HA       ARG  83   5.129  -8.680  -5.116
  660   1HB   ARG  83          2HB       ARG  83   5.172 -11.516  -4.385
  661   2HB   ARG  83          1HB       ARG  83   3.708 -11.082  -5.265
  662   1HG   ARG  83          2HG       ARG  83   5.676  -9.753  -6.689
  663   2HG   ARG  83          1HG       ARG  83   6.483 -11.249  -6.221
  664   1HD   ARG  83          2HD       ARG  83   5.179 -12.519  -7.584
  665   2HD   ARG  83          1HD       ARG  83   3.716 -11.618  -7.181
  666    HE   ARG  83           HE       ARG  83   5.696 -10.329  -8.983
  667   1HH1  ARG  83          1HH2      ARG  83   2.744  -9.559  -8.382
  668   2HH1  ARG  83          2HH2      ARG  83   2.002 -10.018  -9.879
  669   1HH2  ARG  83          2HH1      ARG  83   4.708 -11.904 -10.946
  670   2HH2  ARG  83          1HH1      ARG  83   3.114 -11.346 -11.328
  671    H    TRP  84           H        TRP  84   3.682  -7.094  -4.360
  672    HA   TRP  84           HA       TRP  84   1.167  -8.078  -3.091
  673   1HB   TRP  84          2HB       TRP  84   2.313  -5.278  -3.305
  674   2HB   TRP  84          1HB       TRP  84   0.776  -5.680  -2.539
  675    HD1  TRP  84           HD1      TRP  84   4.417  -6.974  -2.287
  676    HE1  TRP  84           HE1      TRP  84   4.963  -7.348   0.204
  677    HE3  TRP  84           HE3      TRP  84  -0.046  -5.635  -0.193
  678    HZ2  TRP  84           HZ2      TRP  84   3.676  -7.117   2.749
  679    HZ3  TRP  84           HZ3      TRP  84  -0.358  -5.721   2.265
  680    HH2  TRP  84           HH2      TRP  84   1.497  -6.462   3.737
  681    H    GLU  85           H        GLU  85  -0.865  -7.035  -3.888
  682    HA   GLU  85           HA       GLU  85  -0.791  -5.911  -6.610
  683   1HB   GLU  85          2HB       GLU  85  -1.394  -8.723  -6.067
  684   2HB   GLU  85          1HB       GLU  85  -2.734  -7.911  -6.877
  685   1HG   GLU  85          2HG       GLU  85  -1.392  -7.298  -8.730
  686   2HG   GLU  85          1HG       GLU  85   0.108  -7.620  -7.856
  687    H    PHE  86           H        PHE  86  -2.322  -4.332  -6.652
  688    HA   PHE  86           HA       PHE  86  -4.609  -4.562  -4.735
  689   1HB   PHE  86          2HB       PHE  86  -3.641  -1.962  -5.932
  690   2HB   PHE  86          1HB       PHE  86  -4.626  -2.203  -4.493
  691    HD1  PHE  86           HD2      PHE  86  -3.007  -4.431  -3.188
  692    HD2  PHE  86           HD1      PHE  86  -1.810  -0.746  -5.048
  693    HE1  PHE  86           HE2      PHE  86  -0.950  -4.395  -1.802
  694    HE2  PHE  86           HE1      PHE  86   0.243  -0.714  -3.656
  695    HZ   PHE  86           HZ       PHE  86   0.671  -2.538  -2.035
  696    H    GLU  87           H        GLU  87  -6.567  -4.826  -5.683
  697    HA   GLU  87           HA       GLU  87  -6.832  -4.062  -8.564
  698   1HB   GLU  87          2HB       GLU  87  -7.081  -6.519  -7.884
  699   2HB   GLU  87          1HB       GLU  87  -8.575  -6.037  -7.079
  700   1HG   GLU  87          2HG       GLU  87  -9.552  -5.296  -9.136
  701   2HG   GLU  87          1HG       GLU  87  -8.012  -5.415  -9.987
  702    H    ASN  88           H        ASN  88  -8.467  -2.687  -9.147
  703    HA   ASN  88           HA       ASN  88 -10.173  -1.625  -6.940
  704   1HB   ASN  88          2HB       ASN  88  -8.548  -0.252  -8.676
  705   2HB   ASN  88          1HB       ASN  88 -10.099  -0.159  -9.509
  706   1HD2  ASN  88          2HD2      ASN  88 -10.706   2.649  -7.416
  707   2HD2  ASN  88          1HD2      ASN  88 -10.365   2.131  -8.995
  708    H    GLU  89           H        GLU  89 -12.345  -2.009  -7.048
  709    HA   GLU  89           HA       GLU  89 -13.456  -2.915  -9.672
  710   1HB   GLU  89          2HB       GLU  89 -14.169  -3.976  -6.920
  711   2HB   GLU  89          1HB       GLU  89 -14.892  -4.495  -8.444
  712   1HG   GLU  89          2HG       GLU  89 -11.912  -4.590  -8.180
  713   2HG   GLU  89          1HG       GLU  89 -12.865  -5.842  -7.382
  714    H    ARG  90           H        ARG  90 -13.705  -0.315  -9.296
  715    HA   ARG  90           HA       ARG  90 -16.294   0.204  -7.915
  716   1HB   ARG  90          2HB       ARG  90 -14.039   1.965  -8.858
  717   2HB   ARG  90          1HB       ARG  90 -15.636   2.647  -8.564
  718   1HG   ARG  90          2HG       ARG  90 -15.159   1.042  -6.319
  719   2HG   ARG  90          1HG       ARG  90 -13.603   1.806  -6.643
  720   1HD   ARG  90          2HD       ARG  90 -16.129   3.446  -6.658
  721   2HD   ARG  90          1HD       ARG  90 -15.328   3.062  -5.136
  722    HE   ARG  90           HE       ARG  90 -13.817   4.400  -7.338
  723   1HH1  ARG  90          1HH2      ARG  90 -12.012   4.273  -5.291
  724   2HH1  ARG  90          2HH2      ARG  90 -12.376   5.565  -4.197
  725   1HH2  ARG  90          2HH1      ARG  90 -15.586   6.046  -5.416
  726   2HH2  ARG  90          1HH1      ARG  90 -14.401   6.567  -4.266
  727    H    HIS  91           H        HIS  91 -18.090   0.936  -9.076
  728    HA   HIS  91           HA       HIS  91 -17.847   1.512 -11.955
  729   1HB   HIS  91          2HB       HIS  91 -18.018  -1.004 -11.726
  730   2HB   HIS  91          1HB       HIS  91 -19.611  -0.762 -11.012
  731    HD1  HIS  91           HD1      HIS  91 -19.418  -2.275 -13.667
  732    HD2  HIS  91           HD2      HIS  91 -19.962   1.852 -13.431
  733    HE1  HIS  91           HE1      HIS  91 -20.458  -1.563 -15.864
  734    H    ALA  92           HN       ALA  92 -18.726   3.567 -11.348
  735    HA   ALA  92           HA       ALA  92 -21.658   3.479 -10.812
  736   1HB   ALA  92          1HB       ALA  92 -19.547   4.786  -9.179
  737   2HB   ALA  92          3HB       ALA  92 -20.992   5.750  -9.490
  738   3HB   ALA  92          2HB       ALA  92 -21.132   4.182  -8.697
   
  No H/Q in entry =         738
  Start of MODEL          24
 Raw file had  756 H/Q atoms
  Start of MODEL   24
    1   1H    ALA   1          1H        ALA   1 -11.627  16.120  -8.403
    2   2H    ALA   1          3H        ALA   1 -11.856  15.482  -9.958
    3   3H    ALA   1          2H        ALA   1 -13.047  16.474  -9.264
    4    HA   ALA   1           HA       ALA   1 -13.939  14.381  -8.969
    5   1HB   ALA   1          3HB       ALA   1 -11.561  13.417  -9.624
    6   2HB   ALA   1          2HB       ALA   1 -11.384  13.254  -7.876
    7   3HB   ALA   1          1HB       ALA   1 -12.701  12.429  -8.709
    8    H    ARG   2           H        ARG   2 -14.264  13.093  -6.812
    9    HA   ARG   2           HA       ARG   2 -14.306  15.081  -4.655
   10   1HB   ARG   2          2HB       ARG   2 -15.227  12.203  -4.487
   11   2HB   ARG   2          1HB       ARG   2 -15.704  13.546  -3.457
   12   1HG   ARG   2          2HG       ARG   2 -16.670  14.660  -5.513
   13   2HG   ARG   2          1HG       ARG   2 -16.381  13.151  -6.381
   14   1HD   ARG   2          2HD       ARG   2 -17.873  13.088  -3.773
   15   2HD   ARG   2          1HD       ARG   2 -18.720  13.570  -5.243
   16    HE   ARG   2           HE       ARG   2 -17.365  10.921  -4.914
   17   1HH1  ARG   2          2HH1      ARG   2 -17.977  11.611  -7.719
   18   2HH1  ARG   2          1HH1      ARG   2 -19.577  10.985  -7.932
   19   1HH2  ARG   2          1HH2      ARG   2 -20.211  10.706  -4.536
   20   2HH2  ARG   2          2HH2      ARG   2 -20.841  10.473  -6.133
   21    HA   PRO   3           HA       PRO   3 -11.430  12.019  -2.627
   22   1HB   PRO   3          2HB       PRO   3 -10.253   9.995  -4.039
   23   2HB   PRO   3          1HB       PRO   3 -11.795   9.821  -3.187
   24   1HG   PRO   3          2HG       PRO   3 -11.285  10.036  -6.103
   25   2HG   PRO   3          1HG       PRO   3 -12.652   9.298  -5.251
   26   1HD   PRO   3          2HD       PRO   3 -12.627  11.843  -6.505
   27   2HD   PRO   3          1HD       PRO   3 -13.889  11.199  -5.442
   28    H    ALA   4           H        ALA   4  -9.995  13.797  -2.650
   29    HA   ALA   4           HA       ALA   4  -8.291  14.519  -4.831
   30   1HB   ALA   4          2HB       ALA   4  -8.832  15.892  -2.728
   31   2HB   ALA   4          1HB       ALA   4  -7.608  14.919  -1.911
   32   3HB   ALA   4          3HB       ALA   4  -7.159  15.934  -3.282
   33    H    PHE   5           H        PHE   5  -8.056  12.040  -2.374
   34    HA   PHE   5           HA       PHE   5  -5.227  11.541  -2.581
   35   1HB   PHE   5          2HB       PHE   5  -6.632  10.708  -0.705
   36   2HB   PHE   5          1HB       PHE   5  -7.475   9.640  -1.824
   37    HD1  PHE   5           HD2      PHE   5  -4.131  10.410  -0.368
   38    HD2  PHE   5           HD1      PHE   5  -6.547   7.549  -2.473
   39    HE1  PHE   5           HE2      PHE   5  -2.356   8.702  -0.084
   40    HE2  PHE   5           HE1      PHE   5  -4.771   5.842  -2.192
   41    HZ   PHE   5           HZ       PHE   5  -2.675   6.417  -0.997
   42    H    VAL   6           H        VAL   6  -8.066  10.378  -4.359
   43    HA   VAL   6           HA       VAL   6  -6.634   8.369  -5.872
   44    HB   VAL   6           HB       VAL   6  -9.218   9.823  -6.541
   45   1HG1  VAL   6          3HG1      VAL   6  -8.006   7.240  -7.579
   46   2HG1  VAL   6          2HG1      VAL   6  -9.649   7.781  -7.922
   47   3HG1  VAL   6          1HG1      VAL   6  -8.274   8.718  -8.504
   48   1HG2  VAL   6          2HG2      VAL   6  -8.864   8.362  -4.335
   49   2HG2  VAL   6          1HG2      VAL   6 -10.354   8.256  -5.274
   50   3HG2  VAL   6          3HG2      VAL   6  -9.098   7.033  -5.471
   51    H    ASN   7           H        ASN   7  -7.350  11.802  -6.319
   52    HA   ASN   7           HA       ASN   7  -6.513  12.040  -9.043
   53   1HB   ASN   7          2HB       ASN   7  -6.430  14.030  -6.757
   54   2HB   ASN   7          1HB       ASN   7  -6.093  14.451  -8.436
   55   1HD2  ASN   7          2HD2      ASN   7  -9.497  14.485  -9.382
   56   2HD2  ASN   7          1HD2      ASN   7  -7.884  14.676  -9.874
   57    H    LYS   8           H        LYS   8  -4.685  12.504  -6.009
   58    HA   LYS   8           HA       LYS   8  -2.156  12.932  -7.361
   59   1HB   LYS   8          2HB       LYS   8  -1.203  12.650  -5.065
   60   2HB   LYS   8          1HB       LYS   8  -2.515  13.827  -5.123
   61   1HG   LYS   8          2HG       LYS   8  -4.051  12.348  -4.117
   62   2HG   LYS   8          1HG       LYS   8  -3.060  10.934  -4.477
   63   1HD   LYS   8          2HD       LYS   8  -2.849  11.443  -2.109
   64   2HD   LYS   8          1HD       LYS   8  -1.320  11.822  -2.906
   65   1HE   LYS   8          2HE       LYS   8  -1.705  13.727  -1.582
   66   2HE   LYS   8          1HE       LYS   8  -2.312  14.216  -3.164
   67   1HZ   LYS   8          3HZ       LYS   8  -4.131  12.916  -1.256
   68   2HZ   LYS   8          2HZ       LYS   8  -3.758  14.562  -1.058
   69   3HZ   LYS   8          1HZ       LYS   8  -4.482  14.018  -2.497
   70    H    LEU   9           H        LEU   9  -3.957  10.116  -6.421
   71    HA   LEU   9           HA       LEU   9  -1.763   8.265  -6.194
   72   1HB   LEU   9          2HB       LEU   9  -4.077   7.834  -5.345
   73   2HB   LEU   9          1HB       LEU   9  -4.634   7.724  -7.014
   74    HG   LEU   9           HG       LEU   9  -2.948   5.884  -7.375
   75   1HD1  LEU   9          3HD1      LEU   9  -2.686   6.199  -4.372
   76   2HD1  LEU   9          2HD1      LEU   9  -2.131   4.779  -5.258
   77   3HD1  LEU   9          1HD1      LEU   9  -1.404   6.355  -5.573
   78   1HD2  LEU   9          1HD2      LEU   9  -5.033   5.476  -5.206
   79   2HD2  LEU   9          3HD2      LEU   9  -5.313   5.375  -6.944
   80   3HD2  LEU   9          2HD2      LEU   9  -4.287   4.182  -6.145
   81    H    TRP  10           H        TRP  10  -3.842   9.305  -8.861
   82    HA   TRP  10           HA       TRP  10  -2.772   7.472 -10.816
   83   1HB   TRP  10          2HB       TRP  10  -4.488   9.912 -10.837
   84   2HB   TRP  10          1HB       TRP  10  -3.725   9.446 -12.352
   85    HD1  TRP  10           HD1      TRP  10  -6.238   8.948 -13.210
   86    HE1  TRP  10           HE1      TRP  10  -7.682   6.828 -13.001
   87    HE3  TRP  10           HE3      TRP  10  -3.789   6.553  -9.399
   88    HZ2  TRP  10           HZ2      TRP  10  -7.791   4.442 -11.442
   89    HZ3  TRP  10           HZ3      TRP  10  -4.593   4.366  -8.580
   90    HH2  TRP  10           HH2      TRP  10  -6.589   3.305  -9.595
   91    H    SER  11           H        SER  11  -1.356  10.213  -9.339
   92    HA   SER  11           HA       SER  11   0.204  10.965 -11.728
   93   1HB   SER  11          2HB       SER  11  -0.428  12.189  -9.139
   94   2HB   SER  11          1HB       SER  11   1.256  12.398  -9.611
   95    HG   SER  11           HG       SER  11  -1.076  13.068 -11.084
   96    H    MET  12           H        MET  12   0.673   9.224  -8.670
   97    HA   MET  12           HA       MET  12   3.580   9.032  -9.211
   98   1HB   MET  12          2HB       MET  12   3.760   7.902  -7.099
   99   2HB   MET  12          1HB       MET  12   2.797   9.356  -6.870
  100   1HG   MET  12          2HG       MET  12   0.796   7.630  -7.346
  101   2HG   MET  12          1HG       MET  12   1.981   6.480  -6.726
  102   1HE   MET  12          3HE       MET  12   1.999   5.754  -4.870
  103   2HE   MET  12          2HE       MET  12   2.792   6.748  -3.656
  104   3HE   MET  12          1HE       MET  12   1.114   6.278  -3.432
  105    H    VAL  13           H        VAL  13   0.702   6.971  -9.251
  106    HA   VAL  13           HA       VAL  13   2.190   4.538  -9.740
  107    HB   VAL  13           HB       VAL  13  -0.707   5.055 -10.450
  108   1HG1  VAL  13          3HG1      VAL  13   1.061   2.789 -10.658
  109   2HG1  VAL  13          2HG1      VAL  13  -0.178   2.431  -9.455
  110   3HG1  VAL  13          1HG1      VAL  13  -0.644   2.893 -11.090
  111   1HG2  VAL  13          1HG2      VAL  13  -0.007   5.627  -8.027
  112   2HG2  VAL  13          3HG2      VAL  13  -1.313   4.460  -8.222
  113   3HG2  VAL  13          2HG2      VAL  13   0.317   3.905  -7.843
  114    H    ASN  14           H        ASN  14   1.600   7.229 -11.739
  115    HA   ASN  14           HA       ASN  14   1.121   6.017 -14.268
  116   1HB   ASN  14          2HB       ASN  14   2.260   8.052 -15.211
  117   2HB   ASN  14          1HB       ASN  14   0.992   8.427 -14.047
  118   1HD2  ASN  14          2HD2      ASN  14   3.769  10.543 -12.954
  119   2HD2  ASN  14          1HD2      ASN  14   2.588  10.503 -14.172
  120    H    ASP  15           H        ASP  15   3.941   5.995 -12.247
  121    HA   ASP  15           HA       ASP  15   5.958   4.844 -12.472
  122   1HB   ASP  15          2HB       ASP  15   5.020   3.845 -15.166
  123   2HB   ASP  15          1HB       ASP  15   6.163   3.090 -14.058
  124    H    LYS  16           H        LYS  16   5.737   7.558 -13.324
  125    HA   LYS  16           HA       LYS  16   7.369   7.673 -15.795
  126   1HB   LYS  16          2HB       LYS  16   5.815   9.668 -14.181
  127   2HB   LYS  16          1HB       LYS  16   7.158  10.250 -15.167
  128   1HG   LYS  16          2HG       LYS  16   6.189   9.208 -17.159
  129   2HG   LYS  16          1HG       LYS  16   4.876   8.535 -16.193
  130   1HD   LYS  16          2HD       LYS  16   4.680  11.164 -15.515
  131   2HD   LYS  16          1HD       LYS  16   5.277  11.308 -17.169
  132   1HE   LYS  16          2HE       LYS  16   3.451   9.717 -17.879
  133   2HE   LYS  16          1HE       LYS  16   2.802   9.824 -16.243
  134   1HZ   LYS  16          3HZ       LYS  16   2.748  12.284 -16.578
  135   2HZ   LYS  16          2HZ       LYS  16   3.105  12.014 -18.218
  136   3HZ   LYS  16          1HZ       LYS  16   1.665  11.410 -17.547
  137    H    SER  17           H        SER  17   7.599   9.365 -12.637
  138    HA   SER  17           HA       SER  17  10.539   9.375 -12.891
  139   1HB   SER  17          2HB       SER  17   8.604  11.041 -11.645
  140   2HB   SER  17          1HB       SER  17   9.631  10.407 -10.363
  141    HG   SER  17           HG       SER  17  10.258  12.019 -12.561
  142    H    ASN  18           H        ASN  18   8.494   7.028 -11.925
  143    HA   ASN  18           HA       ASN  18  10.441   5.976  -9.923
  144   1HB   ASN  18          2HB       ASN  18   7.446   5.652  -9.610
  145   2HB   ASN  18          1HB       ASN  18   8.705   5.279  -8.434
  146   1HD2  ASN  18          2HD2      ASN  18   7.093   8.952  -8.445
  147   2HD2  ASN  18          1HD2      ASN  18   6.440   7.646  -9.308
  148    H    GLU  19           H        GLU  19   9.957   5.497 -12.795
  149    HA   GLU  19           HA       GLU  19   8.474   3.076 -13.198
  150   1HB   GLU  19          2HB       GLU  19   9.598   3.049 -15.397
  151   2HB   GLU  19          1HB       GLU  19   9.017   4.653 -15.006
  152   1HG   GLU  19          2HG       GLU  19  11.462   4.888 -13.959
  153   2HG   GLU  19          1HG       GLU  19  11.816   3.668 -15.181
  154    H    LYS  20           H        LYS  20   9.225   1.672 -11.499
  155    HA   LYS  20           HA       LYS  20  11.048  -0.321 -12.194
  156   1HB   LYS  20          2HB       LYS  20  12.841   1.423 -11.986
  157   2HB   LYS  20          1HB       LYS  20  12.358   1.685 -10.313
  158   1HG   LYS  20          2HG       LYS  20  12.807  -0.768  -9.901
  159   2HG   LYS  20          1HG       LYS  20  13.493  -0.850 -11.523
  160   1HD   LYS  20          2HD       LYS  20  15.194   0.773 -10.957
  161   2HD   LYS  20          1HD       LYS  20  14.442   1.082  -9.391
  162   1HE   LYS  20          2HE       LYS  20  15.052  -1.038  -8.547
  163   2HE   LYS  20          1HE       LYS  20  15.358  -1.688 -10.158
  164   1HZ   LYS  20          3HZ       LYS  20  17.221  -0.116 -10.352
  165   2HZ   LYS  20          2HZ       LYS  20  16.955   0.382  -8.750
  166   3HZ   LYS  20          1HZ       LYS  20  17.431  -1.216  -9.078
  167    H    PHE  21           H        PHE  21   9.641   1.611  -9.592
  168    HA   PHE  21           HA       PHE  21   9.701  -0.746  -7.782
  169   1HB   PHE  21          2HB       PHE  21   8.706   2.049  -7.178
  170   2HB   PHE  21          1HB       PHE  21   9.108   0.785  -6.016
  171    HD1  PHE  21           HD1      PHE  21  11.604  -0.300  -6.694
  172    HD2  PHE  21           HD2      PHE  21  10.288   3.753  -7.230
  173    HE1  PHE  21           HE1      PHE  21  13.962   0.468  -6.687
  174    HE2  PHE  21           HE2      PHE  21  12.647   4.520  -7.221
  175    HZ   PHE  21           HZ       PHE  21  14.485   2.877  -6.949
  176    H    ILE  22           H        ILE  22   7.461   1.077  -9.748
  177    HA   ILE  22           HA       ILE  22   5.329  -0.832  -8.961
  178    HB   ILE  22           HB       ILE  22   4.982   1.131  -7.523
  179   1HG1  ILE  22          2HG1      ILE  22   2.919   1.341  -9.714
  180   2HG1  ILE  22          1HG1      ILE  22   3.050  -0.123  -8.741
  181   1HG2  ILE  22          1HG2      ILE  22   5.505   2.542 -10.068
  182   2HG2  ILE  22          3HG2      ILE  22   4.191   3.212  -9.103
  183   3HG2  ILE  22          2HG2      ILE  22   5.805   3.056  -8.410
  184   1HD1  ILE  22          3HD1      ILE  22   3.094   2.268  -7.072
  185   2HD1  ILE  22          2HD1      ILE  22   1.638   2.197  -8.064
  186   3HD1  ILE  22          1HD1      ILE  22   2.034   0.861  -6.983
  187    H    HIS  23           H        HIS  23   3.631  -0.998 -10.590
  188    HA   HIS  23           HA       HIS  23   3.795   0.525 -13.048
  189   1HB   HIS  23          2HB       HIS  23   4.392  -1.444 -14.495
  190   2HB   HIS  23          1HB       HIS  23   5.719  -0.862 -13.491
  191    HD1  HIS  23           HD1      HIS  23   3.397  -3.759 -13.942
  192    HD2  HIS  23           HD2      HIS  23   6.429  -2.601 -11.325
  193    HE1  HIS  23           HE1      HIS  23   3.994  -5.812 -12.585
  194    H    TRP  24           H        TRP  24   2.070   0.085 -14.468
  195    HA   TRP  24           HA       TRP  24  -0.311  -0.981 -13.229
  196   1HB   TRP  24          2HB       TRP  24   0.363  -0.051 -16.026
  197   2HB   TRP  24          1HB       TRP  24  -1.222  -0.701 -15.623
  198    HD1  TRP  24           HD1      TRP  24   0.839   1.567 -13.288
  199    HE1  TRP  24           HE1      TRP  24  -0.492   3.738 -12.896
  200    HE3  TRP  24           HE3      TRP  24  -3.037   0.826 -16.529
  201    HZ2  TRP  24           HZ2      TRP  24  -2.881   4.996 -13.831
  202    HZ3  TRP  24           HZ3      TRP  24  -4.824   2.527 -16.760
  203    HH2  TRP  24           HH2      TRP  24  -4.751   4.610 -15.417
  204    H    SER  25           H        SER  25  -1.360  -2.946 -13.637
  205    HA   SER  25           HA       SER  25   0.306  -5.079 -14.830
  206   1HB   SER  25          2HB       SER  25  -1.232  -6.611 -13.806
  207   2HB   SER  25          1HB       SER  25  -0.971  -5.329 -12.627
  208    HG   SER  25           HG       SER  25  -2.901  -4.340 -13.575
  209    H    THR  26           H        THR  26  -1.967  -6.698 -15.733
  210    HA   THR  26           HA       THR  26  -2.215  -5.748 -18.419
  211    HB   THR  26           HB       THR  26  -4.051  -7.683 -16.972
  212    HG1  THR  26           HG1      THR  26  -2.476  -9.052 -17.091
  213   1HG2  THR  26          3HG2      THR  26  -3.726  -6.788 -19.771
  214   2HG2  THR  26          2HG2      THR  26  -3.814  -8.536 -19.554
  215   3HG2  THR  26          1HG2      THR  26  -5.124  -7.508 -18.974
  216    H    SER  27           H        SER  27  -3.746  -4.431 -19.374
  217    HA   SER  27           HA       SER  27  -5.532  -2.916 -19.543
  218   1HB   SER  27          2HB       SER  27  -6.752  -5.059 -18.615
  219   2HB   SER  27          1HB       SER  27  -6.815  -4.141 -17.112
  220    HG   SER  27           HG       SER  27  -8.383  -3.922 -19.224
  221    H    GLY  28           H        GLY  28  -6.873  -1.355 -17.899
  222   1HA   GLY  28          2HA       GLY  28  -4.809  -0.281 -16.019
  223   2HA   GLY  28          1HA       GLY  28  -5.980   0.724 -16.872
  224    H    GLU  29           H        GLU  29  -5.618  -1.672 -14.299
  225    HA   GLU  29           HA       GLU  29  -7.559  -0.421 -12.613
  226   1HB   GLU  29          2HB       GLU  29  -9.299  -2.220 -12.671
  227   2HB   GLU  29          1HB       GLU  29  -9.215  -1.297 -14.171
  228   1HG   GLU  29          2HG       GLU  29  -7.523  -3.166 -14.909
  229   2HG   GLU  29          1HG       GLU  29  -8.285  -4.103 -13.624
  230    H    SER  30           H        SER  30  -4.910  -1.508 -12.439
  231    HA   SER  30           HA       SER  30  -5.143  -2.999  -9.986
  232   1HB   SER  30          2HB       SER  30  -3.683  -4.931 -11.313
  233   2HB   SER  30          1HB       SER  30  -5.384  -5.069 -10.881
  234    HG   SER  30           HG       SER  30  -5.283  -5.425 -13.046
  235    H    ILE  31           H        ILE  31  -3.277  -2.683  -8.839
  236    HA   ILE  31           HA       ILE  31  -0.922  -1.622 -10.350
  237    HB   ILE  31           HB       ILE  31  -1.654  -1.170  -7.436
  238   1HG1  ILE  31          2HG1      ILE  31  -1.818   0.807  -9.726
  239   2HG1  ILE  31          1HG1      ILE  31  -3.205  -0.145  -9.196
  240   1HG2  ILE  31          2HG2      ILE  31   0.423   0.110  -9.244
  241   2HG2  ILE  31          1HG2      ILE  31   0.089   0.581  -7.578
  242   3HG2  ILE  31          3HG2      ILE  31   0.761  -1.012  -7.926
  243   1HD1  ILE  31          3HD1      ILE  31  -2.845   0.759  -6.873
  244   2HD1  ILE  31          2HD1      ILE  31  -1.612   1.829  -7.540
  245   3HD1  ILE  31          1HD1      ILE  31  -3.290   1.988  -8.057
  246    H    VAL  32           H        VAL  32   1.038  -2.651 -10.081
  247    HA   VAL  32           HA       VAL  32   1.073  -4.979  -8.198
  248    HB   VAL  32           HB       VAL  32   2.620  -4.670 -10.790
  249   1HG1  VAL  32          3HG1      VAL  32   3.291  -6.222  -8.698
  250   2HG1  VAL  32          2HG1      VAL  32   2.112  -7.289  -9.462
  251   3HG1  VAL  32          1HG1      VAL  32   3.523  -6.743 -10.366
  252   1HG2  VAL  32          2HG2      VAL  32   0.081  -4.872 -10.989
  253   2HG2  VAL  32          1HG2      VAL  32   1.011  -6.134 -11.797
  254   3HG2  VAL  32          3HG2      VAL  32   0.242  -6.462 -10.246
  255    H    VAL  33           H        VAL  33   2.566  -4.859  -6.609
  256    HA   VAL  33           HA       VAL  33   4.810  -2.905  -6.927
  257    HB   VAL  33           HB       VAL  33   3.467  -3.906  -4.392
  258   1HG1  VAL  33          1HG1      VAL  33   5.638  -1.828  -4.823
  259   2HG1  VAL  33          3HG1      VAL  33   4.838  -2.153  -3.286
  260   3HG1  VAL  33          2HG1      VAL  33   5.843  -3.394  -4.036
  261   1HG2  VAL  33          3HG2      VAL  33   2.082  -2.353  -5.749
  262   2HG2  VAL  33          2HG2      VAL  33   2.590  -1.619  -4.228
  263   3HG2  VAL  33          1HG2      VAL  33   3.402  -1.185  -5.733
  264    HA   PRO  34           HA       PRO  34   6.718  -7.047  -6.764
  265   1HB   PRO  34          2HB       PRO  34   8.970  -6.383  -8.188
  266   2HB   PRO  34          1HB       PRO  34   7.467  -6.946  -8.940
  267   1HG   PRO  34          2HG       PRO  34   8.599  -4.195  -8.838
  268   2HG   PRO  34          1HG       PRO  34   7.523  -4.925 -10.042
  269   1HD   PRO  34          2HD       PRO  34   6.736  -3.156  -7.993
  270   2HD   PRO  34          1HD       PRO  34   5.654  -4.167  -8.969
  271    H    ASN  35           H        ASN  35   8.217  -3.850  -6.364
  272    HA   ASN  35           HA       ASN  35   9.813  -4.973  -4.093
  273   1HB   ASN  35          2HB       ASN  35  10.528  -3.082  -6.283
  274   2HB   ASN  35          1HB       ASN  35  11.174  -2.723  -4.681
  275   1HD2  ASN  35          2HD2      ASN  35  12.972  -5.923  -4.558
  276   2HD2  ASN  35          1HD2      ASN  35  11.953  -5.003  -3.562
  277    H    ARG  36           H        ARG  36   7.908  -4.482  -2.753
  278    HA   ARG  36           HA       ARG  36   6.999  -1.725  -2.487
  279   1HB   ARG  36          2HB       ARG  36   5.557  -3.716  -2.013
  280   2HB   ARG  36          1HB       ARG  36   6.572  -4.073  -0.617
  281   1HG   ARG  36          2HG       ARG  36   5.626  -2.439   0.639
  282   2HG   ARG  36          1HG       ARG  36   5.639  -1.283  -0.694
  283   1HD   ARG  36          2HD       ARG  36   3.491  -1.742  -1.252
  284   2HD   ARG  36          1HD       ARG  36   3.731  -3.482  -1.096
  285    HE   ARG  36           HE       ARG  36   3.017  -3.339   1.173
  286   1HH1  ARG  36          2HH1      ARG  36   4.641  -0.799   1.743
  287   2HH1  ARG  36          1HH1      ARG  36   3.372   0.318   2.122
  288   1HH2  ARG  36          1HH2      ARG  36   0.861  -1.664   0.788
  289   2HH2  ARG  36          2HH2      ARG  36   1.237  -0.171   1.582
  290    H    GLU  37           H        GLU  37   9.354  -3.793  -0.911
  291    HA   GLU  37           HA       GLU  37   9.770  -2.137   1.411
  292   1HB   GLU  37          2HB       GLU  37  11.855  -3.450   1.685
  293   2HB   GLU  37          1HB       GLU  37  10.471  -4.493   1.360
  294   1HG   GLU  37          2HG       GLU  37  11.111  -4.695  -0.982
  295   2HG   GLU  37          1HG       GLU  37  12.419  -3.533  -0.758
  296    H    ARG  38           H        ARG  38  11.102  -2.129  -1.853
  297    HA   ARG  38           HA       ARG  38  13.179  -0.164  -1.177
  298   1HB   ARG  38          2HB       ARG  38  13.309  -1.970  -3.020
  299   2HB   ARG  38          1HB       ARG  38  12.277  -0.896  -3.963
  300   1HG   ARG  38          2HG       ARG  38  14.491  -0.297  -4.577
  301   2HG   ARG  38          1HG       ARG  38  13.987   0.946  -3.430
  302   1HD   ARG  38          2HD       ARG  38  15.979   0.425  -2.433
  303   2HD   ARG  38          1HD       ARG  38  15.024  -0.868  -1.709
  304    HE   ARG  38           HE       ARG  38  16.452  -1.388  -4.270
  305   1HH1  ARG  38          2HH1      ARG  38  14.955  -3.234  -2.168
  306   2HH1  ARG  38          1HH1      ARG  38  16.321  -4.103  -1.554
  307   1HH2  ARG  38          1HH2      ARG  38  18.653  -1.944  -2.936
  308   2HH2  ARG  38          2HH2      ARG  38  18.412  -3.374  -1.989
  309    H    PHE  39           H        PHE  39  10.031  -0.200  -2.798
  310    HA   PHE  39           HA       PHE  39   9.930   2.395  -3.860
  311   1HB   PHE  39          2HB       PHE  39   8.136   0.785  -4.224
  312   2HB   PHE  39          1HB       PHE  39   7.743   0.780  -2.508
  313    HD1  PHE  39           HD1      PHE  39   7.605   2.758  -5.633
  314    HD2  PHE  39           HD2      PHE  39   6.511   2.592  -1.485
  315    HE1  PHE  39           HE1      PHE  39   6.040   4.648  -5.971
  316    HE2  PHE  39           HE2      PHE  39   4.947   4.488  -1.821
  317    HZ   PHE  39           HZ       PHE  39   4.710   5.516  -4.065
  318    H    VAL  40           H        VAL  40   8.466   1.537  -0.715
  319    HA   VAL  40           HA       VAL  40   8.053   4.102   0.284
  320    HB   VAL  40           HB       VAL  40   8.968   1.719   1.916
  321   1HG1  VAL  40          1HG1      VAL  40   8.399   4.343   2.700
  322   2HG1  VAL  40          3HG1      VAL  40   6.910   3.463   3.041
  323   3HG1  VAL  40          2HG1      VAL  40   8.434   2.927   3.748
  324   1HG2  VAL  40          3HG2      VAL  40   6.413   2.379   0.515
  325   2HG2  VAL  40          2HG2      VAL  40   7.153   0.807   0.815
  326   3HG2  VAL  40          1HG2      VAL  40   6.297   1.641   2.113
  327    H    GLN  41           H        GLN  41  10.943   2.107   0.847
  328    HA   GLN  41           HA       GLN  41  12.514   3.698   2.432
  329   1HB   GLN  41          2HB       GLN  41  13.007   1.456   1.110
  330   2HB   GLN  41          1HB       GLN  41  13.839   2.557   0.011
  331   1HG   GLN  41          2HG       GLN  41  15.339   3.285   1.684
  332   2HG   GLN  41          1HG       GLN  41  14.320   2.671   2.987
  333   1HE2  GLN  41          2HE2      GLN  41  16.417  -0.121   0.797
  334   2HE2  GLN  41          1HE2      GLN  41  15.826   1.263   0.011
  335    H    GLU  42           H        GLU  42  12.256   4.145  -1.136
  336    HA   GLU  42           HA       GLU  42  13.362   6.886  -0.675
  337   1HB   GLU  42          2HB       GLU  42  14.113   4.932  -2.859
  338   2HB   GLU  42          1HB       GLU  42  14.544   6.643  -2.886
  339   1HG   GLU  42          2HG       GLU  42  15.176   5.039  -0.436
  340   2HG   GLU  42          1HG       GLU  42  16.209   4.866  -1.855
  341    H    VAL  43           H        VAL  43  10.527   6.122  -1.029
  342    HA   VAL  43           HA       VAL  43   9.989   7.964  -3.259
  343    HB   VAL  43           HB       VAL  43   8.832   5.155  -3.316
  344   1HG1  VAL  43          3HG1      VAL  43   8.496   7.536  -5.160
  345   2HG1  VAL  43          2HG1      VAL  43   7.878   5.915  -5.476
  346   3HG1  VAL  43          1HG1      VAL  43   7.257   6.844  -4.112
  347   1HG2  VAL  43          2HG2      VAL  43  10.899   6.565  -5.033
  348   2HG2  VAL  43          1HG2      VAL  43  11.131   5.100  -4.080
  349   3HG2  VAL  43          3HG2      VAL  43  10.097   5.069  -5.508
  350    H    LEU  44           H        LEU  44   8.600   5.936  -0.640
  351    HA   LEU  44           HA       LEU  44   5.996   7.159  -0.703
  352   1HB   LEU  44          2HB       LEU  44   6.418   5.088   0.537
  353   2HB   LEU  44          1HB       LEU  44   7.496   5.933   1.647
  354    HG   LEU  44           HG       LEU  44   5.590   7.385   2.335
  355   1HD1  LEU  44          3HD1      LEU  44   4.276   5.824   0.171
  356   2HD1  LEU  44          2HD1      LEU  44   3.305   6.144   1.607
  357   3HD1  LEU  44          1HD1      LEU  44   3.993   7.485   0.691
  358   1HD2  LEU  44          3HD2      LEU  44   5.169   4.389   2.551
  359   2HD2  LEU  44          2HD2      LEU  44   6.067   5.412   3.672
  360   3HD2  LEU  44          1HD2      LEU  44   4.318   5.583   3.531
  361    HA   PRO  45           HA       PRO  45   7.620  10.191   2.592
  362   1HB   PRO  45          2HB       PRO  45  10.315  10.688   2.740
  363   2HB   PRO  45          1HB       PRO  45   9.467   9.529   3.779
  364   1HG   PRO  45          2HG       PRO  45  11.255   9.013   1.456
  365   2HG   PRO  45          1HG       PRO  45  10.918   7.993   2.866
  366   1HD   PRO  45          2HD       PRO  45   9.828   7.649   0.299
  367   2HD   PRO  45          1HD       PRO  45   9.230   6.897   1.788
  368    H    LYS  46           H        LYS  46   9.210   9.890  -0.524
  369    HA   LYS  46           HA       LYS  46   9.671  12.750  -0.858
  370   1HB   LYS  46          2HB       LYS  46  10.264  10.336  -2.302
  371   2HB   LYS  46          1HB       LYS  46   9.430  11.438  -3.394
  372   1HG   LYS  46          2HG       LYS  46  11.126  12.980  -3.355
  373   2HG   LYS  46          1HG       LYS  46  11.536  12.639  -1.674
  374   1HD   LYS  46          2HD       LYS  46  12.220  10.272  -2.817
  375   2HD   LYS  46          1HD       LYS  46  12.543  11.369  -4.160
  376   1HE   LYS  46          2HE       LYS  46  13.995  12.731  -2.759
  377   2HE   LYS  46          1HE       LYS  46  13.593  11.759  -1.344
  378   1HZ   LYS  46          3HZ       LYS  46  14.459   9.817  -2.728
  379   2HZ   LYS  46          2HZ       LYS  46  15.178  10.998  -3.715
  380   3HZ   LYS  46          1HZ       LYS  46  15.599  10.887  -2.072
  381    H    TYR  47           H        TYR  47   6.918  10.763  -0.897
  382    HA   TYR  47           HA       TYR  47   5.405  12.407  -2.815
  383   1HB   TYR  47          2HB       TYR  47   4.777   9.954  -1.163
  384   2HB   TYR  47          1HB       TYR  47   3.566  10.783  -2.128
  385    HD1  TYR  47           HD2      TYR  47   6.992  10.731  -3.542
  386    HD2  TYR  47           HD1      TYR  47   3.253   8.623  -3.268
  387    HE1  TYR  47           HE2      TYR  47   7.593   9.384  -5.536
  388    HE2  TYR  47           HE1      TYR  47   3.894   7.275  -5.235
  389    HH   TYR  47           HH       TYR  47   5.882   6.573  -6.400
  390    H    PHE  48           H        PHE  48   4.738  11.187   0.478
  391    HA   PHE  48           HA       PHE  48   3.234  13.700   1.030
  392   1HB   PHE  48          2HB       PHE  48   3.309  11.095   2.586
  393   2HB   PHE  48          1HB       PHE  48   2.232  12.455   2.892
  394    HD1  PHE  48           HD2      PHE  48   3.155   9.891   0.345
  395    HD2  PHE  48           HD1      PHE  48   0.225  12.742   1.666
  396    HE1  PHE  48           HE2      PHE  48   1.545   9.010  -1.325
  397    HE2  PHE  48           HE1      PHE  48  -1.383  11.863  -0.004
  398    HZ   PHE  48           HZ       PHE  48  -0.724   9.997  -1.499
  399    H    LYS  49           H        LYS  49   3.374  13.809   3.772
  400    HA   LYS  49           HA       LYS  49   6.294  14.206   4.296
  401   1HB   LYS  49          2HB       LYS  49   3.914  15.868   5.176
  402   2HB   LYS  49          1HB       LYS  49   5.545  16.082   5.812
  403   1HG   LYS  49          2HG       LYS  49   6.236  16.261   3.298
  404   2HG   LYS  49          1HG       LYS  49   4.526  16.597   3.028
  405   1HD   LYS  49          2HD       LYS  49   4.867  18.294   5.029
  406   2HD   LYS  49          1HD       LYS  49   6.556  18.209   4.533
  407   1HE   LYS  49          2HE       LYS  49   6.126  19.630   2.843
  408   2HE   LYS  49          1HE       LYS  49   4.970  18.483   2.167
  409   1HZ   LYS  49          3HZ       LYS  49   4.195  20.177   4.444
  410   2HZ   LYS  49          2HZ       LYS  49   4.181  20.823   2.871
  411   3HZ   LYS  49          1HZ       LYS  49   3.218  19.475   3.247
  412    H    HIS  50           H        HIS  50   7.005  12.891   5.905
  413    HA   HIS  50           HA       HIS  50   7.011  11.525   7.810
  414   1HB   HIS  50          2HB       HIS  50   4.767  13.406   8.603
  415   2HB   HIS  50          1HB       HIS  50   5.587  12.292   9.697
  416    HD1  HIS  50           HD1      HIS  50   8.046  12.834  10.345
  417    HD2  HIS  50           HD2      HIS  50   6.303  15.680   7.846
  418    HE1  HIS  50           HE1      HIS  50   9.593  14.840  10.355
  419    H    SER  51           H        SER  51   5.508  10.585   5.568
  420    HA   SER  51           HA       SER  51   3.091   9.345   6.784
  421   1HB   SER  51          2HB       SER  51   3.060  10.452   4.469
  422   2HB   SER  51          1HB       SER  51   4.022   9.084   3.917
  423    HG   SER  51           HG       SER  51   1.450   9.029   5.123
  424    H    ASN  52           H        ASN  52   2.789   6.968   6.349
  425    HA   ASN  52           HA       ASN  52   5.365   5.483   6.112
  426   1HB   ASN  52          2HB       ASN  52   3.294   5.162   8.302
  427   2HB   ASN  52          1HB       ASN  52   4.584   3.999   7.992
  428   1HD2  ASN  52          2HD2      ASN  52   7.159   6.452   8.941
  429   2HD2  ASN  52          1HD2      ASN  52   6.853   5.382   7.659
  430    H    PHE  53           H        PHE  53   4.969   3.128   5.706
  431    HA   PHE  53           HA       PHE  53   3.206   2.683   3.538
  432   1HB   PHE  53          2HB       PHE  53   3.553   0.204   4.115
  433   2HB   PHE  53          1HB       PHE  53   5.002   1.149   3.777
  434    HD1  PHE  53           HD1      PHE  53   2.861  -0.133   6.564
  435    HD2  PHE  53           HD2      PHE  53   6.713   1.368   5.395
  436    HE1  PHE  53           HE1      PHE  53   3.765  -0.704   8.803
  437    HE2  PHE  53           HE2      PHE  53   7.615   0.796   7.632
  438    HZ   PHE  53           HZ       PHE  53   6.142  -0.239   9.336
  439    H    ALA  54           H        ALA  54   2.650   2.423   6.982
  440    HA   ALA  54           HA       ALA  54   0.251   0.846   6.877
  441   1HB   ALA  54          3HB       ALA  54   1.627   1.338   8.944
  442   2HB   ALA  54          2HB       ALA  54   0.940   2.962   8.934
  443   3HB   ALA  54          1HB       ALA  54  -0.110   1.561   9.152
  444    H    SER  55           H        SER  55   0.827   4.361   6.815
  445    HA   SER  55           HA       SER  55  -1.963   5.086   6.785
  446   1HB   SER  55          2HB       SER  55   0.284   6.506   7.167
  447   2HB   SER  55          1HB       SER  55   0.043   6.849   5.456
  448    HG   SER  55           HG       SER  55  -1.217   8.331   6.352
  449    H    PHE  56           H        PHE  56   0.391   4.314   4.276
  450    HA   PHE  56           HA       PHE  56  -1.143   5.223   2.033
  451   1HB   PHE  56          2HB       PHE  56   1.282   4.637   1.942
  452   2HB   PHE  56          1HB       PHE  56   0.854   2.940   2.147
  453    HD1  PHE  56           HD2      PHE  56  -0.729   5.661   0.113
  454    HD2  PHE  56           HD1      PHE  56   1.248   1.851   0.109
  455    HE1  PHE  56           HE2      PHE  56  -1.114   5.466  -2.331
  456    HE2  PHE  56           HE1      PHE  56   0.861   1.653  -2.334
  457    HZ   PHE  56           HZ       PHE  56  -0.319   3.461  -3.554
  458    H    VAL  57           H        VAL  57  -0.989   2.107   3.714
  459    HA   VAL  57           HA       VAL  57  -2.801   0.744   1.926
  460    HB   VAL  57           HB       VAL  57  -2.158   0.099   4.819
  461   1HG1  VAL  57          1HG1      VAL  57  -3.225  -1.554   2.512
  462   2HG1  VAL  57          3HG1      VAL  57  -2.691  -2.231   4.050
  463   3HG1  VAL  57          2HG1      VAL  57  -4.079  -1.143   3.998
  464   1HG2  VAL  57          1HG2      VAL  57  -0.334   0.301   2.766
  465   2HG2  VAL  57          3HG2      VAL  57  -0.154  -0.763   4.160
  466   3HG2  VAL  57          2HG2      VAL  57  -0.814  -1.391   2.650
  467    H    ARG  58           H        ARG  58  -3.225   2.755   4.780
  468    HA   ARG  58           HA       ARG  58  -5.940   1.994   5.353
  469   1HB   ARG  58          2HB       ARG  58  -4.241   4.391   6.016
  470   2HB   ARG  58          1HB       ARG  58  -5.959   4.372   6.425
  471   1HG   ARG  58          2HG       ARG  58  -5.707   2.430   7.801
  472   2HG   ARG  58          1HG       ARG  58  -4.077   2.131   7.195
  473   1HD   ARG  58          2HD       ARG  58  -3.600   3.164   9.222
  474   2HD   ARG  58          1HD       ARG  58  -3.617   4.556   8.138
  475    HE   ARG  58           HE       ARG  58  -5.552   5.317   9.246
  476   1HH1  ARG  58          1HH2      ARG  58  -7.690   3.688   9.137
  477   2HH1  ARG  58          2HH2      ARG  58  -7.765   2.790  10.615
  478   1HH2  ARG  58          2HH1      ARG  58  -4.470   3.423  11.476
  479   2HH2  ARG  58          1HH1      ARG  58  -5.943   2.640  11.939
  480    H    GLN  59           H        GLN  59  -4.594   4.753   3.512
  481    HA   GLN  59           HA       GLN  59  -7.103   5.854   2.720
  482   1HB   GLN  59          2HB       GLN  59  -4.314   5.994   1.595
  483   2HB   GLN  59          1HB       GLN  59  -5.661   6.737   0.732
  484   1HG   GLN  59          2HG       GLN  59  -4.796   8.460   2.126
  485   2HG   GLN  59          1HG       GLN  59  -6.246   7.885   2.951
  486   1HE2  GLN  59          2HE2      GLN  59  -2.637   7.499   4.743
  487   2HE2  GLN  59          1HE2      GLN  59  -2.808   8.266   3.239
  488    H    LEU  60           H        LEU  60  -4.999   3.466   1.113
  489    HA   LEU  60           HA       LEU  60  -6.495   3.171  -1.279
  490   1HB   LEU  60          2HB       LEU  60  -4.831   1.165   0.267
  491   2HB   LEU  60          1HB       LEU  60  -5.470   0.866  -1.349
  492    HG   LEU  60           HG       LEU  60  -3.751   3.265  -0.673
  493   1HD1  LEU  60          3HD1      LEU  60  -3.027   0.476  -1.540
  494   2HD1  LEU  60          2HD1      LEU  60  -2.039   1.843  -2.054
  495   3HD1  LEU  60          1HD1      LEU  60  -2.243   1.499  -0.337
  496   1HD2  LEU  60          2HD2      LEU  60  -4.775   1.983  -3.213
  497   2HD2  LEU  60          1HD2      LEU  60  -5.002   3.643  -2.664
  498   3HD2  LEU  60          3HD2      LEU  60  -3.416   3.107  -3.217
  499    H    ASN  61           H        ASN  61  -6.884   1.573   1.874
  500    HA   ASN  61           HA       ASN  61  -9.048  -0.141   0.964
  501   1HB   ASN  61          2HB       ASN  61  -7.426  -0.390   3.024
  502   2HB   ASN  61          1HB       ASN  61  -8.648   0.582   3.849
  503   1HD2  ASN  61          2HD2      ASN  61  -9.380  -3.317   3.126
  504   2HD2  ASN  61          1HD2      ASN  61  -7.874  -2.606   2.801
  505    H    MET  62           H        MET  62  -8.843   3.136   2.124
  506    HA   MET  62           HA       MET  62 -11.594   3.335   3.023
  507   1HB   MET  62          2HB       MET  62  -9.358   5.255   2.497
  508   2HB   MET  62          1HB       MET  62 -10.999   5.888   2.621
  509   1HG   MET  62          2HG       MET  62 -11.236   5.202   4.845
  510   2HG   MET  62          1HG       MET  62  -9.968   3.985   4.709
  511   1HE   MET  62          1HE       MET  62 -10.290   5.461   6.959
  512   2HE   MET  62          3HE       MET  62  -8.554   5.181   7.156
  513   3HE   MET  62          2HE       MET  62  -9.214   6.803   7.345
  514    H    TYR  63           H        TYR  63 -10.126   3.313  -0.098
  515    HA   TYR  63           HA       TYR  63 -12.482   4.704  -1.276
  516   1HB   TYR  63          2HB       TYR  63  -9.763   4.020  -2.420
  517   2HB   TYR  63          1HB       TYR  63 -11.071   4.743  -3.358
  518    HD1  TYR  63           HD2      TYR  63 -12.209   6.861  -2.228
  519    HD2  TYR  63           HD1      TYR  63  -8.248   5.447  -1.351
  520    HE1  TYR  63           HE2      TYR  63 -11.604   9.100  -1.354
  521    HE2  TYR  63           HE1      TYR  63  -7.643   7.690  -0.477
  522    HH   TYR  63           HH       TYR  63  -9.256  10.404  -1.111
  523    H    GLY  64           H        GLY  64 -10.535   1.725  -1.632
  524   1HA   GLY  64          2HA       GLY  64 -12.320  -0.242  -1.800
  525   2HA   GLY  64          1HA       GLY  64 -12.685   0.567  -3.324
  526    H    TRP  65           H        TRP  65  -9.603  -0.170  -1.664
  527    HA   TRP  65           HA       TRP  65  -8.710  -1.492  -4.196
  528   1HB   TRP  65          2HB       TRP  65  -7.153   0.073  -2.120
  529   2HB   TRP  65          1HB       TRP  65  -6.384  -0.890  -3.383
  530    HD1  TRP  65           HD1      TRP  65  -7.703   2.481  -2.742
  531    HE1  TRP  65           HE1      TRP  65  -7.924   3.814  -4.937
  532    HE3  TRP  65           HE3      TRP  65  -7.139  -1.298  -6.131
  533    HZ2  TRP  65           HZ2      TRP  65  -7.870   3.340  -7.756
  534    HZ3  TRP  65           HZ3      TRP  65  -7.227  -0.830  -8.562
  535    HH2  TRP  65           HH2      TRP  65  -7.592   1.483  -9.380
  536    H    HIS  66           H        HIS  66  -9.289  -3.613  -3.642
  537    HA   HIS  66           HA       HIS  66  -8.424  -4.711  -1.042
  538   1HB   HIS  66          2HB       HIS  66 -10.021  -5.822  -3.356
  539   2HB   HIS  66          1HB       HIS  66  -9.500  -6.830  -2.005
  540    HD1  HIS  66           HD1      HIS  66 -11.303  -3.490  -2.481
  541    HD2  HIS  66           HD2      HIS  66 -11.300  -6.777   0.085
  542    HE1  HIS  66           HE1      HIS  66 -13.155  -3.089  -0.798
  543    H    LYS  67           H        LYS  67  -7.422  -7.051  -1.278
  544    HA   LYS  67           HA       LYS  67  -5.308  -6.985  -3.388
  545   1HB   LYS  67          2HB       LYS  67  -3.763  -7.961  -1.609
  546   2HB   LYS  67          1HB       LYS  67  -4.192  -6.265  -1.393
  547   1HG   LYS  67          2HG       LYS  67  -6.054  -7.029   0.146
  548   2HG   LYS  67          1HG       LYS  67  -5.372  -8.653   0.057
  549   1HD   LYS  67          2HD       LYS  67  -3.562  -8.109   1.346
  550   2HD   LYS  67          1HD       LYS  67  -3.464  -6.470   0.701
  551   1HE   LYS  67          2HE       LYS  67  -5.656  -6.035   1.999
  552   2HE   LYS  67          1HE       LYS  67  -5.285  -7.527   2.863
  553   1HZ   LYS  67          1HZ       LYS  67  -3.217  -5.456   2.582
  554   2HZ   LYS  67          3HZ       LYS  67  -4.423  -5.271   3.759
  555   3HZ   LYS  67          2HZ       LYS  67  -3.407  -6.632   3.794
  556    H    VAL  68           H        VAL  68  -6.846  -8.534  -4.434
  557    HA   VAL  68           HA       VAL  68  -6.528 -11.283  -3.287
  558    HB   VAL  68           HB       VAL  68  -8.690 -11.837  -4.431
  559   1HG1  VAL  68          2HG1      VAL  68  -8.331 -10.846  -1.982
  560   2HG1  VAL  68          1HG1      VAL  68  -9.269  -9.509  -2.644
  561   3HG1  VAL  68          3HG1      VAL  68  -9.949 -11.136  -2.619
  562   1HG2  VAL  68          3HG2      VAL  68  -8.783  -8.829  -4.835
  563   2HG2  VAL  68          2HG2      VAL  68  -8.643 -10.036  -6.113
  564   3HG2  VAL  68          1HG2      VAL  68 -10.117  -9.939  -5.149
  565    H    GLN  69           H        GLN  69  -6.391 -13.005  -4.959
  566    HA   GLN  69           HA       GLN  69  -5.866 -12.163  -7.726
  567   1HB   GLN  69          2HB       GLN  69  -3.730 -11.874  -6.202
  568   2HB   GLN  69          1HB       GLN  69  -3.619 -13.625  -6.387
  569   1HG   GLN  69          2HG       GLN  69  -4.041 -13.026  -8.946
  570   2HG   GLN  69          1HG       GLN  69  -3.351 -11.479  -8.454
  571   1HE2  GLN  69          2HE2      GLN  69  -0.101 -12.787  -8.697
  572   2HE2  GLN  69          1HE2      GLN  69  -1.152 -11.474  -8.927
  573    H    ASP  70           H        ASP  70  -7.653 -13.676  -8.031
  574    HA   ASP  70           HA       ASP  70  -8.555 -15.781  -8.534
  575   1HB   ASP  70          2HB       ASP  70  -5.639 -16.570  -8.812
  576   2HB   ASP  70          1HB       ASP  70  -7.025 -17.355  -9.570
  577    H    VAL  71           H        VAL  71  -7.582 -18.381  -7.992
  578    HA   VAL  71           HA       VAL  71  -8.442 -18.772  -5.335
  579    HB   VAL  71           HB       VAL  71  -8.525 -20.587  -6.923
  580   1HG1  VAL  71          2HG1      VAL  71  -6.180 -19.744  -7.913
  581   2HG1  VAL  71          1HG1      VAL  71  -5.587 -21.055  -6.897
  582   3HG1  VAL  71          3HG1      VAL  71  -6.770 -21.387  -8.159
  583   1HG2  VAL  71          1HG2      VAL  71  -6.543 -21.174  -4.703
  584   2HG2  VAL  71          3HG2      VAL  71  -8.300 -21.283  -4.595
  585   3HG2  VAL  71          2HG2      VAL  71  -7.408 -22.403  -5.625
  586    H    LYS  72           H        LYS  72  -5.019 -18.948  -6.505
  587    HA   LYS  72           HA       LYS  72  -3.915 -17.484  -4.360
  588   1HB   LYS  72          2HB       LYS  72  -4.867 -19.875  -3.362
  589   2HB   LYS  72          1HB       LYS  72  -3.190 -20.278  -3.719
  590   1HG   LYS  72          2HG       LYS  72  -3.193 -19.434  -1.485
  591   2HG   LYS  72          1HG       LYS  72  -2.549 -18.135  -2.488
  592   1HD   LYS  72          2HD       LYS  72  -4.742 -17.049  -2.542
  593   2HD   LYS  72          1HD       LYS  72  -5.442 -18.373  -1.609
  594   1HE   LYS  72          2HE       LYS  72  -4.996 -16.812   0.069
  595   2HE   LYS  72          1HE       LYS  72  -3.533 -17.795   0.106
  596   1HZ   LYS  72          3HZ       LYS  72  -2.604 -16.142  -1.540
  597   2HZ   LYS  72          2HZ       LYS  72  -3.924 -15.146  -1.153
  598   3HZ   LYS  72          1HZ       LYS  72  -2.806 -15.585   0.049
  599    H    SER  73           H        SER  73  -1.626 -17.366  -4.543
  600    HA   SER  73           HA       SER  73  -0.560 -18.502  -7.058
  601   1HB   SER  73          2HB       SER  73   0.525 -16.465  -5.094
  602   2HB   SER  73          1HB       SER  73   1.435 -17.041  -6.488
  603    HG   SER  73           HG       SER  73   0.182 -15.086  -6.830
  604    H    GLY  74           H        GLY  74   0.560 -18.238  -3.664
  605   1HA   GLY  74          2HA       GLY  74   1.071 -20.858  -3.043
  606   2HA   GLY  74          1HA       GLY  74   2.461 -20.431  -4.042
  607    H    SER  75           H        SER  75   3.835 -18.668  -3.310
  608    HA   SER  75           HA       SER  75   5.165 -17.698  -1.646
  609   1HB   SER  75          2HB       SER  75   4.010 -16.174  -0.192
  610   2HB   SER  75          1HB       SER  75   3.134 -16.195  -1.720
  611    HG   SER  75           HG       SER  75   1.471 -16.897  -0.663
  612    H    MET  76           H        MET  76   5.821 -19.970  -1.036
  613    HA   MET  76           HA       MET  76   5.264 -20.392   1.847
  614   1HB   MET  76          2HB       MET  76   3.743 -21.846   0.320
  615   2HB   MET  76          1HB       MET  76   5.215 -22.753  -0.028
  616   1HG   MET  76          2HG       MET  76   4.688 -22.182   2.841
  617   2HG   MET  76          1HG       MET  76   3.586 -23.318   2.067
  618   1HE   MET  76          1HE       MET  76   4.061 -25.208   0.892
  619   2HE   MET  76          3HE       MET  76   5.385 -26.336   1.211
  620   3HE   MET  76          2HE       MET  76   4.239 -25.933   2.487
  621    H    LEU  77           H        LEU  77   6.945 -22.095  -0.824
  622    HA   LEU  77           HA       LEU  77   9.252 -22.658   0.859
  623   1HB   LEU  77          2HB       LEU  77   8.466 -24.085  -1.093
  624   2HB   LEU  77          1HB       LEU  77   9.090 -22.830  -2.162
  625    HG   LEU  77           HG       LEU  77  11.236 -23.180  -0.526
  626   1HD1  LEU  77          2HD1      LEU  77   9.850 -25.867  -0.776
  627   2HD1  LEU  77          1HD1      LEU  77  11.527 -25.651  -0.274
  628   3HD1  LEU  77          3HD1      LEU  77  10.218 -25.011   0.721
  629   1HD2  LEU  77          3HD2      LEU  77  10.435 -24.564  -3.089
  630   2HD2  LEU  77          2HD2      LEU  77  11.522 -23.192  -2.879
  631   3HD2  LEU  77          1HD2      LEU  77  12.031 -24.805  -2.377
  632    H    SER  78           H        SER  78   8.389 -20.216  -1.529
  633    HA   SER  78           HA       SER  78  11.100 -19.114  -1.661
  634   1HB   SER  78          2HB       SER  78   8.450 -18.056  -2.678
  635   2HB   SER  78          1HB       SER  78  10.016 -17.322  -3.011
  636    HG   SER  78           HG       SER  78  10.633 -19.246  -4.028
  637    H    ASN  79           H        ASN  79   8.840 -19.015   0.768
  638    HA   ASN  79           HA       ASN  79   8.534 -17.602   2.607
  639   1HB   ASN  79          2HB       ASN  79  11.270 -17.003   1.612
  640   2HB   ASN  79          1HB       ASN  79  10.558 -15.787   2.670
  641   1HD2  ASN  79          2HD2      ASN  79  10.417 -18.011   5.511
  642   2HD2  ASN  79          1HD2      ASN  79   9.605 -16.702   4.797
  643    H    ASN  80           H        ASN  80   8.822 -14.931   3.021
  644    HA   ASN  80           HA       ASN  80   6.739 -13.753   1.488
  645   1HB   ASN  80          2HB       ASN  80   7.546 -11.591   2.502
  646   2HB   ASN  80          1HB       ASN  80   7.286 -12.876   3.682
  647   1HD2  ASN  80          2HD2      ASN  80  10.723 -13.138   4.555
  648   2HD2  ASN  80          1HD2      ASN  80   9.183 -13.841   4.697
  649    H    ASP  81           H        ASP  81   6.838 -13.232  -0.638
  650    HA   ASP  81           HA       ASP  81   9.429 -12.701  -1.930
  651   1HB   ASP  81          2HB       ASP  81   6.617 -12.724  -3.069
  652   2HB   ASP  81          1HB       ASP  81   8.102 -12.612  -4.013
  653    H    SER  82           H        SER  82   7.029 -10.818  -0.383
  654    HA   SER  82           HA       SER  82   6.800  -8.502  -0.161
  655   1HB   SER  82          2HB       SER  82   9.396  -8.702  -0.278
  656   2HB   SER  82          1HB       SER  82   9.212  -8.122  -1.930
  657    HG   SER  82           HG       SER  82   8.515  -6.859   0.501
  658    H    ARG  83           H        ARG  83   5.513  -9.940  -2.343
  659    HA   ARG  83           HA       ARG  83   5.419  -7.776  -4.410
  660   1HB   ARG  83          2HB       ARG  83   4.466  -9.534  -5.922
  661   2HB   ARG  83          1HB       ARG  83   6.115  -9.881  -5.404
  662   1HG   ARG  83          2HG       ARG  83   5.468 -11.811  -4.438
  663   2HG   ARG  83          1HG       ARG  83   4.244 -10.975  -3.485
  664   1HD   ARG  83          2HD       ARG  83   3.112 -12.605  -4.864
  665   2HD   ARG  83          1HD       ARG  83   2.751 -11.008  -5.518
  666    HE   ARG  83           HE       ARG  83   3.973 -11.582  -7.460
  667   1HH1  ARG  83          1HH2      ARG  83   6.550 -12.399  -6.440
  668   2HH1  ARG  83          2HH2      ARG  83   6.587 -14.110  -6.707
  669   1HH2  ARG  83          2HH1      ARG  83   3.156 -14.385  -7.127
  670   2HH2  ARG  83          1HH1      ARG  83   4.665 -15.236  -7.096
  671    H    TRP  84           H        TRP  84   3.848  -6.509  -3.362
  672    HA   TRP  84           HA       TRP  84   1.356  -7.707  -2.406
  673   1HB   TRP  84          2HB       TRP  84   2.245  -4.830  -2.739
  674   2HB   TRP  84          1HB       TRP  84   0.686  -5.303  -2.063
  675    HD1  TRP  84           HD1      TRP  84   4.404  -6.195  -1.453
  676    HE1  TRP  84           HE1      TRP  84   4.765  -6.416   1.090
  677    HE3  TRP  84           HE3      TRP  84  -0.353  -5.338   0.186
  678    HZ2  TRP  84           HZ2      TRP  84   3.233  -6.257   3.502
  679    HZ3  TRP  84           HZ3      TRP  84  -0.876  -5.382   2.608
  680    HH2  TRP  84           HH2      TRP  84   0.909  -5.839   4.267
  681    H    GLU  85           H        GLU  85  -0.676  -7.515  -3.391
  682    HA   GLU  85           HA       GLU  85  -0.632  -6.681  -6.265
  683   1HB   GLU  85          2HB       GLU  85  -2.532  -8.609  -4.889
  684   2HB   GLU  85          1HB       GLU  85  -2.467  -8.258  -6.616
  685   1HG   GLU  85          2HG       GLU  85  -1.112 -10.090  -6.691
  686   2HG   GLU  85          1HG       GLU  85   0.128  -8.960  -6.148
  687    H    PHE  86           H        PHE  86  -2.717  -5.686  -7.024
  688    HA   PHE  86           HA       PHE  86  -4.481  -4.610  -4.927
  689   1HB   PHE  86          2HB       PHE  86  -2.562  -2.909  -6.512
  690   2HB   PHE  86          1HB       PHE  86  -4.066  -2.237  -5.878
  691    HD1  PHE  86           HD1      PHE  86  -4.503  -2.240  -3.421
  692    HD2  PHE  86           HD2      PHE  86  -0.730  -3.466  -5.060
  693    HE1  PHE  86           HE1      PHE  86  -3.458  -2.014  -1.181
  694    HE2  PHE  86           HE2      PHE  86   0.316  -3.241  -2.823
  695    HZ   PHE  86           HZ       PHE  86  -1.047  -2.516  -0.882
  696    H    GLU  87           H        GLU  87  -6.506  -4.327  -5.705
  697    HA   GLU  87           HA       GLU  87  -7.024  -3.733  -8.526
  698   1HB   GLU  87          2HB       GLU  87  -8.610  -5.816  -8.622
  699   2HB   GLU  87          1HB       GLU  87  -6.895  -6.039  -8.951
  700   1HG   GLU  87          2HG       GLU  87  -7.739  -6.287  -6.105
  701   2HG   GLU  87          1HG       GLU  87  -8.251  -7.577  -7.196
  702    H    ASN  88           H        ASN  88  -9.388  -3.389  -8.877
  703    HA   ASN  88           HA       ASN  88 -10.594  -2.240  -6.438
  704   1HB   ASN  88          2HB       ASN  88 -11.070  -1.995  -9.389
  705   2HB   ASN  88          1HB       ASN  88 -12.386  -1.595  -8.285
  706   1HD2  ASN  88          2HD2      ASN  88 -10.105   1.402  -8.892
  707   2HD2  ASN  88          1HD2      ASN  88 -10.825   0.306  -9.971
  708    H    GLU  89           H        GLU  89 -10.588  -4.912  -6.103
  709    HA   GLU  89           HA       GLU  89 -11.855  -6.888  -5.937
  710   1HB   GLU  89          2HB       GLU  89 -14.069  -6.453  -4.857
  711   2HB   GLU  89          1HB       GLU  89 -12.732  -5.585  -4.105
  712   1HG   GLU  89          2HG       GLU  89 -13.350  -3.531  -5.191
  713   2HG   GLU  89          1HG       GLU  89 -14.526  -4.361  -6.212
  714    H    ARG  90           H        ARG  90 -11.859  -5.829  -8.669
  715    HA   ARG  90           HA       ARG  90 -12.951  -6.240 -10.703
  716   1HB   ARG  90          2HB       ARG  90 -14.569  -8.171  -9.012
  717   2HB   ARG  90          1HB       ARG  90 -14.487  -8.160 -10.771
  718   1HG   ARG  90          2HG       ARG  90 -11.871  -8.295 -10.294
  719   2HG   ARG  90          1HG       ARG  90 -12.429  -9.019  -8.785
  720   1HD   ARG  90          2HD       ARG  90 -13.967 -10.453 -10.345
  721   2HD   ARG  90          1HD       ARG  90 -12.820  -9.991 -11.603
  722    HE   ARG  90           HE       ARG  90 -11.103 -10.917  -9.767
  723   1HH1  ARG  90          2HH1      ARG  90 -12.896 -12.361  -8.079
  724   2HH1  ARG  90          1HH1      ARG  90 -13.112 -13.889  -8.865
  725   1HH2  ARG  90          1HH2      ARG  90 -11.943 -12.773 -11.934
  726   2HH2  ARG  90          2HH2      ARG  90 -12.573 -14.123 -11.050
  727    H    HIS  91           H        HIS  91 -15.481  -6.538 -11.507
  728    HA   HIS  91           HA       HIS  91 -16.759  -4.039 -10.655
  729   1HB   HIS  91          2HB       HIS  91 -16.837  -5.770 -12.970
  730   2HB   HIS  91          1HB       HIS  91 -18.480  -5.501 -12.393
  731    HD1  HIS  91           HD1      HIS  91 -19.513  -3.509 -13.445
  732    HD2  HIS  91           HD2      HIS  91 -15.402  -3.006 -12.971
  733    HE1  HIS  91           HE1      HIS  91 -18.964  -1.212 -14.356
  734    H    ALA  92           HN       ALA  92 -17.293  -4.629  -8.449
  735    HA   ALA  92           HA       ALA  92 -19.370  -6.745  -8.150
  736   1HB   ALA  92          2HB       ALA  92 -17.562  -5.316  -6.200
  737   2HB   ALA  92          1HB       ALA  92 -18.973  -6.219  -5.651
  738   3HB   ALA  92          3HB       ALA  92 -17.681  -7.046  -6.520
   
  No H/Q in entry =         738
  Start of MODEL          25
 Raw file had  756 H/Q atoms
  Start of MODEL   25
    1   1H    ALA   1          2H        ALA   1 -14.535  11.934 -10.556
    2   2H    ALA   1          1H        ALA   1 -13.511  10.683 -11.080
    3   3H    ALA   1          3H        ALA   1 -14.019  10.739  -9.463
    4    HA   ALA   1           HA       ALA   1 -11.851  11.544  -9.381
    5   1HB   ALA   1          3HB       ALA   1 -12.102  11.949 -12.031
    6   2HB   ALA   1          2HB       ALA   1 -12.286  13.614 -11.479
    7   3HB   ALA   1          1HB       ALA   1 -10.827  12.709 -11.078
    8    H    ARG   2           H        ARG   2 -11.382  13.196  -7.961
    9    HA   ARG   2           HA       ARG   2 -12.235  15.766  -7.746
   10   1HB   ARG   2          2HB       ARG   2 -14.138  15.724  -6.082
   11   2HB   ARG   2          1HB       ARG   2 -14.576  15.275  -7.722
   12   1HG   ARG   2          2HG       ARG   2 -14.347  12.864  -7.055
   13   2HG   ARG   2          1HG       ARG   2 -14.073  13.402  -5.398
   14   1HD   ARG   2          2HD       ARG   2 -16.488  14.415  -6.852
   15   2HD   ARG   2          1HD       ARG   2 -16.512  12.775  -6.201
   16    HE   ARG   2           HE       ARG   2 -16.104  13.759  -3.958
   17   1HH1  ARG   2          2HH1      ARG   2 -18.216  15.246  -6.021
   18   2HH1  ARG   2          1HH1      ARG   2 -18.215  16.788  -5.234
   19   1HH2  ARG   2          1HH2      ARG   2 -15.549  16.023  -3.151
   20   2HH2  ARG   2          2HH2      ARG   2 -16.706  17.228  -3.612
   21    HA   PRO   3           HA       PRO   3 -11.108  14.425  -3.397
   22   1HB   PRO   3          2HB       PRO   3  -9.997  11.964  -2.946
   23   2HB   PRO   3          1HB       PRO   3 -11.715  12.323  -2.699
   24   1HG   PRO   3          2HG       PRO   3 -10.428  10.743  -4.835
   25   2HG   PRO   3          1HG       PRO   3 -12.102  10.701  -4.263
   26   1HD   PRO   3          2HD       PRO   3 -11.115  11.973  -6.607
   27   2HD   PRO   3          1HD       PRO   3 -12.757  12.049  -5.966
   28    H    ALA   4           H        ALA   4  -8.944  14.617  -2.499
   29    HA   ALA   4           HA       ALA   4  -6.927  15.164  -4.532
   30   1HB   ALA   4          2HB       ALA   4  -7.275  16.553  -2.460
   31   2HB   ALA   4          1HB       ALA   4  -6.612  15.216  -1.521
   32   3HB   ALA   4          3HB       ALA   4  -5.606  16.041  -2.712
   33    H    PHE   5           H        PHE   5  -7.668  12.451  -2.476
   34    HA   PHE   5           HA       PHE   5  -4.964  11.369  -2.465
   35   1HB   PHE   5          2HB       PHE   5  -6.714  10.771  -0.750
   36   2HB   PHE   5          1HB       PHE   5  -7.551   9.856  -2.007
   37    HD1  PHE   5           HD2      PHE   5  -4.333  10.153  -0.155
   38    HD2  PHE   5           HD1      PHE   5  -6.789   7.699  -2.687
   39    HE1  PHE   5           HE2      PHE   5  -2.789   8.245   0.198
   40    HE2  PHE   5           HE1      PHE   5  -5.242   5.792  -2.336
   41    HZ   PHE   5           HZ       PHE   5  -3.241   6.065  -0.893
   42    H    VAL   6           H        VAL   6  -7.943  10.647  -4.319
   43    HA   VAL   6           HA       VAL   6  -6.679   8.625  -5.944
   44    HB   VAL   6           HB       VAL   6  -9.120  10.312  -6.587
   45   1HG1  VAL   6          2HG1      VAL   6  -7.798   8.762  -8.331
   46   2HG1  VAL   6          1HG1      VAL   6  -8.721   7.500  -7.517
   47   3HG1  VAL   6          3HG1      VAL   6  -9.559   8.833  -8.310
   48   1HG2  VAL   6          1HG2      VAL   6  -9.069   8.970  -4.377
   49   2HG2  VAL   6          3HG2      VAL   6 -10.419   8.666  -5.470
   50   3HG2  VAL   6          2HG2      VAL   6  -9.070   7.533  -5.400
   51    H    ASN   7           H        ASN   7  -7.229  12.126  -6.359
   52    HA   ASN   7           HA       ASN   7  -6.143  12.271  -9.020
   53   1HB   ASN   7          2HB       ASN   7  -6.576  14.276  -6.820
   54   2HB   ASN   7          1HB       ASN   7  -5.681  14.732  -8.269
   55   1HD2  ASN   7          2HD2      ASN   7  -9.448  13.414  -9.206
   56   2HD2  ASN   7          1HD2      ASN   7  -8.409  12.409  -8.324
   57    H    LYS   8           H        LYS   8  -4.731  12.245  -5.823
   58    HA   LYS   8           HA       LYS   8  -2.052  12.993  -6.702
   59   1HB   LYS   8          2HB       LYS   8  -2.663  13.538  -4.447
   60   2HB   LYS   8          1HB       LYS   8  -3.238  11.907  -4.133
   61   1HG   LYS   8          2HG       LYS   8  -0.449  11.852  -4.939
   62   2HG   LYS   8          1HG       LYS   8  -0.671  12.948  -3.579
   63   1HD   LYS   8          2HD       LYS   8  -1.242  11.265  -2.140
   64   2HD   LYS   8          1HD       LYS   8  -2.125  10.371  -3.377
   65   1HE   LYS   8          2HE       LYS   8  -0.094   9.155  -2.654
   66   2HE   LYS   8          1HE       LYS   8  -0.005   9.604  -4.358
   67   1HZ   LYS   8          2HZ       LYS   8   1.099  11.363  -2.264
   68   2HZ   LYS   8          1HZ       LYS   8   2.007  10.065  -2.876
   69   3HZ   LYS   8          3HZ       LYS   8   1.487  11.299  -3.918
   70    H    LEU   9           H        LEU   9  -3.920  10.054  -6.507
   71    HA   LEU   9           HA       LEU   9  -1.618   8.262  -6.487
   72   1HB   LEU   9          2HB       LEU   9  -3.956   7.735  -5.595
   73   2HB   LEU   9          1HB       LEU   9  -4.450   7.563  -7.280
   74    HG   LEU   9           HG       LEU   9  -2.413   5.963  -7.484
   75   1HD1  LEU   9          2HD1      LEU   9  -2.581   6.483  -4.559
   76   2HD1  LEU   9          1HD1      LEU   9  -2.338   4.804  -5.042
   77   3HD1  LEU   9          3HD1      LEU   9  -1.186   6.043  -5.545
   78   1HD2  LEU   9          3HD2      LEU   9  -5.073   5.549  -7.115
   79   2HD2  LEU   9          2HD2      LEU   9  -3.911   4.235  -7.305
   80   3HD2  LEU   9          1HD2      LEU   9  -4.435   4.723  -5.693
   81    H    TRP  10           H        TRP  10  -3.592   9.838  -8.919
   82    HA   TRP  10           HA       TRP  10  -2.853   8.110 -11.113
   83   1HB   TRP  10          2HB       TRP  10  -3.830  10.979 -11.089
   84   2HB   TRP  10          1HB       TRP  10  -3.668   9.992 -12.541
   85    HD1  TRP  10           HD1      TRP  10  -6.302  11.110 -10.551
   86    HE1  TRP  10           HE1      TRP  10  -8.239   9.429 -10.326
   87    HE3  TRP  10           HE3      TRP  10  -3.957   6.846 -12.116
   88    HZ2  TRP  10           HZ2      TRP  10  -8.732   6.645 -10.756
   89    HZ3  TRP  10           HZ3      TRP  10  -5.185   4.699 -12.199
   90    HH2  TRP  10           HH2      TRP  10  -7.568   4.593 -11.523
   91    H    SER  11           H        SER  11  -1.160  10.605  -9.418
   92    HA   SER  11           HA       SER  11   0.731  10.987 -11.679
   93   1HB   SER  11          2HB       SER  11   1.538  12.904 -10.508
   94   2HB   SER  11          1HB       SER  11  -0.213  12.949 -10.336
   95    HG   SER  11           HG       SER  11   0.073  11.927  -8.288
   96    H    MET  12           H        MET  12   0.447   9.403  -8.589
   97    HA   MET  12           HA       MET  12   3.332   9.060  -8.230
   98   1HB   MET  12          2HB       MET  12   1.087   8.881  -6.575
   99   2HB   MET  12          1HB       MET  12   1.628   7.212  -6.731
  100   1HG   MET  12          2HG       MET  12   3.601   9.410  -6.148
  101   2HG   MET  12          1HG       MET  12   2.666   8.675  -4.847
  102   1HE   MET  12          3HE       MET  12   2.248   6.306  -4.693
  103   2HE   MET  12          2HE       MET  12   3.502   5.072  -4.783
  104   3HE   MET  12          1HE       MET  12   3.644   6.378  -3.608
  105    H    VAL  13           H        VAL  13   0.625   7.140  -9.458
  106    HA   VAL  13           HA       VAL  13   2.382   4.806  -9.891
  107    HB   VAL  13           HB       VAL  13  -0.468   5.074 -10.862
  108   1HG1  VAL  13          2HG1      VAL  13   1.344   3.101 -11.242
  109   2HG1  VAL  13          1HG1      VAL  13   0.648   2.575  -9.711
  110   3HG1  VAL  13          3HG1      VAL  13  -0.389   2.804 -11.119
  111   1HG2  VAL  13          1HG2      VAL  13  -0.381   5.709  -8.448
  112   2HG2  VAL  13          3HG2      VAL  13  -1.228   4.184  -8.706
  113   3HG2  VAL  13          2HG2      VAL  13   0.428   4.182  -8.098
  114    H    ASN  14           H        ASN  14   2.127   7.646 -11.486
  115    HA   ASN  14           HA       ASN  14   1.652   6.829 -14.189
  116   1HB   ASN  14          2HB       ASN  14   2.462   8.993 -14.836
  117   2HB   ASN  14          1HB       ASN  14   1.515   9.181 -13.370
  118   1HD2  ASN  14          2HD2      ASN  14   5.057   9.352 -11.725
  119   2HD2  ASN  14          1HD2      ASN  14   4.058   7.998 -11.839
  120    H    ASP  15           H        ASP  15   4.276   6.082 -12.174
  121    HA   ASP  15           HA       ASP  15   6.342   5.084 -12.610
  122   1HB   ASP  15          2HB       ASP  15   4.679   4.460 -15.018
  123   2HB   ASP  15          1HB       ASP  15   6.397   4.063 -15.053
  124    H    LYS  16           H        LYS  16   6.167   7.956 -13.130
  125    HA   LYS  16           HA       LYS  16   7.842   8.333 -15.542
  126   1HB   LYS  16          2HB       LYS  16   5.940   9.939 -14.203
  127   2HB   LYS  16          1HB       LYS  16   7.492  10.733 -13.944
  128   1HG   LYS  16          2HG       LYS  16   6.629  11.609 -15.999
  129   2HG   LYS  16          1HG       LYS  16   7.898  10.470 -16.449
  130   1HD   LYS  16          2HD       LYS  16   6.161   8.712 -16.774
  131   2HD   LYS  16          1HD       LYS  16   4.918   9.912 -16.423
  132   1HE   LYS  16          2HE       LYS  16   6.903  10.662 -18.500
  133   2HE   LYS  16          1HE       LYS  16   5.772   9.380 -18.932
  134   1HZ   LYS  16          2HZ       LYS  16   4.881  11.927 -17.719
  135   2HZ   LYS  16          1HZ       LYS  16   5.040  11.734 -19.399
  136   3HZ   LYS  16          3HZ       LYS  16   3.946  10.767 -18.535
  137    H    SER  17           H        SER  17   8.040   9.555 -12.187
  138    HA   SER  17           HA       SER  17  10.979   9.590 -12.364
  139   1HB   SER  17          2HB       SER  17  10.666  10.411  -9.916
  140   2HB   SER  17          1HB       SER  17  10.135  11.469 -11.219
  141    HG   SER  17           HG       SER  17   8.527  11.260  -9.630
  142    H    ASN  18           H        ASN  18   8.423   7.705 -10.842
  143    HA   ASN  18           HA       ASN  18  10.467   6.039  -9.450
  144   1HB   ASN  18          2HB       ASN  18   7.530   5.507  -9.153
  145   2HB   ASN  18          1HB       ASN  18   8.820   5.321  -7.972
  146   1HD2  ASN  18          2HD2      ASN  18   6.600   8.599  -7.780
  147   2HD2  ASN  18          1HD2      ASN  18   6.140   7.157  -8.550
  148    H    GLU  19           H        GLU  19  10.244   5.890 -12.315
  149    HA   GLU  19           HA       GLU  19   8.622   3.596 -13.072
  150   1HB   GLU  19          2HB       GLU  19   9.542   5.494 -14.586
  151   2HB   GLU  19          1HB       GLU  19  11.035   4.564 -14.600
  152   1HG   GLU  19          2HG       GLU  19   9.851   2.606 -15.466
  153   2HG   GLU  19          1HG       GLU  19   8.315   3.469 -15.378
  154    H    LYS  20           H        LYS  20   9.356   2.118 -11.380
  155    HA   LYS  20           HA       LYS  20  11.071   0.082 -12.168
  156   1HB   LYS  20          2HB       LYS  20  12.711   2.222 -11.543
  157   2HB   LYS  20          1HB       LYS  20  12.635   1.373 -10.008
  158   1HG   LYS  20          2HG       LYS  20  14.405   0.269 -11.029
  159   2HG   LYS  20          1HG       LYS  20  13.052  -0.759 -11.500
  160   1HD   LYS  20          2HD       LYS  20  12.870   0.605 -13.620
  161   2HD   LYS  20          1HD       LYS  20  14.379   1.395 -13.163
  162   1HE   LYS  20          2HE       LYS  20  15.486  -0.830 -13.067
  163   2HE   LYS  20          1HE       LYS  20  13.984  -1.577 -13.612
  164   1HZ   LYS  20          2HZ       LYS  20  15.195   0.619 -15.157
  165   2HZ   LYS  20          1HZ       LYS  20  15.777  -0.967 -15.334
  166   3HZ   LYS  20          3HZ       LYS  20  14.155  -0.616 -15.686
  167    H    PHE  21           H        PHE  21   9.830   2.029  -9.499
  168    HA   PHE  21           HA       PHE  21   9.807  -0.309  -7.686
  169   1HB   PHE  21          2HB       PHE  21   8.757   2.496  -7.212
  170   2HB   PHE  21          1HB       PHE  21   9.055   1.260  -5.990
  171    HD1  PHE  21           HD1      PHE  21  11.496   0.286  -5.908
  172    HD2  PHE  21           HD2      PHE  21  10.445   4.034  -7.725
  173    HE1  PHE  21           HE1      PHE  21  13.854   1.036  -5.730
  174    HE2  PHE  21           HE2      PHE  21  12.801   4.784  -7.541
  175    HZ   PHE  21           HZ       PHE  21  14.506   3.284  -6.543
  176    H    ILE  22           H        ILE  22   7.421   1.944  -9.128
  177    HA   ILE  22           HA       ILE  22   5.321  -0.093  -8.520
  178    HB   ILE  22           HB       ILE  22   4.977   2.140  -7.489
  179   1HG1  ILE  22          2HG1      ILE  22   2.958   1.836  -9.707
  180   2HG1  ILE  22          1HG1      ILE  22   3.096   0.618  -8.439
  181   1HG2  ILE  22          2HG2      ILE  22   4.951   3.074 -10.374
  182   2HG2  ILE  22          1HG2      ILE  22   4.420   4.051  -9.005
  183   3HG2  ILE  22          3HG2      ILE  22   6.105   3.543  -9.125
  184   1HD1  ILE  22          3HD1      ILE  22   2.650   3.581  -7.961
  185   2HD1  ILE  22          2HD1      ILE  22   1.398   2.342  -7.879
  186   3HD1  ILE  22          1HD1      ILE  22   2.727   2.329  -6.721
  187    H    HIS  23           H        HIS  23   3.672  -0.433 -10.206
  188    HA   HIS  23           HA       HIS  23   4.174   0.545 -12.915
  189   1HB   HIS  23          2HB       HIS  23   5.906  -1.207 -12.720
  190   2HB   HIS  23          1HB       HIS  23   4.675  -2.375 -12.247
  191    HD1  HIS  23           HD1      HIS  23   5.260   0.020 -15.176
  192    HD2  HIS  23           HD2      HIS  23   3.728  -3.782 -14.418
  193    HE1  HIS  23           HE1      HIS  23   4.604  -0.951 -17.422
  194    H    TRP  24           H        TRP  24   2.439  -0.050 -14.356
  195    HA   TRP  24           HA       TRP  24  -0.066  -0.689 -12.964
  196   1HB   TRP  24          2HB       TRP  24   0.654   0.192 -15.746
  197   2HB   TRP  24          1HB       TRP  24  -0.944  -0.478 -15.424
  198    HD1  TRP  24           HD1      TRP  24   1.313   2.083 -13.564
  199    HE1  TRP  24           HE1      TRP  24  -0.166   4.096 -12.915
  200    HE3  TRP  24           HE3      TRP  24  -3.155   0.567 -15.507
  201    HZ2  TRP  24           HZ2      TRP  24  -2.880   4.952 -13.186
  202    HZ3  TRP  24           HZ3      TRP  24  -5.169   1.995 -15.299
  203    HH2  TRP  24           HH2      TRP  24  -5.039   4.185 -14.143
  204    H    SER  25           H        SER  25  -1.417  -2.475 -13.494
  205    HA   SER  25           HA       SER  25   0.079  -4.870 -14.372
  206   1HB   SER  25          2HB       SER  25  -1.364  -4.912 -12.316
  207   2HB   SER  25          1HB       SER  25  -2.768  -4.649 -13.346
  208    HG   SER  25           HG       SER  25  -2.161  -6.582 -14.461
  209    H    THR  26           H        THR  26  -2.517  -2.753 -15.426
  210    HA   THR  26           HA       THR  26  -3.612  -2.571 -17.484
  211    HB   THR  26           HB       THR  26  -1.661  -4.613 -18.559
  212    HG1  THR  26           HG1      THR  26  -1.306  -1.838 -18.110
  213   1HG2  THR  26          2HG2      THR  26  -3.093  -2.229 -19.762
  214   2HG2  THR  26          1HG2      THR  26  -1.946  -3.257 -20.620
  215   3HG2  THR  26          3HG2      THR  26  -3.476  -3.926 -20.054
  216    H    SER  27           H        SER  27  -5.354  -3.634 -18.484
  217    HA   SER  27           HA       SER  27  -7.021  -5.268 -18.716
  218   1HB   SER  27          2HB       SER  27  -4.892  -6.453 -19.683
  219   2HB   SER  27          1HB       SER  27  -4.947  -7.385 -18.189
  220    HG   SER  27           HG       SER  27  -6.346  -8.529 -19.278
  221    H    GLY  28           H        GLY  28  -7.478  -4.280 -16.429
  222   1HA   GLY  28          2HA       GLY  28  -8.721  -5.869 -14.689
  223   2HA   GLY  28          1HA       GLY  28  -7.056  -6.246 -14.250
  224    H    GLU  29           H        GLU  29  -6.446  -3.280 -15.032
  225    HA   GLU  29           HA       GLU  29  -6.183  -1.275 -13.860
  226   1HB   GLU  29          2HB       GLU  29  -8.971  -2.134 -13.192
  227   2HB   GLU  29          1HB       GLU  29  -8.266  -0.801 -12.278
  228   1HG   GLU  29          2HG       GLU  29  -8.062   0.561 -14.159
  229   2HG   GLU  29          1HG       GLU  29  -8.054  -0.808 -15.272
  230    H    SER  30           H        SER  30  -4.863  -3.487 -12.766
  231    HA   SER  30           HA       SER  30  -5.189  -3.047  -9.823
  232   1HB   SER  30          2HB       SER  30  -5.591  -5.360 -10.265
  233   2HB   SER  30          1HB       SER  30  -4.242  -5.454 -11.394
  234    HG   SER  30           HG       SER  30  -4.277  -5.763  -8.709
  235    H    ILE  31           H        ILE  31  -3.198  -2.880  -8.591
  236    HA   ILE  31           HA       ILE  31  -0.936  -1.819 -10.226
  237    HB   ILE  31           HB       ILE  31  -1.397  -1.438  -7.251
  238   1HG1  ILE  31          2HG1      ILE  31  -2.082   0.494  -9.484
  239   2HG1  ILE  31          1HG1      ILE  31  -3.276  -0.539  -8.697
  240   1HG2  ILE  31          2HG2      ILE  31   0.552  -0.464  -9.280
  241   2HG2  ILE  31          1HG2      ILE  31   0.001   0.705  -8.078
  242   3HG2  ILE  31          3HG2      ILE  31   0.784  -0.790  -7.561
  243   1HD1  ILE  31          2HD1      ILE  31  -2.696   0.463  -6.512
  244   2HD1  ILE  31          1HD1      ILE  31  -1.523   1.511  -7.309
  245   3HD1  ILE  31          3HD1      ILE  31  -3.243   1.691  -7.654
  246    H    VAL  32           H        VAL  32   1.063  -2.819 -10.115
  247    HA   VAL  32           HA       VAL  32   1.259  -5.187  -8.293
  248    HB   VAL  32           HB       VAL  32   2.696  -4.717 -10.924
  249   1HG1  VAL  32          1HG1      VAL  32   2.569  -7.025  -8.973
  250   2HG1  VAL  32          3HG1      VAL  32   3.074  -7.242 -10.648
  251   3HG1  VAL  32          2HG1      VAL  32   4.000  -6.191  -9.576
  252   1HG2  VAL  32          1HG2      VAL  32   0.045  -5.213 -10.711
  253   2HG2  VAL  32          3HG2      VAL  32   1.035  -5.879 -12.010
  254   3HG2  VAL  32          2HG2      VAL  32   0.657  -6.863 -10.597
  255    H    VAL  33           H        VAL  33   2.687  -4.940  -6.667
  256    HA   VAL  33           HA       VAL  33   4.930  -2.985  -7.034
  257    HB   VAL  33           HB       VAL  33   3.716  -4.083  -4.478
  258   1HG1  VAL  33          1HG1      VAL  33   5.909  -2.053  -4.982
  259   2HG1  VAL  33          3HG1      VAL  33   5.106  -2.254  -3.425
  260   3HG1  VAL  33          2HG1      VAL  33   6.049  -3.579  -4.107
  261   1HG2  VAL  33          2HG2      VAL  33   2.229  -2.512  -5.670
  262   2HG2  VAL  33          1HG2      VAL  33   2.857  -1.784  -4.191
  263   3HG2  VAL  33          3HG2      VAL  33   3.540  -1.335  -5.754
  264    HA   PRO  34           HA       PRO  34   7.014  -6.993  -7.009
  265   1HB   PRO  34          2HB       PRO  34   9.225  -6.225  -8.438
  266   2HB   PRO  34          1HB       PRO  34   7.713  -6.763  -9.189
  267   1HG   PRO  34          2HG       PRO  34   8.824  -4.013  -8.973
  268   2HG   PRO  34          1HG       PRO  34   7.711  -4.686 -10.175
  269   1HD   PRO  34          2HD       PRO  34   6.997  -3.042  -7.988
  270   2HD   PRO  34          1HD       PRO  34   5.883  -3.965  -9.011
  271    H    ASN  35           H        ASN  35   8.464  -3.799  -6.418
  272    HA   ASN  35           HA       ASN  35  10.124  -5.061  -4.271
  273   1HB   ASN  35          2HB       ASN  35  10.808  -2.930  -6.287
  274   2HB   ASN  35          1HB       ASN  35  11.648  -2.986  -4.736
  275   1HD2  ASN  35          2HD2      ASN  35  13.838  -5.156  -6.584
  276   2HD2  ASN  35          1HD2      ASN  35  13.615  -3.541  -6.110
  277    H    ARG  36           H        ARG  36   8.124  -4.542  -2.964
  278    HA   ARG  36           HA       ARG  36   7.301  -1.827  -2.512
  279   1HB   ARG  36          2HB       ARG  36   6.088  -2.698  -0.600
  280   2HB   ARG  36          1HB       ARG  36   5.973  -3.889  -1.892
  281   1HG   ARG  36          2HG       ARG  36   6.656  -5.356  -0.289
  282   2HG   ARG  36          1HG       ARG  36   8.259  -4.709  -0.627
  283   1HD   ARG  36          2HD       ARG  36   8.254  -3.337   1.260
  284   2HD   ARG  36          1HD       ARG  36   6.495  -3.291   1.346
  285    HE   ARG  36           HE       ARG  36   7.041  -5.931   1.857
  286   1HH1  ARG  36          1HH2      ARG  36   9.537  -5.836   3.009
  287   2HH1  ARG  36          2HH2      ARG  36   9.336  -5.180   4.600
  288   1HH2  ARG  36          2HH1      ARG  36   6.215  -3.821   3.936
  289   2HH2  ARG  36          1HH1      ARG  36   7.456  -4.041   5.125
  290    H    GLU  37           H        GLU  37   9.906  -3.781  -1.256
  291    HA   GLU  37           HA       GLU  37  10.530  -2.372   1.121
  292   1HB   GLU  37          2HB       GLU  37  11.532  -4.553   0.317
  293   2HB   GLU  37          1HB       GLU  37  12.546  -3.607  -0.770
  294   1HG   GLU  37          2HG       GLU  37  13.781  -2.683   0.958
  295   2HG   GLU  37          1HG       GLU  37  12.468  -2.852   2.125
  296    H    ARG  38           H        ARG  38  12.388  -2.026  -1.926
  297    HA   ARG  38           HA       ARG  38  13.592   0.446  -1.153
  298   1HB   ARG  38          2HB       ARG  38  13.293  -1.070  -3.713
  299   2HB   ARG  38          1HB       ARG  38  13.832   0.606  -3.794
  300   1HG   ARG  38          2HG       ARG  38  15.850  -0.579  -3.584
  301   2HG   ARG  38          1HG       ARG  38  15.509  -0.081  -1.926
  302   1HD   ARG  38          2HD       ARG  38  14.702  -2.241  -1.334
  303   2HD   ARG  38          1HD       ARG  38  14.589  -2.744  -3.020
  304    HE   ARG  38           HE       ARG  38  17.308  -2.066  -2.383
  305   1HH1  ARG  38          1HH2      ARG  38  16.297  -3.849  -0.083
  306   2HH1  ARG  38          2HH2      ARG  38  16.773  -5.411  -0.662
  307   1HH2  ARG  38          2HH1      ARG  38  17.315  -4.337  -3.913
  308   2HH2  ARG  38          1HH1      ARG  38  17.350  -5.687  -2.829
  309    H    PHE  39           H        PHE  39  10.515  -0.275  -2.662
  310    HA   PHE  39           HA       PHE  39   9.898   2.190  -3.887
  311   1HB   PHE  39          2HB       PHE  39   8.377   0.393  -4.222
  312   2HB   PHE  39          1HB       PHE  39   8.203   0.107  -2.494
  313    HD1  PHE  39           HD1      PHE  39   7.310   2.410  -5.279
  314    HD2  PHE  39           HD2      PHE  39   6.649   1.348  -1.168
  315    HE1  PHE  39           HE1      PHE  39   5.339   3.917  -5.202
  316    HE2  PHE  39           HE2      PHE  39   4.679   2.852  -1.094
  317    HZ   PHE  39           HZ       PHE  39   4.025   4.137  -3.110
  318    H    VAL  40           H        VAL  40   8.887   1.234  -0.581
  319    HA   VAL  40           HA       VAL  40   7.989   3.790   0.228
  320    HB   VAL  40           HB       VAL  40   9.261   1.699   2.016
  321   1HG1  VAL  40          2HG1      VAL  40   8.793   3.911   3.050
  322   2HG1  VAL  40          1HG1      VAL  40   7.110   3.774   2.542
  323   3HG1  VAL  40          3HG1      VAL  40   7.772   2.640   3.720
  324   1HG2  VAL  40          3HG2      VAL  40   6.510   1.895   0.778
  325   2HG2  VAL  40          2HG2      VAL  40   7.612   0.520   0.773
  326   3HG2  VAL  40          1HG2      VAL  40   6.793   0.988   2.263
  327    H    GLN  41           H        GLN  41  11.141   2.261   0.885
  328    HA   GLN  41           HA       GLN  41  12.327   4.424   2.253
  329   1HB   GLN  41          2HB       GLN  41  13.381   2.093   0.703
  330   2HB   GLN  41          1HB       GLN  41  14.507   3.344   1.231
  331   1HG   GLN  41          2HG       GLN  41  12.628   2.541   3.342
  332   2HG   GLN  41          1HG       GLN  41  13.633   1.208   2.775
  333   1HE2  GLN  41          2HE2      GLN  41  16.188   2.368   4.907
  334   2HE2  GLN  41          1HE2      GLN  41  15.185   1.078   4.446
  335    H    GLU  42           H        GLU  42  11.608   4.230  -1.146
  336    HA   GLU  42           HA       GLU  42  13.196   6.734  -1.515
  337   1HB   GLU  42          2HB       GLU  42  13.184   4.312  -3.326
  338   2HB   GLU  42          1HB       GLU  42  13.768   5.896  -3.837
  339   1HG   GLU  42          2HG       GLU  42  15.580   5.853  -2.366
  340   2HG   GLU  42          1HG       GLU  42  14.808   4.684  -1.293
  341    H    VAL  43           H        VAL  43  10.201   6.025  -1.266
  342    HA   VAL  43           HA       VAL  43   9.383   7.755  -3.514
  343    HB   VAL  43           HB       VAL  43   8.056   5.056  -3.128
  344   1HG1  VAL  43          3HG1      VAL  43   6.747   7.086  -4.027
  345   2HG1  VAL  43          2HG1      VAL  43   7.798   6.984  -5.441
  346   3HG1  VAL  43          1HG1      VAL  43   6.746   5.631  -5.024
  347   1HG2  VAL  43          3HG2      VAL  43  10.032   6.027  -5.217
  348   2HG2  VAL  43          2HG2      VAL  43  10.274   4.709  -4.071
  349   3HG2  VAL  43          1HG2      VAL  43   9.086   4.546  -5.362
  350    H    LEU  44           H        LEU  44   8.368   5.949  -0.597
  351    HA   LEU  44           HA       LEU  44   5.831   7.210  -0.310
  352   1HB   LEU  44          2HB       LEU  44   6.825   5.200   0.985
  353   2HB   LEU  44          1HB       LEU  44   7.510   6.415   2.061
  354    HG   LEU  44           HG       LEU  44   5.182   7.390   2.274
  355   1HD1  LEU  44          1HD1      LEU  44   4.634   4.953   0.610
  356   2HD1  LEU  44          3HD1      LEU  44   3.425   5.487   1.779
  357   3HD1  LEU  44          2HD1      LEU  44   3.938   6.568   0.483
  358   1HD2  LEU  44          1HD2      LEU  44   6.419   5.488   3.730
  359   2HD2  LEU  44          3HD2      LEU  44   4.798   6.065   4.114
  360   3HD2  LEU  44          2HD2      LEU  44   5.008   4.566   3.209
  361    HA   PRO  45           HA       PRO  45   7.885  10.491   2.402
  362   1HB   PRO  45          2HB       PRO  45  10.596  10.857   2.280
  363   2HB   PRO  45          1HB       PRO  45   9.800   9.837   3.491
  364   1HG   PRO  45          2HG       PRO  45  11.361   9.032   1.089
  365   2HG   PRO  45          1HG       PRO  45  11.103   8.158   2.608
  366   1HD   PRO  45          2HD       PRO  45   9.779   7.654   0.168
  367   2HD   PRO  45          1HD       PRO  45   9.310   7.039   1.762
  368    H    LYS  46           H        LYS  46   8.822   9.775  -0.836
  369    HA   LYS  46           HA       LYS  46   9.657  12.513  -1.482
  370   1HB   LYS  46          2HB       LYS  46   9.713   9.898  -2.776
  371   2HB   LYS  46          1HB       LYS  46   9.180  11.161  -3.884
  372   1HG   LYS  46          2HG       LYS  46  11.214  12.189  -3.899
  373   2HG   LYS  46          1HG       LYS  46  11.495  11.885  -2.185
  374   1HD   LYS  46          2HD       LYS  46  11.923   9.470  -2.756
  375   2HD   LYS  46          1HD       LYS  46  11.831   9.913  -4.461
  376   1HE   LYS  46          2HE       LYS  46  13.659  11.470  -2.668
  377   2HE   LYS  46          1HE       LYS  46  14.167   9.872  -3.217
  378   1HZ   LYS  46          2HZ       LYS  46  13.503  10.707  -5.517
  379   2HZ   LYS  46          1HZ       LYS  46  13.540  12.262  -4.832
  380   3HZ   LYS  46          3HZ       LYS  46  14.943  11.310  -4.849
  381    H    TYR  47           H        TYR  47   6.645  11.197  -0.903
  382    HA   TYR  47           HA       TYR  47   5.405  13.167  -2.772
  383   1HB   TYR  47          2HB       TYR  47   4.624  10.312  -2.236
  384   2HB   TYR  47          1HB       TYR  47   3.409  11.490  -2.733
  385    HD1  TYR  47           HD2      TYR  47   6.591   9.847  -3.715
  386    HD2  TYR  47           HD1      TYR  47   3.334  12.354  -4.968
  387    HE1  TYR  47           HE2      TYR  47   7.339   9.643  -6.070
  388    HE2  TYR  47           HE1      TYR  47   4.085  12.150  -7.324
  389    HH   TYR  47           HH       TYR  47   5.424  10.500  -8.688
  390    H    PHE  48           H        PHE  48   5.012  11.333   0.268
  391    HA   PHE  48           HA       PHE  48   2.978  13.310   1.128
  392   1HB   PHE  48          2HB       PHE  48   3.824  10.604   2.133
  393   2HB   PHE  48          1HB       PHE  48   2.928  11.697   3.189
  394    HD1  PHE  48           HD1      PHE  48   0.913  12.963   1.836
  395    HD2  PHE  48           HD2      PHE  48   2.520   9.079   0.945
  396    HE1  PHE  48           HE1      PHE  48  -1.199  12.352   0.688
  397    HE2  PHE  48           HE2      PHE  48   0.406   8.468  -0.202
  398    HZ   PHE  48           HZ       PHE  48  -1.453  10.104  -0.329
  399    H    LYS  49           H        LYS  49   4.975  11.907   3.654
  400    HA   LYS  49           HA       LYS  49   7.072  13.769   3.816
  401   1HB   LYS  49          2HB       LYS  49   6.090  15.293   5.642
  402   2HB   LYS  49          1HB       LYS  49   5.598  15.615   3.989
  403   1HG   LYS  49          2HG       LYS  49   3.594  14.010   4.560
  404   2HG   LYS  49          1HG       LYS  49   4.010  14.407   6.225
  405   1HD   LYS  49          2HD       LYS  49   3.565  16.513   4.102
  406   2HD   LYS  49          1HD       LYS  49   2.274  15.920   5.148
  407   1HE   LYS  49          2HE       LYS  49   4.848  16.861   6.375
  408   2HE   LYS  49          1HE       LYS  49   3.650  18.046   5.861
  409   1HZ   LYS  49          2HZ       LYS  49   2.763  15.756   7.467
  410   2HZ   LYS  49          1HZ       LYS  49   3.579  17.027   8.247
  411   3HZ   LYS  49          3HZ       LYS  49   2.144  17.337   7.400
  412    H    HIS  50           H        HIS  50   4.545  12.505   6.014
  413    HA   HIS  50           HA       HIS  50   6.703  11.084   7.503
  414   1HB   HIS  50          2HB       HIS  50   4.464  12.698   8.760
  415   2HB   HIS  50          1HB       HIS  50   5.638  11.721   9.639
  416    HD1  HIS  50           HD1      HIS  50   5.184  15.014   9.499
  417    HD2  HIS  50           HD2      HIS  50   8.362  12.760   8.016
  418    HE1  HIS  50           HE1      HIS  50   7.160  16.590   9.325
  419    H    SER  51           H        SER  51   4.535  10.253   5.561
  420    HA   SER  51           HA       SER  51   2.704   8.699   7.286
  421   1HB   SER  51          2HB       SER  51   2.194   9.875   4.958
  422   2HB   SER  51          1HB       SER  51   2.801   8.353   4.314
  423    HG   SER  51           HG       SER  51   0.923   7.566   4.801
  424    H    ASN  52           H        ASN  52   2.392   6.300   6.399
  425    HA   ASN  52           HA       ASN  52   5.068   5.088   5.867
  426   1HB   ASN  52          2HB       ASN  52   3.293   4.678   8.217
  427   2HB   ASN  52          1HB       ASN  52   4.014   3.227   7.521
  428   1HD2  ASN  52          2HD2      ASN  52   7.302   4.013   8.598
  429   2HD2  ASN  52          1HD2      ASN  52   6.340   2.983   7.651
  430    H    PHE  53           H        PHE  53   4.789   2.707   5.270
  431    HA   PHE  53           HA       PHE  53   3.096   2.423   3.024
  432   1HB   PHE  53          2HB       PHE  53   3.627  -0.006   3.177
  433   2HB   PHE  53          1HB       PHE  53   5.062   1.003   3.345
  434    HD1  PHE  53           HD1      PHE  53   2.643  -1.140   5.132
  435    HD2  PHE  53           HD2      PHE  53   6.250   1.166   5.463
  436    HE1  PHE  53           HE1      PHE  53   3.101  -2.175   7.338
  437    HE2  PHE  53           HE2      PHE  53   6.707   0.133   7.670
  438    HZ   PHE  53           HZ       PHE  53   5.133  -1.538   8.608
  439    H    ALA  54           H        ALA  54   2.562   1.539   6.406
  440    HA   ALA  54           HA       ALA  54   0.192   0.000   6.061
  441   1HB   ALA  54          1HB       ALA  54   1.044   1.776   8.368
  442   2HB   ALA  54          3HB       ALA  54  -0.284   0.618   8.437
  443   3HB   ALA  54          2HB       ALA  54   1.368   0.051   8.198
  444    H    SER  55           H        SER  55   0.678   3.505   6.407
  445    HA   SER  55           HA       SER  55  -2.120   4.178   6.520
  446   1HB   SER  55          2HB       SER  55   0.415   5.591   6.402
  447   2HB   SER  55          1HB       SER  55  -0.768   6.352   5.344
  448    HG   SER  55           HG       SER  55  -0.970   5.786   8.114
  449    H    PHE  56           H        PHE  56   0.188   3.785   3.861
  450    HA   PHE  56           HA       PHE  56  -1.421   4.808   1.748
  451   1HB   PHE  56          2HB       PHE  56   1.071   3.972   1.782
  452   2HB   PHE  56          1HB       PHE  56   0.361   2.417   1.351
  453    HD1  PHE  56           HD2      PHE  56  -1.370   2.450  -0.621
  454    HD2  PHE  56           HD1      PHE  56   1.538   5.529   0.094
  455    HE1  PHE  56           HE2      PHE  56  -1.574   3.189  -2.980
  456    HE2  PHE  56           HE1      PHE  56   1.336   6.267  -2.266
  457    HZ   PHE  56           HZ       PHE  56  -0.222   5.096  -3.802
  458    H    VAL  57           H        VAL  57  -1.235   1.541   3.150
  459    HA   VAL  57           HA       VAL  57  -3.071   0.314   1.315
  460    HB   VAL  57           HB       VAL  57  -2.557  -0.491   4.192
  461   1HG1  VAL  57          1HG1      VAL  57  -3.510  -1.956   1.718
  462   2HG1  VAL  57          3HG1      VAL  57  -2.986  -2.777   3.188
  463   3HG1  VAL  57          2HG1      VAL  57  -4.393  -1.713   3.225
  464   1HG2  VAL  57          2HG2      VAL  57  -0.881  -0.659   1.729
  465   2HG2  VAL  57          1HG2      VAL  57  -0.387  -0.536   3.417
  466   3HG2  VAL  57          3HG2      VAL  57  -0.922  -2.085   2.766
  467    H    ARG  58           H        ARG  58  -3.522   2.001   4.404
  468    HA   ARG  58           HA       ARG  58  -6.264   1.326   4.803
  469   1HB   ARG  58          2HB       ARG  58  -4.333   2.996   6.041
  470   2HB   ARG  58          1HB       ARG  58  -5.720   4.025   5.693
  471   1HG   ARG  58          2HG       ARG  58  -6.403   3.165   7.722
  472   2HG   ARG  58          1HG       ARG  58  -7.051   1.916   6.660
  473   1HD   ARG  58          2HD       ARG  58  -5.689   0.358   7.553
  474   2HD   ARG  58          1HD       ARG  58  -4.269   1.371   7.295
  475    HE   ARG  58           HE       ARG  58  -5.667   2.411   9.535
  476   1HH1  ARG  58          1HH2      ARG  58  -2.814   1.036   8.976
  477   2HH1  ARG  58          2HH2      ARG  58  -2.768  -0.010  10.356
  478   1HH2  ARG  58          2HH1      ARG  58  -6.116   0.444  11.140
  479   2HH2  ARG  58          1HH1      ARG  58  -4.639  -0.345  11.582
  480    H    GLN  59           H        GLN  59  -4.828   4.179   3.176
  481    HA   GLN  59           HA       GLN  59  -7.264   5.439   2.449
  482   1HB   GLN  59          2HB       GLN  59  -4.497   5.463   1.264
  483   2HB   GLN  59          1HB       GLN  59  -5.817   6.310   0.462
  484   1HG   GLN  59          2HG       GLN  59  -4.738   7.902   1.904
  485   2HG   GLN  59          1HG       GLN  59  -6.277   7.483   2.656
  486   1HE2  GLN  59          2HE2      GLN  59  -2.821   6.690   4.602
  487   2HE2  GLN  59          1HE2      GLN  59  -2.846   7.506   3.114
  488    H    LEU  60           H        LEU  60  -5.312   3.079   0.603
  489    HA   LEU  60           HA       LEU  60  -6.876   2.994  -1.744
  490   1HB   LEU  60          2HB       LEU  60  -5.372   0.749  -0.369
  491   2HB   LEU  60          1HB       LEU  60  -5.971   0.687  -2.027
  492    HG   LEU  60           HG       LEU  60  -4.132   2.876  -1.042
  493   1HD1  LEU  60          3HD1      LEU  60  -3.522   0.127  -2.103
  494   2HD1  LEU  60          2HD1      LEU  60  -2.429   1.465  -2.454
  495   3HD1  LEU  60          1HD1      LEU  60  -2.750   1.005  -0.782
  496   1HD2  LEU  60          3HD2      LEU  60  -5.654   2.565  -3.379
  497   2HD2  LEU  60          2HD2      LEU  60  -4.316   3.689  -3.144
  498   3HD2  LEU  60          1HD2      LEU  60  -4.019   2.103  -3.857
  499    H    ASN  61           H        ASN  61  -7.329   1.209   1.298
  500    HA   ASN  61           HA       ASN  61  -9.540  -0.376   0.344
  501   1HB   ASN  61          2HB       ASN  61  -8.033  -0.072   2.774
  502   2HB   ASN  61          1HB       ASN  61  -9.749  -0.005   3.170
  503   1HD2  ASN  61          2HD2      ASN  61  -8.107  -3.505   1.866
  504   2HD2  ASN  61          1HD2      ASN  61  -7.195  -2.074   1.861
  505    H    MET  62           H        MET  62  -9.281   2.856   1.681
  506    HA   MET  62           HA       MET  62 -12.173   3.061   2.163
  507   1HB   MET  62          2HB       MET  62  -9.823   4.903   2.501
  508   2HB   MET  62          1HB       MET  62 -11.465   5.546   2.552
  509   1HG   MET  62          2HG       MET  62 -12.006   3.794   4.290
  510   2HG   MET  62          1HG       MET  62 -10.288   3.398   4.334
  511   1HE   MET  62          2HE       MET  62  -8.584   4.519   4.951
  512   2HE   MET  62          1HE       MET  62  -8.433   6.053   5.805
  513   3HE   MET  62          3HE       MET  62  -9.007   4.613   6.660
  514    H    TYR  63           H        TYR  63 -10.618   2.947  -0.688
  515    HA   TYR  63           HA       TYR  63 -12.360   5.074  -1.863
  516   1HB   TYR  63          2HB       TYR  63  -9.526   4.322  -2.511
  517   2HB   TYR  63          1HB       TYR  63 -10.556   5.060  -3.739
  518    HD1  TYR  63           HD2      TYR  63 -12.026   7.117  -2.760
  519    HD2  TYR  63           HD1      TYR  63  -8.246   5.779  -1.233
  520    HE1  TYR  63           HE2      TYR  63 -11.655   9.346  -1.737
  521    HE2  TYR  63           HE1      TYR  63  -7.869   8.007  -0.208
  522    HH   TYR  63           HH       TYR  63  -9.620   9.964   0.617
  523    H    GLY  64           H        GLY  64 -11.684   1.730  -1.810
  524   1HA   GLY  64          2HA       GLY  64 -13.597   0.557  -3.126
  525   2HA   GLY  64          1HA       GLY  64 -12.874   1.360  -4.520
  526    H    TRP  65           H        TRP  65 -10.128   1.016  -3.441
  527    HA   TRP  65           HA       TRP  65  -9.488  -1.489  -4.671
  528   1HB   TRP  65          2HB       TRP  65  -7.822   0.096  -2.688
  529   2HB   TRP  65          1HB       TRP  65  -7.223  -1.120  -3.812
  530    HD1  TRP  65           HD1      TRP  65  -8.538   2.457  -3.668
  531    HE1  TRP  65           HE1      TRP  65  -8.042   3.626  -5.915
  532    HE3  TRP  65           HE3      TRP  65  -6.822  -1.524  -6.374
  533    HZ2  TRP  65           HZ2      TRP  65  -7.046   2.958  -8.510
  534    HZ3  TRP  65           HZ3      TRP  65  -6.106  -1.227  -8.727
  535    HH2  TRP  65           HH2      TRP  65  -6.215   1.006  -9.798
  536    H    HIS  66           H        HIS  66  -8.575  -3.413  -3.574
  537    HA   HIS  66           HA       HIS  66  -9.407  -3.713  -0.730
  538   1HB   HIS  66          2HB       HIS  66 -10.258  -5.441  -3.057
  539   2HB   HIS  66          1HB       HIS  66 -10.284  -6.032  -1.396
  540    HD1  HIS  66           HD1      HIS  66 -11.701  -4.412   0.324
  541    HD2  HIS  66           HD2      HIS  66 -12.530  -4.013  -3.742
  542    HE1  HIS  66           HE1      HIS  66 -13.946  -3.252   0.161
  543    H    LYS  67           H        LYS  67  -7.107  -3.666  -0.295
  544    HA   LYS  67           HA       LYS  67  -5.195  -5.394  -1.520
  545   1HB   LYS  67          2HB       LYS  67  -5.291  -3.565   0.720
  546   2HB   LYS  67          1HB       LYS  67  -4.446  -5.035   1.200
  547   1HG   LYS  67          2HG       LYS  67  -3.445  -4.491  -1.355
  548   2HG   LYS  67          1HG       LYS  67  -3.578  -2.902  -0.603
  549   1HD   LYS  67          2HD       LYS  67  -1.450  -3.593   0.084
  550   2HD   LYS  67          1HD       LYS  67  -2.454  -4.069   1.455
  551   1HE   LYS  67          2HE       LYS  67  -0.918  -5.894   0.765
  552   2HE   LYS  67          1HE       LYS  67  -2.608  -6.355   0.578
  553   1HZ   LYS  67          2HZ       LYS  67  -1.207  -5.113  -1.685
  554   2HZ   LYS  67          1HZ       LYS  67  -0.924  -6.752  -1.342
  555   3HZ   LYS  67          3HZ       LYS  67  -2.497  -6.220  -1.689
  556    H    VAL  68           H        VAL  68  -5.356  -7.576  -1.559
  557    HA   VAL  68           HA       VAL  68  -6.929  -9.081   0.353
  558    HB   VAL  68           HB       VAL  68  -4.840 -10.102  -1.600
  559   1HG1  VAL  68          2HG1      VAL  68  -5.686 -11.674   0.197
  560   2HG1  VAL  68          1HG1      VAL  68  -7.301 -11.470  -0.479
  561   3HG1  VAL  68          3HG1      VAL  68  -6.024 -12.199  -1.451
  562   1HG2  VAL  68          2HG2      VAL  68  -6.562  -8.681  -2.698
  563   2HG2  VAL  68          1HG2      VAL  68  -6.707 -10.375  -3.169
  564   3HG2  VAL  68          3HG2      VAL  68  -7.821  -9.689  -1.986
  565    H    GLN  69           H        GLN  69  -6.099 -10.586   1.931
  566    HA   GLN  69           HA       GLN  69  -3.903  -9.611   3.483
  567   1HB   GLN  69          2HB       GLN  69  -5.814 -11.826   3.600
  568   2HB   GLN  69          1HB       GLN  69  -4.230 -12.286   4.223
  569   1HG   GLN  69          2HG       GLN  69  -4.284 -10.679   5.919
  570   2HG   GLN  69          1HG       GLN  69  -5.462  -9.679   5.070
  571   1HE2  GLN  69          2HE2      GLN  69  -8.052 -11.100   6.971
  572   2HE2  GLN  69          1HE2      GLN  69  -7.344  -9.705   6.313
  573    H    ASP  70           H        ASP  70  -4.122 -12.728   1.722
  574    HA   ASP  70           HA       ASP  70  -2.449 -14.018   0.702
  575   1HB   ASP  70          2HB       ASP  70  -1.129 -11.302   0.406
  576   2HB   ASP  70          1HB       ASP  70  -0.669 -12.765  -0.466
  577    H    VAL  71           H        VAL  71  -2.011 -14.957   2.852
  578    HA   VAL  71           HA       VAL  71   0.767 -14.945   3.516
  579    HB   VAL  71           HB       VAL  71   0.229 -12.729   4.481
  580   1HG1  VAL  71          2HG1      VAL  71  -2.211 -13.481   4.977
  581   2HG1  VAL  71          1HG1      VAL  71  -1.545 -14.112   6.484
  582   3HG1  VAL  71          3HG1      VAL  71  -1.423 -12.392   6.119
  583   1HG2  VAL  71          2HG2      VAL  71   1.677 -14.708   5.644
  584   2HG2  VAL  71          1HG2      VAL  71   1.542 -13.084   6.318
  585   3HG2  VAL  71          3HG2      VAL  71   0.516 -14.381   6.929
  586    H    LYS  72           H        LYS  72   0.933 -17.074   4.000
  587    HA   LYS  72           HA       LYS  72  -0.742 -18.209   6.142
  588   1HB   LYS  72          2HB       LYS  72  -1.743 -18.488   3.658
  589   2HB   LYS  72          1HB       LYS  72  -0.648 -19.869   3.671
  590   1HG   LYS  72          2HG       LYS  72  -2.460 -20.893   4.638
  591   2HG   LYS  72          1HG       LYS  72  -1.766 -20.190   6.100
  592   1HD   LYS  72          2HD       LYS  72  -3.998 -19.481   6.219
  593   2HD   LYS  72          1HD       LYS  72  -3.198 -18.096   5.476
  594   1HE   LYS  72          2HE       LYS  72  -4.668 -18.273   3.776
  595   2HE   LYS  72          1HE       LYS  72  -3.861 -19.774   3.323
  596   1HZ   LYS  72          3HZ       LYS  72  -6.012 -19.637   5.357
  597   2HZ   LYS  72          2HZ       LYS  72  -6.305 -19.954   3.714
  598   3HZ   LYS  72          1HZ       LYS  72  -5.357 -21.023   4.633
  599    H    SER  73           H        SER  73   1.325 -19.488   3.503
  600    HA   SER  73           HA       SER  73   2.701 -21.273   5.344
  601   1HB   SER  73          2HB       SER  73   2.273 -21.567   2.787
  602   2HB   SER  73          1HB       SER  73   3.714 -20.575   2.595
  603    HG   SER  73           HG       SER  73   4.813 -22.299   3.029
  604    H    GLY  74           H        GLY  74   4.075 -18.731   3.215
  605   1HA   GLY  74          2HA       GLY  74   5.292 -16.943   4.749
  606   2HA   GLY  74          1HA       GLY  74   6.248 -18.353   5.205
  607    H    SER  75           H        SER  75   6.420 -19.660   2.729
  608    HA   SER  75           HA       SER  75   8.257 -17.814   1.315
  609   1HB   SER  75          2HB       SER  75   8.838 -20.061   0.104
  610   2HB   SER  75          1HB       SER  75   9.383 -19.815   1.760
  611    HG   SER  75           HG       SER  75   8.310 -21.857   1.355
  612    H    MET  76           H        MET  76   7.015 -20.392  -0.670
  613    HA   MET  76           HA       MET  76   5.696 -20.349  -2.589
  614   1HB   MET  76          2HB       MET  76   4.265 -18.583  -0.661
  615   2HB   MET  76          1HB       MET  76   3.765 -18.502  -2.352
  616   1HG   MET  76          2HG       MET  76   2.952 -20.649  -2.361
  617   2HG   MET  76          1HG       MET  76   4.168 -21.225  -1.222
  618   1HE   MET  76          2HE       MET  76   1.805 -22.392  -1.094
  619   2HE   MET  76          1HE       MET  76   2.283 -22.566   0.592
  620   3HE   MET  76          3HE       MET  76   0.656 -22.007   0.183
  621    H    LEU  77           H        LEU  77   6.842 -19.592  -4.311
  622    HA   LEU  77           HA       LEU  77   8.128 -17.093  -4.552
  623   1HB   LEU  77          2HB       LEU  77   8.126 -19.260  -6.100
  624   2HB   LEU  77          1HB       LEU  77   6.944 -18.317  -7.009
  625    HG   LEU  77           HG       LEU  77   9.500 -17.011  -6.135
  626   1HD1  LEU  77          2HD1      LEU  77   9.842 -19.308  -7.371
  627   2HD1  LEU  77          1HD1      LEU  77   9.330 -18.400  -8.793
  628   3HD1  LEU  77          3HD1      LEU  77  10.757 -17.894  -7.891
  629   1HD2  LEU  77          3HD2      LEU  77   7.432 -16.671  -8.301
  630   2HD2  LEU  77          2HD2      LEU  77   8.004 -15.489  -7.124
  631   3HD2  LEU  77          1HD2      LEU  77   9.034 -15.954  -8.476
  632    H    SER  78           H        SER  78   4.859 -18.009  -5.679
  633    HA   SER  78           HA       SER  78   4.236 -15.380  -6.707
  634   1HB   SER  78          2HB       SER  78   3.066 -17.628  -7.238
  635   2HB   SER  78          1HB       SER  78   2.182 -17.367  -5.738
  636    HG   SER  78           HG       SER  78   1.304 -15.540  -6.571
  637    H    ASN  79           H        ASN  79   4.001 -16.904  -3.554
  638    HA   ASN  79           HA       ASN  79   2.694 -14.431  -2.496
  639   1HB   ASN  79          2HB       ASN  79   1.611 -16.769  -2.181
  640   2HB   ASN  79          1HB       ASN  79   2.894 -17.041  -1.002
  641   1HD2  ASN  79          2HD2      ASN  79  -0.261 -14.740   0.007
  642   2HD2  ASN  79          1HD2      ASN  79  -0.195 -15.596  -1.458
  643    H    ASN  80           H        ASN  80   5.493 -14.494  -3.060
  644    HA   ASN  80           HA       ASN  80   6.980 -15.069  -0.624
  645   1HB   ASN  80          2HB       ASN  80   8.834 -13.877  -1.813
  646   2HB   ASN  80          1HB       ASN  80   8.107 -15.152  -2.786
  647   1HD2  ASN  80          2HD2      ASN  80   8.113 -12.493  -5.221
  648   2HD2  ASN  80          1HD2      ASN  80   9.063 -13.769  -4.630
  649    H    ASP  81           H        ASP  81   8.536 -12.839  -0.164
  650    HA   ASP  81           HA       ASP  81   6.531 -10.972   0.984
  651   1HB   ASP  81          2HB       ASP  81   8.484 -12.126   2.303
  652   2HB   ASP  81          1HB       ASP  81   9.472 -10.852   1.584
  653    H    SER  82           H        SER  82   6.974 -10.713  -1.807
  654    HA   SER  82           HA       SER  82   7.774  -7.907  -1.893
  655   1HB   SER  82          2HB       SER  82   9.808  -9.749  -2.327
  656   2HB   SER  82          1HB       SER  82   9.294  -9.320  -3.955
  657    HG   SER  82           HG       SER  82  10.925  -7.936  -2.886
  658    H    ARG  83           H        ARG  83   5.450  -9.682  -2.538
  659    HA   ARG  83           HA       ARG  83   5.032  -8.690  -5.317
  660   1HB   ARG  83          2HB       ARG  83   4.934 -11.480  -4.346
  661   2HB   ARG  83          1HB       ARG  83   3.516 -10.985  -5.269
  662   1HG   ARG  83          2HG       ARG  83   6.328 -10.470  -6.253
  663   2HG   ARG  83          1HG       ARG  83   5.465 -11.963  -6.619
  664   1HD   ARG  83          2HD       ARG  83   3.542 -10.262  -7.329
  665   2HD   ARG  83          1HD       ARG  83   4.913  -9.176  -7.556
  666    HE   ARG  83           HE       ARG  83   5.018 -11.851  -8.849
  667   1HH1  ARG  83          2HH1      ARG  83   6.966 -10.697 -10.188
  668   2HH1  ARG  83          1HH1      ARG  83   6.305  -9.608 -11.362
  669   1HH2  ARG  83          1HH2      ARG  83   3.181  -9.463  -9.855
  670   2HH2  ARG  83          2HH2      ARG  83   4.158  -8.909 -11.174
  671    H    TRP  84           H        TRP  84   4.030  -7.003  -3.792
  672    HA   TRP  84           HA       TRP  84   1.535  -7.754  -2.457
  673   1HB   TRP  84          2HB       TRP  84   2.773  -5.057  -3.071
  674   2HB   TRP  84          1HB       TRP  84   1.291  -5.272  -2.149
  675    HD1  TRP  84           HD1      TRP  84   4.868  -6.767  -2.013
  676    HE1  TRP  84           HE1      TRP  84   5.589  -6.862   0.458
  677    HE3  TRP  84           HE3      TRP  84   0.676  -4.883   0.204
  678    HZ2  TRP  84           HZ2      TRP  84   4.526  -6.235   3.038
  679    HZ3  TRP  84           HZ3      TRP  84   0.553  -4.644   2.668
  680    HH2  TRP  84           HH2      TRP  84   2.473  -5.315   4.087
  681    H    GLU  85           H        GLU  85  -0.207  -8.239  -3.709
  682    HA   GLU  85           HA       GLU  85  -0.499  -6.943  -6.353
  683   1HB   GLU  85          2HB       GLU  85  -1.218  -9.476  -5.260
  684   2HB   GLU  85          1HB       GLU  85  -2.726  -8.654  -5.658
  685   1HG   GLU  85          2HG       GLU  85  -2.101  -8.385  -7.938
  686   2HG   GLU  85          1HG       GLU  85  -0.415  -8.780  -7.602
  687    H    PHE  86           H        PHE  86  -2.061  -5.425  -6.789
  688    HA   PHE  86           HA       PHE  86  -3.815  -4.590  -4.512
  689   1HB   PHE  86          2HB       PHE  86  -2.588  -2.916  -6.723
  690   2HB   PHE  86          1HB       PHE  86  -3.714  -2.306  -5.515
  691    HD1  PHE  86           HD1      PHE  86  -0.499  -4.256  -5.700
  692    HD2  PHE  86           HD2      PHE  86  -2.832  -1.322  -3.599
  693    HE1  PHE  86           HE1      PHE  86   1.382  -3.883  -4.133
  694    HE2  PHE  86           HE2      PHE  86  -0.942  -0.949  -2.036
  695    HZ   PHE  86           HZ       PHE  86   1.161  -2.230  -2.301
  696    H    GLU  87           H        GLU  87  -5.366  -6.187  -5.416
  697    HA   GLU  87           HA       GLU  87  -6.608  -5.322  -7.985
  698   1HB   GLU  87          2HB       GLU  87  -6.116  -7.898  -6.729
  699   2HB   GLU  87          1HB       GLU  87  -7.827  -7.714  -7.114
  700   1HG   GLU  87          2HG       GLU  87  -6.810  -6.777  -9.408
  701   2HG   GLU  87          1HG       GLU  87  -5.472  -7.826  -8.943
  702    H    ASN  88           H        ASN  88  -9.128  -5.982  -7.862
  703    HA   ASN  88           HA       ASN  88 -10.206  -4.653  -5.408
  704   1HB   ASN  88          2HB       ASN  88 -12.127  -4.542  -7.558
  705   2HB   ASN  88          1HB       ASN  88 -11.365  -3.210  -6.702
  706   1HD2  ASN  88          2HD2      ASN  88  -8.892  -2.667  -9.253
  707   2HD2  ASN  88          1HD2      ASN  88  -9.181  -2.490  -7.589
  708    H    GLU  89           H        GLU  89 -12.723  -5.270  -5.285
  709    HA   GLU  89           HA       GLU  89 -12.866  -8.241  -5.621
  710   1HB   GLU  89          2HB       GLU  89 -13.752  -6.433  -3.388
  711   2HB   GLU  89          1HB       GLU  89 -14.575  -7.971  -3.652
  712   1HG   GLU  89          2HG       GLU  89 -11.573  -7.688  -3.339
  713   2HG   GLU  89          1HG       GLU  89 -12.664  -8.126  -2.026
  714    H    ARG  90           H        ARG  90 -15.223  -5.634  -4.912
  715    HA   ARG  90           HA       ARG  90 -16.559  -5.798  -7.445
  716   1HB   ARG  90          2HB       ARG  90 -17.067  -8.020  -5.878
  717   2HB   ARG  90          1HB       ARG  90 -18.428  -6.969  -5.492
  718   1HG   ARG  90          2HG       ARG  90 -18.798  -6.665  -7.965
  719   2HG   ARG  90          1HG       ARG  90 -17.564  -7.894  -8.244
  720   1HD   ARG  90          2HD       ARG  90 -19.123  -9.187  -6.435
  721   2HD   ARG  90          1HD       ARG  90 -20.337  -8.193  -7.240
  722    HE   ARG  90           HE       ARG  90 -19.002  -9.276  -9.363
  723   1HH1  ARG  90          2HH1      ARG  90 -21.454 -10.213  -7.369
  724   2HH1  ARG  90          1HH1      ARG  90 -21.299 -11.917  -7.636
  725   1HH2  ARG  90          1HH2      ARG  90 -18.281 -11.645  -9.322
  726   2HH2  ARG  90          2HH2      ARG  90 -19.502 -12.727  -8.742
  727    H    HIS  91           H        HIS  91 -17.694  -3.919  -7.613
  728    HA   HIS  91           HA       HIS  91 -18.483  -2.545  -5.076
  729   1HB   HIS  91          2HB       HIS  91 -17.753  -1.413  -7.792
  730   2HB   HIS  91          1HB       HIS  91 -18.397  -0.447  -6.464
  731    HD1  HIS  91           HD1      HIS  91 -16.796  -1.992  -4.188
  732    HD2  HIS  91           HD2      HIS  91 -15.133  -0.362  -7.645
  733    HE1  HIS  91           HE1      HIS  91 -14.343  -1.604  -3.689
  734    H    ALA  92           HN       ALA  92 -20.636  -2.781  -4.737
  735    HA   ALA  92           HA       ALA  92 -22.946  -2.832  -5.142
  736   1HB   ALA  92          2HB       ALA  92 -21.852  -0.957  -7.171
  737   2HB   ALA  92          1HB       ALA  92 -23.472  -1.581  -7.486
  738   3HB   ALA  92          3HB       ALA  92 -23.137  -0.711  -5.988
   
  No H/Q in entry =         738
  Start of MODEL          26
 Raw file had  756 H/Q atoms
  Start of MODEL   26
    1   1H    ALA   1          1H        ALA   1 -14.477  15.650 -10.465
    2   2H    ALA   1          3H        ALA   1 -15.172  17.160 -10.130
    3   3H    ALA   1          2H        ALA   1 -13.710  16.718  -9.389
    4    HA   ALA   1           HA       ALA   1 -15.435  16.482  -7.784
    5   1HB   ALA   1          3HB       ALA   1 -16.754  14.921 -10.013
    6   2HB   ALA   1          2HB       ALA   1 -17.263  14.766  -8.332
    7   3HB   ALA   1          1HB       ALA   1 -17.383  16.324  -9.149
    8    H    ARG   2           H        ARG   2 -12.905  15.434  -8.092
    9    HA   ARG   2           HA       ARG   2 -13.277  12.568  -7.306
   10   1HB   ARG   2          2HB       ARG   2 -10.801  13.783  -8.566
   11   2HB   ARG   2          1HB       ARG   2 -11.096  12.076  -8.235
   12   1HG   ARG   2          2HG       ARG   2 -12.818  11.956  -9.892
   13   2HG   ARG   2          1HG       ARG   2 -12.862  13.711 -10.066
   14   1HD   ARG   2          2HD       ARG   2 -10.692  13.755 -11.083
   15   2HD   ARG   2          1HD       ARG   2 -10.396  12.067 -10.669
   16    HE   ARG   2           HE       ARG   2 -12.710  12.111 -12.284
   17   1HH1  ARG   2          1HH2      ARG   2  -9.529  11.327 -12.473
   18   2HH1  ARG   2          2HH2      ARG   2  -9.313  11.713 -14.149
   19   1HH2  ARG   2          2HH1      ARG   2 -12.377  13.307 -14.450
   20   2HH2  ARG   2          1HH1      ARG   2 -10.926  12.833 -15.268
   21    HA   PRO   3           HA       PRO   3 -11.234  13.728  -3.616
   22   1HB   PRO   3          2HB       PRO   3  -9.911  11.439  -2.879
   23   2HB   PRO   3          1HB       PRO   3 -11.664  11.645  -2.725
   24   1HG   PRO   3          2HG       PRO   3 -10.129  10.050  -4.713
   25   2HG   PRO   3          1HG       PRO   3 -11.776   9.808  -4.109
   26   1HD   PRO   3          2HD       PRO   3 -11.079  10.944  -6.594
   27   2HD   PRO   3          1HD       PRO   3 -12.678  11.012  -5.829
   28    H    ALA   4           H        ALA   4  -9.303  14.731  -3.054
   29    HA   ALA   4           HA       ALA   4  -7.221  15.032  -4.972
   30   1HB   ALA   4          3HB       ALA   4  -7.905  16.375  -2.733
   31   2HB   ALA   4          2HB       ALA   4  -6.539  15.451  -2.108
   32   3HB   ALA   4          1HB       ALA   4  -6.319  16.528  -3.488
   33    H    PHE   5           H        PHE   5  -7.660  12.685  -2.392
   34    HA   PHE   5           HA       PHE   5  -4.928  11.797  -2.246
   35   1HB   PHE   5          2HB       PHE   5  -6.732  11.257  -0.560
   36   2HB   PHE   5          1HB       PHE   5  -7.387  10.106  -1.728
   37    HD1  PHE   5           HD2      PHE   5  -4.388  10.962   0.291
   38    HD2  PHE   5           HD1      PHE   5  -6.337   7.992  -2.122
   39    HE1  PHE   5           HE2      PHE   5  -2.692   9.287   0.983
   40    HE2  PHE   5           HE1      PHE   5  -4.640   6.319  -1.434
   41    HZ   PHE   5           HZ       PHE   5  -2.818   6.967   0.118
   42    H    VAL   6           H        VAL   6  -7.693  10.072  -3.787
   43    HA   VAL   6           HA       VAL   6  -6.113   8.224  -5.231
   44    HB   VAL   6           HB       VAL   6  -8.740   9.410  -6.170
   45   1HG1  VAL   6          3HG1      VAL   6  -7.300   7.909  -7.717
   46   2HG1  VAL   6          2HG1      VAL   6  -7.688   6.607  -6.595
   47   3HG1  VAL   6          1HG1      VAL   6  -8.979   7.434  -7.464
   48   1HG2  VAL   6          2HG2      VAL   6  -8.115   7.164  -4.228
   49   2HG2  VAL   6          1HG2      VAL   6  -9.027   8.635  -3.893
   50   3HG2  VAL   6          3HG2      VAL   6  -9.702   7.405  -4.958
   51    H    ASN   7           H        ASN   7  -6.676  11.612  -5.846
   52    HA   ASN   7           HA       ASN   7  -5.985  11.625  -8.642
   53   1HB   ASN   7          2HB       ASN   7  -5.949  13.725  -6.469
   54   2HB   ASN   7          1HB       ASN   7  -5.354  14.077  -8.091
   55   1HD2  ASN   7          2HD2      ASN   7  -8.801  15.033  -8.525
   56   2HD2  ASN   7          1HD2      ASN   7  -7.288  15.645  -8.062
   57    H    LYS   8           H        LYS   8  -4.055  12.127  -5.665
   58    HA   LYS   8           HA       LYS   8  -1.569  12.467  -7.100
   59   1HB   LYS   8          2HB       LYS   8  -0.521  12.542  -4.988
   60   2HB   LYS   8          1HB       LYS   8  -2.139  13.138  -4.641
   61   1HG   LYS   8          2HG       LYS   8  -2.504  10.465  -4.249
   62   2HG   LYS   8          1HG       LYS   8  -0.818  10.625  -3.778
   63   1HD   LYS   8          2HD       LYS   8  -2.998  12.440  -2.720
   64   2HD   LYS   8          1HD       LYS   8  -2.493  10.962  -1.899
   65   1HE   LYS   8          2HE       LYS   8  -1.004  12.354  -0.870
   66   2HE   LYS   8          1HE       LYS   8  -0.072  12.118  -2.348
   67   1HZ   LYS   8          1HZ       LYS   8  -2.107  14.246  -2.166
   68   2HZ   LYS   8          3HZ       LYS   8  -0.539  14.496  -1.570
   69   3HZ   LYS   8          2HZ       LYS   8  -0.774  14.131  -3.213
   70    H    LEU   9           H        LEU   9  -3.397   9.721  -5.996
   71    HA   LEU   9           HA       LEU   9  -1.443   7.684  -5.965
   72   1HB   LEU   9          2HB       LEU   9  -3.784   7.419  -5.201
   73   2HB   LEU   9          1HB       LEU   9  -4.338   7.546  -6.866
   74    HG   LEU   9           HG       LEU   9  -2.718   5.547  -7.306
   75   1HD1  LEU   9          2HD1      LEU   9  -1.633   5.661  -5.082
   76   2HD1  LEU   9          1HD1      LEU   9  -3.181   5.301  -4.318
   77   3HD1  LEU   9          3HD1      LEU   9  -2.404   4.097  -5.346
   78   1HD2  LEU   9          3HD2      LEU   9  -5.427   5.614  -6.053
   79   2HD2  LEU   9          2HD2      LEU   9  -4.932   4.985  -7.623
   80   3HD2  LEU   9          1HD2      LEU   9  -4.631   4.043  -6.163
   81    H    TRP  10           H        TRP  10  -3.688   8.415  -8.650
   82    HA   TRP  10           HA       TRP  10  -2.419   6.769 -10.573
   83   1HB   TRP  10          2HB       TRP  10  -4.198   9.192 -10.786
   84   2HB   TRP  10          1HB       TRP  10  -3.586   8.375 -12.225
   85    HD1  TRP  10           HD1      TRP  10  -3.798   5.420 -11.579
   86    HE1  TRP  10           HE1      TRP  10  -6.060   4.270 -11.118
   87    HE3  TRP  10           HE3      TRP  10  -6.601   9.472 -10.251
   88    HZ2  TRP  10           HZ2      TRP  10  -8.703   4.969 -10.306
   89    HZ3  TRP  10           HZ3      TRP  10  -8.981   9.197  -9.633
   90    HH2  TRP  10           HH2      TRP  10 -10.038   6.957  -9.661
   91    H    SER  11           H        SER  11  -1.395   9.835  -9.324
   92    HA   SER  11           HA       SER  11   0.175  10.579 -11.673
   93   1HB   SER  11          2HB       SER  11  -0.703  12.286 -10.111
   94   2HB   SER  11          1HB       SER  11   0.295  11.614  -8.825
   95    HG   SER  11           HG       SER  11   1.178  12.729 -11.284
   96    H    MET  12           H        MET  12   0.844   9.088  -8.513
   97    HA   MET  12           HA       MET  12   3.714   8.979  -8.891
   98   1HB   MET  12          2HB       MET  12   2.001   7.232  -7.107
   99   2HB   MET  12          1HB       MET  12   3.725   7.549  -6.935
  100   1HG   MET  12          2HG       MET  12   3.382   9.556  -5.926
  101   2HG   MET  12          1HG       MET  12   2.070   9.987  -7.018
  102   1HE   MET  12          3HE       MET  12   3.028   7.195  -4.778
  103   2HE   MET  12          2HE       MET  12   1.838   7.106  -3.483
  104   3HE   MET  12          1HE       MET  12   1.471   6.401  -5.055
  105    H    VAL  13           H        VAL  13   1.095   6.600  -9.261
  106    HA   VAL  13           HA       VAL  13   2.788   4.414  -9.990
  107    HB   VAL  13           HB       VAL  13   0.058   4.555 -11.208
  108   1HG1  VAL  13          1HG1      VAL  13   1.940   2.610 -10.963
  109   2HG1  VAL  13          3HG1      VAL  13   0.988   2.308  -9.509
  110   3HG1  VAL  13          2HG1      VAL  13   0.212   2.279 -11.092
  111   1HG2  VAL  13          3HG2      VAL  13   0.616   4.906  -8.325
  112   2HG2  VAL  13          2HG2      VAL  13  -0.871   5.204  -9.225
  113   3HG2  VAL  13          1HG2      VAL  13  -0.481   3.572  -8.686
  114    H    ASN  14           H        ASN  14   1.125   6.857 -11.977
  115    HA   ASN  14           HA       ASN  14   2.386   5.753 -14.416
  116   1HB   ASN  14          2HB       ASN  14  -0.041   6.885 -14.060
  117   2HB   ASN  14          1HB       ASN  14   0.882   8.315 -14.523
  118   1HD2  ASN  14          2HD2      ASN  14  -0.379   6.547 -17.618
  119   2HD2  ASN  14          1HD2      ASN  14  -1.151   7.133 -16.224
  120    H    ASP  15           H        ASP  15   4.169   6.883 -12.395
  121    HA   ASP  15           HA       ASP  15   5.073   9.393 -13.719
  122   1HB   ASP  15          2HB       ASP  15   4.723   8.926 -11.067
  123   2HB   ASP  15          1HB       ASP  15   6.415   8.458 -11.240
  124    H    LYS  16           H        LYS  16   7.070   9.463 -14.714
  125    HA   LYS  16           HA       LYS  16   8.285   6.970 -15.506
  126   1HB   LYS  16          2HB       LYS  16   8.389   9.669 -16.340
  127   2HB   LYS  16          1HB       LYS  16  10.041   9.252 -15.890
  128   1HG   LYS  16          2HG       LYS  16   9.784   8.667 -18.208
  129   2HG   LYS  16          1HG       LYS  16   9.783   7.155 -17.299
  130   1HD   LYS  16          2HD       LYS  16   7.243   7.313 -17.267
  131   2HD   LYS  16          1HD       LYS  16   7.396   8.627 -18.434
  132   1HE   LYS  16          2HE       LYS  16   8.986   6.787 -19.618
  133   2HE   LYS  16          1HE       LYS  16   7.855   5.715 -18.794
  134   1HZ   LYS  16          3HZ       LYS  16   7.049   7.978 -20.537
  135   2HZ   LYS  16          2HZ       LYS  16   7.135   6.360 -21.047
  136   3HZ   LYS  16          1HZ       LYS  16   6.026   6.816 -19.843
  137    H    SER  17           H        SER  17   8.857   9.195 -12.873
  138    HA   SER  17           HA       SER  17  11.562   8.412 -12.288
  139   1HB   SER  17          2HB       SER  17   9.597  10.168 -11.176
  140   2HB   SER  17          1HB       SER  17  10.202   9.144  -9.877
  141    HG   SER  17           HG       SER  17  11.371  11.225 -10.753
  142    H    ASN  18           H        ASN  18   8.429   7.016 -11.530
  143    HA   ASN  18           HA       ASN  18   9.806   4.930  -9.881
  144   1HB   ASN  18          2HB       ASN  18   6.825   5.440  -9.955
  145   2HB   ASN  18          1HB       ASN  18   7.740   4.535  -8.753
  146   1HD2  ASN  18          2HD2      ASN  18   6.987   8.231  -7.804
  147   2HD2  ASN  18          1HD2      ASN  18   6.009   7.147  -8.668
  148    H    GLU  19           H        GLU  19   9.557   5.079 -12.888
  149    HA   GLU  19           HA       GLU  19   7.590   3.164 -13.748
  150   1HB   GLU  19          2HB       GLU  19   8.869   4.830 -15.206
  151   2HB   GLU  19          1HB       GLU  19  10.227   3.707 -15.127
  152   1HG   GLU  19          2HG       GLU  19   7.652   2.432 -15.805
  153   2HG   GLU  19          1HG       GLU  19   8.217   3.597 -17.003
  154    H    LYS  20           H        LYS  20  10.809   2.844 -12.392
  155    HA   LYS  20           HA       LYS  20  10.803  -0.071 -13.005
  156   1HB   LYS  20          2HB       LYS  20  12.882   1.957 -12.534
  157   2HB   LYS  20          1HB       LYS  20  13.164   0.453 -11.657
  158   1HG   LYS  20          2HG       LYS  20  13.322  -0.815 -13.604
  159   2HG   LYS  20          1HG       LYS  20  12.359   0.323 -14.544
  160   1HD   LYS  20          2HD       LYS  20  14.949   1.311 -13.443
  161   2HD   LYS  20          1HD       LYS  20  15.024   0.180 -14.794
  162   1HE   LYS  20          2HE       LYS  20  13.025   1.960 -15.561
  163   2HE   LYS  20          1HE       LYS  20  14.215   2.993 -14.772
  164   1HZ   LYS  20          2HZ       LYS  20  15.928   1.870 -16.159
  165   2HZ   LYS  20          1HZ       LYS  20  14.673   1.116 -17.020
  166   3HZ   LYS  20          3HZ       LYS  20  14.818   2.806 -17.041
  167    H    PHE  21           H        PHE  21   9.053   1.249 -10.954
  168    HA   PHE  21           HA       PHE  21   9.893  -0.458  -8.658
  169   1HB   PHE  21          2HB       PHE  21   9.099   2.457  -8.575
  170   2HB   PHE  21          1HB       PHE  21   8.947   1.414  -7.162
  171    HD1  PHE  21           HD1      PHE  21  11.254  -0.293  -7.191
  172    HD2  PHE  21           HD2      PHE  21  10.963   3.838  -8.334
  173    HE1  PHE  21           HE1      PHE  21  13.666   0.009  -6.710
  174    HE2  PHE  21           HE2      PHE  21  13.378   4.141  -7.853
  175    HZ   PHE  21           HZ       PHE  21  14.730   2.226  -7.041
  176    H    ILE  22           H        ILE  22   7.209   1.805  -9.311
  177    HA   ILE  22           HA       ILE  22   5.329  -0.471  -8.844
  178    HB   ILE  22           HB       ILE  22   5.151   1.344  -7.182
  179   1HG1  ILE  22          2HG1      ILE  22   2.788   1.458  -9.077
  180   2HG1  ILE  22          1HG1      ILE  22   3.112   0.088  -8.013
  181   1HG2  ILE  22          1HG2      ILE  22   5.514   3.005  -9.492
  182   2HG2  ILE  22          3HG2      ILE  22   3.975   3.423  -8.741
  183   3HG2  ILE  22          2HG2      ILE  22   5.462   3.478  -7.800
  184   1HD1  ILE  22          2HD1      ILE  22   3.165   1.767  -6.090
  185   2HD1  ILE  22          1HD1      ILE  22   2.500   2.944  -7.224
  186   3HD1  ILE  22          3HD1      ILE  22   1.584   1.490  -6.822
  187    H    HIS  23           H        HIS  23   3.917  -0.988 -10.490
  188    HA   HIS  23           HA       HIS  23   3.572   0.941 -12.725
  189   1HB   HIS  23          2HB       HIS  23   3.950  -0.931 -14.363
  190   2HB   HIS  23          1HB       HIS  23   5.401  -0.455 -13.482
  191    HD1  HIS  23           HD1      HIS  23   3.554  -3.384 -14.396
  192    HD2  HIS  23           HD2      HIS  23   5.694  -2.236 -11.008
  193    HE1  HIS  23           HE1      HIS  23   4.073  -5.511 -13.123
  194    H    TRP  24           H        TRP  24   1.929  -0.153 -14.363
  195    HA   TRP  24           HA       TRP  24  -0.418  -0.898 -12.737
  196   1HB   TRP  24          2HB       TRP  24  -0.097  -0.274 -15.688
  197   2HB   TRP  24          1HB       TRP  24  -1.636  -0.652 -14.915
  198    HD1  TRP  24           HD1      TRP  24   1.288   1.751 -14.043
  199    HE1  TRP  24           HE1      TRP  24   0.274   4.033 -13.407
  200    HE3  TRP  24           HE3      TRP  24  -3.674   0.712 -14.650
  201    HZ2  TRP  24           HZ2      TRP  24  -2.301   5.258 -13.186
  202    HZ3  TRP  24           HZ3      TRP  24  -5.384   2.453 -14.220
  203    HH2  TRP  24           HH2      TRP  24  -4.705   4.723 -13.489
  204    H    SER  25           H        SER  25  -1.850  -2.691 -13.660
  205    HA   SER  25           HA       SER  25  -0.156  -5.066 -14.138
  206   1HB   SER  25          2HB       SER  25  -2.122  -6.355 -13.601
  207   2HB   SER  25          1HB       SER  25  -2.026  -5.042 -12.431
  208    HG   SER  25           HG       SER  25  -3.995  -5.613 -14.106
  209    H    THR  26           H        THR  26  -1.587  -6.723 -15.652
  210    HA   THR  26           HA       THR  26  -2.058  -5.235 -18.207
  211    HB   THR  26           HB       THR  26  -1.103  -8.099 -17.980
  212    HG1  THR  26           HG1      THR  26   0.453  -6.745 -17.075
  213   1HG2  THR  26          2HG2      THR  26  -2.221  -7.141 -20.095
  214   2HG2  THR  26          1HG2      THR  26  -0.768  -6.156 -20.264
  215   3HG2  THR  26          3HG2      THR  26  -0.649  -7.916 -20.296
  216    H    SER  27           H        SER  27  -4.013  -5.587 -19.170
  217    HA   SER  27           HA       SER  27  -6.175  -6.419 -19.515
  218   1HB   SER  27          2HB       SER  27  -4.776  -8.527 -19.948
  219   2HB   SER  27          1HB       SER  27  -5.189  -9.009 -18.305
  220    HG   SER  27           HG       SER  27  -7.059  -9.591 -19.040
  221    H    GLY  28           H        GLY  28  -7.242  -5.152 -17.962
  222   1HA   GLY  28          2HA       GLY  28  -8.973  -5.720 -16.178
  223   2HA   GLY  28          1HA       GLY  28  -7.626  -6.422 -15.279
  224    H    GLU  29           H        GLU  29  -7.856  -4.964 -13.524
  225    HA   GLU  29           HA       GLU  29  -6.620  -2.326 -13.994
  226   1HB   GLU  29          2HB       GLU  29  -9.478  -2.706 -13.471
  227   2HB   GLU  29          1HB       GLU  29  -8.715  -1.678 -12.258
  228   1HG   GLU  29          2HG       GLU  29  -8.431  -1.276 -15.251
  229   2HG   GLU  29          1HG       GLU  29  -9.577  -0.400 -14.237
  230    H    SER  30           H        SER  30  -4.880  -3.006 -12.701
  231    HA   SER  30           HA       SER  30  -5.360  -2.933  -9.810
  232   1HB   SER  30          2HB       SER  30  -3.891  -5.165  -9.720
  233   2HB   SER  30          1HB       SER  30  -5.649  -5.221  -9.802
  234    HG   SER  30           HG       SER  30  -4.834  -6.545 -11.399
  235    H    ILE  31           H        ILE  31  -3.235  -2.989  -8.612
  236    HA   ILE  31           HA       ILE  31  -1.108  -1.722 -10.286
  237    HB   ILE  31           HB       ILE  31  -1.365  -1.682  -7.263
  238   1HG1  ILE  31          2HG1      ILE  31  -2.276   0.435  -9.245
  239   2HG1  ILE  31          1HG1      ILE  31  -3.366  -0.670  -8.408
  240   1HG2  ILE  31          2HG2      ILE  31   0.383  -0.378  -9.310
  241   2HG2  ILE  31          1HG2      ILE  31  -0.057   0.562  -7.885
  242   3HG2  ILE  31          3HG2      ILE  31   0.792  -0.971  -7.701
  243   1HD1  ILE  31          2HD1      ILE  31  -1.416   1.004  -6.842
  244   2HD1  ILE  31          1HD1      ILE  31  -2.949   1.692  -7.380
  245   3HD1  ILE  31          3HD1      ILE  31  -2.940   0.290  -6.311
  246    H    VAL  32           H        VAL  32   1.192  -2.248  -9.543
  247    HA   VAL  32           HA       VAL  32   1.405  -4.983  -8.379
  248    HB   VAL  32           HB       VAL  32   2.883  -4.099 -10.871
  249   1HG1  VAL  32          3HG1      VAL  32   4.026  -5.770  -9.410
  250   2HG1  VAL  32          2HG1      VAL  32   2.609  -6.812  -9.539
  251   3HG1  VAL  32          1HG1      VAL  32   3.569  -6.448 -10.973
  252   1HG2  VAL  32          1HG2      VAL  32   0.434  -5.843 -10.492
  253   2HG2  VAL  32          3HG2      VAL  32   0.567  -4.381 -11.469
  254   3HG2  VAL  32          2HG2      VAL  32   1.404  -5.851 -11.964
  255    H    VAL  33           H        VAL  33   2.953  -5.055  -6.839
  256    HA   VAL  33           HA       VAL  33   5.131  -3.004  -6.917
  257    HB   VAL  33           HB       VAL  33   3.724  -4.098  -4.459
  258   1HG1  VAL  33          2HG1      VAL  33   6.217  -3.479  -4.299
  259   2HG1  VAL  33          1HG1      VAL  33   5.709  -1.819  -4.610
  260   3HG1  VAL  33          3HG1      VAL  33   5.131  -2.665  -3.174
  261   1HG2  VAL  33          1HG2      VAL  33   2.380  -2.486  -5.826
  262   2HG2  VAL  33          3HG2      VAL  33   2.800  -1.853  -4.234
  263   3HG2  VAL  33          2HG2      VAL  33   3.686  -1.311  -5.660
  264    HA   PRO  34           HA       PRO  34   7.044  -7.135  -7.023
  265   1HB   PRO  34          2HB       PRO  34   9.509  -6.283  -7.874
  266   2HB   PRO  34          1HB       PRO  34   8.174  -6.670  -8.973
  267   1HG   PRO  34          2HG       PRO  34   9.246  -4.008  -8.182
  268   2HG   PRO  34          1HG       PRO  34   8.404  -4.486  -9.666
  269   1HD   PRO  34          2HD       PRO  34   7.260  -3.091  -7.497
  270   2HD   PRO  34          1HD       PRO  34   6.373  -3.872  -8.820
  271    H    ASN  35           H        ASN  35   8.428  -4.108  -5.766
  272    HA   ASN  35           HA       ASN  35   9.359  -5.626  -3.377
  273   1HB   ASN  35          2HB       ASN  35  10.996  -3.973  -5.245
  274   2HB   ASN  35          1HB       ASN  35  11.341  -3.831  -3.522
  275   1HD2  ASN  35          2HD2      ASN  35  12.538  -7.127  -5.513
  276   2HD2  ASN  35          1HD2      ASN  35  11.847  -5.794  -6.303
  277    H    ARG  36           H        ARG  36   7.718  -4.740  -2.089
  278    HA   ARG  36           HA       ARG  36   7.102  -1.902  -2.097
  279   1HB   ARG  36          2HB       ARG  36   5.545  -3.785  -1.375
  280   2HB   ARG  36          1HB       ARG  36   6.492  -3.876   0.111
  281   1HG   ARG  36          2HG       ARG  36   5.767  -1.814   0.867
  282   2HG   ARG  36          1HG       ARG  36   5.501  -1.194  -0.762
  283   1HD   ARG  36          2HD       ARG  36   3.337  -1.815  -0.710
  284   2HD   ARG  36          1HD       ARG  36   3.764  -3.463  -0.248
  285    HE   ARG  36           HE       ARG  36   3.084  -1.264   1.612
  286   1HH1  ARG  36          2HH1      ARG  36   5.411  -3.482   2.006
  287   2HH1  ARG  36          1HH1      ARG  36   4.611  -4.452   3.198
  288   1HH2  ARG  36          1HH2      ARG  36   1.524  -2.937   2.741
  289   2HH2  ARG  36          2HH2      ARG  36   2.409  -4.143   3.614
  290    H    GLU  37           H        GLU  37   9.754  -3.602  -0.854
  291    HA   GLU  37           HA       GLU  37  10.089  -1.991   1.570
  292   1HB   GLU  37          2HB       GLU  37  10.907  -4.352   1.373
  293   2HB   GLU  37          1HB       GLU  37  12.084  -3.803   0.181
  294   1HG   GLU  37          2HG       GLU  37  13.265  -2.515   1.762
  295   2HG   GLU  37          1HG       GLU  37  11.913  -2.504   2.896
  296    H    ARG  38           H        ARG  38  11.554  -2.132  -1.680
  297    HA   ARG  38           HA       ARG  38  13.306   0.152  -1.098
  298   1HB   ARG  38          2HB       ARG  38  12.900  -1.739  -3.349
  299   2HB   ARG  38          1HB       ARG  38  13.445  -0.122  -3.797
  300   1HG   ARG  38          2HG       ARG  38  15.346  -0.288  -2.291
  301   2HG   ARG  38          1HG       ARG  38  14.772  -1.838  -1.679
  302   1HD   ARG  38          2HD       ARG  38  14.888  -2.106  -4.497
  303   2HD   ARG  38          1HD       ARG  38  16.384  -1.306  -4.012
  304    HE   ARG  38           HE       ARG  38  15.757  -3.579  -2.315
  305   1HH1  ARG  38          1HH2      ARG  38  18.470  -2.595  -3.384
  306   2HH1  ARG  38          2HH2      ARG  38  18.913  -3.924  -4.402
  307   1HH2  ARG  38          2HH1      ARG  38  15.722  -5.282  -4.458
  308   2HH2  ARG  38          1HH1      ARG  38  17.354  -5.448  -5.010
  309    H    PHE  39           H        PHE  39  10.227  -0.448  -2.693
  310    HA   PHE  39           HA       PHE  39   9.944   2.017  -4.087
  311   1HB   PHE  39          2HB       PHE  39   8.355   0.319  -4.579
  312   2HB   PHE  39          1HB       PHE  39   7.976   0.056  -2.882
  313    HD1  PHE  39           HD1      PHE  39   7.528   2.396  -5.745
  314    HD2  PHE  39           HD2      PHE  39   6.327   1.377  -1.748
  315    HE1  PHE  39           HE1      PHE  39   5.631   3.987  -5.904
  316    HE2  PHE  39           HE2      PHE  39   4.432   2.968  -1.911
  317    HZ   PHE  39           HZ       PHE  39   4.083   4.271  -3.990
  318    H    VAL  40           H        VAL  40   8.436   1.187  -0.951
  319    HA   VAL  40           HA       VAL  40   7.651   3.784  -0.213
  320    HB   VAL  40           HB       VAL  40   8.617   1.610   1.670
  321   1HG1  VAL  40          1HG1      VAL  40   8.188   3.972   2.557
  322   2HG1  VAL  40          3HG1      VAL  40   6.498   3.722   2.121
  323   3HG1  VAL  40          2HG1      VAL  40   7.263   2.680   3.321
  324   1HG2  VAL  40          1HG2      VAL  40   5.919   2.088   0.368
  325   2HG2  VAL  40          3HG2      VAL  40   6.950   0.673   0.170
  326   3HG2  VAL  40          2HG2      VAL  40   6.179   0.988   1.718
  327    H    GLN  41           H        GLN  41  10.760   2.162   0.358
  328    HA   GLN  41           HA       GLN  41  11.976   4.036   2.057
  329   1HB   GLN  41          2HB       GLN  41  12.902   1.802   1.288
  330   2HB   GLN  41          1HB       GLN  41  13.419   2.619  -0.188
  331   1HG   GLN  41          2HG       GLN  41  14.689   4.253   1.201
  332   2HG   GLN  41          1HG       GLN  41  14.239   3.341   2.640
  333   1HE2  GLN  41          2HE2      GLN  41  17.472   2.174   0.668
  334   2HE2  GLN  41          1HE2      GLN  41  16.789   3.725   0.586
  335    H    GLU  42           H        GLU  42  11.823   4.131  -1.525
  336    HA   GLU  42           HA       GLU  42  12.737   6.976  -1.324
  337   1HB   GLU  42          2HB       GLU  42  13.371   5.065  -3.589
  338   2HB   GLU  42          1HB       GLU  42  13.968   6.713  -3.400
  339   1HG   GLU  42          2HG       GLU  42  15.278   6.125  -1.493
  340   2HG   GLU  42          1HG       GLU  42  14.471   4.565  -1.333
  341    H    VAL  43           H        VAL  43   9.970   6.145  -1.363
  342    HA   VAL  43           HA       VAL  43   9.130   7.646  -3.755
  343    HB   VAL  43           HB       VAL  43   8.014   4.864  -3.279
  344   1HG1  VAL  43          3HG1      VAL  43   7.385   7.139  -5.111
  345   2HG1  VAL  43          2HG1      VAL  43   7.260   5.504  -5.759
  346   3HG1  VAL  43          1HG1      VAL  43   6.299   5.971  -4.356
  347   1HG2  VAL  43          1HG2      VAL  43   9.972   5.918  -5.346
  348   2HG2  VAL  43          3HG2      VAL  43  10.281   4.664  -4.146
  349   3HG2  VAL  43          2HG2      VAL  43   9.157   4.359  -5.469
  350    H    LEU  44           H        LEU  44   8.130   5.940  -0.769
  351    HA   LEU  44           HA       LEU  44   5.524   7.174  -0.689
  352   1HB   LEU  44          2HB       LEU  44   6.207   5.098   0.583
  353   2HB   LEU  44          1HB       LEU  44   7.098   6.141   1.687
  354    HG   LEU  44           HG       LEU  44   4.975   7.416   2.102
  355   1HD1  LEU  44          3HD1      LEU  44   3.860   5.167   0.406
  356   2HD1  LEU  44          2HD1      LEU  44   2.862   6.171   1.458
  357   3HD1  LEU  44          1HD1      LEU  44   3.728   6.899   0.106
  358   1HD2  LEU  44          2HD2      LEU  44   5.883   5.193   3.316
  359   2HD2  LEU  44          1HD2      LEU  44   4.378   5.976   3.800
  360   3HD2  LEU  44          3HD2      LEU  44   4.338   4.571   2.735
  361    HA   PRO  45           HA       PRO  45   7.459  10.342   2.245
  362   1HB   PRO  45          2HB       PRO  45  10.182  10.651   2.319
  363   2HB   PRO  45          1HB       PRO  45   9.283   9.618   3.444
  364   1HG   PRO  45          2HG       PRO  45  10.980   8.840   1.126
  365   2HG   PRO  45          1HG       PRO  45  10.613   7.936   2.604
  366   1HD   PRO  45          2HD       PRO  45   9.437   7.505   0.083
  367   2HD   PRO  45          1HD       PRO  45   8.845   6.884   1.632
  368    H    LYS  46           H        LYS  46   8.529   9.698  -0.956
  369    HA   LYS  46           HA       LYS  46   9.664  12.287  -1.561
  370   1HB   LYS  46          2HB       LYS  46   9.210   9.807  -2.932
  371   2HB   LYS  46          1HB       LYS  46   8.539  11.108  -3.914
  372   1HG   LYS  46          2HG       LYS  46  10.883  10.791  -4.505
  373   2HG   LYS  46          1HG       LYS  46  10.699  12.342  -3.686
  374   1HD   LYS  46          2HD       LYS  46  11.158  10.664  -1.564
  375   2HD   LYS  46          1HD       LYS  46  12.144   9.915  -2.818
  376   1HE   LYS  46          2HE       LYS  46  12.251  12.886  -2.283
  377   2HE   LYS  46          1HE       LYS  46  13.266  11.746  -1.400
  378   1HZ   LYS  46          3HZ       LYS  46  13.169  11.650  -4.339
  379   2HZ   LYS  46          2HZ       LYS  46  14.138  12.810  -3.566
  380   3HZ   LYS  46          1HZ       LYS  46  14.407  11.156  -3.290
  381    H    TYR  47           H        TYR  47   6.407  11.101  -1.253
  382    HA   TYR  47           HA       TYR  47   5.404  13.641  -2.474
  383   1HB   TYR  47          2HB       TYR  47   4.073  10.932  -2.201
  384   2HB   TYR  47          1HB       TYR  47   3.240  12.386  -2.750
  385    HD1  TYR  47           HD2      TYR  47   5.878   9.926  -3.549
  386    HD2  TYR  47           HD1      TYR  47   3.683  13.351  -4.932
  387    HE1  TYR  47           HE2      TYR  47   6.749   9.560  -5.842
  388    HE2  TYR  47           HE1      TYR  47   4.556  12.984  -7.225
  389    HH   TYR  47           HH       TYR  47   5.459  10.794  -8.518
  390    H    PHE  48           H        PHE  48   4.674  11.270   0.118
  391    HA   PHE  48           HA       PHE  48   2.998  13.210   1.534
  392   1HB   PHE  48          2HB       PHE  48   4.055  10.506   2.422
  393   2HB   PHE  48          1HB       PHE  48   2.803  11.442   3.240
  394    HD1  PHE  48           HD1      PHE  48   0.572  11.704   2.263
  395    HD2  PHE  48           HD2      PHE  48   3.613   9.405   0.283
  396    HE1  PHE  48           HE1      PHE  48  -1.144  10.722   0.768
  397    HE2  PHE  48           HE2      PHE  48   1.895   8.422  -1.212
  398    HZ   PHE  48           HZ       PHE  48  -0.484   9.080  -0.968
  399    H    LYS  49           H        LYS  49   3.567  13.338   4.062
  400    HA   LYS  49           HA       LYS  49   6.408  14.260   4.208
  401   1HB   LYS  49          2HB       LYS  49   4.017  15.163   5.845
  402   2HB   LYS  49          1HB       LYS  49   5.653  15.809   5.967
  403   1HG   LYS  49          2HG       LYS  49   4.341  15.785   3.277
  404   2HG   LYS  49          1HG       LYS  49   3.822  16.996   4.448
  405   1HD   LYS  49          2HD       LYS  49   6.606  17.056   4.636
  406   2HD   LYS  49          1HD       LYS  49   6.308  16.848   2.910
  407   1HE   LYS  49          2HE       LYS  49   4.887  18.806   2.853
  408   2HE   LYS  49          1HE       LYS  49   4.944  18.955   4.607
  409   1HZ   LYS  49          1HZ       LYS  49   7.295  19.162   2.808
  410   2HZ   LYS  49          3HZ       LYS  49   6.474  20.481   3.487
  411   3HZ   LYS  49          2HZ       LYS  49   7.295  19.383   4.492
  412    H    HIS  50           H        HIS  50   3.946  13.354   6.650
  413    HA   HIS  50           HA       HIS  50   5.995  11.532   7.850
  414   1HB   HIS  50          2HB       HIS  50   3.924  13.307   9.154
  415   2HB   HIS  50          1HB       HIS  50   4.692  11.977  10.017
  416    HD1  HIS  50           HD1      HIS  50   5.524  15.248   8.307
  417    HD2  HIS  50           HD2      HIS  50   7.330  12.472  10.839
  418    HE1  HIS  50           HE1      HIS  50   7.697  16.294   9.083
  419    H    SER  51           H        SER  51   4.974   9.947   6.308
  420    HA   SER  51           HA       SER  51   2.694   8.602   7.655
  421   1HB   SER  51          2HB       SER  51   2.760   9.589   4.819
  422   2HB   SER  51          1HB       SER  51   1.862   8.126   5.206
  423    HG   SER  51           HG       SER  51   1.558  10.706   6.359
  424    H    ASN  52           H        ASN  52   2.803   6.355   7.499
  425    HA   ASN  52           HA       ASN  52   5.296   5.291   6.260
  426   1HB   ASN  52          2HB       ASN  52   3.560   4.438   8.550
  427   2HB   ASN  52          1HB       ASN  52   4.491   3.212   7.689
  428   1HD2  ASN  52          2HD2      ASN  52   6.737   6.236   9.347
  429   2HD2  ASN  52          1HD2      ASN  52   5.304   6.625   8.524
  430    H    PHE  53           H        PHE  53   4.955   2.896   5.498
  431    HA   PHE  53           HA       PHE  53   3.256   2.895   3.233
  432   1HB   PHE  53          2HB       PHE  53   3.639   0.397   3.240
  433   2HB   PHE  53          1HB       PHE  53   5.109   1.364   3.316
  434    HD1  PHE  53           HD2      PHE  53   2.708  -0.608   5.371
  435    HD2  PHE  53           HD1      PHE  53   6.580   1.239   5.174
  436    HE1  PHE  53           HE2      PHE  53   3.354  -1.736   7.483
  437    HE2  PHE  53           HE1      PHE  53   7.228   0.111   7.283
  438    HZ   PHE  53           HZ       PHE  53   5.615  -1.376   8.440
  439    H    ALA  54           H        ALA  54   2.659   1.856   6.539
  440    HA   ALA  54           HA       ALA  54   0.242   0.401   6.056
  441   1HB   ALA  54          3HB       ALA  54   1.636   0.482   8.209
  442   2HB   ALA  54          2HB       ALA  54   0.825   2.010   8.550
  443   3HB   ALA  54          1HB       ALA  54  -0.115   0.523   8.411
  444    H    SER  55           H        SER  55   0.873   3.838   6.702
  445    HA   SER  55           HA       SER  55  -1.881   4.635   6.874
  446   1HB   SER  55          2HB       SER  55   0.212   6.490   5.796
  447   2HB   SER  55          1HB       SER  55  -1.080   6.814   6.948
  448    HG   SER  55           HG       SER  55   0.899   6.710   8.023
  449    H    PHE  56           H        PHE  56   0.385   4.344   4.161
  450    HA   PHE  56           HA       PHE  56  -1.228   5.594   2.165
  451   1HB   PHE  56          2HB       PHE  56   1.168   4.991   1.861
  452   2HB   PHE  56          1HB       PHE  56   0.721   3.288   1.842
  453    HD1  PHE  56           HD2      PHE  56  -0.788   6.347   0.263
  454    HD2  PHE  56           HD1      PHE  56   0.899   2.440  -0.323
  455    HE1  PHE  56           HE2      PHE  56  -1.279   6.498  -2.163
  456    HE2  PHE  56           HE1      PHE  56   0.409   2.593  -2.748
  457    HZ   PHE  56           HZ       PHE  56  -0.680   4.622  -3.668
  458    H    VAL  57           H        VAL  57  -0.900   2.128   2.974
  459    HA   VAL  57           HA       VAL  57  -2.912   1.189   1.193
  460    HB   VAL  57           HB       VAL  57  -2.110  -0.004   3.864
  461   1HG1  VAL  57          2HG1      VAL  57  -3.703  -0.928   1.521
  462   2HG1  VAL  57          1HG1      VAL  57  -2.611  -2.100   2.258
  463   3HG1  VAL  57          3HG1      VAL  57  -3.872  -1.339   3.228
  464   1HG2  VAL  57          3HG2      VAL  57  -0.378   0.576   1.840
  465   2HG2  VAL  57          2HG2      VAL  57  -0.192  -0.811   2.912
  466   3HG2  VAL  57          1HG2      VAL  57  -0.942  -1.014   1.329
  467    H    ARG  58           H        ARG  58  -3.130   2.681   4.356
  468    HA   ARG  58           HA       ARG  58  -5.790   1.828   5.015
  469   1HB   ARG  58          2HB       ARG  58  -3.932   3.979   5.913
  470   2HB   ARG  58          1HB       ARG  58  -5.644   4.197   6.277
  471   1HG   ARG  58          2HG       ARG  58  -5.439   1.650   7.039
  472   2HG   ARG  58          1HG       ARG  58  -3.750   2.101   7.259
  473   1HD   ARG  58          2HD       ARG  58  -5.260   4.221   8.366
  474   2HD   ARG  58          1HD       ARG  58  -6.024   2.735   8.927
  475    HE   ARG  58           HE       ARG  58  -3.338   3.665   9.641
  476   1HH1  ARG  58          1HH2      ARG  58  -2.385   1.141   9.116
  477   2HH1  ARG  58          2HH2      ARG  58  -2.955   0.109  10.385
  478   1HH2  ARG  58          2HH1      ARG  58  -5.443   2.294  11.408
  479   2HH2  ARG  58          1HH1      ARG  58  -4.686   0.761  11.681
  480    H    GLN  59           H        GLN  59  -4.591   4.838   3.492
  481    HA   GLN  59           HA       GLN  59  -7.143   6.013   3.027
  482   1HB   GLN  59          2HB       GLN  59  -4.456   6.297   1.690
  483   2HB   GLN  59          1HB       GLN  59  -5.863   7.159   1.074
  484   1HG   GLN  59          2HG       GLN  59  -4.832   7.324   3.921
  485   2HG   GLN  59          1HG       GLN  59  -4.565   8.541   2.673
  486   1HE2  GLN  59          2HE2      GLN  59  -8.051   9.572   2.668
  487   2HE2  GLN  59          1HE2      GLN  59  -6.765   9.306   1.592
  488    H    LEU  60           H        LEU  60  -5.216   3.771   1.070
  489    HA   LEU  60           HA       LEU  60  -6.934   3.812  -1.231
  490   1HB   LEU  60          2HB       LEU  60  -4.900   1.836  -0.192
  491   2HB   LEU  60          1HB       LEU  60  -5.805   1.541  -1.670
  492    HG   LEU  60           HG       LEU  60  -4.349   4.144  -1.251
  493   1HD1  LEU  60          2HD1      LEU  60  -3.241   1.461  -1.995
  494   2HD1  LEU  60          1HD1      LEU  60  -2.600   2.892  -2.799
  495   3HD1  LEU  60          3HD1      LEU  60  -2.504   2.750  -1.043
  496   1HD2  LEU  60          3HD2      LEU  60  -6.105   3.342  -3.170
  497   2HD2  LEU  60          2HD2      LEU  60  -4.814   4.507  -3.463
  498   3HD2  LEU  60          1HD2      LEU  60  -4.586   2.812  -3.893
  499    H    ASN  61           H        ASN  61  -7.046   2.061   1.812
  500    HA   ASN  61           HA       ASN  61  -8.995   0.095   0.925
  501   1HB   ASN  61          2HB       ASN  61  -7.381   0.010   2.979
  502   2HB   ASN  61          1HB       ASN  61  -8.652   0.920   3.798
  503   1HD2  ASN  61          2HD2      ASN  61  -9.512  -2.909   2.546
  504   2HD2  ASN  61          1HD2      ASN  61  -8.330  -2.018   1.716
  505    H    MET  62           H        MET  62  -9.176   3.322   2.331
  506    HA   MET  62           HA       MET  62 -12.035   3.113   2.915
  507   1HB   MET  62          2HB       MET  62 -10.196   4.663   4.001
  508   2HB   MET  62          1HB       MET  62 -10.616   5.742   2.669
  509   1HG   MET  62          2HG       MET  62 -12.055   6.347   4.483
  510   2HG   MET  62          1HG       MET  62 -13.053   5.429   3.355
  511   1HE   MET  62          3HE       MET  62 -11.378   5.987   6.342
  512   2HE   MET  62          2HE       MET  62 -12.703   5.455   7.376
  513   3HE   MET  62          1HE       MET  62 -11.225   4.499   7.287
  514    H    TYR  63           H        TYR  63 -10.107   4.042   0.156
  515    HA   TYR  63           HA       TYR  63 -12.328   5.499  -1.112
  516   1HB   TYR  63          2HB       TYR  63  -9.520   4.788  -1.963
  517   2HB   TYR  63          1HB       TYR  63 -10.680   5.483  -3.097
  518    HD1  TYR  63           HD2      TYR  63 -12.115   7.515  -1.901
  519    HD2  TYR  63           HD1      TYR  63  -8.088   6.333  -0.977
  520    HE1  TYR  63           HE2      TYR  63 -11.664   9.772  -0.978
  521    HE2  TYR  63           HE1      TYR  63  -7.640   8.591  -0.052
  522    HH   TYR  63           HH       TYR  63  -9.523  10.550   1.008
  523    H    GLY  64           H        GLY  64 -10.628   2.392  -1.563
  524   1HA   GLY  64          2HA       GLY  64 -12.540   0.639  -2.137
  525   2HA   GLY  64          1HA       GLY  64 -12.639   1.613  -3.604
  526    H    TRP  65           H        TRP  65  -9.949   0.269  -1.647
  527    HA   TRP  65           HA       TRP  65  -8.985  -1.167  -4.066
  528   1HB   TRP  65          2HB       TRP  65  -7.453   0.897  -2.481
  529   2HB   TRP  65          1HB       TRP  65  -6.621  -0.362  -3.388
  530    HD1  TRP  65           HD1      TRP  65  -8.344   2.929  -3.780
  531    HE1  TRP  65           HE1      TRP  65  -8.380   3.610  -6.266
  532    HE3  TRP  65           HE3      TRP  65  -6.832  -1.454  -5.928
  533    HZ2  TRP  65           HZ2      TRP  65  -7.845   2.456  -8.822
  534    HZ3  TRP  65           HZ3      TRP  65  -6.603  -1.632  -8.389
  535    HH2  TRP  65           HH2      TRP  65  -7.107   0.316  -9.838
  536    H    HIS  66           H        HIS  66  -7.839  -3.076  -3.548
  537    HA   HIS  66           HA       HIS  66  -7.192  -3.618  -0.708
  538   1HB   HIS  66          2HB       HIS  66  -9.035  -5.419  -2.309
  539   2HB   HIS  66          1HB       HIS  66  -8.474  -5.704  -0.663
  540    HD1  HIS  66           HD1      HIS  66 -10.612  -3.281  -2.651
  541    HD2  HIS  66           HD2      HIS  66  -9.964  -4.401   1.311
  542    HE1  HIS  66           HE1      HIS  66 -12.393  -2.117  -1.276
  543    H    LYS  67           H        LYS  67  -6.298  -6.056  -0.674
  544    HA   LYS  67           HA       LYS  67  -4.622  -6.439  -3.124
  545   1HB   LYS  67          2HB       LYS  67  -2.806  -7.236  -1.598
  546   2HB   LYS  67          1HB       LYS  67  -3.208  -5.537  -1.347
  547   1HG   LYS  67          2HG       LYS  67  -4.751  -7.489   0.274
  548   2HG   LYS  67          1HG       LYS  67  -3.042  -7.329   0.679
  549   1HD   LYS  67          2HD       LYS  67  -3.257  -4.992   1.106
  550   2HD   LYS  67          1HD       LYS  67  -4.853  -4.928   0.356
  551   1HE   LYS  67          2HE       LYS  67  -5.521  -5.040   2.554
  552   2HE   LYS  67          1HE       LYS  67  -5.365  -6.769   2.243
  553   1HZ   LYS  67          3HZ       LYS  67  -2.915  -6.335   2.944
  554   2HZ   LYS  67          2HZ       LYS  67  -3.571  -4.973   3.719
  555   3HZ   LYS  67          1HZ       LYS  67  -4.115  -6.530   4.127
  556    H    VAL  68           H        VAL  68  -7.047  -7.691  -2.829
  557    HA   VAL  68           HA       VAL  68  -8.148  -9.734  -2.629
  558    HB   VAL  68           HB       VAL  68  -6.674 -10.043  -4.621
  559   1HG1  VAL  68          3HG1      VAL  68  -4.850 -11.274  -2.546
  560   2HG1  VAL  68          2HG1      VAL  68  -4.743 -11.686  -4.257
  561   3HG1  VAL  68          1HG1      VAL  68  -4.465 -10.026  -3.731
  562   1HG2  VAL  68          2HG2      VAL  68  -8.280 -11.823  -3.392
  563   2HG2  VAL  68          1HG2      VAL  68  -7.413 -12.196  -4.882
  564   3HG2  VAL  68          3HG2      VAL  68  -6.762 -12.719  -3.328
  565    H    GLN  69           H        GLN  69  -6.726  -8.865  -0.181
  566    HA   GLN  69           HA       GLN  69  -6.229  -9.706   1.945
  567   1HB   GLN  69          2HB       GLN  69  -7.885 -11.981   0.827
  568   2HB   GLN  69          1HB       GLN  69  -7.414 -11.842   2.520
  569   1HG   GLN  69          2HG       GLN  69  -8.441  -9.362   2.111
  570   2HG   GLN  69          1HG       GLN  69  -9.426 -10.296   0.984
  571   1HE2  GLN  69          2HE2      GLN  69 -10.573 -10.381   4.724
  572   2HE2  GLN  69          1HE2      GLN  69  -9.788  -9.105   3.925
  573    H    ASP  70           H        ASP  70  -4.046 -10.084   2.108
  574    HA   ASP  70           HA       ASP  70  -2.657 -12.185   0.687
  575   1HB   ASP  70          2HB       ASP  70  -1.991 -10.297   2.921
  576   2HB   ASP  70          1HB       ASP  70  -0.939 -11.687   2.652
  577    H    VAL  71           H        VAL  71  -3.561 -14.221   1.104
  578    HA   VAL  71           HA       VAL  71  -3.902 -15.031   3.947
  579    HB   VAL  71           HB       VAL  71  -4.775 -16.437   1.402
  580   1HG1  VAL  71          1HG1      VAL  71  -5.039 -17.038   4.332
  581   2HG1  VAL  71          3HG1      VAL  71  -6.344 -17.505   3.242
  582   3HG1  VAL  71          2HG1      VAL  71  -4.718 -18.138   2.992
  583   1HG2  VAL  71          1HG2      VAL  71  -5.886 -14.223   1.877
  584   2HG2  VAL  71          3HG2      VAL  71  -6.990 -15.596   1.897
  585   3HG2  VAL  71          2HG2      VAL  71  -6.434 -14.889   3.414
  586    H    LYS  72           H        LYS  72  -3.057 -17.077   4.655
  587    HA   LYS  72           HA       LYS  72  -0.695 -18.050   3.103
  588   1HB   LYS  72          2HB       LYS  72  -0.454 -16.707   5.426
  589   2HB   LYS  72          1HB       LYS  72  -0.768 -18.309   6.085
  590   1HG   LYS  72          2HG       LYS  72   1.655 -17.905   5.841
  591   2HG   LYS  72          1HG       LYS  72   1.136 -19.217   4.794
  592   1HD   LYS  72          2HD       LYS  72   1.230 -17.844   2.852
  593   2HD   LYS  72          1HD       LYS  72   1.316 -16.366   3.811
  594   1HE   LYS  72          2HE       LYS  72   3.547 -16.791   4.474
  595   2HE   LYS  72          1HE       LYS  72   3.448 -18.492   4.016
  596   1HZ   LYS  72          1HZ       LYS  72   3.062 -17.618   1.679
  597   2HZ   LYS  72          3HZ       LYS  72   3.618 -16.123   2.256
  598   3HZ   LYS  72          2HZ       LYS  72   4.637 -17.482   2.304
  599    H    SER  73           H        SER  73  -0.136 -20.404   4.028
  600    HA   SER  73           HA       SER  73  -2.198 -22.175   3.380
  601   1HB   SER  73          2HB       SER  73  -0.185 -22.924   5.483
  602   2HB   SER  73          1HB       SER  73  -0.817 -23.897   4.159
  603    HG   SER  73           HG       SER  73   1.373 -22.400   4.213
  604    H    GLY  74           H        GLY  74  -1.159 -21.388   6.726
  605   1HA   GLY  74          2HA       GLY  74  -3.734 -22.467   7.732
  606   2HA   GLY  74          1HA       GLY  74  -2.351 -22.007   8.727
  607    H    SER  75           H        SER  75  -1.884 -19.664   8.893
  608    HA   SER  75           HA       SER  75  -3.842 -17.722   8.023
  609   1HB   SER  75          2HB       SER  75  -3.933 -18.753  10.857
  610   2HB   SER  75          1HB       SER  75  -4.449 -17.112  10.475
  611    HG   SER  75           HG       SER  75  -6.120 -17.881   9.388
  612    H    MET  76           H        MET  76  -2.563 -16.902  11.138
  613    HA   MET  76           HA       MET  76  -0.892 -15.365  11.716
  614   1HB   MET  76          2HB       MET  76   0.310 -17.518  10.153
  615   2HB   MET  76          1HB       MET  76   1.233 -16.022  10.011
  616   1HG   MET  76          2HG       MET  76   0.327 -17.161  12.667
  617   2HG   MET  76          1HG       MET  76   1.904 -17.503  11.955
  618   1HE   MET  76          3HE       MET  76   0.906 -16.431  14.553
  619   2HE   MET  76          2HE       MET  76   1.806 -14.998  15.042
  620   3HE   MET  76          1HE       MET  76   0.162 -14.831  14.429
  621    H    LEU  77           H        LEU  77  -1.887 -13.454  10.892
  622    HA   LEU  77           HA       LEU  77  -1.551 -12.668   8.102
  623   1HB   LEU  77          2HB       LEU  77  -3.475 -11.945   9.579
  624   2HB   LEU  77          1HB       LEU  77  -2.336 -10.917  10.449
  625    HG   LEU  77           HG       LEU  77  -1.732 -10.047   8.036
  626   1HD1  LEU  77          1HD1      LEU  77  -4.472 -11.287   7.711
  627   2HD1  LEU  77          3HD1      LEU  77  -3.879 -10.005   6.655
  628   3HD1  LEU  77          2HD1      LEU  77  -3.040 -11.555   6.718
  629   1HD2  LEU  77          1HD2      LEU  77  -2.974  -8.913  10.043
  630   2HD2  LEU  77          3HD2      LEU  77  -3.118  -8.194   8.440
  631   3HD2  LEU  77          2HD2      LEU  77  -4.425  -9.192   9.080
  632    H    SER  78           H        SER  78   0.652 -12.497   7.618
  633    HA   SER  78           HA       SER  78   2.007 -10.091   8.468
  634   1HB   SER  78          2HB       SER  78   4.008 -11.593   9.377
  635   2HB   SER  78          1HB       SER  78   2.713 -11.056  10.445
  636    HG   SER  78           HG       SER  78   3.404 -13.549   9.718
  637    H    ASN  79           H        ASN  79   2.588 -13.398   7.224
  638    HA   ASN  79           HA       ASN  79   3.714 -14.121   5.297
  639   1HB   ASN  79          2HB       ASN  79   3.377 -11.263   4.339
  640   2HB   ASN  79          1HB       ASN  79   3.623 -12.697   3.342
  641   1HD2  ASN  79          2HD2      ASN  79   0.232 -13.910   4.439
  642   2HD2  ASN  79          1HD2      ASN  79   1.813 -14.481   4.673
  643    H    ASN  80           H        ASN  80   5.589 -12.764   3.662
  644    HA   ASN  80           HA       ASN  80   7.604 -11.708   5.582
  645   1HB   ASN  80          2HB       ASN  80   7.723 -14.304   4.882
  646   2HB   ASN  80          1HB       ASN  80   8.579 -13.608   3.506
  647   1HD2  ASN  80          2HD2      ASN  80  11.339 -14.050   5.795
  648   2HD2  ASN  80          1HD2      ASN  80  10.454 -14.871   4.602
  649    H    ASP  81           H        ASP  81   7.450 -12.620   2.115
  650    HA   ASP  81           HA       ASP  81   8.812 -10.095   1.417
  651   1HB   ASP  81          2HB       ASP  81   7.912 -12.460  -0.250
  652   2HB   ASP  81          1HB       ASP  81   8.737 -11.048  -0.909
  653    H    SER  82           H        SER  82   7.845  -9.039  -0.711
  654    HA   SER  82           HA       SER  82   4.975  -8.507  -0.122
  655   1HB   SER  82          2HB       SER  82   5.564  -6.501  -1.765
  656   2HB   SER  82          1HB       SER  82   5.990  -6.433  -0.057
  657    HG   SER  82           HG       SER  82   7.990  -6.359  -0.665
  658    H    ARG  83           H        ARG  83   6.406  -7.749  -3.269
  659    HA   ARG  83           HA       ARG  83   5.752  -8.427  -5.415
  660   1HB   ARG  83          2HB       ARG  83   6.128 -10.896  -3.808
  661   2HB   ARG  83          1HB       ARG  83   5.259 -11.090  -5.329
  662   1HG   ARG  83          2HG       ARG  83   7.543  -9.369  -5.751
  663   2HG   ARG  83          1HG       ARG  83   8.067 -10.851  -4.953
  664   1HD   ARG  83          2HD       ARG  83   7.012 -12.211  -6.676
  665   2HD   ARG  83          1HD       ARG  83   6.333 -10.773  -7.438
  666    HE   ARG  83           HE       ARG  83   9.092 -10.333  -7.379
  667   1HH1  ARG  83          2HH1      ARG  83   8.096 -13.429  -7.861
  668   2HH1  ARG  83          1HH1      ARG  83   8.566 -13.544  -9.524
  669   1HH2  ARG  83          1HH2      ARG  83   9.192 -10.148  -9.856
  670   2HH2  ARG  83          2HH2      ARG  83   9.186 -11.685 -10.654
  671    H    TRP  84           H        TRP  84   3.600  -7.649  -3.434
  672    HA   TRP  84           HA       TRP  84   1.336  -9.320  -4.303
  673   1HB   TRP  84          2HB       TRP  84   0.005  -8.103  -2.682
  674   2HB   TRP  84          1HB       TRP  84   1.517  -8.582  -1.927
  675    HD1  TRP  84           HD1      TRP  84   2.754  -5.937  -3.872
  676    HE1  TRP  84           HE1      TRP  84   2.697  -3.652  -2.664
  677    HE3  TRP  84           HE3      TRP  84  -0.540  -7.010  -0.130
  678    HZ2  TRP  84           HZ2      TRP  84   1.415  -2.449  -0.405
  679    HZ3  TRP  84           HZ3      TRP  84  -1.165  -5.283   1.533
  680    HH2  TRP  84           HH2      TRP  84  -0.193  -3.007   1.402
  681    H    GLU  85           H        GLU  85  -0.724  -7.460  -4.401
  682    HA   GLU  85           HA       GLU  85  -0.031  -5.429  -6.426
  683   1HB   GLU  85          2HB       GLU  85  -1.782  -6.318  -7.996
  684   2HB   GLU  85          1HB       GLU  85  -0.389  -7.387  -7.831
  685   1HG   GLU  85          2HG       GLU  85  -1.750  -8.554  -5.966
  686   2HG   GLU  85          1HG       GLU  85  -3.141  -7.692  -6.626
  687    H    PHE  86           H        PHE  86  -2.442  -4.533  -7.183
  688    HA   PHE  86           HA       PHE  86  -4.066  -4.305  -4.689
  689   1HB   PHE  86          2HB       PHE  86  -3.091  -2.097  -6.504
  690   2HB   PHE  86          1HB       PHE  86  -4.509  -1.885  -5.488
  691    HD1  PHE  86           HD1      PHE  86  -3.812  -3.308  -3.038
  692    HD2  PHE  86           HD2      PHE  86  -1.353  -0.823  -5.519
  693    HE1  PHE  86           HE1      PHE  86  -2.367  -2.804  -1.090
  694    HE2  PHE  86           HE2      PHE  86   0.099  -0.320  -3.575
  695    HZ   PHE  86           HZ       PHE  86  -0.409  -1.309  -1.359
  696    H    GLU  87           H        GLU  87  -5.769  -5.580  -5.355
  697    HA   GLU  87           HA       GLU  87  -7.031  -4.938  -7.980
  698   1HB   GLU  87          2HB       GLU  87  -6.365  -7.381  -6.887
  699   2HB   GLU  87          1HB       GLU  87  -8.070  -7.245  -6.458
  700   1HG   GLU  87          2HG       GLU  87  -8.261  -6.442  -8.999
  701   2HG   GLU  87          1HG       GLU  87  -6.799  -7.417  -9.156
  702    H    ASN  88           H        ASN  88  -9.291  -4.483  -8.044
  703    HA   ASN  88           HA       ASN  88 -10.493  -3.777  -5.392
  704   1HB   ASN  88          2HB       ASN  88 -11.751  -2.006  -6.651
  705   2HB   ASN  88          1HB       ASN  88 -10.005  -1.752  -6.650
  706   1HD2  ASN  88          2HD2      ASN  88 -11.936  -2.453 -10.158
  707   2HD2  ASN  88          1HD2      ASN  88 -12.775  -2.456  -8.683
  708    H    GLU  89           H        GLU  89 -13.022  -3.615  -5.678
  709    HA   GLU  89           HA       GLU  89 -14.042  -5.654  -7.577
  710   1HB   GLU  89          2HB       GLU  89 -15.354  -6.706  -5.669
  711   2HB   GLU  89          1HB       GLU  89 -13.619  -7.018  -5.648
  712   1HG   GLU  89          2HG       GLU  89 -13.248  -5.601  -3.838
  713   2HG   GLU  89          1HG       GLU  89 -14.687  -4.634  -4.166
  714    H    ARG  90           H        ARG  90 -14.907  -3.584  -8.468
  715    HA   ARG  90           HA       ARG  90 -17.440  -2.833  -7.068
  716   1HB   ARG  90          2HB       ARG  90 -15.383  -1.113  -7.178
  717   2HB   ARG  90          1HB       ARG  90 -16.078  -0.793  -8.767
  718   1HG   ARG  90          2HG       ARG  90 -18.277  -0.914  -6.995
  719   2HG   ARG  90          1HG       ARG  90 -17.044   0.018  -6.151
  720   1HD   ARG  90          2HD       ARG  90 -17.278   0.766  -8.975
  721   2HD   ARG  90          1HD       ARG  90 -18.776   1.006  -8.077
  722    HE   ARG  90           HE       ARG  90 -17.342   2.340  -6.432
  723   1HH1  ARG  90          2HH1      ARG  90 -14.820   2.769  -6.785
  724   2HH1  ARG  90          1HH1      ARG  90 -14.554   3.768  -8.175
  725   1HH2  ARG  90          1HH2      ARG  90 -17.715   3.219  -9.500
  726   2HH2  ARG  90          2HH2      ARG  90 -16.195   4.023  -9.715
  727    H    HIS  91           H        HIS  91 -16.917  -4.781  -9.204
  728    HA   HIS  91           HA       HIS  91 -18.248  -3.476 -11.535
  729   1HB   HIS  91          2HB       HIS  91 -17.599  -5.593 -12.739
  730   2HB   HIS  91          1HB       HIS  91 -16.222  -4.666 -12.144
  731    HD1  HIS  91           HD1      HIS  91 -18.285  -7.734 -11.320
  732    HD2  HIS  91           HD2      HIS  91 -14.663  -5.987 -10.217
  733    HE1  HIS  91           HE1      HIS  91 -17.093  -9.422  -9.858
  734    H    ALA  92           HN       ALA  92 -20.181  -4.408 -12.384
  735    HA   ALA  92           HA       ALA  92 -21.419  -6.629 -10.860
  736   1HB   ALA  92          2HB       ALA  92 -22.596  -3.852 -11.130
  737   2HB   ALA  92          1HB       ALA  92 -23.563  -5.267 -10.710
  738   3HB   ALA  92          3HB       ALA  92 -22.261  -4.739  -9.643
   
  No H/Q in entry =         738
  Start of MODEL          27
 Raw file had  756 H/Q atoms
  Start of MODEL   27
    1   1H    ALA   1          3H        ALA   1 -16.474  11.399  -7.293
    2   2H    ALA   1          2H        ALA   1 -17.989  11.465  -6.525
    3   3H    ALA   1          1H        ALA   1 -17.403  12.817  -7.372
    4    HA   ALA   1           HA       ALA   1 -17.134  13.218  -5.043
    5   1HB   ALA   1          3HB       ALA   1 -16.007  10.444  -5.169
    6   2HB   ALA   1          2HB       ALA   1 -15.379  11.556  -3.953
    7   3HB   ALA   1          1HB       ALA   1 -17.095  11.153  -3.977
    8    H    ARG   2           H        ARG   2 -14.513  11.570  -6.849
    9    HA   ARG   2           HA       ARG   2 -12.396  12.335  -7.496
   10   1HB   ARG   2          2HB       ARG   2 -13.869  14.983  -7.381
   11   2HB   ARG   2          1HB       ARG   2 -12.257  14.774  -8.064
   12   1HG   ARG   2          2HG       ARG   2 -13.044  13.425  -9.828
   13   2HG   ARG   2          1HG       ARG   2 -14.559  13.067  -8.997
   14   1HD   ARG   2          2HD       ARG   2 -15.116  14.659 -10.684
   15   2HD   ARG   2          1HD       ARG   2 -15.082  15.563  -9.171
   16    HE   ARG   2           HE       ARG   2 -12.498  15.636 -10.444
   17   1HH1  ARG   2          1HH2      ARG   2 -14.913  16.301 -12.393
   18   2HH1  ARG   2          2HH2      ARG   2 -14.819  18.030 -12.357
   19   1HH2  ARG   2          2HH1      ARG   2 -12.705  18.123  -9.610
   20   2HH2  ARG   2          1HH1      ARG   2 -13.568  19.061 -10.782
   21    HA   PRO   3           HA       PRO   3 -11.572  13.684  -3.153
   22   1HB   PRO   3          2HB       PRO   3 -10.260  11.444  -2.267
   23   2HB   PRO   3          1HB       PRO   3 -12.006  11.694  -2.091
   24   1HG   PRO   3          2HG       PRO   3 -10.543   9.912  -3.975
   25   2HG   PRO   3          1HG       PRO   3 -12.184   9.756  -3.323
   26   1HD   PRO   3          2HD       PRO   3 -11.514  10.678  -5.906
   27   2HD   PRO   3          1HD       PRO   3 -13.096  10.832  -5.120
   28    H    ALA   4           H        ALA   4  -9.562  14.491  -2.474
   29    HA   ALA   4           HA       ALA   4  -7.531  14.837  -4.448
   30   1HB   ALA   4          1HB       ALA   4  -7.464  15.250  -1.448
   31   2HB   ALA   4          3HB       ALA   4  -6.194  15.783  -2.548
   32   3HB   ALA   4          2HB       ALA   4  -7.816  16.466  -2.675
   33    H    PHE   5           H        PHE   5  -8.095  12.218  -2.253
   34    HA   PHE   5           HA       PHE   5  -5.344  11.350  -2.000
   35   1HB   PHE   5          2HB       PHE   5  -7.230  10.659  -0.469
   36   2HB   PHE   5          1HB       PHE   5  -7.829   9.636  -1.777
   37    HD1  PHE   5           HD2      PHE   5  -4.900  10.270   0.431
   38    HD2  PHE   5           HD1      PHE   5  -6.814   7.541  -2.278
   39    HE1  PHE   5           HE2      PHE   5  -3.269   8.508   1.055
   40    HE2  PHE   5           HE1      PHE   5  -5.184   5.780  -1.655
   41    HZ   PHE   5           HZ       PHE   5  -3.412   6.263   0.010
   42    H    VAL   6           H        VAL   6  -8.038  10.398  -4.145
   43    HA   VAL   6           HA       VAL   6  -6.456   8.436  -5.577
   44    HB   VAL   6           HB       VAL   6  -8.968   9.881  -6.477
   45   1HG1  VAL   6          3HG1      VAL   6  -7.238   7.945  -7.749
   46   2HG1  VAL   6          2HG1      VAL   6  -8.815   7.216  -7.451
   47   3HG1  VAL   6          1HG1      VAL   6  -8.696   8.707  -8.383
   48   1HG2  VAL   6          3HG2      VAL   6  -9.038   8.625  -4.238
   49   2HG2  VAL   6          2HG2      VAL   6 -10.215   8.124  -5.451
   50   3HG2  VAL   6          1HG2      VAL   6  -8.767   7.157  -5.177
   51    H    ASN   7           H        ASN   7  -7.069  11.883  -5.909
   52    HA   ASN   7           HA       ASN   7  -6.036  12.195  -8.571
   53   1HB   ASN   7          2HB       ASN   7  -6.260  14.082  -6.217
   54   2HB   ASN   7          1HB       ASN   7  -5.607  14.592  -7.773
   55   1HD2  ASN   7          2HD2      ASN   7  -8.770  14.788  -9.329
   56   2HD2  ASN   7          1HD2      ASN   7  -7.091  14.973  -9.490
   57    H    LYS   8           H        LYS   8  -4.506  12.291  -5.362
   58    HA   LYS   8           HA       LYS   8  -1.868  12.899  -6.437
   59   1HB   LYS   8          2HB       LYS   8  -1.081  12.440  -4.126
   60   2HB   LYS   8          1HB       LYS   8  -2.444  13.557  -4.143
   61   1HG   LYS   8          2HG       LYS   8  -3.980  11.775  -3.540
   62   2HG   LYS   8          1HG       LYS   8  -2.706  10.570  -3.687
   63   1HD   LYS   8          2HD       LYS   8  -3.047  11.119  -1.328
   64   2HD   LYS   8          1HD       LYS   8  -1.468  11.707  -1.846
   65   1HE   LYS   8          2HE       LYS   8  -3.818  13.551  -2.076
   66   2HE   LYS   8          1HE       LYS   8  -3.122  13.277  -0.480
   67   1HZ   LYS   8          3HZ       LYS   8  -1.077  13.734  -2.407
   68   2HZ   LYS   8          2HZ       LYS   8  -2.202  15.005  -2.421
   69   3HZ   LYS   8          1HZ       LYS   8  -1.416  14.582  -0.977
   70    H    LEU   9           H        LEU   9  -3.718  10.001  -5.888
   71    HA   LEU   9           HA       LEU   9  -1.513   8.154  -5.738
   72   1HB   LEU   9          2HB       LEU   9  -3.883   7.660  -5.039
   73   2HB   LEU   9          1HB       LEU   9  -4.319   7.612  -6.747
   74    HG   LEU   9           HG       LEU   9  -2.469   5.876  -7.030
   75   1HD1  LEU   9          2HD1      LEU   9  -1.735   6.608  -4.523
   76   2HD1  LEU   9          1HD1      LEU   9  -2.741   5.209  -4.152
   77   3HD1  LEU   9          3HD1      LEU   9  -1.352   5.037  -5.225
   78   1HD2  LEU   9          2HD2      LEU   9  -5.040   5.505  -6.714
   79   2HD2  LEU   9          1HD2      LEU   9  -3.959   4.121  -6.563
   80   3HD2  LEU   9          3HD2      LEU   9  -4.586   4.911  -5.117
   81    H    TRP  10           H        TRP  10  -3.183   9.712  -8.399
   82    HA   TRP  10           HA       TRP  10  -2.188   7.881 -10.431
   83   1HB   TRP  10          2HB       TRP  10  -3.369  10.661 -10.655
   84   2HB   TRP  10          1HB       TRP  10  -3.007   9.615 -12.027
   85    HD1  TRP  10           HD1      TRP  10  -5.875  10.627 -10.299
   86    HE1  TRP  10           HE1      TRP  10  -7.705   8.817 -10.187
   87    HE3  TRP  10           HE3      TRP  10  -3.112   6.488 -11.478
   88    HZ2  TRP  10           HZ2      TRP  10  -7.968   5.997 -10.547
   89    HZ3  TRP  10           HZ3      TRP  10  -4.181   4.257 -11.582
   90    HH2  TRP  10           HH2      TRP  10  -6.603   4.006 -11.120
   91    H    SER  11           H        SER  11  -0.600  10.246  -8.613
   92    HA   SER  11           HA       SER  11   1.232  10.957 -10.841
   93   1HB   SER  11          2HB       SER  11   1.911  12.797  -9.579
   94   2HB   SER  11          1HB       SER  11   0.230  12.636  -9.082
   95    HG   SER  11           HG       SER  11   1.161  11.245  -7.343
   96    H    MET  12           H        MET  12   1.068   9.046  -7.919
   97    HA   MET  12           HA       MET  12   3.985   8.585  -7.899
   98   1HB   MET  12          2HB       MET  12   3.539   7.172  -5.927
   99   2HB   MET  12          1HB       MET  12   2.797   8.759  -5.739
  100   1HG   MET  12          2HG       MET  12   0.625   7.804  -6.494
  101   2HG   MET  12          1HG       MET  12   1.383   6.217  -6.604
  102   1HE   MET  12          3HE       MET  12   2.408   4.945  -4.746
  103   2HE   MET  12          2HE       MET  12   3.405   6.266  -4.144
  104   3HE   MET  12          1HE       MET  12   2.388   5.359  -3.027
  105    H    VAL  13           H        VAL  13   1.009   6.898  -8.809
  106    HA   VAL  13           HA       VAL  13   2.544   4.464  -9.506
  107    HB   VAL  13           HB       VAL  13  -0.387   4.912 -10.085
  108   1HG1  VAL  13          2HG1      VAL  13   1.314   2.478  -9.463
  109   2HG1  VAL  13          1HG1      VAL  13  -0.430   2.446  -9.726
  110   3HG1  VAL  13          3HG1      VAL  13   0.652   2.909 -11.038
  111   1HG2  VAL  13          2HG2      VAL  13   0.905   4.074  -7.468
  112   2HG2  VAL  13          1HG2      VAL  13  -0.133   5.472  -7.733
  113   3HG2  VAL  13          3HG2      VAL  13  -0.804   3.846  -7.837
  114    H    ASN  14           H        ASN  14   2.259   7.353 -10.999
  115    HA   ASN  14           HA       ASN  14   1.347   6.736 -13.634
  116   1HB   ASN  14          2HB       ASN  14   1.746   9.045 -12.694
  117   2HB   ASN  14          1HB       ASN  14   3.475   8.760 -12.893
  118   1HD2  ASN  14          2HD2      ASN  14   1.145   9.183 -16.260
  119   2HD2  ASN  14          1HD2      ASN  14   0.419   8.686 -14.809
  120    H    ASP  15           H        ASP  15   4.229   5.780 -11.989
  121    HA   ASP  15           HA       ASP  15   6.054   4.503 -12.710
  122   1HB   ASP  15          2HB       ASP  15   4.172   3.320 -14.001
  123   2HB   ASP  15          1HB       ASP  15   4.673   4.279 -15.393
  124    H    LYS  16           H        LYS  16   5.966   7.414 -13.064
  125    HA   LYS  16           HA       LYS  16   7.422   7.880 -15.594
  126   1HB   LYS  16          2HB       LYS  16   5.841   9.477 -13.792
  127   2HB   LYS  16          1HB       LYS  16   7.436  10.211 -13.942
  128   1HG   LYS  16          2HG       LYS  16   6.356   9.289 -16.515
  129   2HG   LYS  16          1HG       LYS  16   5.348  10.511 -15.745
  130   1HD   LYS  16          2HD       LYS  16   6.831  11.893 -16.853
  131   2HD   LYS  16          1HD       LYS  16   7.712  11.682 -15.339
  132   1HE   LYS  16          2HE       LYS  16   9.357  11.189 -16.928
  133   2HE   LYS  16          1HE       LYS  16   8.736   9.586 -16.533
  134   1HZ   LYS  16          3HZ       LYS  16   7.099  10.081 -18.454
  135   2HZ   LYS  16          2HZ       LYS  16   8.266  11.221 -18.931
  136   3HZ   LYS  16          1HZ       LYS  16   8.678   9.577 -18.815
  137    H    SER  17           H        SER  17   8.154   9.208 -12.370
  138    HA   SER  17           HA       SER  17  11.021   8.947 -12.855
  139   1HB   SER  17          2HB       SER  17  11.268   9.975 -10.660
  140   2HB   SER  17          1HB       SER  17  10.004  10.827 -11.543
  141    HG   SER  17           HG       SER  17   8.851  10.370  -9.842
  142    H    ASN  18           H        ASN  18   8.551   7.207 -11.070
  143    HA   ASN  18           HA       ASN  18  10.595   5.352  -9.953
  144   1HB   ASN  18          2HB       ASN  18   8.589   4.383  -8.727
  145   2HB   ASN  18          1HB       ASN  18   8.977   6.051  -8.307
  146   1HD2  ASN  18          2HD2      ASN  18   5.862   7.284  -9.393
  147   2HD2  ASN  18          1HD2      ASN  18   7.310   7.576  -8.561
  148    H    GLU  19           H        GLU  19  10.124   5.362 -12.769
  149    HA   GLU  19           HA       GLU  19   8.265   3.362 -13.601
  150   1HB   GLU  19          2HB       GLU  19   9.556   3.328 -15.706
  151   2HB   GLU  19          1HB       GLU  19   9.271   4.980 -15.166
  152   1HG   GLU  19          2HG       GLU  19  11.554   4.914 -14.066
  153   2HG   GLU  19          1HG       GLU  19  11.825   3.376 -14.885
  154    H    LYS  20           H        LYS  20  11.452   3.135 -12.194
  155    HA   LYS  20           HA       LYS  20  11.646   0.264 -12.917
  156   1HB   LYS  20          2HB       LYS  20  13.547   2.287 -11.754
  157   2HB   LYS  20          1HB       LYS  20  13.878   0.563 -11.586
  158   1HG   LYS  20          2HG       LYS  20  13.089   1.111 -14.310
  159   2HG   LYS  20          1HG       LYS  20  14.381   2.217 -13.848
  160   1HD   LYS  20          2HD       LYS  20  14.808  -0.567 -12.964
  161   2HD   LYS  20          1HD       LYS  20  14.772  -0.363 -14.715
  162   1HE   LYS  20          2HE       LYS  20  17.050  -0.036 -14.067
  163   2HE   LYS  20          1HE       LYS  20  16.406   1.573 -14.389
  164   1HZ   LYS  20          2HZ       LYS  20  16.448   0.354 -11.687
  165   2HZ   LYS  20          1HZ       LYS  20  17.695   1.345 -12.279
  166   3HZ   LYS  20          3HZ       LYS  20  16.131   1.973 -12.090
  167    H    PHE  21           H        PHE  21   9.620   1.305 -10.981
  168    HA   PHE  21           HA       PHE  21  10.325  -0.522  -8.750
  169   1HB   PHE  21          2HB       PHE  21   9.480   2.371  -8.436
  170   2HB   PHE  21          1HB       PHE  21   9.405   1.193  -7.124
  171    HD1  PHE  21           HD1      PHE  21  11.701  -0.344  -7.080
  172    HD2  PHE  21           HD2      PHE  21  11.364   3.732  -8.391
  173    HE1  PHE  21           HE1      PHE  21  14.114   0.001  -6.625
  174    HE2  PHE  21           HE2      PHE  21  13.777   4.078  -7.934
  175    HZ   PHE  21           HZ       PHE  21  15.152   2.213  -7.050
  176    H    ILE  22           H        ILE  22   7.673   1.833  -9.149
  177    HA   ILE  22           HA       ILE  22   5.759  -0.430  -8.930
  178    HB   ILE  22           HB       ILE  22   5.465   1.470  -7.378
  179   1HG1  ILE  22          2HG1      ILE  22   3.242   1.553  -9.429
  180   2HG1  ILE  22          1HG1      ILE  22   3.495   0.165  -8.371
  181   1HG2  ILE  22          1HG2      ILE  22   5.168   3.058  -9.939
  182   2HG2  ILE  22          3HG2      ILE  22   4.687   3.660  -8.353
  183   3HG2  ILE  22          2HG2      ILE  22   6.379   3.285  -8.678
  184   1HD1  ILE  22          2HD1      ILE  22   3.536   2.015  -6.480
  185   2HD1  ILE  22          1HD1      ILE  22   2.628   2.947  -7.671
  186   3HD1  ILE  22          3HD1      ILE  22   2.000   1.404  -7.094
  187    H    HIS  23           H        HIS  23   4.104  -0.727 -10.510
  188    HA   HIS  23           HA       HIS  23   4.007   0.980 -12.882
  189   1HB   HIS  23          2HB       HIS  23   4.599  -0.902 -14.446
  190   2HB   HIS  23          1HB       HIS  23   5.959  -0.319 -13.487
  191    HD1  HIS  23           HD1      HIS  23   4.106  -3.359 -14.292
  192    HD2  HIS  23           HD2      HIS  23   6.458  -2.048 -11.109
  193    HE1  HIS  23           HE1      HIS  23   4.749  -5.426 -12.976
  194    H    TRP  24           H        TRP  24   2.302   0.292 -14.366
  195    HA   TRP  24           HA       TRP  24   0.034  -0.883 -12.948
  196   1HB   TRP  24          2HB       TRP  24   0.445   0.200 -15.741
  197   2HB   TRP  24          1HB       TRP  24  -1.064  -0.567 -15.257
  198    HD1  TRP  24           HD1      TRP  24   1.019   1.745 -12.984
  199    HE1  TRP  24           HE1      TRP  24  -0.410   3.821 -12.424
  200    HE3  TRP  24           HE3      TRP  24  -3.036   0.861 -15.958
  201    HZ2  TRP  24           HZ2      TRP  24  -2.935   4.953 -13.139
  202    HZ3  TRP  24           HZ3      TRP  24  -4.935   2.452 -16.002
  203    HH2  TRP  24           HH2      TRP  24  -4.890   4.495 -14.598
  204    H    SER  25           H        SER  25  -1.050  -2.832 -13.576
  205    HA   SER  25           HA       SER  25   0.741  -4.880 -14.714
  206   1HB   SER  25          2HB       SER  25  -0.649  -5.375 -12.706
  207   2HB   SER  25          1HB       SER  25  -2.101  -5.112 -13.667
  208    HG   SER  25           HG       SER  25  -1.507  -7.327 -13.547
  209    H    THR  26           H        THR  26  -0.506  -6.480 -16.312
  210    HA   THR  26           HA       THR  26  -1.042  -5.046 -18.719
  211    HB   THR  26           HB       THR  26  -2.013  -7.846 -18.094
  212    HG1  THR  26           HG1      THR  26   0.532  -6.998 -19.011
  213   1HG2  THR  26          1HG2      THR  26  -1.187  -6.411 -20.631
  214   2HG2  THR  26          3HG2      THR  26  -1.513  -8.142 -20.536
  215   3HG2  THR  26          2HG2      THR  26  -2.803  -6.983 -20.214
  216    H    SER  27           H        SER  27  -2.950  -4.382 -19.668
  217    HA   SER  27           HA       SER  27  -5.263  -4.032 -19.979
  218   1HB   SER  27          2HB       SER  27  -5.445  -6.325 -18.575
  219   2HB   SER  27          1HB       SER  27  -6.084  -5.212 -17.370
  220    HG   SER  27           HG       SER  27  -7.852  -5.419 -18.495
  221    H    GLY  28           H        GLY  28  -4.453  -3.851 -16.479
  222   1HA   GLY  28          2HA       GLY  28  -4.015  -1.518 -15.619
  223   2HA   GLY  28          1HA       GLY  28  -5.430  -1.028 -16.552
  224    H    GLU  29           H        GLU  29  -6.128  -0.258 -14.334
  225    HA   GLU  29           HA       GLU  29  -7.522  -0.488 -12.464
  226   1HB   GLU  29          2HB       GLU  29  -8.310  -2.717 -14.277
  227   2HB   GLU  29          1HB       GLU  29  -8.866  -2.816 -12.606
  228   1HG   GLU  29          2HG       GLU  29  -9.157  -0.169 -13.925
  229   2HG   GLU  29          1HG       GLU  29 -10.213  -1.452 -14.515
  230    H    SER  30           H        SER  30  -4.753  -1.557 -12.404
  231    HA   SER  30           HA       SER  30  -4.889  -2.897  -9.851
  232   1HB   SER  30          2HB       SER  30  -3.658  -4.993 -10.781
  233   2HB   SER  30          1HB       SER  30  -5.410  -4.915 -10.934
  234    HG   SER  30           HG       SER  30  -4.106  -5.469 -12.876
  235    H    ILE  31           H        ILE  31  -2.930  -2.687  -8.809
  236    HA   ILE  31           HA       ILE  31  -0.624  -1.709 -10.452
  237    HB   ILE  31           HB       ILE  31  -1.200  -1.085  -7.540
  238   1HG1  ILE  31          2HG1      ILE  31  -1.565   0.730  -9.942
  239   2HG1  ILE  31          1HG1      ILE  31  -2.893  -0.146  -9.181
  240   1HG2  ILE  31          1HG2      ILE  31   0.889  -0.265  -9.542
  241   2HG2  ILE  31          3HG2      ILE  31   0.447   0.833  -8.234
  242   3HG2  ILE  31          2HG2      ILE  31   1.095  -0.766  -7.864
  243   1HD1  ILE  31          1HD1      ILE  31  -1.076   1.526  -7.474
  244   2HD1  ILE  31          3HD1      ILE  31  -2.340   2.316  -8.418
  245   3HD1  ILE  31          2HD1      ILE  31  -2.769   1.099  -7.215
  246    H    VAL  32           H        VAL  32   1.444  -2.595  -9.950
  247    HA   VAL  32           HA       VAL  32   1.378  -4.904  -8.042
  248    HB   VAL  32           HB       VAL  32   3.014  -4.712 -10.590
  249   1HG1  VAL  32          3HG1      VAL  32   3.647  -6.168  -8.447
  250   2HG1  VAL  32          2HG1      VAL  32   2.429  -7.251  -9.118
  251   3HG1  VAL  32          1HG1      VAL  32   3.843  -6.812 -10.076
  252   1HG2  VAL  32          1HG2      VAL  32   0.323  -5.049 -10.544
  253   2HG2  VAL  32          3HG2      VAL  32   1.366  -5.847 -11.720
  254   3HG2  VAL  32          2HG2      VAL  32   0.833  -6.715 -10.280
  255    H    VAL  33           H        VAL  33   2.933  -4.904  -6.497
  256    HA   VAL  33           HA       VAL  33   5.091  -2.844  -6.696
  257    HB   VAL  33           HB       VAL  33   4.005  -4.202  -4.208
  258   1HG1  VAL  33          1HG1      VAL  33   6.137  -2.194  -4.786
  259   2HG1  VAL  33          3HG1      VAL  33   5.156  -1.935  -3.344
  260   3HG1  VAL  33          2HG1      VAL  33   6.069  -3.431  -3.531
  261   1HG2  VAL  33          2HG2      VAL  33   2.309  -2.767  -5.318
  262   2HG2  VAL  33          1HG2      VAL  33   2.846  -2.070  -3.789
  263   3HG2  VAL  33          3HG2      VAL  33   3.456  -1.427  -5.315
  264    HA   PRO  34           HA       PRO  34   7.154  -6.906  -7.181
  265   1HB   PRO  34          2HB       PRO  34   9.428  -5.911  -8.350
  266   2HB   PRO  34          1HB       PRO  34   7.977  -6.364  -9.259
  267   1HG   PRO  34          2HG       PRO  34   9.009  -3.655  -8.607
  268   2HG   PRO  34          1HG       PRO  34   7.973  -4.170  -9.948
  269   1HD   PRO  34          2HD       PRO  34   7.119  -2.856  -7.589
  270   2HD   PRO  34          1HD       PRO  34   6.078  -3.627  -8.800
  271    H    ASN  35           H        ASN  35   8.252  -3.833  -5.882
  272    HA   ASN  35           HA       ASN  35   9.716  -5.304  -3.763
  273   1HB   ASN  35          2HB       ASN  35  11.548  -3.495  -3.942
  274   2HB   ASN  35          1HB       ASN  35  11.564  -4.779  -5.147
  275   1HD2  ASN  35          2HD2      ASN  35  11.137  -2.555  -7.838
  276   2HD2  ASN  35          1HD2      ASN  35  11.513  -4.125  -7.312
  277    H    ARG  36           H        ARG  36   8.077  -4.694  -2.316
  278    HA   ARG  36           HA       ARG  36   7.133  -1.972  -2.060
  279   1HB   ARG  36          2HB       ARG  36   5.858  -4.007  -1.323
  280   2HB   ARG  36          1HB       ARG  36   7.015  -4.197  -0.005
  281   1HG   ARG  36          2HG       ARG  36   5.757  -1.512  -0.333
  282   2HG   ARG  36          1HG       ARG  36   4.739  -2.808   0.295
  283   1HD   ARG  36          2HD       ARG  36   7.404  -2.739   1.528
  284   2HD   ARG  36          1HD       ARG  36   6.470  -1.271   1.804
  285    HE   ARG  36           HE       ARG  36   5.268  -3.937   2.392
  286   1HH1  ARG  36          1HH2      ARG  36   7.084  -1.551   3.884
  287   2HH1  ARG  36          2HH2      ARG  36   5.957  -1.238   5.162
  288   1HH2  ARG  36          2HH1      ARG  36   3.452  -3.207   3.792
  289   2HH2  ARG  36          1HH1      ARG  36   3.902  -2.175   5.109
  290    H    GLU  37           H        GLU  37   9.992  -3.568  -0.980
  291    HA   GLU  37           HA       GLU  37  10.416  -1.870   1.361
  292   1HB   GLU  37          2HB       GLU  37  11.341  -4.258   0.933
  293   2HB   GLU  37          1HB       GLU  37  12.557  -3.449  -0.057
  294   1HG   GLU  37          2HG       GLU  37  13.697  -3.240   1.898
  295   2HG   GLU  37          1HG       GLU  37  12.595  -1.897   2.200
  296    H    ARG  38           H        ARG  38  12.069  -2.182  -1.806
  297    HA   ARG  38           HA       ARG  38  13.623   0.217  -1.457
  298   1HB   ARG  38          2HB       ARG  38  13.411  -1.886  -3.366
  299   2HB   ARG  38          1HB       ARG  38  13.197  -0.377  -4.250
  300   1HG   ARG  38          2HG       ARG  38  15.384   0.143  -4.050
  301   2HG   ARG  38          1HG       ARG  38  15.361  -0.145  -2.312
  302   1HD   ARG  38          2HD       ARG  38  16.752  -1.874  -2.862
  303   2HD   ARG  38          1HD       ARG  38  15.235  -2.701  -3.210
  304    HE   ARG  38           HE       ARG  38  15.603  -1.845  -5.619
  305   1HH1  ARG  38          1HH2      ARG  38  18.249  -0.553  -4.617
  306   2HH1  ARG  38          2HH2      ARG  38  19.396  -1.687  -5.253
  307   1HH2  ARG  38          2HH1      ARG  38  17.017  -4.128  -5.898
  308   2HH2  ARG  38          1HH1      ARG  38  18.697  -3.713  -5.979
  309    H    PHE  39           H        PHE  39  10.441  -0.437  -2.775
  310    HA   PHE  39           HA       PHE  39  10.044   2.017  -4.182
  311   1HB   PHE  39          2HB       PHE  39   8.543   0.148  -4.529
  312   2HB   PHE  39          1HB       PHE  39   8.099   0.122  -2.826
  313    HD1  PHE  39           HD1      PHE  39   7.849   2.099  -5.967
  314    HD2  PHE  39           HD2      PHE  39   6.424   1.577  -1.953
  315    HE1  PHE  39           HE1      PHE  39   5.992   3.672  -6.429
  316    HE2  PHE  39           HE2      PHE  39   4.563   3.156  -2.411
  317    HZ   PHE  39           HZ       PHE  39   4.348   4.203  -4.649
  318    H    VAL  40           H        VAL  40   8.635   1.131  -1.008
  319    HA   VAL  40           HA       VAL  40   7.827   3.711  -0.238
  320    HB   VAL  40           HB       VAL  40   8.860   1.481   1.549
  321   1HG1  VAL  40          2HG1      VAL  40   7.511   4.086   2.071
  322   2HG1  VAL  40          1HG1      VAL  40   6.952   2.698   3.004
  323   3HG1  VAL  40          3HG1      VAL  40   8.644   3.187   3.076
  324   1HG2  VAL  40          3HG2      VAL  40   6.115   2.106   0.428
  325   2HG2  VAL  40          2HG2      VAL  40   7.075   0.655   0.145
  326   3HG2  VAL  40          1HG2      VAL  40   6.396   0.964   1.743
  327    H    GLN  41           H        GLN  41  10.976   2.147   0.184
  328    HA   GLN  41           HA       GLN  41  12.219   4.061   1.851
  329   1HB   GLN  41          2HB       GLN  41  13.096   1.774   1.011
  330   2HB   GLN  41          1HB       GLN  41  13.707   2.685  -0.371
  331   1HG   GLN  41          2HG       GLN  41  15.511   3.185   0.885
  332   2HG   GLN  41          1HG       GLN  41  14.459   4.230   1.837
  333   1HE2  GLN  41          2HE2      GLN  41  16.146   1.353   3.833
  334   2HE2  GLN  41          1HE2      GLN  41  16.788   2.242   2.538
  335    H    GLU  42           H        GLU  42  11.864   4.088  -1.704
  336    HA   GLU  42           HA       GLU  42  12.874   6.906  -1.630
  337   1HB   GLU  42          2HB       GLU  42  13.473   4.725  -3.635
  338   2HB   GLU  42          1HB       GLU  42  13.761   6.432  -3.971
  339   1HG   GLU  42          2HG       GLU  42  15.405   6.616  -2.302
  340   2HG   GLU  42          1HG       GLU  42  14.844   5.170  -1.461
  341    H    VAL  43           H        VAL  43  10.067   5.857  -1.625
  342    HA   VAL  43           HA       VAL  43   9.165   7.454  -3.944
  343    HB   VAL  43           HB       VAL  43   8.076   4.662  -3.470
  344   1HG1  VAL  43          3HG1      VAL  43   7.390   6.965  -5.234
  345   2HG1  VAL  43          2HG1      VAL  43   7.321   5.358  -5.957
  346   3HG1  VAL  43          1HG1      VAL  43   6.341   5.731  -4.539
  347   1HG2  VAL  43          2HG2      VAL  43  10.080   5.764  -5.456
  348   2HG2  VAL  43          1HG2      VAL  43  10.284   4.397  -4.362
  349   3HG2  VAL  43          3HG2      VAL  43   9.192   4.268  -5.740
  350    H    LEU  44           H        LEU  44   8.332   5.898  -0.844
  351    HA   LEU  44           HA       LEU  44   5.673   7.069  -0.784
  352   1HB   LEU  44          2HB       LEU  44   6.539   5.005   0.523
  353   2HB   LEU  44          1HB       LEU  44   7.165   6.183   1.674
  354    HG   LEU  44           HG       LEU  44   4.815   7.204   1.677
  355   1HD1  LEU  44          3HD1      LEU  44   4.326   4.588   0.236
  356   2HD1  LEU  44          2HD1      LEU  44   3.047   5.457   1.085
  357   3HD1  LEU  44          1HD1      LEU  44   3.870   6.210  -0.282
  358   1HD2  LEU  44          3HD2      LEU  44   5.747   4.657   2.890
  359   2HD2  LEU  44          2HD2      LEU  44   5.146   6.121   3.669
  360   3HD2  LEU  44          1HD2      LEU  44   4.010   4.956   2.989
  361    HA   PRO  45           HA       PRO  45   7.625  10.298   2.013
  362   1HB   PRO  45          2HB       PRO  45  10.348  10.590   2.131
  363   2HB   PRO  45          1HB       PRO  45   9.421   9.580   3.254
  364   1HG   PRO  45          2HG       PRO  45  11.146   8.755   0.968
  365   2HG   PRO  45          1HG       PRO  45  10.767   7.882   2.463
  366   1HD   PRO  45          2HD       PRO  45   9.609   7.383  -0.047
  367   2HD   PRO  45          1HD       PRO  45   8.982   6.828   1.514
  368    H    LYS  46           H        LYS  46   8.478   9.644  -1.187
  369    HA   LYS  46           HA       LYS  46   9.701  12.245  -1.770
  370   1HB   LYS  46          2HB       LYS  46   9.690   9.760  -3.028
  371   2HB   LYS  46          1HB       LYS  46   8.663  10.746  -4.068
  372   1HG   LYS  46          2HG       LYS  46  10.730  11.276  -4.957
  373   2HG   LYS  46          1HG       LYS  46  10.622  12.520  -3.710
  374   1HD   LYS  46          2HD       LYS  46  12.079  11.384  -2.267
  375   2HD   LYS  46          1HD       LYS  46  11.811   9.832  -3.062
  376   1HE   LYS  46          2HE       LYS  46  14.013  10.654  -3.684
  377   2HE   LYS  46          1HE       LYS  46  12.961  10.733  -5.096
  378   1HZ   LYS  46          2HZ       LYS  46  12.515  13.090  -4.462
  379   2HZ   LYS  46          1HZ       LYS  46  13.757  12.961  -3.310
  380   3HZ   LYS  46          3HZ       LYS  46  14.110  12.780  -4.960
  381    H    TYR  47           H        TYR  47   6.538  10.700  -2.073
  382    HA   TYR  47           HA       TYR  47   5.428  13.175  -3.295
  383   1HB   TYR  47          2HB       TYR  47   4.287  10.402  -2.868
  384   2HB   TYR  47          1HB       TYR  47   3.332  11.754  -3.474
  385    HD1  TYR  47           HD2      TYR  47   6.489   9.853  -4.132
  386    HD2  TYR  47           HD1      TYR  47   3.341  12.277  -5.763
  387    HE1  TYR  47           HE2      TYR  47   7.363   9.449  -6.417
  388    HE2  TYR  47           HE1      TYR  47   4.212  11.871  -8.048
  389    HH   TYR  47           HH       TYR  47   6.415  11.259  -9.093
  390    H    PHE  48           H        PHE  48   5.019  11.055  -0.470
  391    HA   PHE  48           HA       PHE  48   3.085  12.916   0.744
  392   1HB   PHE  48          2HB       PHE  48   4.286  10.284   1.628
  393   2HB   PHE  48          1HB       PHE  48   3.219  11.238   2.660
  394    HD1  PHE  48           HD1      PHE  48   0.988  12.076   1.460
  395    HD2  PHE  48           HD2      PHE  48   3.322   8.686   0.232
  396    HE1  PHE  48           HE1      PHE  48  -0.988  11.142   0.286
  397    HE2  PHE  48           HE2      PHE  48   1.348   7.752  -0.943
  398    HZ   PHE  48           HZ       PHE  48  -0.807   8.980  -0.916
  399    H    LYS  49           H        LYS  49   3.606  13.219   3.271
  400    HA   LYS  49           HA       LYS  49   6.236  14.600   3.344
  401   1HB   LYS  49          2HB       LYS  49   3.870  14.795   5.233
  402   2HB   LYS  49          1HB       LYS  49   5.309  15.817   5.265
  403   1HG   LYS  49          2HG       LYS  49   4.644  16.210   2.713
  404   2HG   LYS  49          1HG       LYS  49   3.039  15.800   3.319
  405   1HD   LYS  49          2HD       LYS  49   2.863  17.720   4.541
  406   2HD   LYS  49          1HD       LYS  49   4.569  17.715   4.983
  407   1HE   LYS  49          2HE       LYS  49   5.072  19.152   3.322
  408   2HE   LYS  49          1HE       LYS  49   4.261  18.142   2.125
  409   1HZ   LYS  49          2HZ       LYS  49   2.129  19.093   2.963
  410   2HZ   LYS  49          1HZ       LYS  49   3.038  20.199   3.878
  411   3HZ   LYS  49          3HZ       LYS  49   3.144  20.213   2.185
  412    H    HIS  50           H        HIS  50   4.248  12.804   5.736
  413    HA   HIS  50           HA       HIS  50   6.663  11.236   6.473
  414   1HB   HIS  50          2HB       HIS  50   5.009  12.891   8.402
  415   2HB   HIS  50          1HB       HIS  50   6.153  11.649   8.907
  416    HD1  HIS  50           HD1      HIS  50   8.556  12.120   7.198
  417    HD2  HIS  50           HD2      HIS  50   6.334  15.282   8.763
  418    HE1  HIS  50           HE1      HIS  50  10.094  14.134   7.225
  419    H    SER  51           H        SER  51   4.252  10.505   5.056
  420    HA   SER  51           HA       SER  51   2.562   9.054   6.980
  421   1HB   SER  51          2HB       SER  51   1.928  10.154   4.637
  422   2HB   SER  51          1HB       SER  51   2.415   8.574   4.031
  423    HG   SER  51           HG       SER  51   0.159   9.290   5.291
  424    H    ASN  52           H        ASN  52   2.319   6.702   6.885
  425    HA   ASN  52           HA       ASN  52   4.858   5.356   6.060
  426   1HB   ASN  52          2HB       ASN  52   3.607   5.369   8.524
  427   2HB   ASN  52          1HB       ASN  52   3.026   3.861   7.824
  428   1HD2  ASN  52          2HD2      ASN  52   6.761   3.998   9.246
  429   2HD2  ASN  52          1HD2      ASN  52   5.583   5.171   9.585
  430    H    PHE  53           H        PHE  53   4.585   3.081   5.263
  431    HA   PHE  53           HA       PHE  53   2.806   2.902   3.067
  432   1HB   PHE  53          2HB       PHE  53   4.908   1.493   3.597
  433   2HB   PHE  53          1HB       PHE  53   3.819   0.472   4.533
  434    HD1  PHE  53           HD2      PHE  53   4.259   1.986   1.139
  435    HD2  PHE  53           HD1      PHE  53   2.492  -1.157   3.472
  436    HE1  PHE  53           HE2      PHE  53   3.508   0.863  -0.941
  437    HE2  PHE  53           HE1      PHE  53   1.746  -2.283   1.393
  438    HZ   PHE  53           HZ       PHE  53   2.253  -1.272  -0.815
  439    H    ALA  54           H        ALA  54   2.436   1.806   6.406
  440    HA   ALA  54           HA       ALA  54   0.082   0.234   6.061
  441   1HB   ALA  54          3HB       ALA  54   1.369   1.661   8.350
  442   2HB   ALA  54          2HB       ALA  54  -0.303   1.138   8.546
  443   3HB   ALA  54          1HB       ALA  54   0.953  -0.044   8.182
  444    H    SER  55           H        SER  55   0.517   3.715   6.625
  445    HA   SER  55           HA       SER  55  -2.299   4.313   6.840
  446   1HB   SER  55          2HB       SER  55   0.118   6.008   6.170
  447   2HB   SER  55          1HB       SER  55  -1.507   6.674   6.291
  448    HG   SER  55           HG       SER  55  -1.284   6.626   8.372
  449    H    PHE  56           H        PHE  56  -0.060   3.952   4.163
  450    HA   PHE  56           HA       PHE  56  -1.639   5.205   2.127
  451   1HB   PHE  56          2HB       PHE  56   0.750   4.633   1.831
  452   2HB   PHE  56          1HB       PHE  56   0.352   2.918   1.914
  453    HD1  PHE  56           HD2      PHE  56  -1.106   5.886   0.128
  454    HD2  PHE  56           HD1      PHE  56   0.441   1.892  -0.161
  455    HE1  PHE  56           HE2      PHE  56  -1.584   5.875  -2.308
  456    HE2  PHE  56           HE1      PHE  56  -0.038   1.877  -2.591
  457    HZ   PHE  56           HZ       PHE  56  -1.049   3.864  -3.663
  458    H    VAL  57           H        VAL  57  -1.314   1.749   3.003
  459    HA   VAL  57           HA       VAL  57  -3.361   0.820   1.238
  460    HB   VAL  57           HB       VAL  57  -2.459  -0.427   3.854
  461   1HG1  VAL  57          2HG1      VAL  57  -4.548  -1.172   2.206
  462   2HG1  VAL  57          1HG1      VAL  57  -3.216  -2.142   1.581
  463   3HG1  VAL  57          3HG1      VAL  57  -3.672  -2.259   3.281
  464   1HG2  VAL  57          2HG2      VAL  57  -1.385  -0.734   1.030
  465   2HG2  VAL  57          1HG2      VAL  57  -0.547   0.037   2.376
  466   3HG2  VAL  57          3HG2      VAL  57  -0.874  -1.695   2.417
  467    H    ARG  58           H        ARG  58  -3.477   2.295   4.413
  468    HA   ARG  58           HA       ARG  58  -6.100   1.428   5.180
  469   1HB   ARG  58          2HB       ARG  58  -4.231   2.753   6.507
  470   2HB   ARG  58          1HB       ARG  58  -5.092   4.162   5.896
  471   1HG   ARG  58          2HG       ARG  58  -6.934   2.150   6.948
  472   2HG   ARG  58          1HG       ARG  58  -5.768   2.665   8.164
  473   1HD   ARG  58          2HD       ARG  58  -7.035   4.499   8.487
  474   2HD   ARG  58          1HD       ARG  58  -6.567   5.036   6.874
  475    HE   ARG  58           HE       ARG  58  -8.670   4.246   6.039
  476   1HH1  ARG  58          1HH2      ARG  58  -8.880   4.970   9.227
  477   2HH1  ARG  58          2HH2      ARG  58 -10.185   3.896   9.605
  478   1HH2  ARG  58          2HH1      ARG  58 -10.039   2.217   6.578
  479   2HH2  ARG  58          1HH1      ARG  58 -10.842   2.341   8.107
  480    H    GLN  59           H        GLN  59  -5.001   4.413   3.538
  481    HA   GLN  59           HA       GLN  59  -7.618   5.488   3.087
  482   1HB   GLN  59          2HB       GLN  59  -4.918   5.916   1.824
  483   2HB   GLN  59          1HB       GLN  59  -6.347   6.671   1.124
  484   1HG   GLN  59          2HG       GLN  59  -5.578   8.306   2.618
  485   2HG   GLN  59          1HG       GLN  59  -6.821   7.480   3.555
  486   1HE2  GLN  59          2HE2      GLN  59  -2.968   7.370   4.795
  487   2HE2  GLN  59          1HE2      GLN  59  -3.432   8.235   3.410
  488    H    LEU  60           H        LEU  60  -5.564   3.328   1.189
  489    HA   LEU  60           HA       LEU  60  -7.096   3.280  -1.203
  490   1HB   LEU  60          2HB       LEU  60  -5.267   1.245   0.088
  491   2HB   LEU  60          1HB       LEU  60  -5.962   1.018  -1.513
  492    HG   LEU  60           HG       LEU  60  -4.464   3.536  -0.805
  493   1HD1  LEU  60          1HD1      LEU  60  -3.411   0.817  -1.326
  494   2HD1  LEU  60          3HD1      LEU  60  -2.679   2.101  -2.287
  495   3HD1  LEU  60          2HD1      LEU  60  -2.643   2.188  -0.527
  496   1HD2  LEU  60          2HD2      LEU  60  -6.002   3.130  -2.899
  497   2HD2  LEU  60          1HD2      LEU  60  -4.434   3.906  -3.115
  498   3HD2  LEU  60          3HD2      LEU  60  -4.630   2.194  -3.491
  499    H    ASN  61           H        ASN  61  -7.448   1.467   1.814
  500    HA   ASN  61           HA       ASN  61  -9.480  -0.324   0.731
  501   1HB   ASN  61          2HB       ASN  61  -7.838  -0.439   2.904
  502   2HB   ASN  61          1HB       ASN  61  -9.347   0.067   3.664
  503   1HD2  ASN  61          2HD2      ASN  61  -9.252  -3.583   1.757
  504   2HD2  ASN  61          1HD2      ASN  61  -8.178  -2.365   1.261
  505    H    MET  62           H        MET  62  -9.452   2.749   2.436
  506    HA   MET  62           HA       MET  62 -12.291   2.715   3.065
  507   1HB   MET  62          2HB       MET  62 -10.448   4.081   4.230
  508   2HB   MET  62          1HB       MET  62 -10.565   5.183   2.858
  509   1HG   MET  62          2HG       MET  62 -12.125   6.148   4.270
  510   2HG   MET  62          1HG       MET  62 -13.164   5.025   3.395
  511   1HE   MET  62          2HE       MET  62 -11.885   6.418   6.272
  512   2HE   MET  62          1HE       MET  62 -13.538   6.179   6.833
  513   3HE   MET  62          3HE       MET  62 -12.192   5.396   7.673
  514    H    TYR  63           H        TYR  63 -10.421   3.534   0.247
  515    HA   TYR  63           HA       TYR  63 -12.619   5.139  -0.904
  516   1HB   TYR  63          2HB       TYR  63  -9.811   4.476  -1.773
  517   2HB   TYR  63          1HB       TYR  63 -10.969   5.173  -2.909
  518    HD1  TYR  63           HD2      TYR  63 -12.443   7.163  -1.702
  519    HD2  TYR  63           HD1      TYR  63  -8.415   6.026  -0.735
  520    HE1  TYR  63           HE2      TYR  63 -12.039   9.412  -0.734
  521    HE2  TYR  63           HE1      TYR  63  -8.014   8.271   0.237
  522    HH   TYR  63           HH       TYR  63 -10.148  10.889  -0.245
  523    H    GLY  64           H        GLY  64 -11.038   1.982  -1.399
  524   1HA   GLY  64          2HA       GLY  64 -13.165   0.474  -2.175
  525   2HA   GLY  64          1HA       GLY  64 -12.821   1.356  -3.659
  526    H    TRP  65           H        TRP  65  -9.879   1.377  -2.985
  527    HA   TRP  65           HA       TRP  65  -9.085  -0.921  -4.461
  528   1HB   TRP  65          2HB       TRP  65  -7.559   0.875  -2.568
  529   2HB   TRP  65          1HB       TRP  65  -6.783  -0.399  -3.504
  530    HD1  TRP  65           HD1      TRP  65  -8.344   3.031  -3.805
  531    HE1  TRP  65           HE1      TRP  65  -7.953   3.940  -6.185
  532    HE3  TRP  65           HE3      TRP  65  -6.463  -1.153  -6.049
  533    HZ2  TRP  65           HZ2      TRP  65  -6.973   3.016  -8.706
  534    HZ3  TRP  65           HZ3      TRP  65  -5.809  -1.109  -8.439
  535    HH2  TRP  65           HH2      TRP  65  -6.061   0.968  -9.769
  536    H    HIS  66           H        HIS  66  -8.657  -3.008  -3.853
  537    HA   HIS  66           HA       HIS  66  -8.638  -3.622  -0.922
  538   1HB   HIS  66          2HB       HIS  66  -9.831  -5.306  -3.147
  539   2HB   HIS  66          1HB       HIS  66  -9.822  -5.714  -1.430
  540    HD1  HIS  66           HD1      HIS  66 -10.620  -3.029  -0.198
  541    HD2  HIS  66           HD2      HIS  66 -12.495  -4.630  -3.559
  542    HE1  HIS  66           HE1      HIS  66 -12.910  -1.953  -0.323
  543    H    LYS  67           H        LYS  67  -7.397  -5.597  -0.374
  544    HA   LYS  67           HA       LYS  67  -5.288  -6.190  -2.412
  545   1HB   LYS  67          2HB       LYS  67  -4.108  -6.837   0.026
  546   2HB   LYS  67          1HB       LYS  67  -3.784  -5.394  -0.922
  547   1HG   LYS  67          2HG       LYS  67  -4.268  -4.580   1.246
  548   2HG   LYS  67          1HG       LYS  67  -5.765  -4.327   0.355
  549   1HD   LYS  67          2HD       LYS  67  -6.777  -5.466   2.033
  550   2HD   LYS  67          1HD       LYS  67  -6.058  -6.911   1.328
  551   1HE   LYS  67          2HE       LYS  67  -4.334  -6.981   2.884
  552   2HE   LYS  67          1HE       LYS  67  -4.407  -5.246   3.194
  553   1HZ   LYS  67          3HZ       LYS  67  -6.639  -7.038   3.925
  554   2HZ   LYS  67          2HZ       LYS  67  -5.318  -6.801   4.968
  555   3HZ   LYS  67          1HZ       LYS  67  -6.293  -5.485   4.513
  556    H    VAL  68           H        VAL  68  -6.833  -7.918  -3.033
  557    HA   VAL  68           HA       VAL  68  -7.426 -10.084  -1.211
  558    HB   VAL  68           HB       VAL  68  -8.793  -9.632  -3.216
  559   1HG1  VAL  68          2HG1      VAL  68  -6.184  -9.718  -4.505
  560   2HG1  VAL  68          1HG1      VAL  68  -7.325 -10.795  -5.309
  561   3HG1  VAL  68          3HG1      VAL  68  -7.711  -9.086  -5.116
  562   1HG2  VAL  68          3HG2      VAL  68  -8.085 -12.095  -2.236
  563   2HG2  VAL  68          2HG2      VAL  68  -9.334 -11.833  -3.453
  564   3HG2  VAL  68          1HG2      VAL  68  -7.701 -12.280  -3.948
  565    H    GLN  69           H        GLN  69  -6.434 -12.163  -1.130
  566    HA   GLN  69           HA       GLN  69  -3.834 -12.475  -2.543
  567   1HB   GLN  69          2HB       GLN  69  -4.304 -12.506   0.434
  568   2HB   GLN  69          1HB       GLN  69  -2.990 -13.446  -0.275
  569   1HG   GLN  69          2HG       GLN  69  -2.515 -11.140  -1.532
  570   2HG   GLN  69          1HG       GLN  69  -3.332 -10.483  -0.113
  571   1HE2  GLN  69          2HE2      GLN  69  -0.757 -11.556   2.163
  572   2HE2  GLN  69          1HE2      GLN  69  -2.424 -11.255   2.064
  573    H    ASP  70           H        ASP  70  -4.788 -14.119  -3.817
  574    HA   ASP  70           HA       ASP  70  -6.281 -16.309  -2.631
  575   1HB   ASP  70          2HB       ASP  70  -5.190 -15.689  -5.359
  576   2HB   ASP  70          1HB       ASP  70  -5.743 -17.324  -5.001
  577    H    VAL  71           H        VAL  71  -3.338 -16.671  -4.619
  578    HA   VAL  71           HA       VAL  71  -2.361 -18.645  -2.588
  579    HB   VAL  71           HB       VAL  71  -1.340 -18.721  -5.406
  580   1HG1  VAL  71          3HG1      VAL  71  -1.669 -20.530  -3.068
  581   2HG1  VAL  71          2HG1      VAL  71  -1.800 -21.271  -4.662
  582   3HG1  VAL  71          1HG1      VAL  71  -0.335 -20.400  -4.212
  583   1HG2  VAL  71          1HG2      VAL  71  -4.156 -19.291  -4.595
  584   2HG2  VAL  71          3HG2      VAL  71  -3.517 -18.803  -6.165
  585   3HG2  VAL  71          2HG2      VAL  71  -3.378 -20.480  -5.639
  586    H    LYS  72           H        LYS  72   0.195 -18.919  -2.992
  587    HA   LYS  72           HA       LYS  72   1.342 -16.158  -3.056
  588   1HB   LYS  72          2HB       LYS  72   1.304 -17.530  -0.840
  589   2HB   LYS  72          1HB       LYS  72   2.593 -18.472  -1.590
  590   1HG   LYS  72          2HG       LYS  72   3.846 -16.342  -1.993
  591   2HG   LYS  72          1HG       LYS  72   2.600 -15.483  -1.087
  592   1HD   LYS  72          2HD       LYS  72   4.426 -15.980   0.429
  593   2HD   LYS  72          1HD       LYS  72   3.057 -17.003   0.860
  594   1HE   LYS  72          2HE       LYS  72   4.237 -18.878   0.446
  595   2HE   LYS  72          1HE       LYS  72   4.710 -18.298  -1.151
  596   1HZ   LYS  72          1HZ       LYS  72   5.993 -17.428   1.379
  597   2HZ   LYS  72          3HZ       LYS  72   6.594 -18.668   0.390
  598   3HZ   LYS  72          2HZ       LYS  72   6.504 -17.077  -0.202
  599    H    SER  73           H        SER  73   2.391 -19.570  -3.386
  600    HA   SER  73           HA       SER  73   4.442 -18.738  -5.342
  601   1HB   SER  73          2HB       SER  73   4.626 -20.565  -3.426
  602   2HB   SER  73          1HB       SER  73   3.899 -21.606  -4.647
  603    HG   SER  73           HG       SER  73   6.420 -20.863  -4.433
  604    H    GLY  74           H        GLY  74   2.356 -18.073  -6.663
  605   1HA   GLY  74          2HA       GLY  74   1.096 -20.329  -8.080
  606   2HA   GLY  74          1HA       GLY  74   0.734 -18.620  -8.325
  607    H    SER  75           H        SER  75   2.640 -17.347  -9.310
  608    HA   SER  75           HA       SER  75   3.408 -18.669 -11.785
  609   1HB   SER  75          2HB       SER  75   2.843 -16.313 -11.836
  610   2HB   SER  75          1HB       SER  75   4.081 -15.948 -10.637
  611    HG   SER  75           HG       SER  75   4.322 -16.617 -13.345
  612    H    MET  76           H        MET  76   4.818 -18.550  -8.684
  613    HA   MET  76           HA       MET  76   6.781 -19.600  -7.936
  614   1HB   MET  76          2HB       MET  76   6.747 -20.684 -10.379
  615   2HB   MET  76          1HB       MET  76   8.110 -19.587 -10.610
  616   1HG   MET  76          2HG       MET  76   7.933 -21.389  -8.197
  617   2HG   MET  76          1HG       MET  76   8.641 -21.948  -9.712
  618   1HE   MET  76          2HE       MET  76  10.299 -21.391 -10.766
  619   2HE   MET  76          1HE       MET  76  11.244 -19.906 -10.695
  620   3HE   MET  76          3HE       MET  76  11.782 -21.345  -9.816
  621    H    LEU  77           H        LEU  77   7.330 -17.177 -10.534
  622    HA   LEU  77           HA       LEU  77   9.746 -16.131  -9.432
  623   1HB   LEU  77          2HB       LEU  77   7.684 -15.143 -11.363
  624   2HB   LEU  77          1HB       LEU  77   8.823 -13.975 -10.699
  625    HG   LEU  77           HG       LEU  77  10.330 -16.293 -11.423
  626   1HD1  LEU  77          1HD1      LEU  77   8.129 -15.601 -13.309
  627   2HD1  LEU  77          3HD1      LEU  77   9.721 -15.892 -14.011
  628   3HD1  LEU  77          2HD1      LEU  77   8.941 -17.143 -13.045
  629   1HD2  LEU  77          3HD2      LEU  77  10.864 -13.746 -11.414
  630   2HD2  LEU  77          2HD2      LEU  77  11.591 -14.742 -12.675
  631   3HD2  LEU  77          1HD2      LEU  77  10.179 -13.750 -13.040
  632    H    SER  78           H        SER  78   9.730 -15.568  -7.287
  633    HA   SER  78           HA       SER  78   8.152 -13.223  -6.498
  634   1HB   SER  78          2HB       SER  78   7.337 -14.508  -4.404
  635   2HB   SER  78          1HB       SER  78   6.480 -14.790  -5.917
  636    HG   SER  78           HG       SER  78   6.929 -16.795  -5.305
  637    H    ASN  79           H        ASN  79  10.209 -15.895  -5.306
  638    HA   ASN  79           HA       ASN  79  12.101 -15.862  -3.924
  639   1HB   ASN  79          2HB       ASN  79  12.455 -13.828  -5.723
  640   2HB   ASN  79          1HB       ASN  79  12.553 -12.950  -4.197
  641   1HD2  ASN  79          2HD2      ASN  79  15.933 -13.939  -3.983
  642   2HD2  ASN  79          1HD2      ASN  79  14.820 -12.657  -4.015
  643    H    ASN  80           H        ASN  80  10.928 -16.214  -1.980
  644    HA   ASN  80           HA       ASN  80  10.174 -15.704   0.180
  645   1HB   ASN  80          2HB       ASN  80  12.002 -13.366  -0.400
  646   2HB   ASN  80          1HB       ASN  80  11.161 -13.529   1.141
  647   1HD2  ASN  80          2HD2      ASN  80  13.478 -15.868   2.368
  648   2HD2  ASN  80          1HD2      ASN  80  12.251 -14.742   2.697
  649    H    ASP  81           H        ASP  81   8.898 -13.961   1.443
  650    HA   ASP  81           HA       ASP  81   6.783 -12.963  -0.330
  651   1HB   ASP  81          2HB       ASP  81   6.734 -13.959   2.196
  652   2HB   ASP  81          1HB       ASP  81   6.772 -12.231   2.550
  653    H    SER  82           H        SER  82   7.763 -11.251  -1.489
  654    HA   SER  82           HA       SER  82   8.160  -8.772   0.099
  655   1HB   SER  82          2HB       SER  82  10.099  -9.278  -2.113
  656   2HB   SER  82          1HB       SER  82  10.305  -8.345  -0.634
  657    HG   SER  82           HG       SER  82  10.874 -10.941  -1.141
  658    H    ARG  83           H        ARG  83   6.090  -9.833  -1.779
  659    HA   ARG  83           HA       ARG  83   6.155  -7.541  -3.680
  660   1HB   ARG  83          2HB       ARG  83   5.246  -8.977  -5.466
  661   2HB   ARG  83          1HB       ARG  83   6.822  -9.557  -4.936
  662   1HG   ARG  83          2HG       ARG  83   5.923 -11.567  -4.467
  663   2HG   ARG  83          1HG       ARG  83   4.864 -10.811  -3.276
  664   1HD   ARG  83          2HD       ARG  83   3.487 -10.130  -5.450
  665   2HD   ARG  83          1HD       ARG  83   4.302 -11.541  -6.123
  666    HE   ARG  83           HE       ARG  83   2.847 -11.840  -3.546
  667   1HH1  ARG  83          1HH2      ARG  83   4.053 -13.664  -5.953
  668   2HH1  ARG  83          2HH2      ARG  83   2.577 -14.454  -6.403
  669   1HH2  ARG  83          2HH1      ARG  83   0.565 -12.338  -4.534
  670   2HH2  ARG  83          1HH1      ARG  83   0.604 -13.703  -5.599
  671    H    TRP  84           H        TRP  84   4.139  -6.579  -4.001
  672    HA   TRP  84           HA       TRP  84   1.868  -7.764  -2.447
  673   1HB   TRP  84          2HB       TRP  84   2.630  -4.853  -2.824
  674   2HB   TRP  84          1HB       TRP  84   1.124  -5.394  -2.084
  675    HD1  TRP  84           HD1      TRP  84   4.866  -6.305  -1.610
  676    HE1  TRP  84           HE1      TRP  84   5.348  -6.400   0.921
  677    HE3  TRP  84           HE3      TRP  84   0.234  -5.160   0.214
  678    HZ2  TRP  84           HZ2      TRP  84   3.951  -6.049   3.392
  679    HZ3  TRP  84           HZ3      TRP  84  -0.161  -5.049   2.659
  680    HH2  TRP  84           HH2      TRP  84   1.691  -5.491   4.248
  681    H    GLU  85           H        GLU  85  -0.273  -7.263  -3.320
  682    HA   GLU  85           HA       GLU  85  -0.267  -6.473  -6.201
  683   1HB   GLU  85          2HB       GLU  85  -0.391  -8.985  -5.884
  684   2HB   GLU  85          1HB       GLU  85  -1.928  -8.734  -5.054
  685   1HG   GLU  85          2HG       GLU  85  -2.963  -7.862  -7.004
  686   2HG   GLU  85          1HG       GLU  85  -1.416  -7.625  -7.817
  687    H    PHE  86           H        PHE  86  -1.954  -5.115  -6.745
  688    HA   PHE  86           HA       PHE  86  -4.026  -4.631  -4.640
  689   1HB   PHE  86          2HB       PHE  86  -2.518  -2.666  -6.374
  690   2HB   PHE  86          1HB       PHE  86  -4.022  -2.239  -5.557
  691    HD1  PHE  86           HD2      PHE  86  -0.687  -3.811  -4.854
  692    HD2  PHE  86           HD1      PHE  86  -3.932  -1.421  -3.368
  693    HE1  PHE  86           HE2      PHE  86   0.566  -3.415  -2.751
  694    HE2  PHE  86           HE1      PHE  86  -2.678  -1.025  -1.266
  695    HZ   PHE  86           HZ       PHE  86  -0.428  -2.021  -0.957
  696    H    GLU  87           H        GLU  87  -5.948  -5.325  -5.413
  697    HA   GLU  87           HA       GLU  87  -6.511  -4.985  -8.331
  698   1HB   GLU  87          2HB       GLU  87  -6.573  -7.318  -6.958
  699   2HB   GLU  87          1HB       GLU  87  -8.228  -6.771  -6.685
  700   1HG   GLU  87          2HG       GLU  87  -8.811  -6.991  -8.888
  701   2HG   GLU  87          1HG       GLU  87  -7.215  -6.510  -9.465
  702    H    ASN  88           H        ASN  88  -9.039  -4.805  -8.654
  703    HA   ASN  88           HA       ASN  88 -10.250  -3.117  -6.521
  704   1HB   ASN  88          2HB       ASN  88  -9.055  -1.854  -8.540
  705   2HB   ASN  88          1HB       ASN  88 -10.563  -2.244  -9.366
  706   1HD2  ASN  88          2HD2      ASN  88 -11.468   0.929  -7.890
  707   2HD2  ASN  88          1HD2      ASN  88 -10.748   0.262  -9.274
  708    H    GLU  89           H        GLU  89 -12.530  -3.193  -6.499
  709    HA   GLU  89           HA       GLU  89 -13.688  -5.416  -8.095
  710   1HB   GLU  89          2HB       GLU  89 -13.964  -4.608  -5.400
  711   2HB   GLU  89          1HB       GLU  89 -15.509  -4.235  -6.161
  712   1HG   GLU  89          2HG       GLU  89 -15.994  -6.424  -5.813
  713   2HG   GLU  89          1HG       GLU  89 -14.950  -6.727  -7.201
  714    H    ARG  90           H        ARG  90 -14.625  -2.118  -7.049
  715    HA   ARG  90           HA       ARG  90 -15.868  -0.465  -8.154
  716   1HB   ARG  90          2HB       ARG  90 -14.109  -1.210  -9.990
  717   2HB   ARG  90          1HB       ARG  90 -15.536  -1.897 -10.768
  718   1HG   ARG  90          2HG       ARG  90 -15.287   0.344 -11.611
  719   2HG   ARG  90          1HG       ARG  90 -16.654   0.358 -10.498
  720   1HD   ARG  90          2HD       ARG  90 -15.630   2.024  -9.378
  721   2HD   ARG  90          1HD       ARG  90 -14.390   0.866  -8.894
  722    HE   ARG  90           HE       ARG  90 -13.076   1.584 -10.867
  723   1HH1  ARG  90          2HH1      ARG  90 -15.842   2.881 -11.853
  724   2HH1  ARG  90          1HH1      ARG  90 -15.344   4.540 -11.876
  725   1HH2  ARG  90          1HH2      ARG  90 -12.424   3.971 -10.100
  726   2HH2  ARG  90          2HH2      ARG  90 -13.412   5.156 -10.885
  727    H    HIS  91           H        HIS  91 -17.990  -0.135  -9.104
  728    HA   HIS  91           HA       HIS  91 -19.598  -2.621  -9.477
  729   1HB   HIS  91          2HB       HIS  91 -19.729  -1.262  -7.142
  730   2HB   HIS  91          1HB       HIS  91 -20.909  -0.344  -8.078
  731    HD1  HIS  91           HD1      HIS  91 -20.599  -3.349  -6.087
  732    HD2  HIS  91           HD2      HIS  91 -22.924  -2.198  -9.350
  733    HE1  HIS  91           HE1      HIS  91 -22.539  -4.975  -6.193
  734    H    ALA  92           HN       ALA  92 -20.463  -2.482 -11.479
  735    HA   ALA  92           HA       ALA  92 -21.439  -1.599 -13.416
  736   1HB   ALA  92          1HB       ALA  92 -22.437   0.203 -11.238
  737   2HB   ALA  92          3HB       ALA  92 -22.728   0.663 -12.915
  738   3HB   ALA  92          2HB       ALA  92 -23.341  -0.873 -12.301
   
  No H/Q in entry =         738
  Start of MODEL          28
 Raw file had  756 H/Q atoms
  Start of MODEL   28
    1   1H    ALA   1          3H        ALA   1 -16.981  13.629  -8.156
    2   2H    ALA   1          2H        ALA   1 -17.405  15.223  -8.566
    3   3H    ALA   1          1H        ALA   1 -16.041  14.495  -9.271
    4    HA   ALA   1           HA       ALA   1 -15.122  15.868  -7.662
    5   1HB   ALA   1          2HB       ALA   1 -17.492  14.959  -6.026
    6   2HB   ALA   1          1HB       ALA   1 -16.092  15.722  -5.270
    7   3HB   ALA   1          3HB       ALA   1 -17.035  16.602  -6.473
    8    H    ARG   2           H        ARG   2 -13.219  14.845  -7.286
    9    HA   ARG   2           HA       ARG   2 -13.306  12.138  -6.013
   10   1HB   ARG   2          2HB       ARG   2 -11.376  13.370  -7.984
   11   2HB   ARG   2          1HB       ARG   2 -10.971  11.927  -7.053
   12   1HG   ARG   2          2HG       ARG   2 -12.798  10.696  -7.996
   13   2HG   ARG   2          1HG       ARG   2 -13.494  12.150  -8.708
   14   1HD   ARG   2          2HD       ARG   2 -10.774  11.852  -9.624
   15   2HD   ARG   2          1HD       ARG   2 -11.660  10.354  -9.906
   16    HE   ARG   2           HE       ARG   2 -12.080  12.841 -11.312
   17   1HH1  ARG   2          1HH2      ARG   2 -14.717  12.991 -10.546
   18   2HH1  ARG   2          2HH2      ARG   2 -15.566  11.751 -11.407
   19   1HH2  ARG   2          2HH1      ARG   2 -12.700   9.967 -12.195
   20   2HH2  ARG   2          1HH1      ARG   2 -14.424  10.040 -12.338
   21    HA   PRO   3           HA       PRO   3 -11.008  13.879  -2.732
   22   1HB   PRO   3          2HB       PRO   3  -9.641  11.704  -1.765
   23   2HB   PRO   3          1HB       PRO   3 -11.372  11.974  -1.491
   24   1HG   PRO   3          2HG       PRO   3 -10.039  10.046  -3.325
   25   2HG   PRO   3          1HG       PRO   3 -11.631   9.949  -2.557
   26   1HD   PRO   3          2HD       PRO   3 -11.133  10.667  -5.240
   27   2HD   PRO   3          1HD       PRO   3 -12.661  10.887  -4.366
   28    H    ALA   4           H        ALA   4  -8.844  14.521  -2.098
   29    HA   ALA   4           HA       ALA   4  -7.004  14.879  -4.256
   30   1HB   ALA   4          2HB       ALA   4  -6.913  15.317  -1.291
   31   2HB   ALA   4          1HB       ALA   4  -5.414  15.418  -2.214
   32   3HB   ALA   4          3HB       ALA   4  -6.760  16.492  -2.597
   33    H    PHE   5           H        PHE   5  -7.356  12.336  -1.877
   34    HA   PHE   5           HA       PHE   5  -4.719  11.234  -2.033
   35   1HB   PHE   5          2HB       PHE   5  -6.332  10.582  -0.285
   36   2HB   PHE   5          1HB       PHE   5  -7.365   9.841  -1.505
   37    HD1  PHE   5           HD2      PHE   5  -3.985   9.666   0.060
   38    HD2  PHE   5           HD1      PHE   5  -6.945   7.651  -2.313
   39    HE1  PHE   5           HE2      PHE   5  -2.677   7.562   0.212
   40    HE2  PHE   5           HE1      PHE   5  -5.639   5.551  -2.163
   41    HZ   PHE   5           HZ       PHE   5  -3.506   5.505  -0.900
   42    H    VAL   6           H        VAL   6  -7.717  10.175  -3.699
   43    HA   VAL   6           HA       VAL   6  -6.445   8.304  -5.422
   44    HB   VAL   6           HB       VAL   6  -8.955   9.927  -5.961
   45   1HG1  VAL   6          2HG1      VAL   6  -7.949   8.736  -7.934
   46   2HG1  VAL   6          1HG1      VAL   6  -8.102   7.224  -7.042
   47   3HG1  VAL   6          3HG1      VAL   6  -9.544   8.133  -7.490
   48   1HG2  VAL   6          1HG2      VAL   6  -8.810   8.545  -3.791
   49   2HG2  VAL   6          3HG2      VAL   6 -10.167   8.201  -4.861
   50   3HG2  VAL   6          2HG2      VAL   6  -8.767   7.128  -4.836
   51    H    ASN   7           H        ASN   7  -6.776  11.795  -5.623
   52    HA   ASN   7           HA       ASN   7  -6.071  12.074  -8.403
   53   1HB   ASN   7          2HB       ASN   7  -5.949  13.911  -6.012
   54   2HB   ASN   7          1HB       ASN   7  -5.328  14.417  -7.584
   55   1HD2  ASN   7          2HD2      ASN   7  -8.698  14.048  -9.084
   56   2HD2  ASN   7          1HD2      ASN   7  -7.136  13.463  -9.402
   57    H    LYS   8           H        LYS   8  -4.191  11.845  -5.416
   58    HA   LYS   8           HA       LYS   8  -1.632  12.434  -6.645
   59   1HB   LYS   8          2HB       LYS   8  -2.253  10.918  -4.089
   60   2HB   LYS   8          1HB       LYS   8  -0.679  11.567  -4.545
   61   1HG   LYS   8          2HG       LYS   8  -1.323  13.763  -4.176
   62   2HG   LYS   8          1HG       LYS   8  -3.025  13.427  -4.491
   63   1HD   LYS   8          2HD       LYS   8  -3.430  12.727  -2.339
   64   2HD   LYS   8          1HD       LYS   8  -1.810  12.053  -2.144
   65   1HE   LYS   8          2HE       LYS   8  -0.889  14.083  -1.521
   66   2HE   LYS   8          1HE       LYS   8  -2.074  15.018  -2.431
   67   1HZ   LYS   8          3HZ       LYS   8  -2.746  13.450  -0.007
   68   2HZ   LYS   8          2HZ       LYS   8  -2.338  15.098   0.031
   69   3HZ   LYS   8          1HZ       LYS   8  -3.723  14.583  -0.807
   70    H    LEU   9           H        LEU   9  -3.587   9.555  -6.213
   71    HA   LEU   9           HA       LEU   9  -1.541   7.602  -6.669
   72   1HB   LEU   9          2HB       LEU   9  -3.902   7.211  -5.775
   73   2HB   LEU   9          1HB       LEU   9  -4.448   7.311  -7.448
   74    HG   LEU   9           HG       LEU   9  -2.732   5.521  -7.996
   75   1HD1  LEU   9          2HD1      LEU   9  -1.817   6.050  -5.444
   76   2HD1  LEU   9          1HD1      LEU   9  -2.730   4.560  -5.215
   77   3HD1  LEU   9          3HD1      LEU   9  -1.414   4.615  -6.386
   78   1HD2  LEU   9          2HD2      LEU   9  -4.984   4.894  -6.062
   79   2HD2  LEU   9          1HD2      LEU   9  -5.095   4.962  -7.822
   80   3HD2  LEU   9          3HD2      LEU   9  -4.156   3.685  -7.045
   81    H    TRP  10           H        TRP  10  -3.658   9.396  -8.894
   82    HA   TRP  10           HA       TRP  10  -2.938   7.934 -11.254
   83   1HB   TRP  10          2HB       TRP  10  -3.743  10.850 -11.124
   84   2HB   TRP  10          1HB       TRP  10  -3.913   9.759 -12.497
   85    HD1  TRP  10           HD1      TRP  10  -6.096  11.305 -10.285
   86    HE1  TRP  10           HE1      TRP  10  -8.135   9.866  -9.642
   87    HE3  TRP  10           HE3      TRP  10  -4.403   6.688 -11.682
   88    HZ2  TRP  10           HZ2      TRP  10  -8.941   7.123  -9.708
   89    HZ3  TRP  10           HZ3      TRP  10  -5.825   4.686 -11.377
   90    HH2  TRP  10           HH2      TRP  10  -8.090   4.895 -10.392
   91    H    SER  11           H        SER  11  -1.068  10.110  -9.359
   92    HA   SER  11           HA       SER  11   0.669  10.780 -11.679
   93   1HB   SER  11          2HB       SER  11   0.117  12.710 -10.366
   94   2HB   SER  11          1HB       SER  11   0.504  11.874  -8.864
   95    HG   SER  11           HG       SER  11   2.115  13.255 -10.496
   96    H    MET  12           H        MET  12   0.589   8.800  -8.798
   97    HA   MET  12           HA       MET  12   3.515   8.398  -8.846
   98   1HB   MET  12          2HB       MET  12   3.201   7.043  -6.877
   99   2HB   MET  12          1HB       MET  12   2.262   8.517  -6.698
  100   1HG   MET  12          2HG       MET  12   0.453   7.243  -6.276
  101   2HG   MET  12          1HG       MET  12   0.521   6.681  -7.942
  102   1HE   MET  12          2HE       MET  12   1.845   6.414  -4.458
  103   2HE   MET  12          1HE       MET  12   2.329   4.742  -4.206
  104   3HE   MET  12          3HE       MET  12   3.373   5.839  -5.121
  105    H    VAL  13           H        VAL  13   0.613   6.715  -9.905
  106    HA   VAL  13           HA       VAL  13   2.142   4.265 -10.489
  107    HB   VAL  13           HB       VAL  13  -0.643   4.683 -11.528
  108   1HG1  VAL  13          2HG1      VAL  13   0.917   2.372 -10.344
  109   2HG1  VAL  13          1HG1      VAL  13  -0.752   2.266 -10.904
  110   3HG1  VAL  13          3HG1      VAL  13   0.541   2.624 -12.048
  111   1HG2  VAL  13          3HG2      VAL  13   0.120   4.855  -8.705
  112   2HG2  VAL  13          2HG2      VAL  13  -1.448   5.131  -9.455
  113   3HG2  VAL  13          1HG2      VAL  13  -0.965   3.499  -9.007
  114    H    ASN  14           H        ASN  14   1.711   7.235 -12.035
  115    HA   ASN  14           HA       ASN  14   1.367   6.493 -14.760
  116   1HB   ASN  14          2HB       ASN  14   2.063   8.859 -13.271
  117   2HB   ASN  14          1HB       ASN  14   3.172   8.702 -14.631
  118   1HD2  ASN  14          2HD2      ASN  14   0.241   8.604 -16.956
  119   2HD2  ASN  14          1HD2      ASN  14   1.510   7.540 -16.585
  120    H    ASP  15           H        ASP  15   4.058   6.088 -12.605
  121    HA   ASP  15           HA       ASP  15   6.143   5.088 -12.914
  122   1HB   ASP  15          2HB       ASP  15   5.119   4.290 -15.652
  123   2HB   ASP  15          1HB       ASP  15   6.401   3.518 -14.722
  124    H    LYS  16           H        LYS  16   5.671   7.882 -13.733
  125    HA   LYS  16           HA       LYS  16   7.419   8.198 -16.100
  126   1HB   LYS  16          2HB       LYS  16   5.274   9.664 -15.177
  127   2HB   LYS  16          1HB       LYS  16   6.643  10.631 -14.629
  128   1HG   LYS  16          2HG       LYS  16   7.558  10.280 -17.046
  129   2HG   LYS  16          1HG       LYS  16   5.892   9.852 -17.440
  130   1HD   LYS  16          2HD       LYS  16   5.342  12.083 -16.132
  131   2HD   LYS  16          1HD       LYS  16   7.009  12.484 -16.541
  132   1HE   LYS  16          2HE       LYS  16   6.194  11.581 -18.942
  133   2HE   LYS  16          1HE       LYS  16   4.648  12.162 -18.323
  134   1HZ   LYS  16          1HZ       LYS  16   6.014  14.239 -17.688
  135   2HZ   LYS  16          3HZ       LYS  16   7.121  13.671 -18.841
  136   3HZ   LYS  16          2HZ       LYS  16   5.525  14.032 -19.303
  137    H    SER  17           H        SER  17   7.357   9.642 -12.814
  138    HA   SER  17           HA       SER  17  10.245  10.152 -12.952
  139   1HB   SER  17          2HB       SER  17   8.273  11.474 -11.695
  140   2HB   SER  17          1HB       SER  17   8.759  10.408 -10.380
  141    HG   SER  17           HG       SER  17   9.918  12.617 -11.113
  142    H    ASN  18           H        ASN  18   8.057   7.913 -11.320
  143    HA   ASN  18           HA       ASN  18  10.402   6.557 -10.073
  144   1HB   ASN  18          2HB       ASN  18   8.441   5.142  -9.001
  145   2HB   ASN  18          1HB       ASN  18   8.837   6.730  -8.357
  146   1HD2  ASN  18          2HD2      ASN  18   5.523   7.809  -8.844
  147   2HD2  ASN  18          1HD2      ASN  18   6.910   7.818  -7.872
  148    H    GLU  19           H        GLU  19  10.220   6.338 -12.818
  149    HA   GLU  19           HA       GLU  19   8.802   3.989 -13.715
  150   1HB   GLU  19          2HB       GLU  19  10.330   4.179 -15.703
  151   2HB   GLU  19          1HB       GLU  19   9.491   5.678 -15.318
  152   1HG   GLU  19          2HG       GLU  19  11.460   6.742 -15.103
  153   2HG   GLU  19          1HG       GLU  19  11.914   5.645 -13.799
  154    H    LYS  20           H        LYS  20   9.393   2.365 -12.125
  155    HA   LYS  20           HA       LYS  20  11.231   0.440 -12.806
  156   1HB   LYS  20          2HB       LYS  20  12.618   2.713 -11.535
  157   2HB   LYS  20          1HB       LYS  20  12.949   1.169 -10.751
  158   1HG   LYS  20          2HG       LYS  20  13.031   0.795 -13.608
  159   2HG   LYS  20          1HG       LYS  20  14.050   2.167 -13.184
  160   1HD   LYS  20          2HD       LYS  20  14.242  -0.317 -11.524
  161   2HD   LYS  20          1HD       LYS  20  15.016  -0.299 -13.108
  162   1HE   LYS  20          2HE       LYS  20  16.072   1.927 -12.397
  163   2HE   LYS  20          1HE       LYS  20  15.540   1.531 -10.763
  164   1HZ   LYS  20          3HZ       LYS  20  17.155  -0.321 -12.414
  165   2HZ   LYS  20          2HZ       LYS  20  17.854   0.817 -11.364
  166   3HZ   LYS  20          1HZ       LYS  20  16.850  -0.408 -10.748
  167    H    PHE  21           H        PHE  21   9.690   2.210 -10.196
  168    HA   PHE  21           HA       PHE  21   9.839  -0.167  -8.425
  169   1HB   PHE  21          2HB       PHE  21   8.621   2.552  -7.870
  170   2HB   PHE  21          1HB       PHE  21   8.967   1.290  -6.691
  171    HD1  PHE  21           HD1      PHE  21  11.484   0.408  -6.731
  172    HD2  PHE  21           HD2      PHE  21  10.193   4.247  -8.165
  173    HE1  PHE  21           HE1      PHE  21  13.792   1.277  -6.479
  174    HE2  PHE  21           HE2      PHE  21  12.502   5.116  -7.912
  175    HZ   PHE  21           HZ       PHE  21  14.303   3.632  -7.068
  176    H    ILE  22           H        ILE  22   7.177   2.121  -9.142
  177    HA   ILE  22           HA       ILE  22   5.264  -0.101  -8.830
  178    HB   ILE  22           HB       ILE  22   4.844   2.060  -7.716
  179   1HG1  ILE  22          2HG1      ILE  22   2.790   1.797  -9.908
  180   2HG1  ILE  22          1HG1      ILE  22   2.989   0.524  -8.704
  181   1HG2  ILE  22          2HG2      ILE  22   5.516   3.081 -10.351
  182   2HG2  ILE  22          1HG2      ILE  22   3.956   3.709  -9.819
  183   3HG2  ILE  22          3HG2      ILE  22   5.390   3.946  -8.821
  184   1HD1  ILE  22          2HD1      ILE  22   2.930   2.708  -7.087
  185   2HD1  ILE  22          1HD1      ILE  22   1.884   3.256  -8.397
  186   3HD1  ILE  22          3HD1      ILE  22   1.495   1.779  -7.516
  187    H    HIS  23           H        HIS  23   3.534  -0.422 -10.422
  188    HA   HIS  23           HA       HIS  23   3.722   0.661 -13.092
  189   1HB   HIS  23          2HB       HIS  23   5.679  -1.016 -12.938
  190   2HB   HIS  23          1HB       HIS  23   4.436  -2.268 -12.905
  191    HD1  HIS  23           HD1      HIS  23   4.016  -3.166 -15.190
  192    HD2  HIS  23           HD2      HIS  23   4.931   0.900 -15.298
  193    HE1  HIS  23           HE1      HIS  23   3.891  -2.467 -17.621
  194    H    TRP  24           H        TRP  24   2.083  -0.393 -14.532
  195    HA   TRP  24           HA       TRP  24  -0.271  -1.180 -12.944
  196   1HB   TRP  24          2HB       TRP  24   0.191  -0.461 -15.839
  197   2HB   TRP  24          1HB       TRP  24  -1.338  -1.157 -15.305
  198    HD1  TRP  24           HD1      TRP  24   0.935   1.879 -14.641
  199    HE1  TRP  24           HE1      TRP  24  -0.525   3.808 -13.749
  200    HE3  TRP  24           HE3      TRP  24  -3.554  -0.525 -14.240
  201    HZ2  TRP  24           HZ2      TRP  24  -3.239   4.269 -12.968
  202    HZ3  TRP  24           HZ3      TRP  24  -5.557   0.682 -13.421
  203    HH2  TRP  24           HH2      TRP  24  -5.405   3.075 -12.786
  204    H    SER  25           H        SER  25  -1.653  -3.019 -13.974
  205    HA   SER  25           HA       SER  25   0.093  -5.391 -14.173
  206   1HB   SER  25          2HB       SER  25  -1.892  -5.403 -12.678
  207   2HB   SER  25          1HB       SER  25  -2.931  -5.191 -14.084
  208    HG   SER  25           HG       SER  25  -2.792  -7.374 -13.630
  209    H    THR  26           H        THR  26  -2.602  -3.957 -16.044
  210    HA   THR  26           HA       THR  26  -1.325  -4.923 -18.534
  211    HB   THR  26           HB       THR  26  -4.211  -5.576 -17.860
  212    HG1  THR  26           HG1      THR  26  -3.392  -7.254 -16.942
  213   1HG2  THR  26          3HG2      THR  26  -2.597  -5.618 -20.310
  214   2HG2  THR  26          2HG2      THR  26  -3.365  -7.168 -19.960
  215   3HG2  THR  26          1HG2      THR  26  -4.348  -5.713 -20.114
  216    H    SER  27           H        SER  27  -1.461  -2.305 -17.662
  217    HA   SER  27           HA       SER  27  -2.107  -0.170 -18.378
  218   1HB   SER  27          2HB       SER  27  -1.708  -1.261 -20.630
  219   2HB   SER  27          1HB       SER  27  -3.432  -1.616 -20.691
  220    HG   SER  27           HG       SER  27  -3.709   0.362 -21.313
  221    H    GLY  28           H        GLY  28  -3.597  -0.529 -16.402
  222   1HA   GLY  28          2HA       GLY  28  -5.693   0.380 -15.644
  223   2HA   GLY  28          1HA       GLY  28  -6.365   0.105 -17.253
  224    H    GLU  29           H        GLU  29  -5.465  -1.478 -14.225
  225    HA   GLU  29           HA       GLU  29  -7.658  -3.325 -14.375
  226   1HB   GLU  29          2HB       GLU  29  -5.182  -4.122 -15.691
  227   2HB   GLU  29          1HB       GLU  29  -5.589  -5.230 -14.382
  228   1HG   GLU  29          2HG       GLU  29  -7.785  -4.384 -16.226
  229   2HG   GLU  29          1HG       GLU  29  -6.605  -5.550 -16.824
  230    H    SER  30           H        SER  30  -4.290  -3.185 -13.154
  231    HA   SER  30           HA       SER  30  -5.198  -2.898 -10.412
  232   1HB   SER  30          2HB       SER  30  -4.614  -5.025  -9.541
  233   2HB   SER  30          1HB       SER  30  -5.529  -5.390 -10.997
  234    HG   SER  30           HG       SER  30  -2.976  -5.975 -10.382
  235    H    ILE  31           H        ILE  31  -3.390  -2.553  -8.954
  236    HA   ILE  31           HA       ILE  31  -0.985  -1.597 -10.383
  237    HB   ILE  31           HB       ILE  31  -1.602  -1.400  -7.419
  238   1HG1  ILE  31          2HG1      ILE  31  -2.077   0.797  -9.430
  239   2HG1  ILE  31          1HG1      ILE  31  -3.339  -0.383  -9.086
  240   1HG2  ILE  31          2HG2      ILE  31   0.466  -0.336  -9.270
  241   2HG2  ILE  31          1HG2      ILE  31  -0.148   0.781  -8.052
  242   3HG2  ILE  31          3HG2      ILE  31   0.588  -0.743  -7.558
  243   1HD1  ILE  31          1HD1      ILE  31  -2.434   0.369  -6.557
  244   2HD1  ILE  31          3HD1      ILE  31  -2.434   1.876  -7.473
  245   3HD1  ILE  31          2HD1      ILE  31  -3.912   0.927  -7.338
  246    H    VAL  32           H        VAL  32   1.193  -2.205  -9.535
  247    HA   VAL  32           HA       VAL  32   1.236  -4.820  -8.101
  248    HB   VAL  32           HB       VAL  32   2.774  -4.264 -10.657
  249   1HG1  VAL  32          1HG1      VAL  32   3.827  -5.819  -8.986
  250   2HG1  VAL  32          3HG1      VAL  32   2.391  -6.837  -9.101
  251   3HG1  VAL  32          2HG1      VAL  32   3.417  -6.597 -10.514
  252   1HG2  VAL  32          2HG2      VAL  32   0.319  -4.521 -11.018
  253   2HG2  VAL  32          1HG2      VAL  32   1.238  -5.861 -11.704
  254   3HG2  VAL  32          3HG2      VAL  32   0.382  -6.072 -10.177
  255    H    VAL  33           H        VAL  33   2.906  -4.987  -6.657
  256    HA   VAL  33           HA       VAL  33   5.062  -2.913  -6.786
  257    HB   VAL  33           HB       VAL  33   3.752  -4.044  -4.289
  258   1HG1  VAL  33          1HG1      VAL  33   5.901  -1.929  -4.676
  259   2HG1  VAL  33          3HG1      VAL  33   5.117  -2.296  -3.139
  260   3HG1  VAL  33          2HG1      VAL  33   6.118  -3.513  -3.932
  261   1HG2  VAL  33          2HG2      VAL  33   3.585  -1.308  -5.592
  262   2HG2  VAL  33          1HG2      VAL  33   2.275  -2.481  -5.463
  263   3HG2  VAL  33          3HG2      VAL  33   2.917  -1.713  -4.010
  264    HA   PRO  34           HA       PRO  34   6.974  -7.038  -6.786
  265   1HB   PRO  34          2HB       PRO  34   9.207  -6.335  -8.214
  266   2HB   PRO  34          1HB       PRO  34   7.691  -6.857  -8.969
  267   1HG   PRO  34          2HG       PRO  34   8.854  -4.124  -8.787
  268   2HG   PRO  34          1HG       PRO  34   7.733  -4.793  -9.986
  269   1HD   PRO  34          2HD       PRO  34   7.046  -3.100  -7.825
  270   2HD   PRO  34          1HD       PRO  34   5.916  -4.015  -8.843
  271    H    ASN  35           H        ASN  35   8.325  -3.841  -6.155
  272    HA   ASN  35           HA       ASN  35   9.972  -5.036  -3.966
  273   1HB   ASN  35          2HB       ASN  35  10.790  -3.208  -6.179
  274   2HB   ASN  35          1HB       ASN  35  11.485  -2.913  -4.586
  275   1HD2  ASN  35          2HD2      ASN  35  12.964  -6.296  -4.525
  276   2HD2  ASN  35          1HD2      ASN  35  11.971  -5.357  -3.520
  277    H    ARG  36           H        ARG  36   8.265  -4.400  -2.496
  278    HA   ARG  36           HA       ARG  36   7.546  -1.551  -2.325
  279   1HB   ARG  36          2HB       ARG  36   6.015  -3.594  -1.806
  280   2HB   ARG  36          1HB       ARG  36   6.852  -3.622  -0.253
  281   1HG   ARG  36          2HG       ARG  36   6.241  -1.256   0.120
  282   2HG   ARG  36          1HG       ARG  36   5.388  -1.238  -1.422
  283   1HD   ARG  36          2HD       ARG  36   3.555  -1.962  -0.340
  284   2HD   ARG  36          1HD       ARG  36   4.390  -3.486  -0.036
  285    HE   ARG  36           HE       ARG  36   4.113  -1.248   1.881
  286   1HH1  ARG  36          1HH2      ARG  36   6.895  -2.488   1.891
  287   2HH1  ARG  36          2HH2      ARG  36   6.715  -3.710   3.106
  288   1HH2  ARG  36          2HH1      ARG  36   3.250  -3.604   3.074
  289   2HH2  ARG  36          1HH1      ARG  36   4.652  -4.341   3.776
  290    H    GLU  37           H        GLU  37   9.808  -3.753  -0.845
  291    HA   GLU  37           HA       GLU  37  10.288  -2.298   1.585
  292   1HB   GLU  37          2HB       GLU  37  11.040  -4.660   1.106
  293   2HB   GLU  37          1HB       GLU  37  12.282  -3.988   0.049
  294   1HG   GLU  37          2HG       GLU  37  13.571  -3.306   1.793
  295   2HG   GLU  37          1HG       GLU  37  12.182  -2.733   2.716
  296    H    ARG  38           H        ARG  38  11.411  -1.882  -1.711
  297    HA   ARG  38           HA       ARG  38  13.342   0.215  -0.848
  298   1HB   ARG  38          2HB       ARG  38  14.135  -1.460  -2.485
  299   2HB   ARG  38          1HB       ARG  38  12.824  -1.019  -3.578
  300   1HG   ARG  38          2HG       ARG  38  13.714   1.228  -3.831
  301   2HG   ARG  38          1HG       ARG  38  14.947   0.920  -2.606
  302   1HD   ARG  38          2HD       ARG  38  14.851  -0.988  -4.882
  303   2HD   ARG  38          1HD       ARG  38  15.417   0.643  -5.251
  304    HE   ARG  38           HE       ARG  38  17.106   0.285  -3.381
  305   1HH1  ARG  38          1HH2      ARG  38  17.406  -1.811  -1.991
  306   2HH1  ARG  38          2HH2      ARG  38  17.857  -3.172  -2.962
  307   1HH2  ARG  38          2HH1      ARG  38  16.882  -1.698  -5.947
  308   2HH2  ARG  38          1HH1      ARG  38  17.559  -3.109  -5.204
  309    H    PHE  39           H        PHE  39  10.432  -0.254  -2.829
  310    HA   PHE  39           HA       PHE  39  10.183   2.329  -3.938
  311   1HB   PHE  39          2HB       PHE  39   8.661   0.729  -4.755
  312   2HB   PHE  39          1HB       PHE  39   8.206   0.196  -3.141
  313    HD1  PHE  39           HD2      PHE  39   6.677   1.545  -1.752
  314    HD2  PHE  39           HD1      PHE  39   7.602   2.657  -5.795
  315    HE1  PHE  39           HE2      PHE  39   4.740   3.092  -1.769
  316    HE2  PHE  39           HE1      PHE  39   5.667   4.207  -5.812
  317    HZ   PHE  39           HZ       PHE  39   4.241   4.425  -3.797
  318    H    VAL  40           H        VAL  40   8.809   1.141  -0.851
  319    HA   VAL  40           HA       VAL  40   7.612   3.545   0.005
  320    HB   VAL  40           HB       VAL  40   8.982   1.452   1.728
  321   1HG1  VAL  40          3HG1      VAL  40   7.883   3.931   2.467
  322   2HG1  VAL  40          2HG1      VAL  40   6.633   2.751   2.859
  323   3HG1  VAL  40          1HG1      VAL  40   8.250   2.581   3.539
  324   1HG2  VAL  40          1HG2      VAL  40   7.087   0.787   0.042
  325   2HG2  VAL  40          3HG2      VAL  40   6.976   0.233   1.711
  326   3HG2  VAL  40          2HG2      VAL  40   6.026   1.618   1.177
  327    H    GLN  41           H        GLN  41  10.791   2.332   1.078
  328    HA   GLN  41           HA       GLN  41  11.589   4.749   2.319
  329   1HB   GLN  41          2HB       GLN  41  13.853   3.791   2.327
  330   2HB   GLN  41          1HB       GLN  41  12.639   2.612   2.829
  331   1HG   GLN  41          2HG       GLN  41  12.568   1.739   0.522
  332   2HG   GLN  41          1HG       GLN  41  13.829   2.879   0.073
  333   1HE2  GLN  41          2HE2      GLN  41  16.015   0.153   0.828
  334   2HE2  GLN  41          1HE2      GLN  41  15.283   1.029  -0.428
  335    H    GLU  42           H        GLU  42  11.351   4.156  -1.044
  336    HA   GLU  42           HA       GLU  42  13.231   6.432  -1.541
  337   1HB   GLU  42          2HB       GLU  42  12.684   3.963  -3.192
  338   2HB   GLU  42          1HB       GLU  42  13.466   5.393  -3.866
  339   1HG   GLU  42          2HG       GLU  42  14.506   4.247  -1.298
  340   2HG   GLU  42          1HG       GLU  42  14.925   3.457  -2.820
  341    H    VAL  43           H        VAL  43   9.991   5.917  -1.405
  342    HA   VAL  43           HA       VAL  43   9.519   8.030  -3.419
  343    HB   VAL  43           HB       VAL  43   8.010   5.396  -3.571
  344   1HG1  VAL  43          1HG1      VAL  43   7.882   8.008  -5.087
  345   2HG1  VAL  43          3HG1      VAL  43   7.292   6.502  -5.791
  346   3HG1  VAL  43          2HG1      VAL  43   6.565   7.128  -4.312
  347   1HG2  VAL  43          1HG2      VAL  43  10.200   6.583  -5.304
  348   2HG2  VAL  43          3HG2      VAL  43  10.256   5.062  -4.414
  349   3HG2  VAL  43          2HG2      VAL  43   9.183   5.232  -5.804
  350    H    LEU  44           H        LEU  44   8.076   5.927  -0.923
  351    HA   LEU  44           HA       LEU  44   5.600   7.245  -0.646
  352   1HB   LEU  44          2HB       LEU  44   6.140   5.137   0.501
  353   2HB   LEU  44          1HB       LEU  44   7.289   5.971   1.540
  354    HG   LEU  44           HG       LEU  44   5.436   7.391   2.410
  355   1HD1  LEU  44          1HD1      LEU  44   3.896   5.752   0.422
  356   2HD1  LEU  44          3HD1      LEU  44   3.090   6.318   1.886
  357   3HD1  LEU  44          2HD1      LEU  44   3.793   7.479   0.760
  358   1HD2  LEU  44          2HD2      LEU  44   6.136   5.142   3.419
  359   2HD2  LEU  44          1HD2      LEU  44   4.531   5.724   3.858
  360   3HD2  LEU  44          3HD2      LEU  44   4.708   4.464   2.638
  361    HA   PRO  45           HA       PRO  45   7.536  10.177   2.618
  362   1HB   PRO  45          2HB       PRO  45  10.237  10.639   2.526
  363   2HB   PRO  45          1HB       PRO  45   9.476   9.459   3.607
  364   1HG   PRO  45          2HG       PRO  45  10.993   8.991   1.080
  365   2HG   PRO  45          1HG       PRO  45  10.847   7.959   2.514
  366   1HD   PRO  45          2HD       PRO  45   9.463   7.563   0.130
  367   2HD   PRO  45          1HD       PRO  45   8.994   6.901   1.705
  368    H    LYS  46           H        LYS  46   9.051   9.961  -0.577
  369    HA   LYS  46           HA       LYS  46   9.542  12.763  -0.948
  370   1HB   LYS  46          2HB       LYS  46   9.820  10.397  -2.469
  371   2HB   LYS  46          1HB       LYS  46   8.737  11.425  -3.404
  372   1HG   LYS  46          2HG       LYS  46  10.362  13.279  -3.243
  373   2HG   LYS  46          1HG       LYS  46  11.448  12.242  -2.318
  374   1HD   LYS  46          2HD       LYS  46  11.774  10.767  -4.174
  375   2HD   LYS  46          1HD       LYS  46  10.452  11.506  -5.079
  376   1HE   LYS  46          2HE       LYS  46  12.176  12.648  -6.071
  377   2HE   LYS  46          1HE       LYS  46  11.972  13.695  -4.667
  378   1HZ   LYS  46          3HZ       LYS  46  13.793  11.359  -4.665
  379   2HZ   LYS  46          2HZ       LYS  46  14.298  12.913  -5.131
  380   3HZ   LYS  46          1HZ       LYS  46  13.734  12.639  -3.553
  381    H    TYR  47           H        TYR  47   6.651  10.894  -0.823
  382    HA   TYR  47           HA       TYR  47   5.019  12.811  -2.331
  383   1HB   TYR  47          2HB       TYR  47   4.398  10.277  -0.797
  384   2HB   TYR  47          1HB       TYR  47   3.178  11.238  -1.615
  385    HD1  TYR  47           HD2      TYR  47   6.507  10.965  -3.260
  386    HD2  TYR  47           HD1      TYR  47   2.581   9.247  -2.880
  387    HE1  TYR  47           HE2      TYR  47   6.858   9.682  -5.348
  388    HE2  TYR  47           HE1      TYR  47   2.960   7.965  -4.939
  389    HH   TYR  47           HH       TYR  47   5.223   7.093  -6.193
  390    H    PHE  48           H        PHE  48   4.609  11.312   0.889
  391    HA   PHE  48           HA       PHE  48   3.266  13.784   1.828
  392   1HB   PHE  48          2HB       PHE  48   3.537  11.091   3.188
  393   2HB   PHE  48          1HB       PHE  48   2.460  12.400   3.665
  394    HD1  PHE  48           HD1      PHE  48   1.030  13.339   1.511
  395    HD2  PHE  48           HD2      PHE  48   2.527   9.348   2.039
  396    HE1  PHE  48           HE1      PHE  48  -0.691  12.486  -0.059
  397    HE2  PHE  48           HE2      PHE  48   0.807   8.494   0.470
  398    HZ   PHE  48           HZ       PHE  48  -0.801  10.064  -0.580
  399    H    LYS  49           H        LYS  49   6.179  11.930   2.354
  400    HA   LYS  49           HA       LYS  49   8.177  12.584   3.415
  401   1HB   LYS  49          2HB       LYS  49   6.691  14.888   4.715
  402   2HB   LYS  49          1HB       LYS  49   8.430  14.668   4.583
  403   1HG   LYS  49          2HG       LYS  49   8.366  14.953   2.187
  404   2HG   LYS  49          1HG       LYS  49   6.605  14.955   2.180
  405   1HD   LYS  49          2HD       LYS  49   8.157  16.981   3.787
  406   2HD   LYS  49          1HD       LYS  49   7.800  17.246   2.080
  407   1HE   LYS  49          2HE       LYS  49   5.536  16.395   3.822
  408   2HE   LYS  49          1HE       LYS  49   6.126  18.044   4.019
  409   1HZ   LYS  49          1HZ       LYS  49   5.913  18.302   1.581
  410   2HZ   LYS  49          3HZ       LYS  49   5.176  16.776   1.511
  411   3HZ   LYS  49          2HZ       LYS  49   4.430  18.040   2.367
  412    H    HIS  50           H        HIS  50   5.481  13.343   5.675
  413    HA   HIS  50           HA       HIS  50   6.768  11.486   7.612
  414   1HB   HIS  50          2HB       HIS  50   4.766  13.732   7.970
  415   2HB   HIS  50          1HB       HIS  50   5.228  12.632   9.269
  416    HD1  HIS  50           HD1      HIS  50   6.174  15.777   7.792
  417    HD2  HIS  50           HD2      HIS  50   8.248  12.654   9.613
  418    HE1  HIS  50           HE1      HIS  50   8.440  16.704   8.442
  419    H    SER  51           H        SER  51   5.676   9.893   5.898
  420    HA   SER  51           HA       SER  51   3.057   9.104   7.091
  421   1HB   SER  51          2HB       SER  51   2.804  10.268   4.831
  422   2HB   SER  51          1HB       SER  51   3.641   8.885   4.131
  423    HG   SER  51           HG       SER  51   1.611   8.207   4.062
  424    H    ASN  52           H        ASN  52   2.547   6.740   6.268
  425    HA   ASN  52           HA       ASN  52   5.058   5.165   5.999
  426   1HB   ASN  52          2HB       ASN  52   3.091   5.080   8.252
  427   2HB   ASN  52          1HB       ASN  52   3.823   3.563   7.727
  428   1HD2  ASN  52          2HD2      ASN  52   5.970   5.681  10.221
  429   2HD2  ASN  52          1HD2      ASN  52   4.277   5.573  10.165
  430    H    PHE  53           H        PHE  53   4.627   2.918   5.319
  431    HA   PHE  53           HA       PHE  53   2.886   2.687   3.126
  432   1HB   PHE  53          2HB       PHE  53   3.225   0.233   3.338
  433   2HB   PHE  53          1HB       PHE  53   4.736   1.125   3.499
  434    HD1  PHE  53           HD2      PHE  53   2.170  -0.837   5.267
  435    HD2  PHE  53           HD1      PHE  53   5.872   1.304   5.666
  436    HE1  PHE  53           HE2      PHE  53   2.517  -1.853   7.502
  437    HE2  PHE  53           HE1      PHE  53   6.219   0.288   7.902
  438    HZ   PHE  53           HZ       PHE  53   4.540  -1.290   8.821
  439    H    ALA  54           H        ALA  54   2.281   1.948   6.525
  440    HA   ALA  54           HA       ALA  54  -0.208   0.588   6.210
  441   1HB   ALA  54          1HB       ALA  54   1.363   1.102   8.329
  442   2HB   ALA  54          3HB       ALA  54   0.165   2.375   8.565
  443   3HB   ALA  54          2HB       ALA  54  -0.341   0.686   8.505
  444    H    SER  55           H        SER  55   0.539   4.048   6.647
  445    HA   SER  55           HA       SER  55  -2.141   4.998   6.772
  446   1HB   SER  55          2HB       SER  55   0.525   6.150   6.245
  447   2HB   SER  55          1HB       SER  55  -0.809   7.040   5.513
  448    HG   SER  55           HG       SER  55  -0.940   7.833   7.469
  449    H    PHE  56           H        PHE  56   0.001   4.419   3.999
  450    HA   PHE  56           HA       PHE  56  -1.684   5.439   1.945
  451   1HB   PHE  56          2HB       PHE  56   0.726   4.699   1.714
  452   2HB   PHE  56          1HB       PHE  56   0.150   3.035   1.733
  453    HD1  PHE  56           HD2      PHE  56  -1.176   6.149   0.117
  454    HD2  PHE  56           HD1      PHE  56   0.289   2.150  -0.422
  455    HE1  PHE  56           HE2      PHE  56  -1.656   6.304  -2.311
  456    HE2  PHE  56           HE1      PHE  56  -0.190   2.302  -2.850
  457    HZ   PHE  56           HZ       PHE  56  -1.163   4.379  -3.796
  458    H    VAL  57           H        VAL  57  -1.368   2.101   3.141
  459    HA   VAL  57           HA       VAL  57  -3.433   0.960   1.554
  460    HB   VAL  57           HB       VAL  57  -2.568   0.104   4.334
  461   1HG1  VAL  57          3HG1      VAL  57  -4.156  -1.141   2.117
  462   2HG1  VAL  57          2HG1      VAL  57  -3.141  -2.179   3.117
  463   3HG1  VAL  57          1HG1      VAL  57  -4.419  -1.218   3.859
  464   1HG2  VAL  57          2HG2      VAL  57  -0.864   0.410   2.248
  465   2HG2  VAL  57          1HG2      VAL  57  -0.698  -0.883   3.433
  466   3HG2  VAL  57          3HG2      VAL  57  -1.484  -1.199   1.888
  467    H    ARG  58           H        ARG  58  -3.574   2.965   4.402
  468    HA   ARG  58           HA       ARG  58  -6.221   2.181   5.265
  469   1HB   ARG  58          2HB       ARG  58  -4.248   3.678   6.379
  470   2HB   ARG  58          1HB       ARG  58  -5.307   4.957   5.788
  471   1HG   ARG  58          2HG       ARG  58  -7.090   4.293   7.139
  472   2HG   ARG  58          1HG       ARG  58  -6.492   2.641   7.289
  473   1HD   ARG  58          2HD       ARG  58  -4.514   3.619   8.579
  474   2HD   ARG  58          1HD       ARG  58  -5.422   5.128   8.640
  475    HE   ARG  58           HE       ARG  58  -6.208   2.593   9.984
  476   1HH1  ARG  58          1HH2      ARG  58  -8.515   4.312   9.001
  477   2HH1  ARG  58          2HH2      ARG  58  -8.839   5.277  10.402
  478   1HH2  ARG  58          2HH1      ARG  58  -5.817   4.536  11.934
  479   2HH2  ARG  58          1HH1      ARG  58  -7.309   5.405  12.064
  480    H    GLN  59           H        GLN  59  -4.970   4.840   3.241
  481    HA   GLN  59           HA       GLN  59  -7.527   6.046   2.723
  482   1HB   GLN  59          2HB       GLN  59  -4.845   6.125   1.359
  483   2HB   GLN  59          1HB       GLN  59  -6.238   6.914   0.624
  484   1HG   GLN  59          2HG       GLN  59  -5.191   7.450   3.422
  485   2HG   GLN  59          1HG       GLN  59  -4.933   8.488   2.020
  486   1HE2  GLN  59          2HE2      GLN  59  -8.451   9.466   1.898
  487   2HE2  GLN  59          1HE2      GLN  59  -7.207   8.996   0.842
  488    H    LEU  60           H        LEU  60  -5.561   3.766   0.784
  489    HA   LEU  60           HA       LEU  60  -7.414   3.506  -1.369
  490   1HB   LEU  60          2HB       LEU  60  -5.302   1.615  -0.306
  491   2HB   LEU  60          1HB       LEU  60  -6.203   1.323  -1.787
  492    HG   LEU  60           HG       LEU  60  -4.737   3.919  -1.344
  493   1HD1  LEU  60          1HD1      LEU  60  -3.676   1.274  -2.346
  494   2HD1  LEU  60          3HD1      LEU  60  -2.950   2.806  -2.829
  495   3HD1  LEU  60          2HD1      LEU  60  -2.976   2.339  -1.128
  496   1HD2  LEU  60          3HD2      LEU  60  -6.458   3.703  -3.155
  497   2HD2  LEU  60          2HD2      LEU  60  -4.840   4.029  -3.774
  498   3HD2  LEU  60          1HD2      LEU  60  -5.502   2.397  -3.854
  499    H    ASN  61           H        ASN  61  -7.225   1.898   1.756
  500    HA   ASN  61           HA       ASN  61  -9.143  -0.178   1.109
  501   1HB   ASN  61          2HB       ASN  61  -7.748   0.788   3.553
  502   2HB   ASN  61          1HB       ASN  61  -9.265  -0.079   3.799
  503   1HD2  ASN  61          2HD2      ASN  61  -7.908  -3.051   2.056
  504   2HD2  ASN  61          1HD2      ASN  61  -9.277  -2.058   1.923
  505    H    MET  62           H        MET  62  -9.359   3.104   2.345
  506    HA   MET  62           HA       MET  62 -12.177   2.803   3.105
  507   1HB   MET  62          2HB       MET  62 -10.160   5.012   3.165
  508   2HB   MET  62          1HB       MET  62 -11.872   5.439   3.201
  509   1HG   MET  62          2HG       MET  62 -10.816   3.301   5.034
  510   2HG   MET  62          1HG       MET  62 -10.636   5.002   5.463
  511   1HE   MET  62          1HE       MET  62 -12.261   2.069   5.852
  512   2HE   MET  62          3HE       MET  62 -13.957   2.329   6.279
  513   3HE   MET  62          2HE       MET  62 -13.485   2.162   4.590
  514    H    TYR  63           H        TYR  63 -10.782   2.887   0.123
  515    HA   TYR  63           HA       TYR  63 -12.976   4.566  -1.007
  516   1HB   TYR  63          2HB       TYR  63 -10.183   3.989  -1.993
  517   2HB   TYR  63          1HB       TYR  63 -11.436   4.610  -3.069
  518    HD1  TYR  63           HD2      TYR  63 -12.941   6.522  -1.617
  519    HD2  TYR  63           HD1      TYR  63  -8.742   5.676  -1.297
  520    HE1  TYR  63           HE2      TYR  63 -12.549   8.809  -0.744
  521    HE2  TYR  63           HE1      TYR  63  -8.349   7.967  -0.426
  522    HH   TYR  63           HH       TYR  63 -10.787   9.946   0.709
  523    H    GLY  64           H        GLY  64 -11.284   1.445  -1.269
  524   1HA   GLY  64          2HA       GLY  64 -13.331  -0.207  -1.873
  525   2HA   GLY  64          1HA       GLY  64 -13.119   0.594  -3.426
  526    H    TRP  65           H        TRP  65 -10.080   0.711  -2.685
  527    HA   TRP  65           HA       TRP  65  -9.385  -1.713  -4.120
  528   1HB   TRP  65          2HB       TRP  65  -7.626   0.247  -2.608
  529   2HB   TRP  65          1HB       TRP  65  -7.039  -1.018  -3.687
  530    HD1  TRP  65           HD1      TRP  65  -9.034   2.253  -3.718
  531    HE1  TRP  65           HE1      TRP  65  -9.010   3.204  -6.114
  532    HE3  TRP  65           HE3      TRP  65  -6.735  -1.589  -6.171
  533    HZ2  TRP  65           HZ2      TRP  65  -8.137   2.436  -8.727
  534    HZ3  TRP  65           HZ3      TRP  65  -6.320  -1.454  -8.609
  535    HH2  TRP  65           HH2      TRP  65  -7.016   0.551  -9.890
  536    H    HIS  66           H        HIS  66  -8.114  -3.480  -3.293
  537    HA   HIS  66           HA       HIS  66  -7.775  -3.762  -0.384
  538   1HB   HIS  66          2HB       HIS  66  -9.614  -5.604  -1.949
  539   2HB   HIS  66          1HB       HIS  66  -9.101  -5.856  -0.280
  540    HD1  HIS  66           HD1      HIS  66 -11.493  -3.949  -2.368
  541    HD2  HIS  66           HD2      HIS  66 -10.150  -3.874   1.577
  542    HE1  HIS  66           HE1      HIS  66 -13.127  -2.501  -1.082
  543    H    LYS  67           H        LYS  67  -6.749  -6.003   0.064
  544    HA   LYS  67           HA       LYS  67  -4.600  -6.411  -1.876
  545   1HB   LYS  67          2HB       LYS  67  -5.250  -7.386   0.862
  546   2HB   LYS  67          1HB       LYS  67  -4.241  -8.437  -0.132
  547   1HG   LYS  67          2HG       LYS  67  -2.675  -7.045   0.945
  548   2HG   LYS  67          1HG       LYS  67  -2.873  -6.288  -0.636
  549   1HD   LYS  67          2HD       LYS  67  -3.132  -4.439   0.739
  550   2HD   LYS  67          1HD       LYS  67  -4.809  -4.968   0.602
  551   1HE   LYS  67          2HE       LYS  67  -3.889  -6.489   2.715
  552   2HE   LYS  67          1HE       LYS  67  -3.033  -4.965   2.945
  553   1HZ   LYS  67          1HZ       LYS  67  -5.912  -4.956   2.336
  554   2HZ   LYS  67          3HZ       LYS  67  -5.390  -5.261   3.921
  555   3HZ   LYS  67          2HZ       LYS  67  -4.986  -3.796   3.159
  556    H    VAL  68           H        VAL  68  -4.178  -8.431  -2.968
  557    HA   VAL  68           HA       VAL  68  -6.467 -10.329  -3.120
  558    HB   VAL  68           HB       VAL  68  -6.747  -8.700  -4.959
  559   1HG1  VAL  68          1HG1      VAL  68  -4.145  -8.348  -5.018
  560   2HG1  VAL  68          3HG1      VAL  68  -4.181  -9.673  -6.181
  561   3HG1  VAL  68          2HG1      VAL  68  -5.077  -8.190  -6.506
  562   1HG2  VAL  68          3HG2      VAL  68  -6.922 -11.389  -5.162
  563   2HG2  VAL  68          2HG2      VAL  68  -7.295 -10.308  -6.504
  564   3HG2  VAL  68          1HG2      VAL  68  -5.713 -11.084  -6.410
  565    H    GLN  69           H        GLN  69  -5.832 -12.465  -3.625
  566    HA   GLN  69           HA       GLN  69  -3.102 -13.083  -4.456
  567   1HB   GLN  69          2HB       GLN  69  -3.853 -13.053  -1.606
  568   2HB   GLN  69          1HB       GLN  69  -3.144 -14.580  -2.131
  569   1HG   GLN  69          2HG       GLN  69  -1.087 -13.660  -2.458
  570   2HG   GLN  69          1HG       GLN  69  -1.752 -12.175  -3.138
  571   1HE2  GLN  69          2HE2      GLN  69  -0.969 -12.397   0.869
  572   2HE2  GLN  69          1HE2      GLN  69  -0.895 -13.792  -0.095
  573    H    ASP  70           H        ASP  70  -5.368 -14.889  -2.374
  574    HA   ASP  70           HA       ASP  70  -6.678 -16.348  -4.436
  575   1HB   ASP  70          2HB       ASP  70  -4.016 -17.121  -4.235
  576   2HB   ASP  70          1HB       ASP  70  -4.848 -18.317  -3.241
  577    H    VAL  71           H        VAL  71  -7.039 -18.820  -3.194
  578    HA   VAL  71           HA       VAL  71  -8.307 -17.976  -0.629
  579    HB   VAL  71           HB       VAL  71  -9.704 -20.026  -0.915
  580   1HG1  VAL  71          1HG1      VAL  71 -10.337 -17.753  -1.834
  581   2HG1  VAL  71          3HG1      VAL  71  -9.726 -18.293  -3.398
  582   3HG1  VAL  71          2HG1      VAL  71 -11.096 -19.117  -2.653
  583   1HG2  VAL  71          3HG2      VAL  71  -7.964 -21.244  -2.293
  584   2HG2  VAL  71          2HG2      VAL  71  -9.594 -21.302  -2.963
  585   3HG2  VAL  71          1HG2      VAL  71  -8.400 -20.200  -3.647
  586    H    LYS  72           H        LYS  72  -5.450 -18.708  -0.944
  587    HA   LYS  72           HA       LYS  72  -5.396 -20.845   1.121
  588   1HB   LYS  72          2HB       LYS  72  -3.641 -20.848  -1.356
  589   2HB   LYS  72          1HB       LYS  72  -3.575 -22.015  -0.033
  590   1HG   LYS  72          2HG       LYS  72  -6.087 -22.426  -0.555
  591   2HG   LYS  72          1HG       LYS  72  -5.744 -21.628  -2.092
  592   1HD   LYS  72          2HD       LYS  72  -3.672 -23.321  -2.069
  593   2HD   LYS  72          1HD       LYS  72  -4.779 -24.260  -1.066
  594   1HE   LYS  72          2HE       LYS  72  -6.499 -23.597  -3.002
  595   2HE   LYS  72          1HE       LYS  72  -5.011 -23.492  -3.944
  596   1HZ   LYS  72          2HZ       LYS  72  -5.437 -25.836  -2.229
  597   2HZ   LYS  72          1HZ       LYS  72  -6.277 -25.743  -3.703
  598   3HZ   LYS  72          3HZ       LYS  72  -4.582 -25.707  -3.691
  599    H    SER  73           H        SER  73  -4.511 -19.683   2.780
  600    HA   SER  73           HA       SER  73  -2.564 -17.557   2.320
  601   1HB   SER  73          2HB       SER  73  -4.036 -18.684   4.627
  602   2HB   SER  73          1HB       SER  73  -2.453 -18.009   5.005
  603    HG   SER  73           HG       SER  73  -3.114 -16.087   3.979
  604    H    GLY  74           H        GLY  74  -2.243 -20.321   4.557
  605   1HA   GLY  74          2HA       GLY  74  -0.421 -21.740   4.976
  606   2HA   GLY  74          1HA       GLY  74   0.057 -21.474   3.298
  607    H    SER  75           H        SER  75  -0.304 -18.997   5.804
  608    HA   SER  75           HA       SER  75   1.197 -17.337   6.505
  609   1HB   SER  75          2HB       SER  75   3.528 -18.398   7.101
  610   2HB   SER  75          1HB       SER  75   2.099 -18.844   8.024
  611    HG   SER  75           HG       SER  75   2.596 -20.797   7.436
  612    H    MET  76           H        MET  76   1.395 -16.044   4.640
  613    HA   MET  76           HA       MET  76   3.729 -16.664   2.879
  614   1HB   MET  76          2HB       MET  76   1.033 -15.562   2.369
  615   2HB   MET  76          1HB       MET  76   2.343 -14.711   1.548
  616   1HG   MET  76          2HG       MET  76   3.065 -16.678   0.428
  617   2HG   MET  76          1HG       MET  76   2.113 -17.722   1.485
  618   1HE   MET  76          1HE       MET  76   1.859 -18.467  -1.251
  619   2HE   MET  76          3HE       MET  76   0.804 -17.589  -2.365
  620   3HE   MET  76          2HE       MET  76   2.364 -16.912  -1.906
  621    H    LEU  77           H        LEU  77   3.795 -15.302   5.521
  622    HA   LEU  77           HA       LEU  77   4.316 -12.474   4.885
  623   1HB   LEU  77          2HB       LEU  77   4.352 -14.150   7.382
  624   2HB   LEU  77          1HB       LEU  77   5.185 -12.596   7.369
  625    HG   LEU  77           HG       LEU  77   2.983 -11.645   6.399
  626   1HD1  LEU  77          1HD1      LEU  77   2.081 -14.331   7.474
  627   2HD1  LEU  77          3HD1      LEU  77   0.981 -12.980   7.197
  628   3HD1  LEU  77          2HD1      LEU  77   1.853 -13.699   5.843
  629   1HD2  LEU  77          3HD2      LEU  77   3.160 -12.695   9.242
  630   2HD2  LEU  77          2HD2      LEU  77   3.738 -11.134   8.661
  631   3HD2  LEU  77          1HD2      LEU  77   2.007 -11.474   8.702
  632    H    SER  78           H        SER  78   6.188 -15.304   5.987
  633    HA   SER  78           HA       SER  78   8.472 -15.789   5.816
  634   1HB   SER  78          2HB       SER  78   8.018 -15.619   3.414
  635   2HB   SER  78          1HB       SER  78   8.232 -13.873   3.479
  636    HG   SER  78           HG       SER  78  10.090 -15.342   2.859
  637    H    ASN  79           H        ASN  79   7.484 -13.276   7.311
  638    HA   ASN  79           HA       ASN  79   8.438 -11.518   8.507
  639   1HB   ASN  79          2HB       ASN  79   9.932 -13.281   9.306
  640   2HB   ASN  79          1HB       ASN  79  10.959 -13.092   7.892
  641   1HD2  ASN  79          2HD2      ASN  79  12.672 -11.104  10.447
  642   2HD2  ASN  79          1HD2      ASN  79  12.452 -12.733  10.024
  643    H    ASN  80           H        ASN  80  11.360 -11.773   6.500
  644    HA   ASN  80           HA       ASN  80  10.848  -9.032   5.539
  645   1HB   ASN  80          2HB       ASN  80  13.243 -10.848   5.127
  646   2HB   ASN  80          1HB       ASN  80  13.162  -9.133   4.716
  647   1HD2  ASN  80          2HD2      ASN  80  14.288 -10.080   8.391
  648   2HD2  ASN  80          1HD2      ASN  80  14.385 -11.110   7.045
  649    H    ASP  81           H        ASP  81   9.542  -8.931   3.766
  650    HA   ASP  81           HA       ASP  81  10.384 -10.101   1.272
  651   1HB   ASP  81          2HB       ASP  81   9.023 -11.915   2.811
  652   2HB   ASP  81          1HB       ASP  81   7.702 -11.186   1.897
  653    H    SER  82           H        SER  82   9.003  -9.409  -0.501
  654    HA   SER  82           HA       SER  82   6.784  -7.569   0.141
  655   1HB   SER  82          2HB       SER  82   9.010  -6.560  -1.623
  656   2HB   SER  82          1HB       SER  82   7.733  -5.643  -0.826
  657    HG   SER  82           HG       SER  82   9.008  -5.460   0.824
  658    H    ARG  83           H        ARG  83   5.380  -8.859  -1.056
  659    HA   ARG  83           HA       ARG  83   5.638  -8.682  -3.976
  660   1HB   ARG  83          2HB       ARG  83   6.514 -11.023  -2.606
  661   2HB   ARG  83          1HB       ARG  83   4.997 -11.437  -3.401
  662   1HG   ARG  83          2HG       ARG  83   7.237  -9.996  -4.838
  663   2HG   ARG  83          1HG       ARG  83   7.113 -11.757  -4.797
  664   1HD   ARG  83          2HD       ARG  83   4.787 -11.555  -5.716
  665   2HD   ARG  83          1HD       ARG  83   5.055  -9.821  -5.895
  666    HE   ARG  83           HE       ARG  83   7.043 -10.553  -7.396
  667   1HH1  ARG  83          2HH1      ARG  83   5.313 -13.268  -6.648
  668   2HH1  ARG  83          1HH1      ARG  83   4.872 -13.681  -8.271
  669   1HH2  ARG  83          1HH2      ARG  83   5.984 -10.685  -9.617
  670   2HH2  ARG  83          2HH2      ARG  83   5.252 -12.219  -9.952
  671    H    TRP  84           H        TRP  84   3.674  -7.582  -4.037
  672    HA   TRP  84           HA       TRP  84   1.291  -9.208  -3.807
  673   1HB   TRP  84          2HB       TRP  84   0.104  -7.977  -2.111
  674   2HB   TRP  84          1HB       TRP  84   1.641  -8.488  -1.429
  675    HD1  TRP  84           HD1      TRP  84   3.010  -5.952  -3.284
  676    HE1  TRP  84           HE1      TRP  84   2.989  -3.635  -2.144
  677    HE3  TRP  84           HE3      TRP  84  -0.542  -6.770   0.278
  678    HZ2  TRP  84           HZ2      TRP  84   1.633  -2.312   0.001
  679    HZ3  TRP  84           HZ3      TRP  84  -1.180  -4.969   1.858
  680    HH2  TRP  84           HH2      TRP  84  -0.097  -2.743   1.722
  681    H    GLU  85           H        GLU  85  -0.689  -7.977  -4.520
  682    HA   GLU  85           HA       GLU  85   0.018  -5.592  -6.172
  683   1HB   GLU  85          2HB       GLU  85  -1.669  -7.933  -7.113
  684   2HB   GLU  85          1HB       GLU  85  -1.267  -6.495  -8.048
  685   1HG   GLU  85          2HG       GLU  85   0.550  -7.602  -8.797
  686   2HG   GLU  85          1HG       GLU  85   1.216  -7.463  -7.171
  687    H    PHE  86           H        PHE  86  -1.590  -4.032  -6.255
  688    HA   PHE  86           HA       PHE  86  -3.831  -4.339  -4.366
  689   1HB   PHE  86          2HB       PHE  86  -2.784  -2.038  -6.023
  690   2HB   PHE  86          1HB       PHE  86  -4.274  -1.919  -5.094
  691    HD1  PHE  86           HD2      PHE  86  -0.782  -3.229  -4.549
  692    HD2  PHE  86           HD1      PHE  86  -4.072  -0.935  -3.024
  693    HE1  PHE  86           HE2      PHE  86   0.517  -2.734  -2.498
  694    HE2  PHE  86           HE1      PHE  86  -2.771  -0.434  -0.970
  695    HZ   PHE  86           HZ       PHE  86  -0.475  -1.335  -0.708
  696    H    GLU  87           H        GLU  87  -5.993  -4.513  -4.985
  697    HA   GLU  87           HA       GLU  87  -6.808  -4.023  -7.756
  698   1HB   GLU  87          2HB       GLU  87  -5.784  -6.323  -7.817
  699   2HB   GLU  87          1HB       GLU  87  -7.016  -6.843  -6.665
  700   1HG   GLU  87          2HG       GLU  87  -8.782  -6.127  -8.257
  701   2HG   GLU  87          1HG       GLU  87  -7.532  -5.681  -9.419
  702    H    ASN  88           H        ASN  88  -9.061  -3.832  -7.944
  703    HA   ASN  88           HA       ASN  88 -10.596  -4.135  -5.392
  704   1HB   ASN  88          2HB       ASN  88 -12.022  -2.263  -6.219
  705   2HB   ASN  88          1HB       ASN  88 -10.344  -1.771  -5.987
  706   1HD2  ASN  88          2HD2      ASN  88 -11.991  -1.454  -9.642
  707   2HD2  ASN  88          1HD2      ASN  88 -12.899  -1.822  -8.256
  708    H    GLU  89           H        GLU  89 -11.997  -5.802  -5.568
  709    HA   GLU  89           HA       GLU  89 -13.135  -6.410  -8.269
  710   1HB   GLU  89          2HB       GLU  89 -11.692  -8.112  -6.789
  711   2HB   GLU  89          1HB       GLU  89 -13.266  -8.407  -6.053
  712   1HG   GLU  89          2HG       GLU  89 -13.909  -9.647  -7.819
  713   2HG   GLU  89          1HG       GLU  89 -13.574  -8.313  -8.922
  714    H    ARG  90           H        ARG  90 -13.976  -6.572  -4.790
  715    HA   ARG  90           HA       ARG  90 -16.796  -6.839  -5.217
  716   1HB   ARG  90          2HB       ARG  90 -16.986  -6.094  -2.840
  717   2HB   ARG  90          1HB       ARG  90 -15.796  -7.377  -3.057
  718   1HG   ARG  90          2HG       ARG  90 -14.261  -5.129  -3.448
  719   2HG   ARG  90          1HG       ARG  90 -15.407  -4.571  -2.229
  720   1HD   ARG  90          2HD       ARG  90 -13.668  -7.048  -2.043
  721   2HD   ARG  90          1HD       ARG  90 -13.450  -5.552  -1.135
  722    HE   ARG  90           HE       ARG  90 -16.008  -7.035  -0.822
  723   1HH1  ARG  90          1HH2      ARG  90 -15.642  -4.904   1.062
  724   2HH1  ARG  90          2HH2      ARG  90 -14.859  -5.647   2.416
  725   1HH2  ARG  90          2HH1      ARG  90 -13.843  -8.442   0.630
  726   2HH2  ARG  90          1HH1      ARG  90 -13.841  -7.652   2.172
  727    H    HIS  91           H        HIS  91 -18.120  -4.870  -3.920
  728    HA   HIS  91           HA       HIS  91 -17.964  -2.652  -5.822
  729   1HB   HIS  91          2HB       HIS  91 -19.965  -3.799  -4.174
  730   2HB   HIS  91          1HB       HIS  91 -19.749  -2.150  -3.589
  731    HD1  HIS  91           HD1      HIS  91 -19.540  -3.471  -7.162
  732    HD2  HIS  91           HD2      HIS  91 -21.755  -0.759  -4.901
  733    HE1  HIS  91           HE1      HIS  91 -21.079  -2.278  -8.781
  734    H    ALA  92           HN       ALA  92 -18.000  -2.729  -2.234
  735    HA   ALA  92           HA       ALA  92 -15.616  -1.189  -1.911
  736   1HB   ALA  92          2HB       ALA  92 -18.211   0.352  -2.032
  737   2HB   ALA  92          1HB       ALA  92 -16.829   0.945  -1.109
  738   3HB   ALA  92          3HB       ALA  92 -16.690   0.703  -2.850
   
  No H/Q in entry =         738
  Start of MODEL          29
 Raw file had  756 H/Q atoms
  Start of MODEL   29
    1   1H    ALA   1          3H        ALA   1 -17.918  13.267  -8.466
    2   2H    ALA   1          2H        ALA   1 -18.968  12.347  -7.498
    3   3H    ALA   1          1H        ALA   1 -17.895  13.453  -6.780
    4    HA   ALA   1           HA       ALA   1 -16.957  11.328  -6.443
    5   1HB   ALA   1          1HB       ALA   1 -18.387  10.310  -8.298
    6   2HB   ALA   1          3HB       ALA   1 -17.157  10.877  -9.427
    7   3HB   ALA   1          2HB       ALA   1 -16.735   9.701  -8.183
    8    H    ARG   2           H        ARG   2 -15.264  12.860  -5.966
    9    HA   ARG   2           HA       ARG   2 -13.093  12.815  -7.953
   10   1HB   ARG   2          2HB       ARG   2 -14.797  15.072  -7.758
   11   2HB   ARG   2          1HB       ARG   2 -13.294  15.531  -6.963
   12   1HG   ARG   2          2HG       ARG   2 -12.533  15.967  -9.055
   13   2HG   ARG   2          1HG       ARG   2 -12.377  14.217  -9.210
   14   1HD   ARG   2          2HD       ARG   2 -13.675  14.765 -11.083
   15   2HD   ARG   2          1HD       ARG   2 -14.902  14.313  -9.900
   16    HE   ARG   2           HE       ARG   2 -15.545  16.605  -9.744
   17   1HH1  ARG   2          1HH2      ARG   2 -13.235  18.211  -9.497
   18   2HH1  ARG   2          2HH2      ARG   2 -12.981  18.899 -11.066
   19   1HH2  ARG   2          2HH1      ARG   2 -14.993  16.592 -12.694
   20   2HH2  ARG   2          1HH1      ARG   2 -13.976  17.982 -12.876
   21    HA   PRO   3           HA       PRO   3 -11.575  12.717  -3.688
   22   1HB   PRO   3          2HB       PRO   3 -10.025  10.464  -3.882
   23   2HB   PRO   3          1HB       PRO   3 -11.748  10.428  -3.470
   24   1HG   PRO   3          2HG       PRO   3 -10.414   9.703  -6.034
   25   2HG   PRO   3          1HG       PRO   3 -11.936   9.104  -5.350
   26   1HD   PRO   3          2HD       PRO   3 -11.698  11.021  -7.400
   27   2HD   PRO   3          1HD       PRO   3 -13.162  10.683  -6.457
   28    H    ALA   4           H        ALA   4  -9.883  14.116  -3.366
   29    HA   ALA   4           HA       ALA   4  -7.922  14.727  -5.353
   30   1HB   ALA   4          1HB       ALA   4  -7.938  15.223  -2.362
   31   2HB   ALA   4          3HB       ALA   4  -6.731  15.890  -3.461
   32   3HB   ALA   4          2HB       ALA   4  -8.426  16.348  -3.630
   33    H    PHE   5           H        PHE   5  -8.022  12.301  -2.827
   34    HA   PHE   5           HA       PHE   5  -5.215  11.720  -2.696
   35   1HB   PHE   5          2HB       PHE   5  -6.948  10.879  -1.074
   36   2HB   PHE   5          1HB       PHE   5  -7.508   9.770  -2.325
   37    HD1  PHE   5           HD2      PHE   5  -4.463  10.778  -0.411
   38    HD2  PHE   5           HD1      PHE   5  -6.432   7.698  -2.665
   39    HE1  PHE   5           HE2      PHE   5  -2.658   9.188   0.188
   40    HE2  PHE   5           HE1      PHE   5  -4.624   6.106  -2.068
   41    HZ   PHE   5           HZ       PHE   5  -2.737   6.852  -0.641
   42    H    VAL   6           H        VAL   6  -7.827  10.050  -4.527
   43    HA   VAL   6           HA       VAL   6  -6.044   8.371  -6.001
   44    HB   VAL   6           HB       VAL   6  -8.706   9.391  -7.018
   45   1HG1  VAL   6          1HG1      VAL   6  -7.079   8.005  -8.467
   46   2HG1  VAL   6          3HG1      VAL   6  -7.437   6.670  -7.371
   47   3HG1  VAL   6          2HG1      VAL   6  -8.730   7.403  -8.316
   48   1HG2  VAL   6          1HG2      VAL   6  -8.031   7.331  -4.915
   49   2HG2  VAL   6          3HG2      VAL   6  -9.252   8.601  -4.857
   50   3HG2  VAL   6          2HG2      VAL   6  -9.502   7.186  -5.879
   51    H    ASN   7           H        ASN   7  -6.893  11.742  -6.376
   52    HA   ASN   7           HA       ASN   7  -6.169  12.042  -9.140
   53   1HB   ASN   7          2HB       ASN   7  -6.265  13.944  -6.797
   54   2HB   ASN   7          1HB       ASN   7  -5.665  14.469  -8.368
   55   1HD2  ASN   7          2HD2      ASN   7  -8.954  15.076  -9.448
   56   2HD2  ASN   7          1HD2      ASN   7  -7.334  15.578  -9.402
   57    H    LYS   8           H        LYS   8  -4.301  12.369  -6.110
   58    HA   LYS   8           HA       LYS   8  -1.808  12.918  -7.485
   59   1HB   LYS   8          2HB       LYS   8  -0.870  13.116  -5.374
   60   2HB   LYS   8          1HB       LYS   8  -2.560  13.343  -4.952
   61   1HG   LYS   8          2HG       LYS   8  -2.669  10.861  -4.444
   62   2HG   LYS   8          1HG       LYS   8  -0.924  10.804  -4.665
   63   1HD   LYS   8          2HD       LYS   8  -2.257  12.708  -2.726
   64   2HD   LYS   8          1HD       LYS   8  -1.719  11.094  -2.257
   65   1HE   LYS   8          2HE       LYS   8   0.543  11.602  -2.616
   66   2HE   LYS   8          1HE       LYS   8   0.169  12.963  -3.673
   67   1HZ   LYS   8          1HZ       LYS   8  -0.603  12.956  -0.820
   68   2HZ   LYS   8          3HZ       LYS   8   0.930  13.481  -1.321
   69   3HZ   LYS   8          2HZ       LYS   8  -0.463  14.280  -1.877
   70    H    LEU   9           H        LEU   9  -3.570  10.049  -6.647
   71    HA   LEU   9           HA       LEU   9  -1.487   8.111  -6.668
   72   1HB   LEU   9          2HB       LEU   9  -3.790   7.677  -5.886
   73   2HB   LEU   9          1HB       LEU   9  -4.385   7.868  -7.530
   74    HG   LEU   9           HG       LEU   9  -2.698   5.974  -8.118
   75   1HD1  LEU   9          3HD1      LEU   9  -1.660   6.134  -5.779
   76   2HD1  LEU   9          2HD1      LEU   9  -3.120   5.339  -5.191
   77   3HD1  LEU   9          1HD1      LEU   9  -2.068   4.513  -6.341
   78   1HD2  LEU   9          1HD2      LEU   9  -5.264   5.934  -7.977
   79   2HD2  LEU   9          3HD2      LEU   9  -4.444   4.382  -7.810
   80   3HD2  LEU   9          2HD2      LEU   9  -5.054   5.216  -6.382
   81    H    TRP  10           H        TRP  10  -3.625   9.212  -9.326
   82    HA   TRP  10           HA       TRP  10  -2.576   7.550 -11.355
   83   1HB   TRP  10          2HB       TRP  10  -3.952  10.216 -11.368
   84   2HB   TRP  10          1HB       TRP  10  -3.314   9.552 -12.874
   85    HD1  TRP  10           HD1      TRP  10  -4.050   6.793 -13.190
   86    HE1  TRP  10           HE1      TRP  10  -6.422   5.819 -12.916
   87    HE3  TRP  10           HE3      TRP  10  -6.184  10.445 -10.340
   88    HZ2  TRP  10           HZ2      TRP  10  -8.898   6.500 -11.667
   89    HZ3  TRP  10           HZ3      TRP  10  -8.540  10.252  -9.613
   90    HH2  TRP  10           HH2      TRP  10  -9.904   8.292 -10.275
   91    H    SER  11           H        SER  11  -1.186  10.433  -9.940
   92    HA   SER  11           HA       SER  11   0.807  10.634 -12.131
   93   1HB   SER  11          2HB       SER  11   0.942  12.345  -9.684
   94   2HB   SER  11          1HB       SER  11   1.287  12.758 -11.361
   95    HG   SER  11           HG       SER  11  -0.699  13.396 -11.528
   96    H    MET  12           H        MET  12   0.486   9.318  -8.939
   97    HA   MET  12           HA       MET  12   3.355   9.271  -8.379
   98   1HB   MET  12          2HB       MET  12   1.018   9.011  -6.859
   99   2HB   MET  12          1HB       MET  12   1.733   7.401  -6.822
  100   1HG   MET  12          2HG       MET  12   3.596   9.687  -6.421
  101   2HG   MET  12          1HG       MET  12   2.461   9.362  -5.113
  102   1HE   MET  12          3HE       MET  12   1.856   7.291  -4.372
  103   2HE   MET  12          2HE       MET  12   2.380   5.796  -5.142
  104   3HE   MET  12          1HE       MET  12   3.085   6.280  -3.601
  105    H    VAL  13           H        VAL  13   1.037   7.192  -9.965
  106    HA   VAL  13           HA       VAL  13   2.790   4.831  -9.784
  107    HB   VAL  13           HB       VAL  13   0.414   4.993 -11.625
  108   1HG1  VAL  13          3HG1      VAL  13   1.971   2.912 -10.133
  109   2HG1  VAL  13          2HG1      VAL  13   0.279   2.591 -10.516
  110   3HG1  VAL  13          1HG1      VAL  13   1.431   2.915 -11.812
  111   1HG2  VAL  13          3HG2      VAL  13   0.364   5.353  -8.713
  112   2HG2  VAL  13          2HG2      VAL  13  -0.937   5.545  -9.886
  113   3HG2  VAL  13          1HG2      VAL  13  -0.574   3.951  -9.228
  114    H    ASN  14           H        ASN  14   1.526   6.932 -12.398
  115    HA   ASN  14           HA       ASN  14   3.528   5.807 -14.256
  116   1HB   ASN  14          2HB       ASN  14   2.415   7.275 -15.936
  117   2HB   ASN  14          1HB       ASN  14   1.280   6.196 -15.128
  118   1HD2  ASN  14          2HD2      ASN  14  -0.586   9.245 -14.783
  119   2HD2  ASN  14          1HD2      ASN  14  -0.393   7.875 -15.768
  120    H    ASP  15           H        ASP  15   4.929   6.984 -12.303
  121    HA   ASP  15           HA       ASP  15   5.662   9.693 -13.334
  122   1HB   ASP  15          2HB       ASP  15   4.957   9.138 -10.809
  123   2HB   ASP  15          1HB       ASP  15   6.665   8.711 -10.699
  124    H    LYS  16           H        LYS  16   7.908  10.133 -13.659
  125    HA   LYS  16           HA       LYS  16   9.452   7.917 -14.648
  126   1HB   LYS  16          2HB       LYS  16   9.691  10.814 -14.528
  127   2HB   LYS  16          1HB       LYS  16  11.236  10.049 -14.157
  128   1HG   LYS  16          2HG       LYS  16  10.705   8.554 -16.240
  129   2HG   LYS  16          1HG       LYS  16   9.585   9.850 -16.664
  130   1HD   LYS  16          2HD       LYS  16  11.765  11.326 -16.044
  131   2HD   LYS  16          1HD       LYS  16  12.556   9.857 -16.616
  132   1HE   LYS  16          2HE       LYS  16  10.352  11.215 -18.178
  133   2HE   LYS  16          1HE       LYS  16  12.053  11.626 -18.395
  134   1HZ   LYS  16          1HZ       LYS  16  12.349   9.104 -18.672
  135   2HZ   LYS  16          3HZ       LYS  16  10.678   9.082 -18.964
  136   3HZ   LYS  16          2HZ       LYS  16  11.704   9.993 -19.967
  137    H    SER  17           H        SER  17   9.370   9.650 -11.581
  138    HA   SER  17           HA       SER  17  11.796   8.590 -10.484
  139   1HB   SER  17          2HB       SER  17  10.301  10.507  -9.591
  140   2HB   SER  17          1HB       SER  17   9.347   9.231  -8.842
  141    HG   SER  17           HG       SER  17  10.805   9.308  -7.334
  142    H    ASN  18           H        ASN  18   8.562   7.276 -10.832
  143    HA   ASN  18           HA       ASN  18   9.283   4.924  -9.160
  144   1HB   ASN  18          2HB       ASN  18   6.669   5.808 -10.410
  145   2HB   ASN  18          1HB       ASN  18   6.876   4.278  -9.560
  146   1HD2  ASN  18          2HD2      ASN  18   6.302   7.639  -7.426
  147   2HD2  ASN  18          1HD2      ASN  18   6.126   7.585  -9.113
  148    H    GLU  19           H        GLU  19  10.644   5.330 -11.649
  149    HA   GLU  19           HA       GLU  19   9.465   3.654 -13.696
  150   1HB   GLU  19          2HB       GLU  19  11.314   5.474 -13.935
  151   2HB   GLU  19          1HB       GLU  19  12.419   4.193 -13.433
  152   1HG   GLU  19          2HG       GLU  19  12.158   3.014 -15.381
  153   2HG   GLU  19          1HG       GLU  19  10.466   3.482 -15.558
  154    H    LYS  20           H        LYS  20   9.034   1.603 -13.045
  155    HA   LYS  20           HA       LYS  20   9.531  -0.669 -12.699
  156   1HB   LYS  20          2HB       LYS  20  11.925   0.099 -13.568
  157   2HB   LYS  20          1HB       LYS  20  12.356  -0.139 -11.875
  158   1HG   LYS  20          2HG       LYS  20  12.157  -2.401 -12.012
  159   2HG   LYS  20          1HG       LYS  20  10.707  -2.306 -13.012
  160   1HD   LYS  20          2HD       LYS  20  13.388  -1.566 -14.162
  161   2HD   LYS  20          1HD       LYS  20  12.897  -3.258 -14.068
  162   1HE   LYS  20          2HE       LYS  20  10.726  -2.542 -15.221
  163   2HE   LYS  20          1HE       LYS  20  11.529  -1.007 -15.554
  164   1HZ   LYS  20          3HZ       LYS  20  12.558  -3.679 -16.344
  165   2HZ   LYS  20          2HZ       LYS  20  11.766  -2.592 -17.381
  166   3HZ   LYS  20          1HZ       LYS  20  13.272  -2.184 -16.708
  167    H    PHE  21           H        PHE  21   9.038   1.561 -10.581
  168    HA   PHE  21           HA       PHE  21   9.833  -0.064  -8.199
  169   1HB   PHE  21          2HB       PHE  21   9.246   2.879  -8.556
  170   2HB   PHE  21          1HB       PHE  21   9.177   2.119  -6.965
  171    HD1  PHE  21           HD1      PHE  21  11.276   0.403  -6.580
  172    HD2  PHE  21           HD2      PHE  21  11.268   3.891  -9.088
  173    HE1  PHE  21           HE1      PHE  21  13.748   0.526  -6.417
  174    HE2  PHE  21           HE2      PHE  21  13.741   4.015  -8.923
  175    HZ   PHE  21           HZ       PHE  21  14.980   2.332  -7.588
  176    H    ILE  22           H        ILE  22   7.208   1.586  -9.859
  177    HA   ILE  22           HA       ILE  22   5.261  -0.278  -8.747
  178    HB   ILE  22           HB       ILE  22   5.344   1.402  -6.941
  179   1HG1  ILE  22          2HG1      ILE  22   2.841   1.800  -8.605
  180   2HG1  ILE  22          1HG1      ILE  22   3.166   0.342  -7.667
  181   1HG2  ILE  22          2HG2      ILE  22   4.903   3.319  -9.230
  182   2HG2  ILE  22          1HG2      ILE  22   4.454   3.740  -7.581
  183   3HG2  ILE  22          3HG2      ILE  22   6.133   3.376  -7.969
  184   1HD1  ILE  22          1HD1      ILE  22   3.305   3.059  -6.373
  185   2HD1  ILE  22          3HD1      ILE  22   1.761   2.226  -6.556
  186   3HD1  ILE  22          2HD1      ILE  22   3.055   1.487  -5.614
  187    H    HIS  23           H        HIS  23   3.547  -0.495 -10.199
  188    HA   HIS  23           HA       HIS  23   2.972   1.591 -12.167
  189   1HB   HIS  23          2HB       HIS  23   3.505   0.138 -14.131
  190   2HB   HIS  23          1HB       HIS  23   4.937   0.613 -13.218
  191    HD1  HIS  23           HD1      HIS  23   3.859  -2.216 -14.873
  192    HD2  HIS  23           HD2      HIS  23   5.125  -1.648 -10.941
  193    HE1  HIS  23           HE1      HIS  23   4.601  -4.483 -14.023
  194    H    TRP  24           H        TRP  24   1.369   0.627 -13.855
  195    HA   TRP  24           HA       TRP  24  -0.811  -0.583 -12.352
  196   1HB   TRP  24          2HB       TRP  24  -0.658  -0.115 -15.345
  197   2HB   TRP  24          1HB       TRP  24  -2.114  -0.280 -14.363
  198    HD1  TRP  24           HD1      TRP  24   0.652   2.172 -15.255
  199    HE1  TRP  24           HE1      TRP  24   0.027   4.514 -14.374
  200    HE3  TRP  24           HE3      TRP  24  -3.488   0.996 -12.505
  201    HZ2  TRP  24           HZ2      TRP  24  -1.971   5.724 -12.722
  202    HZ3  TRP  24           HZ3      TRP  24  -4.733   2.762 -11.291
  203    HH2  TRP  24           HH2      TRP  24  -3.980   5.121 -11.395
  204    H    SER  25           H        SER  25  -1.995  -2.528 -13.373
  205    HA   SER  25           HA       SER  25  -0.044  -4.699 -13.656
  206   1HB   SER  25          2HB       SER  25  -2.820  -4.446 -12.889
  207   2HB   SER  25          1HB       SER  25  -2.650  -5.701 -14.112
  208    HG   SER  25           HG       SER  25  -2.286  -6.243 -11.777
  209    H    THR  26           H        THR  26   0.870  -4.010 -15.721
  210    HA   THR  26           HA       THR  26   1.076  -4.159 -18.048
  211    HB   THR  26           HB       THR  26  -1.331  -5.992 -17.921
  212    HG1  THR  26           HG1      THR  26  -0.095  -7.464 -17.061
  213   1HG2  THR  26          1HG2      THR  26   1.011  -5.630 -19.792
  214   2HG2  THR  26          3HG2      THR  26   0.020  -7.090 -19.796
  215   3HG2  THR  26          2HG2      THR  26  -0.709  -5.527 -20.170
  216    H    SER  27           H        SER  27  -0.227  -1.905 -17.215
  217    HA   SER  27           HA       SER  27  -1.628  -0.192 -17.983
  218   1HB   SER  27          2HB       SER  27  -1.195  -1.934 -20.354
  219   2HB   SER  27          1HB       SER  27  -2.551  -0.813 -20.446
  220    HG   SER  27           HG       SER  27  -0.032  -0.270 -20.838
  221    H    GLY  28           H        GLY  28  -3.031  -1.298 -16.217
  222   1HA   GLY  28          2HA       GLY  28  -5.691  -1.837 -17.428
  223   2HA   GLY  28          1HA       GLY  28  -5.059  -3.004 -16.267
  224    H    GLU  29           H        GLU  29  -5.411  -2.606 -14.123
  225    HA   GLU  29           HA       GLU  29  -5.960   0.166 -13.222
  226   1HB   GLU  29          2HB       GLU  29  -8.022  -0.587 -12.029
  227   2HB   GLU  29          1HB       GLU  29  -8.179  -0.685 -13.783
  228   1HG   GLU  29          2HG       GLU  29  -7.368  -3.134 -13.509
  229   2HG   GLU  29          1HG       GLU  29  -7.776  -2.925 -11.805
  230    H    SER  30           H        SER  30  -5.654  -3.267 -12.280
  231    HA   SER  30           HA       SER  30  -5.189  -2.841  -9.506
  232   1HB   SER  30          2HB       SER  30  -3.791  -5.027 -11.019
  233   2HB   SER  30          1HB       SER  30  -4.535  -5.083  -9.424
  234    HG   SER  30           HG       SER  30  -5.609  -5.571 -11.861
  235    H    ILE  31           H        ILE  31  -3.035  -3.203  -8.407
  236    HA   ILE  31           HA       ILE  31  -0.858  -1.820  -9.928
  237    HB   ILE  31           HB       ILE  31  -1.269  -1.835  -6.922
  238   1HG1  ILE  31          2HG1      ILE  31  -1.879   0.404  -8.875
  239   2HG1  ILE  31          1HG1      ILE  31  -3.109  -0.679  -8.225
  240   1HG2  ILE  31          1HG2      ILE  31   0.621  -0.466  -8.830
  241   2HG2  ILE  31          3HG2      ILE  31   0.253   0.251  -7.261
  242   3HG2  ILE  31          2HG2      ILE  31   0.994  -1.347  -7.348
  243   1HD1  ILE  31          3HD1      ILE  31  -1.287   0.601  -6.252
  244   2HD1  ILE  31          2HD1      ILE  31  -2.469   1.650  -7.036
  245   3HD1  ILE  31          1HD1      ILE  31  -3.008   0.240  -6.124
  246    H    VAL  32           H        VAL  32   1.300  -2.606  -9.582
  247    HA   VAL  32           HA       VAL  32   1.468  -5.270  -8.231
  248    HB   VAL  32           HB       VAL  32   2.816  -4.514 -10.842
  249   1HG1  VAL  32          2HG1      VAL  32   2.941  -6.845  -8.989
  250   2HG1  VAL  32          1HG1      VAL  32   2.933  -7.198 -10.716
  251   3HG1  VAL  32          3HG1      VAL  32   4.192  -6.171 -10.032
  252   1HG2  VAL  32          2HG2      VAL  32   0.292  -4.812 -10.928
  253   2HG2  VAL  32          1HG2      VAL  32   1.208  -5.933 -11.935
  254   3HG2  VAL  32          3HG2      VAL  32   0.549  -6.473 -10.392
  255    H    VAL  33           H        VAL  33   2.916  -5.114  -6.594
  256    HA   VAL  33           HA       VAL  33   5.124  -3.114  -6.832
  257    HB   VAL  33           HB       VAL  33   4.089  -4.568  -4.381
  258   1HG1  VAL  33          3HG1      VAL  33   6.358  -2.714  -4.893
  259   2HG1  VAL  33          2HG1      VAL  33   5.412  -2.410  -3.436
  260   3HG1  VAL  33          1HG1      VAL  33   6.189  -3.976  -3.672
  261   1HG2  VAL  33          2HG2      VAL  33   2.721  -2.669  -5.699
  262   2HG2  VAL  33          1HG2      VAL  33   2.730  -2.759  -3.937
  263   3HG2  VAL  33          3HG2      VAL  33   3.796  -1.625  -4.767
  264    HA   PRO  34           HA       PRO  34   7.463  -6.916  -7.206
  265   1HB   PRO  34          2HB       PRO  34   9.654  -5.873  -8.483
  266   2HB   PRO  34          1HB       PRO  34   8.175  -6.362  -9.329
  267   1HG   PRO  34          2HG       PRO  34   9.173  -3.629  -8.733
  268   2HG   PRO  34          1HG       PRO  34   8.083  -4.174 -10.020
  269   1HD   PRO  34          2HD       PRO  34   7.324  -2.874  -7.615
  270   2HD   PRO  34          1HD       PRO  34   6.240  -3.655  -8.782
  271    H    ASN  35           H        ASN  35   8.669  -3.756  -6.158
  272    HA   ASN  35           HA       ASN  35  10.362  -5.158  -4.130
  273   1HB   ASN  35          2HB       ASN  35  10.959  -2.636  -5.699
  274   2HB   ASN  35          1HB       ASN  35  11.865  -3.120  -4.264
  275   1HD2  ASN  35          2HD2      ASN  35  12.563  -4.985  -7.802
  276   2HD2  ASN  35          1HD2      ASN  35  11.409  -3.749  -7.672
  277    H    ARG  36           H        ARG  36   8.525  -4.979  -2.694
  278    HA   ARG  36           HA       ARG  36   7.158  -2.578  -2.044
  279   1HB   ARG  36          2HB       ARG  36   6.596  -3.732   0.088
  280   2HB   ARG  36          1HB       ARG  36   6.356  -4.769  -1.317
  281   1HG   ARG  36          2HG       ARG  36   8.827  -5.527  -0.845
  282   2HG   ARG  36          1HG       ARG  36   8.527  -4.874   0.762
  283   1HD   ARG  36          2HD       ARG  36   6.266  -6.467  -0.007
  284   2HD   ARG  36          1HD       ARG  36   7.734  -7.406  -0.266
  285    HE   ARG  36           HE       ARG  36   7.401  -6.021   2.341
  286   1HH1  ARG  36          2HH1      ARG  36   9.557  -7.874   2.337
  287   2HH1  ARG  36          1HH1      ARG  36   8.861  -9.378   2.840
  288   1HH2  ARG  36          1HH2      ARG  36   5.601  -8.397   2.169
  289   2HH2  ARG  36          2HH2      ARG  36   6.618  -9.675   2.743
  290    H    GLU  37           H        GLU  37  10.335  -3.681  -1.112
  291    HA   GLU  37           HA       GLU  37  10.539  -1.828   1.155
  292   1HB   GLU  37          2HB       GLU  37  11.718  -4.071   1.017
  293   2HB   GLU  37          1HB       GLU  37  12.788  -3.346  -0.184
  294   1HG   GLU  37          2HG       GLU  37  13.786  -1.930   1.357
  295   2HG   GLU  37          1HG       GLU  37  12.367  -1.901   2.405
  296    H    ARG  38           H        ARG  38  11.960  -2.027  -2.122
  297    HA   ARG  38           HA       ARG  38  13.525   0.360  -1.874
  298   1HB   ARG  38          2HB       ARG  38  12.504  -1.248  -4.200
  299   2HB   ARG  38          1HB       ARG  38  13.330   0.286  -4.475
  300   1HG   ARG  38          2HG       ARG  38  15.250  -0.536  -3.122
  301   2HG   ARG  38          1HG       ARG  38  14.435  -2.090  -2.945
  302   1HD   ARG  38          2HD       ARG  38  14.996  -2.748  -5.043
  303   2HD   ARG  38          1HD       ARG  38  14.623  -1.170  -5.735
  304    HE   ARG  38           HE       ARG  38  16.960  -0.676  -4.394
  305   1HH1  ARG  38          1HH2      ARG  38  18.273  -3.076  -4.397
  306   2HH1  ARG  38          2HH2      ARG  38  18.818  -3.363  -6.015
  307   1HH2  ARG  38          2HH1      ARG  38  16.653  -1.061  -7.440
  308   2HH2  ARG  38          1HH1      ARG  38  17.902  -2.224  -7.736
  309    H    PHE  39           H        PHE  39  10.363  -0.127  -3.500
  310    HA   PHE  39           HA       PHE  39   9.904   2.535  -4.272
  311   1HB   PHE  39          2HB       PHE  39   8.417   0.887  -5.110
  312   2HB   PHE  39          1HB       PHE  39   8.028   0.294  -3.499
  313    HD1  PHE  39           HD2      PHE  39   6.556   1.583  -2.001
  314    HD2  PHE  39           HD1      PHE  39   7.305   2.854  -6.039
  315    HE1  PHE  39           HE2      PHE  39   4.606   3.113  -1.883
  316    HE2  PHE  39           HE1      PHE  39   5.361   4.385  -5.917
  317    HZ   PHE  39           HZ       PHE  39   4.010   4.516  -3.839
  318    H    VAL  40           H        VAL  40   8.781   1.011  -1.209
  319    HA   VAL  40           HA       VAL  40   7.597   3.311  -0.087
  320    HB   VAL  40           HB       VAL  40   9.029   1.025   1.313
  321   1HG1  VAL  40          1HG1      VAL  40   7.374   3.317   2.345
  322   2HG1  VAL  40          3HG1      VAL  40   7.305   1.755   3.162
  323   3HG1  VAL  40          2HG1      VAL  40   8.840   2.611   3.023
  324   1HG2  VAL  40          3HG2      VAL  40   6.934   0.693  -0.245
  325   2HG2  VAL  40          2HG2      VAL  40   6.974  -0.088   1.337
  326   3HG2  VAL  40          1HG2      VAL  40   6.053   1.398   1.110
  327    H    GLN  41           H        GLN  41  10.916   2.114   0.507
  328    HA   GLN  41           HA       GLN  41  11.655   4.521   1.952
  329   1HB   GLN  41          2HB       GLN  41  12.714   1.908   1.583
  330   2HB   GLN  41          1HB       GLN  41  13.967   3.039   1.079
  331   1HG   GLN  41          2HG       GLN  41  14.452   3.393   3.251
  332   2HG   GLN  41          1HG       GLN  41  12.864   4.131   3.448
  333   1HE2  GLN  41          2HE2      GLN  41  13.440   0.253   4.663
  334   2HE2  GLN  41          1HE2      GLN  41  14.547   0.970   3.594
  335    H    GLU  42           H        GLU  42  11.216   4.200  -1.321
  336    HA   GLU  42           HA       GLU  42  13.277   6.304  -1.819
  337   1HB   GLU  42          2HB       GLU  42  12.591   3.979  -3.635
  338   2HB   GLU  42          1HB       GLU  42  13.617   5.337  -4.096
  339   1HG   GLU  42          2HG       GLU  42  14.915   4.725  -1.886
  340   2HG   GLU  42          1HG       GLU  42  14.155   3.150  -2.113
  341    H    VAL  43           H        VAL  43  10.056   5.861  -1.653
  342    HA   VAL  43           HA       VAL  43   9.553   8.051  -3.558
  343    HB   VAL  43           HB       VAL  43   7.883   5.540  -3.812
  344   1HG1  VAL  43          1HG1      VAL  43   7.520   8.184  -4.670
  345   2HG1  VAL  43          3HG1      VAL  43   8.087   7.333  -6.106
  346   3HG1  VAL  43          2HG1      VAL  43   6.652   6.766  -5.253
  347   1HG2  VAL  43          2HG2      VAL  43  10.218   6.422  -5.547
  348   2HG2  VAL  43          1HG2      VAL  43  10.185   4.992  -4.515
  349   3HG2  VAL  43          3HG2      VAL  43   9.121   5.092  -5.913
  350    H    LEU  44           H        LEU  44   8.296   5.894  -1.019
  351    HA   LEU  44           HA       LEU  44   5.749   7.003  -0.648
  352   1HB   LEU  44          2HB       LEU  44   6.904   5.037   0.589
  353   2HB   LEU  44          1HB       LEU  44   7.465   6.273   1.713
  354    HG   LEU  44           HG       LEU  44   5.080   7.031   1.961
  355   1HD1  LEU  44          3HD1      LEU  44   4.678   4.608   0.204
  356   2HD1  LEU  44          2HD1      LEU  44   3.403   5.188   1.278
  357   3HD1  LEU  44          1HD1      LEU  44   4.023   6.233   0.000
  358   1HD2  LEU  44          1HD2      LEU  44   6.321   5.311   3.452
  359   2HD2  LEU  44          3HD2      LEU  44   4.565   5.385   3.577
  360   3HD2  LEU  44          2HD2      LEU  44   5.328   4.101   2.641
  361    HA   PRO  45           HA       PRO  45   7.502  10.330   2.209
  362   1HB   PRO  45          2HB       PRO  45  10.173  10.936   2.124
  363   2HB   PRO  45          1HB       PRO  45   9.462   9.796   3.280
  364   1HG   PRO  45          2HG       PRO  45  11.110   9.239   0.869
  365   2HG   PRO  45          1HG       PRO  45  10.899   8.268   2.335
  366   1HD   PRO  45          2HD       PRO  45   9.646   7.810  -0.162
  367   2HD   PRO  45          1HD       PRO  45   9.231   7.041   1.380
  368    H    LYS  46           H        LYS  46   8.722   9.855  -1.023
  369    HA   LYS  46           HA       LYS  46   9.472  12.504  -1.716
  370   1HB   LYS  46          2HB       LYS  46   9.471  10.176  -3.057
  371   2HB   LYS  46          1HB       LYS  46   8.008  10.883  -3.742
  372   1HG   LYS  46          2HG       LYS  46   9.163  12.471  -4.889
  373   2HG   LYS  46          1HG       LYS  46  10.277  12.762  -3.554
  374   1HD   LYS  46          2HD       LYS  46  11.188  10.367  -4.205
  375   2HD   LYS  46          1HD       LYS  46  10.456  10.743  -5.764
  376   1HE   LYS  46          2HE       LYS  46  12.472  11.748  -6.163
  377   2HE   LYS  46          1HE       LYS  46  11.746  13.083  -5.267
  378   1HZ   LYS  46          3HZ       LYS  46  12.656  11.787  -3.230
  379   2HZ   LYS  46          2HZ       LYS  46  13.706  11.087  -4.367
  380   3HZ   LYS  46          1HZ       LYS  46  13.698  12.771  -4.137
  381    H    TYR  47           H        TYR  47   6.289  10.985  -1.504
  382    HA   TYR  47           HA       TYR  47   5.053  13.570  -2.346
  383   1HB   TYR  47          2HB       TYR  47   3.906  10.769  -2.190
  384   2HB   TYR  47          1HB       TYR  47   2.973  12.203  -2.623
  385    HD1  TYR  47           HD2      TYR  47   6.054  10.299  -3.566
  386    HD2  TYR  47           HD1      TYR  47   2.934  12.957  -4.854
  387    HE1  TYR  47           HE2      TYR  47   6.867  10.120  -5.904
  388    HE2  TYR  47           HE1      TYR  47   3.747  12.780  -7.191
  389    HH   TYR  47           HH       TYR  47   6.090  12.214  -8.284
  390    H    PHE  48           H        PHE  48   4.573  10.952   0.061
  391    HA   PHE  48           HA       PHE  48   3.071  12.831   1.781
  392   1HB   PHE  48          2HB       PHE  48   3.826   9.953   2.362
  393   2HB   PHE  48          1HB       PHE  48   2.584  10.912   3.164
  394    HD1  PHE  48           HD1      PHE  48   0.657  11.837   1.672
  395    HD2  PHE  48           HD2      PHE  48   3.286   8.647   0.499
  396    HE1  PHE  48           HE1      PHE  48  -0.996  11.101  -0.029
  397    HE2  PHE  48           HE2      PHE  48   1.636   7.911  -1.199
  398    HZ   PHE  48           HZ       PHE  48  -0.504   9.137  -1.462
  399    H    LYS  49           H        LYS  49   3.725  12.823   4.182
  400    HA   LYS  49           HA       LYS  49   6.709  12.914   4.384
  401   1HB   LYS  49          2HB       LYS  49   4.582  14.793   5.364
  402   2HB   LYS  49          1HB       LYS  49   6.103  14.669   6.249
  403   1HG   LYS  49          2HG       LYS  49   7.376  15.266   4.285
  404   2HG   LYS  49          1HG       LYS  49   5.938  15.177   3.266
  405   1HD   LYS  49          2HD       LYS  49   4.982  16.977   4.915
  406   2HD   LYS  49          1HD       LYS  49   6.677  17.252   5.313
  407   1HE   LYS  49          2HE       LYS  49   5.801  17.166   2.437
  408   2HE   LYS  49          1HE       LYS  49   5.594  18.641   3.381
  409   1HZ   LYS  49          1HZ       LYS  49   8.158  17.176   3.058
  410   2HZ   LYS  49          3HZ       LYS  49   7.723  18.570   2.194
  411   3HZ   LYS  49          2HZ       LYS  49   7.933  18.647   3.878
  412    H    HIS  50           H        HIS  50   4.125  13.186   6.831
  413    HA   HIS  50           HA       HIS  50   5.558  11.197   8.479
  414   1HB   HIS  50          2HB       HIS  50   3.027  12.719   9.163
  415   2HB   HIS  50          1HB       HIS  50   4.112  11.896  10.283
  416    HD1  HIS  50           HD1      HIS  50   6.833  12.903   9.410
  417    HD2  HIS  50           HD2      HIS  50   3.502  15.399   9.660
  418    HE1  HIS  50           HE1      HIS  50   7.720  15.263   9.651
  419    H    SER  51           H        SER  51   4.915   9.550   6.718
  420    HA   SER  51           HA       SER  51   2.620   8.033   7.718
  421   1HB   SER  51          2HB       SER  51   2.617   9.220   4.934
  422   2HB   SER  51          1HB       SER  51   1.591   7.868   5.405
  423    HG   SER  51           HG       SER  51   1.486  10.553   6.124
  424    H    ASN  52           H        ASN  52   2.795   5.838   7.181
  425    HA   ASN  52           HA       ASN  52   5.129   5.081   5.464
  426   1HB   ASN  52          2HB       ASN  52   4.185   3.719   8.009
  427   2HB   ASN  52          1HB       ASN  52   5.519   3.179   6.991
  428   1HD2  ASN  52          2HD2      ASN  52   7.788   5.244   8.697
  429   2HD2  ASN  52          1HD2      ASN  52   7.496   3.795   7.863
  430    H    PHE  53           H        PHE  53   4.759   2.380   5.340
  431    HA   PHE  53           HA       PHE  53   2.823   1.941   3.380
  432   1HB   PHE  53          2HB       PHE  53   4.716   0.402   4.679
  433   2HB   PHE  53          1HB       PHE  53   3.210  -0.378   5.154
  434    HD1  PHE  53           HD1      PHE  53   1.449  -0.196   2.916
  435    HD2  PHE  53           HD2      PHE  53   5.709  -0.727   2.907
  436    HE1  PHE  53           HE1      PHE  53   1.306  -1.268   0.689
  437    HE2  PHE  53           HE2      PHE  53   5.568  -1.801   0.677
  438    HZ   PHE  53           HZ       PHE  53   3.367  -2.072  -0.432
  439    H    ALA  54           H        ALA  54   2.335   2.105   6.847
  440    HA   ALA  54           HA       ALA  54  -0.189   0.724   6.941
  441   1HB   ALA  54          3HB       ALA  54   0.996   2.848   8.751
  442   2HB   ALA  54          2HB       ALA  54  -0.480   1.951   9.111
  443   3HB   ALA  54          1HB       ALA  54   1.062   1.100   8.988
  444    H    SER  55           H        SER  55   0.600   4.216   6.808
  445    HA   SER  55           HA       SER  55  -2.133   5.082   6.615
  446   1HB   SER  55          2HB       SER  55   0.544   6.313   6.154
  447   2HB   SER  55          1HB       SER  55  -0.850   7.119   5.444
  448    HG   SER  55           HG       SER  55  -1.756   7.285   7.469
  449    H    PHE  56           H        PHE  56   0.169   3.907   4.262
  450    HA   PHE  56           HA       PHE  56  -1.129   4.918   1.902
  451   1HB   PHE  56          2HB       PHE  56   1.242   3.892   2.173
  452   2HB   PHE  56          1HB       PHE  56   0.430   2.335   2.021
  453    HD1  PHE  56           HD2      PHE  56  -0.114   5.644   0.363
  454    HD2  PHE  56           HD1      PHE  56   0.796   1.481  -0.125
  455    HE1  PHE  56           HE2      PHE  56  -0.153   5.928  -2.104
  456    HE2  PHE  56           HE1      PHE  56   0.757   1.758  -2.590
  457    HZ   PHE  56           HZ       PHE  56   0.282   3.984  -3.579
  458    H    VAL  57           H        VAL  57  -1.269   1.792   3.558
  459    HA   VAL  57           HA       VAL  57  -3.240   0.648   1.802
  460    HB   VAL  57           HB       VAL  57  -2.612  -0.117   4.671
  461   1HG1  VAL  57          2HG1      VAL  57  -3.952  -1.541   2.361
  462   2HG1  VAL  57          1HG1      VAL  57  -3.332  -2.393   3.774
  463   3HG1  VAL  57          3HG1      VAL  57  -4.621  -1.205   3.957
  464   1HG2  VAL  57          2HG2      VAL  57  -0.680  -0.001   2.917
  465   2HG2  VAL  57          1HG2      VAL  57  -0.865  -1.471   3.872
  466   3HG2  VAL  57          3HG2      VAL  57  -1.455  -1.419   2.212
  467    H    ARG  58           H        ARG  58  -3.466   2.792   4.559
  468    HA   ARG  58           HA       ARG  58  -6.251   2.174   5.139
  469   1HB   ARG  58          2HB       ARG  58  -4.373   3.416   6.592
  470   2HB   ARG  58          1HB       ARG  58  -5.124   4.838   5.863
  471   1HG   ARG  58          2HG       ARG  58  -7.247   4.332   6.780
  472   2HG   ARG  58          1HG       ARG  58  -6.787   2.671   7.148
  473   1HD   ARG  58          2HD       ARG  58  -5.443   3.322   8.976
  474   2HD   ARG  58          1HD       ARG  58  -5.366   4.999   8.435
  475    HE   ARG  58           HE       ARG  58  -8.092   4.218   9.000
  476   1HH1  ARG  58          1HH2      ARG  58  -6.302   6.713   9.727
  477   2HH1  ARG  58          2HH2      ARG  58  -6.469   6.681  11.451
  478   1HH2  ARG  58          2HH1      ARG  58  -7.797   3.480  11.529
  479   2HH2  ARG  58          1HH1      ARG  58  -7.316   4.851  12.470
  480    H    GLN  59           H        GLN  59  -4.572   4.631   3.187
  481    HA   GLN  59           HA       GLN  59  -6.979   6.103   2.534
  482   1HB   GLN  59          2HB       GLN  59  -4.230   5.967   1.274
  483   2HB   GLN  59          1HB       GLN  59  -5.519   6.961   0.601
  484   1HG   GLN  59          2HG       GLN  59  -4.414   7.171   3.418
  485   2HG   GLN  59          1HG       GLN  59  -4.081   8.288   2.096
  486   1HE2  GLN  59          2HE2      GLN  59  -7.268   9.894   2.296
  487   2HE2  GLN  59          1HE2      GLN  59  -5.932   9.608   1.289
  488    H    LEU  60           H        LEU  60  -5.018   3.737   0.715
  489    HA   LEU  60           HA       LEU  60  -6.703   3.593  -1.574
  490   1HB   LEU  60          2HB       LEU  60  -4.914   1.464  -0.362
  491   2HB   LEU  60          1HB       LEU  60  -5.573   1.428  -1.996
  492    HG   LEU  60           HG       LEU  60  -3.972   3.793  -1.042
  493   1HD1  LEU  60          2HD1      LEU  60  -3.018   1.059  -1.595
  494   2HD1  LEU  60          1HD1      LEU  60  -2.210   2.300  -2.554
  495   3HD1  LEU  60          3HD1      LEU  60  -2.196   2.398  -0.795
  496   1HD2  LEU  60          3HD2      LEU  60  -4.500   2.536  -3.755
  497   2HD2  LEU  60          2HD2      LEU  60  -5.241   4.012  -3.135
  498   3HD2  LEU  60          1HD2      LEU  60  -3.512   3.970  -3.480
  499    H    ASN  61           H        ASN  61  -6.789   1.813   1.491
  500    HA   ASN  61           HA       ASN  61  -8.837  -0.050   0.685
  501   1HB   ASN  61          2HB       ASN  61  -7.684   0.831   3.314
  502   2HB   ASN  61          1HB       ASN  61  -9.145  -0.157   3.289
  503   1HD2  ASN  61          2HD2      ASN  61  -7.329  -3.106   2.722
  504   2HD2  ASN  61          1HD2      ASN  61  -8.737  -2.363   3.313
  505    H    MET  62           H        MET  62  -8.905   3.195   2.057
  506    HA   MET  62           HA       MET  62 -11.769   3.085   2.637
  507   1HB   MET  62          2HB       MET  62  -9.723   4.647   3.553
  508   2HB   MET  62          1HB       MET  62 -10.478   5.734   2.388
  509   1HG   MET  62          2HG       MET  62 -11.825   6.217   4.183
  510   2HG   MET  62          1HG       MET  62 -12.700   4.805   3.594
  511   1HE   MET  62          3HE       MET  62 -13.601   5.283   5.881
  512   2HE   MET  62          2HE       MET  62 -13.679   3.524   5.903
  513   3HE   MET  62          1HE       MET  62 -13.076   4.389   7.315
  514    H    TYR  63           H        TYR  63 -10.174   3.192  -0.273
  515    HA   TYR  63           HA       TYR  63 -12.229   4.988  -1.484
  516   1HB   TYR  63          2HB       TYR  63  -9.400   4.321  -2.269
  517   2HB   TYR  63          1HB       TYR  63 -10.548   4.913  -3.471
  518    HD1  TYR  63           HD2      TYR  63 -12.111   6.924  -2.358
  519    HD2  TYR  63           HD1      TYR  63  -8.031   5.989  -1.396
  520    HE1  TYR  63           HE2      TYR  63 -11.769   9.245  -1.552
  521    HE2  TYR  63           HE1      TYR  63  -7.688   8.311  -0.592
  522    HH   TYR  63           HH       TYR  63 -10.234  10.433   0.026
  523    H    GLY  64           H        GLY  64 -10.743   1.780  -1.628
  524   1HA   GLY  64          2HA       GLY  64 -12.814   0.255  -2.437
  525   2HA   GLY  64          1HA       GLY  64 -12.408   1.044  -3.958
  526    H    TRP  65           H        TRP  65  -9.481   1.063  -3.128
  527    HA   TRP  65           HA       TRP  65  -8.812  -1.514  -4.309
  528   1HB   TRP  65          2HB       TRP  65  -6.985   0.533  -3.021
  529   2HB   TRP  65          1HB       TRP  65  -6.495  -0.769  -4.103
  530    HD1  TRP  65           HD1      TRP  65  -7.480   2.768  -4.120
  531    HE1  TRP  65           HE1      TRP  65  -7.968   3.575  -6.520
  532    HE3  TRP  65           HE3      TRP  65  -7.696  -1.726  -6.533
  533    HZ2  TRP  65           HZ2      TRP  65  -8.394   2.459  -9.120
  534    HZ3  TRP  65           HZ3      TRP  65  -8.143  -1.825  -8.969
  535    HH2  TRP  65           HH2      TRP  65  -8.493   0.258 -10.264
  536    H    HIS  66           H        HIS  66  -8.454  -3.380  -3.218
  537    HA   HIS  66           HA       HIS  66  -7.585  -3.247  -0.374
  538   1HB   HIS  66          2HB       HIS  66  -9.830  -5.027  -1.374
  539   2HB   HIS  66          1HB       HIS  66  -9.225  -4.936   0.279
  540    HD1  HIS  66           HD1      HIS  66 -11.523  -3.287  -2.101
  541    HD2  HIS  66           HD2      HIS  66  -9.821  -2.396   1.597
  542    HE1  HIS  66           HE1      HIS  66 -12.830  -1.330  -1.166
  543    H    LYS  67           H        LYS  67  -6.313  -5.045   0.262
  544    HA   LYS  67           HA       LYS  67  -4.851  -6.365  -1.839
  545   1HB   LYS  67          2HB       LYS  67  -4.845  -6.330   1.117
  546   2HB   LYS  67          1HB       LYS  67  -4.313  -7.855   0.409
  547   1HG   LYS  67          2HG       LYS  67  -2.559  -6.806  -0.803
  548   2HG   LYS  67          1HG       LYS  67  -3.237  -5.198  -0.544
  549   1HD   LYS  67          2HD       LYS  67  -1.364  -5.457   0.961
  550   2HD   LYS  67          1HD       LYS  67  -2.839  -5.512   1.926
  551   1HE   LYS  67          2HE       LYS  67  -1.885  -7.406   2.777
  552   2HE   LYS  67          1HE       LYS  67  -2.564  -8.148   1.329
  553   1HZ   LYS  67          3HZ       LYS  67  -0.345  -7.363   0.274
  554   2HZ   LYS  67          2HZ       LYS  67   0.209  -7.341   1.880
  555   3HZ   LYS  67          1HZ       LYS  67  -0.380  -8.783   1.199
  556    H    VAL  68           H        VAL  68  -4.624  -8.897  -1.684
  557    HA   VAL  68           HA       VAL  68  -7.386 -10.040  -1.636
  558    HB   VAL  68           HB       VAL  68  -6.429  -9.919  -3.905
  559   1HG1  VAL  68          1HG1      VAL  68  -4.018 -10.533  -2.630
  560   2HG1  VAL  68          3HG1      VAL  68  -4.394 -11.979  -3.566
  561   3HG1  VAL  68          2HG1      VAL  68  -4.281 -10.415  -4.369
  562   1HG2  VAL  68          1HG2      VAL  68  -7.594 -12.133  -2.704
  563   2HG2  VAL  68          3HG2      VAL  68  -7.373 -11.908  -4.439
  564   3HG2  VAL  68          2HG2      VAL  68  -6.183 -12.819  -3.510
  565    H    GLN  69           H        GLN  69  -7.377 -10.863   0.437
  566    HA   GLN  69           HA       GLN  69  -6.714 -12.123   2.308
  567   1HB   GLN  69          2HB       GLN  69  -6.387 -14.534   1.732
  568   2HB   GLN  69          1HB       GLN  69  -7.801 -13.813   0.970
  569   1HG   GLN  69          2HG       GLN  69  -6.644 -13.594  -1.135
  570   2HG   GLN  69          1HG       GLN  69  -5.112 -14.065  -0.399
  571   1HE2  GLN  69          2HE2      GLN  69  -7.920 -16.956  -1.189
  572   2HE2  GLN  69          1HE2      GLN  69  -8.399 -15.331  -1.105
  573    H    ASP  70           H        ASP  70  -4.589 -10.475   1.654
  574    HA   ASP  70           HA       ASP  70  -2.291 -10.227   2.026
  575   1HB   ASP  70          2HB       ASP  70  -3.232 -12.126   3.872
  576   2HB   ASP  70          1HB       ASP  70  -1.771 -12.847   3.199
  577    H    VAL  71           H        VAL  71  -0.109 -11.698   1.769
  578    HA   VAL  71           HA       VAL  71  -0.425 -13.138  -0.836
  579    HB   VAL  71           HB       VAL  71   1.901 -12.350  -1.339
  580   1HG1  VAL  71          2HG1      VAL  71  -0.312 -11.118  -1.936
  581   2HG1  VAL  71          1HG1      VAL  71   0.173  -9.966  -0.691
  582   3HG1  VAL  71          3HG1      VAL  71   1.206 -10.232  -2.097
  583   1HG2  VAL  71          3HG2      VAL  71   2.272 -11.956   1.238
  584   2HG2  VAL  71          2HG2      VAL  71   3.048 -10.880   0.076
  585   3HG2  VAL  71          1HG2      VAL  71   1.577 -10.370   0.904
  586    H    LYS  72           H        LYS  72  -0.462 -14.247   1.915
  587    HA   LYS  72           HA       LYS  72   0.294 -16.227   2.902
  588   1HB   LYS  72          2HB       LYS  72   0.746 -16.939   0.482
  589   2HB   LYS  72          1HB       LYS  72   2.417 -16.459   0.755
  590   1HG   LYS  72          2HG       LYS  72   2.472 -17.978   2.749
  591   2HG   LYS  72          1HG       LYS  72   0.855 -18.534   2.316
  592   1HD   LYS  72          2HD       LYS  72   1.607 -19.514   0.294
  593   2HD   LYS  72          1HD       LYS  72   3.133 -18.628   0.336
  594   1HE   LYS  72          2HE       LYS  72   3.973 -19.947   2.127
  595   2HE   LYS  72          1HE       LYS  72   2.378 -20.608   2.490
  596   1HZ   LYS  72          1HZ       LYS  72   2.439 -21.603   0.208
  597   2HZ   LYS  72          3HZ       LYS  72   4.075 -21.165   0.126
  598   3HZ   LYS  72          2HZ       LYS  72   3.551 -22.261   1.313
  599    H    SER  73           H        SER  73   3.434 -15.071   1.602
  600    HA   SER  73           HA       SER  73   4.455 -14.963   4.364
  601   1HB   SER  73          2HB       SER  73   5.701 -14.851   1.626
  602   2HB   SER  73          1HB       SER  73   6.612 -14.315   3.034
  603    HG   SER  73           HG       SER  73   6.225 -16.364   3.959
  604    H    GLY  74           H        GLY  74   2.954 -13.105   4.780
  605   1HA   GLY  74          2HA       GLY  74   3.019 -10.601   3.531
  606   2HA   GLY  74          1HA       GLY  74   2.698 -10.822   5.248
  607    H    SER  75           H        SER  75   5.438 -12.015   5.668
  608    HA   SER  75           HA       SER  75   7.097  -9.586   5.228
  609   1HB   SER  75          2HB       SER  75   7.866  -9.694   7.555
  610   2HB   SER  75          1HB       SER  75   6.111  -9.559   7.522
  611    HG   SER  75           HG       SER  75   6.313 -11.257   8.788
  612    H    MET  76           H        MET  76   8.950 -11.443   7.176
  613    HA   MET  76           HA       MET  76  10.778 -12.842   6.762
  614   1HB   MET  76          2HB       MET  76   8.492 -14.234   6.201
  615   2HB   MET  76          1HB       MET  76   9.358 -14.382   4.674
  616   1HG   MET  76          2HG       MET  76  10.085 -16.232   5.986
  617   2HG   MET  76          1HG       MET  76  11.399 -15.058   6.069
  618   1HE   MET  76          3HE       MET  76   8.170 -16.280   7.525
  619   2HE   MET  76          2HE       MET  76   9.319 -17.434   8.200
  620   3HE   MET  76          1HE       MET  76   8.435 -16.350   9.272
  621    H    LEU  77           H        LEU  77  12.038 -11.186   5.698
  622    HA   LEU  77           HA       LEU  77  11.853 -10.610   2.892
  623   1HB   LEU  77          2HB       LEU  77  13.163  -9.416   4.890
  624   2HB   LEU  77          1HB       LEU  77  14.489 -10.415   4.291
  625    HG   LEU  77           HG       LEU  77  13.929  -9.523   1.963
  626   1HD1  LEU  77          2HD1      LEU  77  11.660  -8.611   3.069
  627   2HD1  LEU  77          1HD1      LEU  77  12.663  -7.180   3.307
  628   3HD1  LEU  77          3HD1      LEU  77  12.407  -7.818   1.682
  629   1HD2  LEU  77          2HD2      LEU  77  15.755  -8.699   3.649
  630   2HD2  LEU  77          1HD2      LEU  77  15.376  -7.691   2.252
  631   3HD2  LEU  77          3HD2      LEU  77  14.707  -7.291   3.833
  632    H    SER  78           H        SER  78  13.145 -11.402   1.158
  633    HA   SER  78           HA       SER  78  14.242 -13.062  -0.080
  634   1HB   SER  78          2HB       SER  78  15.918 -12.442   1.975
  635   2HB   SER  78          1HB       SER  78  15.671 -14.160   2.276
  636    HG   SER  78           HG       SER  78  17.318 -14.057   0.839
  637    H    ASN  79           H        ASN  79  11.706 -13.745   0.815
  638    HA   ASN  79           HA       ASN  79  11.997 -16.686   1.143
  639   1HB   ASN  79          2HB       ASN  79  11.264 -15.043   3.273
  640   2HB   ASN  79          1HB       ASN  79   9.718 -15.614   2.653
  641   1HD2  ASN  79          2HD2      ASN  79  10.124 -18.728   4.223
  642   2HD2  ASN  79          1HD2      ASN  79   9.079 -17.506   3.679
  643    H    ASN  80           H        ASN  80  11.405 -15.229  -1.214
  644    HA   ASN  80           HA       ASN  80   9.860 -15.220  -2.981
  645   1HB   ASN  80          2HB       ASN  80   9.644 -17.667  -1.986
  646   2HB   ASN  80          1HB       ASN  80   8.065 -17.083  -1.460
  647   1HD2  ASN  80          2HD2      ASN  80   7.725 -18.504  -4.919
  648   2HD2  ASN  80          1HD2      ASN  80   8.251 -19.127  -3.430
  649    H    ASP  81           H        ASP  81   9.523 -12.991  -1.846
  650    HA   ASP  81           HA       ASP  81   6.605 -12.709  -1.310
  651   1HB   ASP  81          2HB       ASP  81   7.086 -11.111   0.511
  652   2HB   ASP  81          1HB       ASP  81   7.810 -12.676   0.860
  653    H    SER  82           H        SER  82   6.885  -9.805  -0.897
  654    HA   SER  82           HA       SER  82   7.028  -7.826  -2.135
  655   1HB   SER  82          2HB       SER  82   8.827  -8.972  -4.202
  656   2HB   SER  82          1HB       SER  82   8.956  -7.458  -3.311
  657    HG   SER  82           HG       SER  82  10.371  -9.514  -2.866
  658    H    ARG  83           H        ARG  83   4.914  -9.549  -2.669
  659    HA   ARG  83           HA       ARG  83   4.490  -9.049  -5.582
  660   1HB   ARG  83          2HB       ARG  83   3.841 -11.550  -4.003
  661   2HB   ARG  83          1HB       ARG  83   3.068 -11.180  -5.544
  662   1HG   ARG  83          2HG       ARG  83   6.063 -11.084  -5.337
  663   2HG   ARG  83          1HG       ARG  83   5.255 -12.642  -5.508
  664   1HD   ARG  83          2HD       ARG  83   4.307 -12.047  -7.599
  665   2HD   ARG  83          1HD       ARG  83   4.641 -10.333  -7.355
  666    HE   ARG  83           HE       ARG  83   7.157 -11.365  -7.363
  667   1HH1  ARG  83          1HH2      ARG  83   6.193 -13.779  -8.809
  668   2HH1  ARG  83          2HH2      ARG  83   6.329 -13.303 -10.469
  669   1HH2  ARG  83          2HH1      ARG  83   6.564  -9.917  -9.753
  670   2HH2  ARG  83          1HH1      ARG  83   6.540 -11.116 -11.004
  671    H    TRP  84           H        TRP  84   3.678  -7.139  -3.940
  672    HA   TRP  84           HA       TRP  84   1.014  -7.631  -2.833
  673   1HB   TRP  84          2HB       TRP  84   2.631  -5.101  -3.219
  674   2HB   TRP  84          1HB       TRP  84   1.046  -5.136  -2.459
  675    HD1  TRP  84           HD1      TRP  84   4.201  -7.357  -2.032
  676    HE1  TRP  84           HE1      TRP  84   4.688  -7.559   0.489
  677    HE3  TRP  84           HE3      TRP  84   0.459  -4.422  -0.177
  678    HZ2  TRP  84           HZ2      TRP  84   3.632  -6.600   2.968
  679    HZ3  TRP  84           HZ3      TRP  84   0.224  -4.080   2.266
  680    HH2  TRP  84           HH2      TRP  84   1.805  -5.164   3.839
  681    H    GLU  85           H        GLU  85  -0.494  -8.077  -4.392
  682    HA   GLU  85           HA       GLU  85  -0.634  -6.293  -6.776
  683   1HB   GLU  85          2HB       GLU  85  -0.679  -8.947  -6.798
  684   2HB   GLU  85          1HB       GLU  85  -2.384  -8.702  -6.421
  685   1HG   GLU  85          2HG       GLU  85  -2.198  -6.940  -8.409
  686   2HG   GLU  85          1HG       GLU  85  -0.869  -7.995  -8.895
  687    H    PHE  86           H        PHE  86  -1.877  -4.525  -6.268
  688    HA   PHE  86           HA       PHE  86  -4.081  -4.707  -4.349
  689   1HB   PHE  86          2HB       PHE  86  -2.966  -2.476  -6.056
  690   2HB   PHE  86          1HB       PHE  86  -4.413  -2.268  -5.071
  691    HD1  PHE  86           HD2      PHE  86  -0.907  -3.580  -4.792
  692    HD2  PHE  86           HD1      PHE  86  -4.166  -1.553  -2.861
  693    HE1  PHE  86           HE2      PHE  86   0.510  -3.204  -2.790
  694    HE2  PHE  86           HE1      PHE  86  -2.750  -1.181  -0.860
  695    HZ   PHE  86           HZ       PHE  86  -0.411  -2.006  -0.825
  696    H    GLU  87           H        GLU  87  -6.061  -5.414  -4.925
  697    HA   GLU  87           HA       GLU  87  -7.100  -4.702  -7.632
  698   1HB   GLU  87          2HB       GLU  87  -6.647  -7.380  -6.505
  699   2HB   GLU  87          1HB       GLU  87  -8.297  -7.144  -7.077
  700   1HG   GLU  87          2HG       GLU  87  -5.976  -6.292  -8.789
  701   2HG   GLU  87          1HG       GLU  87  -6.484  -7.980  -8.764
  702    H    ASN  88           H        ASN  88  -9.420  -4.471  -7.693
  703    HA   ASN  88           HA       ASN  88 -10.584  -3.905  -5.008
  704   1HB   ASN  88          2HB       ASN  88 -10.504  -2.134  -6.861
  705   2HB   ASN  88          1HB       ASN  88 -11.728  -3.098  -7.690
  706   1HD2  ASN  88          2HD2      ASN  88 -13.336  -0.530  -5.391
  707   2HD2  ASN  88          1HD2      ASN  88 -12.131  -0.389  -6.579
  708    H    GLU  89           H        GLU  89 -12.031  -5.345  -4.211
  709    HA   GLU  89           HA       GLU  89 -14.150  -6.509  -5.737
  710   1HB   GLU  89          2HB       GLU  89 -11.981  -7.778  -6.500
  711   2HB   GLU  89          1HB       GLU  89 -12.143  -8.603  -4.949
  712   1HG   GLU  89          2HG       GLU  89 -14.628  -8.950  -5.667
  713   2HG   GLU  89          1HG       GLU  89 -14.032  -8.603  -7.292
  714    H    ARG  90           H        ARG  90 -11.956  -7.300  -3.016
  715    HA   ARG  90           HA       ARG  90 -14.114  -8.371  -1.392
  716   1HB   ARG  90          2HB       ARG  90 -11.359  -8.520  -1.306
  717   2HB   ARG  90          1HB       ARG  90 -11.711  -7.433   0.036
  718   1HG   ARG  90          2HG       ARG  90 -13.497  -9.163   0.731
  719   2HG   ARG  90          1HG       ARG  90 -12.687 -10.261  -0.389
  720   1HD   ARG  90          2HD       ARG  90 -10.588 -10.023   0.814
  721   2HD   ARG  90          1HD       ARG  90 -11.288  -8.794   1.866
  722    HE   ARG  90           HE       ARG  90 -12.845 -11.192   2.046
  723   1HH1  ARG  90          1HH2      ARG  90 -11.359  -9.305   4.115
  724   2HH1  ARG  90          2HH2      ARG  90 -10.461 -10.508   4.980
  725   1HH2  ARG  90          2HH1      ARG  90 -11.014 -12.992   2.625
  726   2HH2  ARG  90          1HH1      ARG  90 -10.266 -12.596   4.136
  727    H    HIS  91           H        HIS  91 -14.751  -7.382   0.721
  728    HA   HIS  91           HA       HIS  91 -14.753  -4.392   0.557
  729   1HB   HIS  91          2HB       HIS  91 -16.926  -6.347   0.934
  730   2HB   HIS  91          1HB       HIS  91 -16.942  -5.037   2.114
  731    HD1  HIS  91           HD1      HIS  91 -16.089  -5.024  -1.613
  732    HD2  HIS  91           HD2      HIS  91 -18.663  -3.144   1.075
  733    HE1  HIS  91           HE1      HIS  91 -17.352  -3.271  -2.936
  734    H    ALA  92           HN       ALA  92 -14.459  -3.258   2.499
  735    HA   ALA  92           HA       ALA  92 -12.891  -4.606   4.528
  736   1HB   ALA  92          2HB       ALA  92 -13.068  -2.028   3.689
  737   2HB   ALA  92          1HB       ALA  92 -14.052  -1.948   5.151
  738   3HB   ALA  92          3HB       ALA  92 -12.379  -2.496   5.243
   
  No H/Q in entry =         738
  Start of MODEL          30
 Raw file had  756 H/Q atoms
  Start of MODEL   30
    1   1H    ALA   1          3H        ALA   1 -15.220  15.192  -5.443
    2   2H    ALA   1          2H        ALA   1 -15.642  15.745  -6.992
    3   3H    ALA   1          1H        ALA   1 -16.852  15.411  -5.846
    4    HA   ALA   1           HA       ALA   1 -16.614  13.135  -6.027
    5   1HB   ALA   1          2HB       ALA   1 -16.213  14.533  -8.665
    6   2HB   ALA   1          1HB       ALA   1 -16.303  12.772  -8.595
    7   3HB   ALA   1          3HB       ALA   1 -17.662  13.747  -8.038
    8    H    ARG   2           H        ARG   2 -13.798  14.817  -7.384
    9    HA   ARG   2           HA       ARG   2 -12.214  12.305  -7.199
   10   1HB   ARG   2          2HB       ARG   2 -11.621  14.995  -8.459
   11   2HB   ARG   2          1HB       ARG   2 -10.467  13.664  -8.396
   12   1HG   ARG   2          2HG       ARG   2 -11.375  12.946 -10.338
   13   2HG   ARG   2          1HG       ARG   2 -12.782  12.467  -9.391
   14   1HD   ARG   2          2HD       ARG   2 -13.400  13.922 -11.311
   15   2HD   ARG   2          1HD       ARG   2 -13.812  14.661  -9.763
   16    HE   ARG   2           HE       ARG   2 -11.175  15.472 -10.610
   17   1HH1  ARG   2          2HH1      ARG   2 -13.040  17.386  -9.379
   18   2HH1  ARG   2          1HH1      ARG   2 -13.536  18.367 -10.717
   19   1HH2  ARG   2          1HH2      ARG   2 -12.456  16.108 -13.116
   20   2HH2  ARG   2          2HH2      ARG   2 -13.204  17.644 -12.833
   21    HA   PRO   3           HA       PRO   3 -10.934  14.311  -3.369
   22   1HB   PRO   3          2HB       PRO   3  -9.843  12.091  -2.182
   23   2HB   PRO   3          1HB       PRO   3 -11.568  12.493  -2.104
   24   1HG   PRO   3          2HG       PRO   3 -10.205  10.387  -3.694
   25   2HG   PRO   3          1HG       PRO   3 -11.880  10.458  -3.123
   26   1HD   PRO   3          2HD       PRO   3 -10.983  11.016  -5.752
   27   2HD   PRO   3          1HD       PRO   3 -12.598  11.348  -5.098
   28    H    ALA   4           H        ALA   4  -8.788  14.784  -2.512
   29    HA   ALA   4           HA       ALA   4  -6.730  14.902  -4.508
   30   1HB   ALA   4          1HB       ALA   4  -6.993  16.504  -2.590
   31   2HB   ALA   4          3HB       ALA   4  -6.410  15.233  -1.514
   32   3HB   ALA   4          2HB       ALA   4  -5.353  15.878  -2.770
   33    H    PHE   5           H        PHE   5  -7.550  12.480  -2.134
   34    HA   PHE   5           HA       PHE   5  -4.961  11.261  -1.903
   35   1HB   PHE   5          2HB       PHE   5  -6.828  10.801  -0.333
   36   2HB   PHE   5          1HB       PHE   5  -7.696   9.976  -1.627
   37    HD1  PHE   5           HD2      PHE   5  -4.424   9.941   0.201
   38    HD2  PHE   5           HD1      PHE   5  -7.343   7.689  -2.005
   39    HE1  PHE   5           HE2      PHE   5  -3.180   7.850   0.686
   40    HE2  PHE   5           HE1      PHE   5  -6.100   5.600  -1.519
   41    HZ   PHE   5           HZ       PHE   5  -4.018   5.680  -0.174
   42    H    VAL   6           H        VAL   6  -7.815  10.155  -3.779
   43    HA   VAL   6           HA       VAL   6  -6.424   8.190  -5.298
   44    HB   VAL   6           HB       VAL   6  -8.856   9.802  -6.137
   45   1HG1  VAL   6          1HG1      VAL   6  -7.400   8.068  -7.663
   46   2HG1  VAL   6          3HG1      VAL   6  -8.539   6.958  -6.902
   47   3HG1  VAL   6          2HG1      VAL   6  -9.134   8.320  -7.851
   48   1HG2  VAL   6          2HG2      VAL   6  -8.646   8.320  -3.852
   49   2HG2  VAL   6          1HG2      VAL   6 -10.147   8.517  -4.755
   50   3HG2  VAL   6          3HG2      VAL   6  -9.152   7.081  -4.998
   51    H    ASN   7           H        ASN   7  -6.842  11.654  -5.786
   52    HA   ASN   7           HA       ASN   7  -5.872  11.758  -8.486
   53   1HB   ASN   7          2HB       ASN   7  -6.083  13.765  -6.245
   54   2HB   ASN   7          1HB       ASN   7  -5.302  14.193  -7.767
   55   1HD2  ASN   7          2HD2      ASN   7  -8.831  15.109  -8.270
   56   2HD2  ASN   7          1HD2      ASN   7  -7.490  15.678  -7.399
   57    H    LYS   8           H        LYS   8  -4.271  11.702  -5.344
   58    HA   LYS   8           HA       LYS   8  -1.654  12.387  -6.386
   59   1HB   LYS   8          2HB       LYS   8  -0.973  12.345  -4.199
   60   2HB   LYS   8          1HB       LYS   8  -2.699  12.376  -3.883
   61   1HG   LYS   8          2HG       LYS   8  -2.467   9.741  -4.018
   62   2HG   LYS   8          1HG       LYS   8  -0.774  10.077  -3.664
   63   1HD   LYS   8          2HD       LYS   8  -1.831  11.617  -1.769
   64   2HD   LYS   8          1HD       LYS   8  -3.187  10.509  -1.956
   65   1HE   LYS   8          2HE       LYS   8  -0.331   9.776  -1.279
   66   2HE   LYS   8          1HE       LYS   8  -1.746   9.606  -0.244
   67   1HZ   LYS   8          1HZ       LYS   8  -2.515   8.215  -2.390
   68   2HZ   LYS   8          3HZ       LYS   8  -0.841   7.938  -2.438
   69   3HZ   LYS   8          2HZ       LYS   8  -1.729   7.526  -1.051
   70    H    LEU   9           H        LEU   9  -3.487   9.431  -6.021
   71    HA   LEU   9           HA       LEU   9  -1.321   7.566  -6.246
   72   1HB   LEU   9          2HB       LEU   9  -3.800   7.155  -5.605
   73   2HB   LEU   9          1HB       LEU   9  -4.083   7.057  -7.343
   74    HG   LEU   9           HG       LEU   9  -2.169   5.355  -7.407
   75   1HD1  LEU   9          3HD1      LEU   9  -1.689   6.141  -4.869
   76   2HD1  LEU   9          2HD1      LEU   9  -2.749   4.770  -4.548
   77   3HD1  LEU   9          1HD1      LEU   9  -1.260   4.538  -5.463
   78   1HD2  LEU   9          1HD2      LEU   9  -4.893   4.989  -6.236
   79   2HD2  LEU   9          3HD2      LEU   9  -4.217   4.334  -7.727
   80   3HD2  LEU   9          2HD2      LEU   9  -3.790   3.614  -6.174
   81    H    TRP  10           H        TRP  10  -3.254   9.271  -8.687
   82    HA   TRP  10           HA       TRP  10  -2.080   7.778 -10.909
   83   1HB   TRP  10          2HB       TRP  10  -3.493  10.439 -11.121
   84   2HB   TRP  10          1HB       TRP  10  -3.361   9.180 -12.344
   85    HD1  TRP  10           HD1      TRP  10  -6.010  10.523 -10.706
   86    HE1  TRP  10           HE1      TRP  10  -7.780   8.836  -9.894
   87    HE3  TRP  10           HE3      TRP  10  -3.260   6.208 -10.828
   88    HZ2  TRP  10           HZ2      TRP  10  -8.005   6.040  -9.366
   89    HZ3  TRP  10           HZ3      TRP  10  -4.283   4.054 -10.163
   90    HH2  TRP  10           HH2      TRP  10  -6.649   3.963  -9.434
   91    H    SER  11           H        SER  11  -0.710  10.049  -8.906
   92    HA   SER  11           HA       SER  11   0.841  11.346 -11.091
   93   1HB   SER  11          2HB       SER  11   1.184  12.127  -8.229
   94   2HB   SER  11          1HB       SER  11   1.208  13.131  -9.675
   95    HG   SER  11           HG       SER  11  -0.904  13.318  -9.582
   96    H    MET  12           H        MET  12   1.230   9.466  -8.102
   97    HA   MET  12           HA       MET  12   4.151   9.306  -8.480
   98   1HB   MET  12          2HB       MET  12   4.101   7.937  -6.422
   99   2HB   MET  12          1HB       MET  12   3.244   9.459  -6.202
  100   1HG   MET  12          2HG       MET  12   1.506   8.213  -5.457
  101   2HG   MET  12          1HG       MET  12   1.252   7.763  -7.140
  102   1HE   MET  12          1HE       MET  12   0.988   6.711  -4.077
  103   2HE   MET  12          3HE       MET  12   1.606   5.068  -3.855
  104   3HE   MET  12          2HE       MET  12   2.659   6.454  -3.582
  105    H    VAL  13           H        VAL  13   1.306   7.348  -9.119
  106    HA   VAL  13           HA       VAL  13   2.923   4.953  -9.684
  107    HB   VAL  13           HB       VAL  13  -0.013   5.351 -10.308
  108   1HG1  VAL  13          3HG1      VAL  13   1.717   2.920  -9.751
  109   2HG1  VAL  13          2HG1      VAL  13  -0.027   2.877 -10.006
  110   3HG1  VAL  13          1HG1      VAL  13   1.043   3.373 -11.314
  111   1HG2  VAL  13          3HG2      VAL  13   0.572   5.862  -7.894
  112   2HG2  VAL  13          2HG2      VAL  13  -0.518   4.493  -8.106
  113   3HG2  VAL  13          1HG2      VAL  13   1.190   4.217  -7.765
  114    H    ASN  14           H        ASN  14   2.273   7.781 -11.394
  115    HA   ASN  14           HA       ASN  14   1.761   6.734 -14.018
  116   1HB   ASN  14          2HB       ASN  14   2.564   8.939 -14.820
  117   2HB   ASN  14          1HB       ASN  14   1.408   9.104 -13.502
  118   1HD2  ASN  14          2HD2      ASN  14   4.079  11.377 -12.494
  119   2HD2  ASN  14          1HD2      ASN  14   2.762  11.323 -13.562
  120    H    ASP  15           H        ASP  15   4.562   6.583 -12.041
  121    HA   ASP  15           HA       ASP  15   6.687   5.731 -12.439
  122   1HB   ASP  15          2HB       ASP  15   5.624   4.987 -15.182
  123   2HB   ASP  15          1HB       ASP  15   7.031   4.306 -14.370
  124    H    LYS  16           H        LYS  16   6.491   8.431 -12.701
  125    HA   LYS  16           HA       LYS  16   7.787   9.158 -15.267
  126   1HB   LYS  16          2HB       LYS  16   5.953  10.596 -14.281
  127   2HB   LYS  16          1HB       LYS  16   7.049  10.986 -12.957
  128   1HG   LYS  16          2HG       LYS  16   7.617  12.729 -14.330
  129   2HG   LYS  16          1HG       LYS  16   8.674  11.515 -15.052
  130   1HD   LYS  16          2HD       LYS  16   6.619  10.933 -16.537
  131   2HD   LYS  16          1HD       LYS  16   6.002  12.505 -16.034
  132   1HE   LYS  16          2HE       LYS  16   7.223  13.378 -17.722
  133   2HE   LYS  16          1HE       LYS  16   8.645  13.040 -16.737
  134   1HZ   LYS  16          1HZ       LYS  16   7.418  11.122 -18.643
  135   2HZ   LYS  16          3HZ       LYS  16   8.773  12.082 -18.983
  136   3HZ   LYS  16          2HZ       LYS  16   8.855  10.898 -17.766
  137    H    SER  17           H        SER  17   8.445  10.114 -11.877
  138    HA   SER  17           HA       SER  17  11.338  10.160 -12.471
  139   1HB   SER  17          2HB       SER  17  11.472  11.006 -10.087
  140   2HB   SER  17          1HB       SER  17  10.518  12.015 -11.169
  141    HG   SER  17           HG       SER  17   9.286  11.714  -9.373
  142    H    ASN  18           H        ASN  18   8.974   8.237 -10.748
  143    HA   ASN  18           HA       ASN  18  11.112   6.505  -9.610
  144   1HB   ASN  18          2HB       ASN  18   9.155   5.369  -8.465
  145   2HB   ASN  18          1HB       ASN  18   9.368   7.062  -8.017
  146   1HD2  ASN  18          2HD2      ASN  18   6.220   8.034  -9.277
  147   2HD2  ASN  18          1HD2      ASN  18   7.608   8.470  -8.409
  148    H    GLU  19           H        GLU  19  10.628   6.603 -12.462
  149    HA   GLU  19           HA       GLU  19   8.994   4.413 -13.350
  150   1HB   GLU  19          2HB       GLU  19  10.306   4.710 -15.495
  151   2HB   GLU  19          1HB       GLU  19   9.562   6.178 -14.890
  152   1HG   GLU  19          2HG       GLU  19  11.567   7.137 -14.291
  153   2HG   GLU  19          1HG       GLU  19  12.350   5.588 -13.999
  154    H    LYS  20           H        LYS  20   9.697   2.678 -11.897
  155    HA   LYS  20           HA       LYS  20  11.323   0.712 -12.968
  156   1HB   LYS  20          2HB       LYS  20  13.371   0.869 -11.437
  157   2HB   LYS  20          1HB       LYS  20  13.335   2.011 -12.775
  158   1HG   LYS  20          2HG       LYS  20  12.562   3.789 -11.317
  159   2HG   LYS  20          1HG       LYS  20  12.358   2.661  -9.979
  160   1HD   LYS  20          2HD       LYS  20  14.504   2.946  -9.371
  161   2HD   LYS  20          1HD       LYS  20  15.050   2.423 -10.964
  162   1HE   LYS  20          2HE       LYS  20  14.189   5.242 -10.241
  163   2HE   LYS  20          1HE       LYS  20  15.855   4.704 -10.446
  164   1HZ   LYS  20          2HZ       LYS  20  15.007   3.916 -12.737
  165   2HZ   LYS  20          1HZ       LYS  20  13.745   5.022 -12.472
  166   3HZ   LYS  20          3HZ       LYS  20  15.353   5.563 -12.505
  167    H    PHE  21           H        PHE  21  10.254   2.338 -10.030
  168    HA   PHE  21           HA       PHE  21  10.409  -0.135  -8.446
  169   1HB   PHE  21          2HB       PHE  21   9.299   2.613  -7.807
  170   2HB   PHE  21          1HB       PHE  21   9.368   1.280  -6.660
  171    HD1  PHE  21           HD1      PHE  21  11.873   0.025  -6.908
  172    HD2  PHE  21           HD2      PHE  21  10.952   4.185  -7.445
  173    HE1  PHE  21           HE1      PHE  21  14.224   0.614  -6.378
  174    HE2  PHE  21           HE2      PHE  21  13.300   4.775  -6.917
  175    HZ   PHE  21           HZ       PHE  21  14.937   2.989  -6.383
  176    H    ILE  22           H        ILE  22   7.567   2.016  -8.488
  177    HA   ILE  22           HA       ILE  22   5.796  -0.297  -8.489
  178    HB   ILE  22           HB       ILE  22   5.264   1.779  -7.229
  179   1HG1  ILE  22          2HG1      ILE  22   3.196   1.464  -9.400
  180   2HG1  ILE  22          1HG1      ILE  22   3.514   0.156  -8.261
  181   1HG2  ILE  22          1HG2      ILE  22   6.198   3.256  -9.164
  182   2HG2  ILE  22          3HG2      ILE  22   4.586   3.091  -9.857
  183   3HG2  ILE  22          2HG2      ILE  22   4.794   3.836  -8.272
  184   1HD1  ILE  22          2HD1      ILE  22   3.229   2.751  -6.930
  185   2HD1  ILE  22          1HD1      ILE  22   1.786   2.287  -7.832
  186   3HD1  ILE  22          3HD1      ILE  22   2.428   1.218  -6.586
  187    H    HIS  23           H        HIS  23   4.020  -0.513 -10.144
  188    HA   HIS  23           HA       HIS  23   4.392   0.744 -12.743
  189   1HB   HIS  23          2HB       HIS  23   6.224  -1.041 -12.573
  190   2HB   HIS  23          1HB       HIS  23   4.921  -2.228 -12.626
  191    HD1  HIS  23           HD1      HIS  23   5.961   0.847 -14.653
  192    HD2  HIS  23           HD2      HIS  23   4.306  -2.938 -15.207
  193    HE1  HIS  23           HE1      HIS  23   5.639   0.566 -17.150
  194    H    TRP  24           H        TRP  24   2.670   0.289 -14.165
  195    HA   TRP  24           HA       TRP  24   0.188  -0.525 -12.908
  196   1HB   TRP  24          2HB       TRP  24   0.975   0.181 -15.744
  197   2HB   TRP  24          1HB       TRP  24  -0.652  -0.352 -15.343
  198    HD1  TRP  24           HD1      TRP  24   0.671   1.653 -12.522
  199    HE1  TRP  24           HE1      TRP  24  -0.260   4.058 -12.617
  200    HE3  TRP  24           HE3      TRP  24  -1.274   1.675 -17.249
  201    HZ2  TRP  24           HZ2      TRP  24  -1.637   5.764 -14.447
  202    HZ3  TRP  24           HZ3      TRP  24  -2.387   3.702 -18.139
  203    HH2  TRP  24           HH2      TRP  24  -2.569   5.745 -16.746
  204    H    SER  25           H        SER  25  -1.138  -2.345 -13.622
  205    HA   SER  25           HA       SER  25   0.487  -4.735 -14.210
  206   1HB   SER  25          2HB       SER  25  -1.577  -4.435 -12.542
  207   2HB   SER  25          1HB       SER  25  -2.493  -4.844 -13.990
  208    HG   SER  25           HG       SER  25  -2.008  -6.792 -13.247
  209    H    THR  26           H        THR  26  -1.378  -6.259 -15.666
  210    HA   THR  26           HA       THR  26  -0.912  -5.273 -18.341
  211    HB   THR  26           HB       THR  26  -2.798  -7.479 -17.464
  212    HG1  THR  26           HG1      THR  26  -0.677  -7.805 -16.714
  213   1HG2  THR  26          2HG2      THR  26  -2.689  -6.400 -19.902
  214   2HG2  THR  26          1HG2      THR  26  -1.287  -7.461 -20.040
  215   3HG2  THR  26          3HG2      THR  26  -2.873  -8.139 -19.674
  216    H    SER  27           H        SER  27  -3.601  -5.085 -16.092
  217    HA   SER  27           HA       SER  27  -5.469  -4.116 -18.141
  218   1HB   SER  27          2HB       SER  27  -7.072  -3.966 -16.353
  219   2HB   SER  27          1HB       SER  27  -6.166  -5.455 -16.104
  220    HG   SER  27           HG       SER  27  -5.886  -4.598 -14.189
  221    H    GLY  28           H        GLY  28  -3.854  -2.722 -15.265
  222   1HA   GLY  28          2HA       GLY  28  -2.767  -0.463 -15.729
  223   2HA   GLY  28          1HA       GLY  28  -4.305  -0.020 -16.472
  224    H    GLU  29           H        GLU  29  -6.077  -1.166 -14.610
  225    HA   GLU  29           HA       GLU  29  -6.037   0.851 -12.526
  226   1HB   GLU  29          2HB       GLU  29  -7.842  -1.350 -13.380
  227   2HB   GLU  29          1HB       GLU  29  -7.943  -0.880 -11.683
  228   1HG   GLU  29          2HG       GLU  29  -8.762   1.213 -12.166
  229   2HG   GLU  29          1HG       GLU  29  -7.869   1.324 -13.684
  230    H    SER  30           H        SER  30  -4.971  -2.474 -12.763
  231    HA   SER  30           HA       SER  30  -4.750  -2.828  -9.860
  232   1HB   SER  30          2HB       SER  30  -5.176  -4.676 -11.602
  233   2HB   SER  30          1HB       SER  30  -3.461  -4.553 -11.973
  234    HG   SER  30           HG       SER  30  -4.208  -6.102 -10.268
  235    H    ILE  31           H        ILE  31  -2.815  -2.820  -8.677
  236    HA   ILE  31           HA       ILE  31  -0.445  -1.644 -10.088
  237    HB   ILE  31           HB       ILE  31  -1.263  -1.268  -7.186
  238   1HG1  ILE  31          2HG1      ILE  31  -1.360   0.808  -9.382
  239   2HG1  ILE  31          1HG1      ILE  31  -2.750  -0.216  -9.017
  240   1HG2  ILE  31          1HG2      ILE  31   1.023  -0.337  -8.897
  241   2HG2  ILE  31          3HG2      ILE  31   0.428   0.719  -7.616
  242   3HG2  ILE  31          2HG2      ILE  31   1.035  -0.890  -7.221
  243   1HD1  ILE  31          1HD1      ILE  31  -1.313   1.537  -7.002
  244   2HD1  ILE  31          3HD1      ILE  31  -2.839   1.942  -7.787
  245   3HD1  ILE  31          2HD1      ILE  31  -2.749   0.561  -6.694
  246    H    VAL  32           H        VAL  32   1.522  -2.707  -9.782
  247    HA   VAL  32           HA       VAL  32   1.473  -5.021  -7.874
  248    HB   VAL  32           HB       VAL  32   3.044  -4.803 -10.460
  249   1HG1  VAL  32          2HG1      VAL  32   2.787  -6.889  -8.301
  250   2HG1  VAL  32          1HG1      VAL  32   3.171  -7.368  -9.953
  251   3HG1  VAL  32          3HG1      VAL  32   4.247  -6.278  -9.079
  252   1HG2  VAL  32          1HG2      VAL  32   0.589  -5.006 -10.816
  253   2HG2  VAL  32          3HG2      VAL  32   1.450  -6.457 -11.328
  254   3HG2  VAL  32          2HG2      VAL  32   0.578  -6.443  -9.794
  255    H    VAL  33           H        VAL  33   3.217  -5.250  -6.495
  256    HA   VAL  33           HA       VAL  33   5.305  -3.109  -6.636
  257    HB   VAL  33           HB       VAL  33   4.289  -4.573  -4.179
  258   1HG1  VAL  33          1HG1      VAL  33   6.414  -2.512  -4.687
  259   2HG1  VAL  33          3HG1      VAL  33   5.533  -2.473  -3.159
  260   3HG1  VAL  33          2HG1      VAL  33   6.449  -3.910  -3.612
  261   1HG2  VAL  33          2HG2      VAL  33   3.010  -2.546  -5.613
  262   2HG2  VAL  33          1HG2      VAL  33   2.711  -2.967  -3.928
  263   3HG2  VAL  33          3HG2      VAL  33   3.848  -1.680  -4.325
  264    HA   PRO  34           HA       PRO  34   7.496  -7.037  -7.256
  265   1HB   PRO  34          2HB       PRO  34   9.687  -5.959  -8.505
  266   2HB   PRO  34          1HB       PRO  34   8.211  -6.433  -9.362
  267   1HG   PRO  34          2HG       PRO  34   9.198  -3.710  -8.698
  268   2HG   PRO  34          1HG       PRO  34   8.119  -4.227 -10.004
  269   1HD   PRO  34          2HD       PRO  34   7.336  -2.984  -7.582
  270   2HD   PRO  34          1HD       PRO  34   6.262  -3.759  -8.762
  271    H    ASN  35           H        ASN  35   8.556  -3.941  -5.974
  272    HA   ASN  35           HA       ASN  35  10.271  -5.394  -4.010
  273   1HB   ASN  35          2HB       ASN  35  10.974  -2.998  -5.702
  274   2HB   ASN  35          1HB       ASN  35  11.754  -3.259  -4.144
  275   1HD2  ASN  35          2HD2      ASN  35  14.076  -5.077  -6.191
  276   2HD2  ASN  35          1HD2      ASN  35  13.783  -3.557  -5.495
  277    H    ARG  36           H        ARG  36   8.573  -5.140  -2.451
  278    HA   ARG  36           HA       ARG  36   7.327  -2.592  -1.920
  279   1HB   ARG  36          2HB       ARG  36   6.568  -3.685   0.201
  280   2HB   ARG  36          1HB       ARG  36   6.210  -4.637  -1.237
  281   1HG   ARG  36          2HG       ARG  36   7.403  -6.365  -0.431
  282   2HG   ARG  36          1HG       ARG  36   8.836  -5.351  -0.302
  283   1HD   ARG  36          2HD       ARG  36   6.660  -5.715   1.774
  284   2HD   ARG  36          1HD       ARG  36   8.349  -6.203   1.903
  285    HE   ARG  36           HE       ARG  36   8.853  -3.683   1.783
  286   1HH1  ARG  36          2HH1      ARG  36   5.553  -4.045   1.880
  287   2HH1  ARG  36          1HH1      ARG  36   5.298  -3.112   3.317
  288   1HH2  ARG  36          1HH2      ARG  36   8.672  -2.886   4.083
  289   2HH2  ARG  36          2HH2      ARG  36   7.065  -2.454   4.564
  290    H    GLU  37           H        GLU  37  10.273  -4.134  -0.821
  291    HA   GLU  37           HA       GLU  37  10.668  -2.089   1.281
  292   1HB   GLU  37          2HB       GLU  37  11.287  -4.463   1.727
  293   2HB   GLU  37          1HB       GLU  37  12.482  -4.372   0.432
  294   1HG   GLU  37          2HG       GLU  37  13.898  -3.012   1.638
  295   2HG   GLU  37          1HG       GLU  37  12.581  -2.261   2.538
  296    H    ARG  38           H        ARG  38  10.542  -0.920  -1.209
  297    HA   ARG  38           HA       ARG  38  13.169   0.328  -1.389
  298   1HB   ARG  38          2HB       ARG  38  13.053  -1.878  -2.900
  299   2HB   ARG  38          1HB       ARG  38  12.229  -0.778  -4.005
  300   1HG   ARG  38          2HG       ARG  38  14.508  -0.561  -4.591
  301   2HG   ARG  38          1HG       ARG  38  14.200   0.836  -3.562
  302   1HD   ARG  38          2HD       ARG  38  15.998   0.125  -2.378
  303   2HD   ARG  38          1HD       ARG  38  14.903  -1.090  -1.718
  304    HE   ARG  38           HE       ARG  38  15.747  -2.386  -3.917
  305   1HH1  ARG  38          1HH2      ARG  38  18.085  -1.218  -4.713
  306   2HH1  ARG  38          2HH2      ARG  38  19.312  -1.688  -3.585
  307   1HH2  ARG  38          1HH1      ARG  38  18.729  -2.503  -1.556
  308   2HH2  ARG  38          2HH1      ARG  38  17.057  -2.655  -1.132
  309    H    PHE  39           H        PHE  39  10.062  -0.188  -3.049
  310    HA   PHE  39           HA       PHE  39   9.876   2.388  -4.265
  311   1HB   PHE  39          2HB       PHE  39   8.367   0.730  -5.058
  312   2HB   PHE  39          1HB       PHE  39   7.856   0.294  -3.435
  313    HD1  PHE  39           HD2      PHE  39   6.352   1.771  -2.145
  314    HD2  PHE  39           HD1      PHE  39   7.360   2.603  -6.239
  315    HE1  PHE  39           HE2      PHE  39   4.437   3.343  -2.300
  316    HE2  PHE  39           HE1      PHE  39   5.448   4.173  -6.393
  317    HZ   PHE  39           HZ       PHE  39   3.989   4.543  -4.421
  318    H    VAL  40           H        VAL  40   8.653   1.171  -1.135
  319    HA   VAL  40           HA       VAL  40   7.413   3.572  -0.255
  320    HB   VAL  40           HB       VAL  40   8.833   1.498   1.449
  321   1HG1  VAL  40          2HG1      VAL  40   7.079   3.830   2.018
  322   2HG1  VAL  40          1HG1      VAL  40   6.724   2.356   2.918
  323   3HG1  VAL  40          3HG1      VAL  40   8.325   3.087   3.019
  324   1HG2  VAL  40          2HG2      VAL  40   6.983   0.736  -0.225
  325   2HG2  VAL  40          1HG2      VAL  40   6.856   0.229   1.459
  326   3HG2  VAL  40          3HG2      VAL  40   5.879   1.572   0.866
  327    H    GLN  41           H        GLN  41  10.665   2.336   0.498
  328    HA   GLN  41           HA       GLN  41  11.506   4.733   1.848
  329   1HB   GLN  41          2HB       GLN  41  13.054   2.410   0.685
  330   2HB   GLN  41          1HB       GLN  41  13.799   3.704   1.627
  331   1HG   GLN  41          2HG       GLN  41  12.509   3.159   3.567
  332   2HG   GLN  41          1HG       GLN  41  11.455   2.087   2.645
  333   1HE2  GLN  41          2HE2      GLN  41  14.142   0.112   4.460
  334   2HE2  GLN  41          1HE2      GLN  41  13.047   1.297   4.989
  335    H    GLU  42           H        GLU  42  11.062   4.229  -1.486
  336    HA   GLU  42           HA       GLU  42  12.871   6.544  -2.029
  337   1HB   GLU  42          2HB       GLU  42  12.687   3.945  -3.551
  338   2HB   GLU  42          1HB       GLU  42  13.319   5.413  -4.292
  339   1HG   GLU  42          2HG       GLU  42  14.875   5.568  -2.245
  340   2HG   GLU  42          1HG       GLU  42  14.419   3.893  -1.928
  341    H    VAL  43           H        VAL  43   9.783   5.980  -1.815
  342    HA   VAL  43           HA       VAL  43   9.137   7.672  -4.149
  343    HB   VAL  43           HB       VAL  43   7.632   5.078  -3.721
  344   1HG1  VAL  43          3HG1      VAL  43   7.417   7.431  -5.540
  345   2HG1  VAL  43          2HG1      VAL  43   7.081   5.841  -6.226
  346   3HG1  VAL  43          1HG1      VAL  43   6.146   6.423  -4.848
  347   1HG2  VAL  43          2HG2      VAL  43   9.796   5.804  -5.722
  348   2HG2  VAL  43          1HG2      VAL  43   9.868   4.528  -4.505
  349   3HG2  VAL  43          3HG2      VAL  43   8.752   4.388  -5.864
  350    H    LEU  44           H        LEU  44   7.958   6.094  -1.162
  351    HA   LEU  44           HA       LEU  44   5.493   7.578  -1.121
  352   1HB   LEU  44          2HB       LEU  44   5.980   5.441   0.166
  353   2HB   LEU  44          1HB       LEU  44   6.867   6.440   1.313
  354    HG   LEU  44           HG       LEU  44   4.842   7.835   1.645
  355   1HD1  LEU  44          1HD1      LEU  44   3.791   5.954  -0.439
  356   2HD1  LEU  44          3HD1      LEU  44   2.683   6.552   0.796
  357   3HD1  LEU  44          2HD1      LEU  44   3.521   7.688  -0.261
  358   1HD2  LEU  44          2HD2      LEU  44   5.404   5.699   2.972
  359   2HD2  LEU  44          1HD2      LEU  44   3.752   6.308   3.081
  360   3HD2  LEU  44          3HD2      LEU  44   4.117   4.933   2.040
  361    HA   PRO  45           HA       PRO  45   7.619  10.538   1.871
  362   1HB   PRO  45          2HB       PRO  45  10.356  10.619   1.988
  363   2HB   PRO  45          1HB       PRO  45   9.357   9.667   3.100
  364   1HG   PRO  45          2HG       PRO  45  11.005   8.745   0.793
  365   2HG   PRO  45          1HG       PRO  45  10.572   7.886   2.281
  366   1HD   PRO  45          2HD       PRO  45   9.366   7.493  -0.221
  367   2HD   PRO  45          1HD       PRO  45   8.700   6.991   1.343
  368    H    LYS  46           H        LYS  46   8.732   9.769  -1.295
  369    HA   LYS  46           HA       LYS  46  10.081  12.240  -1.917
  370   1HB   LYS  46          2HB       LYS  46   9.840   9.856  -3.189
  371   2HB   LYS  46          1HB       LYS  46   8.663  10.805  -4.095
  372   1HG   LYS  46          2HG       LYS  46  10.297  12.424  -4.721
  373   2HG   LYS  46          1HG       LYS  46  11.460  11.810  -3.544
  374   1HD   LYS  46          2HD       LYS  46  11.650   9.706  -4.791
  375   2HD   LYS  46          1HD       LYS  46  10.439  10.263  -5.946
  376   1HE   LYS  46          2HE       LYS  46  11.901  11.670  -7.005
  377   2HE   LYS  46          1HE       LYS  46  12.745  12.083  -5.512
  378   1HZ   LYS  46          2HZ       LYS  46  12.969   9.375  -6.652
  379   2HZ   LYS  46          1HZ       LYS  46  13.932  10.636  -7.254
  380   3HZ   LYS  46          3HZ       LYS  46  14.042  10.194  -5.620
  381    H    TYR  47           H        TYR  47   6.708  11.197  -2.023
  382    HA   TYR  47           HA       TYR  47   5.933  13.843  -3.158
  383   1HB   TYR  47          2HB       TYR  47   4.430  11.236  -2.837
  384   2HB   TYR  47          1HB       TYR  47   3.650  12.736  -3.338
  385    HD1  TYR  47           HD2      TYR  47   6.557  10.528  -4.190
  386    HD2  TYR  47           HD1      TYR  47   3.616  13.323  -5.604
  387    HE1  TYR  47           HE2      TYR  47   7.303  10.135  -6.522
  388    HE2  TYR  47           HE1      TYR  47   4.363  12.930  -7.936
  389    HH   TYR  47           HH       TYR  47   5.778  10.568  -9.039
  390    H    PHE  48           H        PHE  48   5.757  11.902  -0.255
  391    HA   PHE  48           HA       PHE  48   4.328  14.149   1.093
  392   1HB   PHE  48          2HB       PHE  48   3.903  11.211   1.725
  393   2HB   PHE  48          1HB       PHE  48   3.027  12.581   2.405
  394    HD1  PHE  48           HD2      PHE  48   3.756  10.844  -0.829
  395    HD2  PHE  48           HD1      PHE  48   1.082  13.399   1.358
  396    HE1  PHE  48           HE2      PHE  48   2.124  10.732  -2.692
  397    HE2  PHE  48           HE1      PHE  48  -0.555  13.280  -0.506
  398    HZ   PHE  48           HZ       PHE  48  -0.026  11.950  -2.527
  399    H    LYS  49           H        LYS  49   4.461  13.088   3.696
  400    HA   LYS  49           HA       LYS  49   7.320  12.447   4.171
  401   1HB   LYS  49          2HB       LYS  49   5.935  14.987   4.913
  402   2HB   LYS  49          1HB       LYS  49   7.046  14.291   6.093
  403   1HG   LYS  49          2HG       LYS  49   8.642  15.404   4.916
  404   2HG   LYS  49          1HG       LYS  49   8.509  14.053   3.791
  405   1HD   LYS  49          2HD       LYS  49   6.951  15.265   2.406
  406   2HD   LYS  49          1HD       LYS  49   6.819  16.560   3.598
  407   1HE   LYS  49          2HE       LYS  49   8.338  17.432   2.024
  408   2HE   LYS  49          1HE       LYS  49   9.386  16.802   3.294
  409   1HZ   LYS  49          3HZ       LYS  49   8.595  15.114   1.007
  410   2HZ   LYS  49          2HZ       LYS  49   9.904  16.188   0.879
  411   3HZ   LYS  49          1HZ       LYS  49   9.930  14.947   2.039
  412    H    HIS  50           H        HIS  50   4.482  13.481   6.095
  413    HA   HIS  50           HA       HIS  50   5.031  11.586   8.202
  414   1HB   HIS  50          2HB       HIS  50   2.589  13.243   7.530
  415   2HB   HIS  50          1HB       HIS  50   2.713  12.242   8.977
  416    HD1  HIS  50           HD1      HIS  50   4.633  12.890  10.700
  417    HD2  HIS  50           HD2      HIS  50   3.980  15.675   7.666
  418    HE1  HIS  50           HE1      HIS  50   5.793  15.023  11.423
  419    H    SER  51           H        SER  51   3.490  11.242   5.136
  420    HA   SER  51           HA       SER  51   1.725   9.053   5.947
  421   1HB   SER  51          2HB       SER  51   1.679  10.769   3.851
  422   2HB   SER  51          1HB       SER  51   2.450   9.383   3.088
  423    HG   SER  51           HG       SER  51   0.695   8.161   3.524
  424    H    ASN  52           H        ASN  52   2.429   7.017   6.278
  425    HA   ASN  52           HA       ASN  52   4.902   6.117   4.851
  426   1HB   ASN  52          2HB       ASN  52   4.448   6.246   7.603
  427   2HB   ASN  52          1HB       ASN  52   4.177   4.548   7.214
  428   1HD2  ASN  52          2HD2      ASN  52   7.671   4.039   7.245
  429   2HD2  ASN  52          1HD2      ASN  52   6.144   3.525   7.779
  430    H    PHE  53           H        PHE  53   4.839   3.498   4.896
  431    HA   PHE  53           HA       PHE  53   2.870   2.637   3.092
  432   1HB   PHE  53          2HB       PHE  53   3.429   0.299   3.929
  433   2HB   PHE  53          1HB       PHE  53   4.801   1.260   3.385
  434    HD1  PHE  53           HD1      PHE  53   2.893   0.235   6.428
  435    HD2  PHE  53           HD2      PHE  53   6.589   1.753   4.854
  436    HE1  PHE  53           HE1      PHE  53   3.951  -0.024   8.658
  437    HE2  PHE  53           HE2      PHE  53   7.645   1.497   7.081
  438    HZ   PHE  53           HZ       PHE  53   6.326   0.608   8.984
  439    H    ALA  54           H        ALA  54   2.684   2.862   6.578
  440    HA   ALA  54           HA       ALA  54   0.367   1.194   6.941
  441   1HB   ALA  54          2HB       ALA  54   2.080   2.421   8.650
  442   2HB   ALA  54          1HB       ALA  54   0.716   3.536   8.737
  443   3HB   ALA  54          3HB       ALA  54   0.491   1.834   9.138
  444    H    SER  55           H        SER  55   0.751   4.720   6.483
  445    HA   SER  55           HA       SER  55  -2.087   5.262   6.537
  446   1HB   SER  55          2HB       SER  55  -0.622   7.094   6.992
  447   2HB   SER  55          1HB       SER  55   0.299   6.816   5.518
  448    HG   SER  55           HG       SER  55  -2.459   7.493   5.578
  449    H    PHE  56           H        PHE  56   0.060   4.050   4.090
  450    HA   PHE  56           HA       PHE  56  -1.530   4.869   1.801
  451   1HB   PHE  56          2HB       PHE  56   0.891   4.333   1.646
  452   2HB   PHE  56          1HB       PHE  56   0.537   2.660   2.068
  453    HD1  PHE  56           HD2      PHE  56  -1.198   5.071  -0.231
  454    HD2  PHE  56           HD1      PHE  56   0.886   1.338   0.174
  455    HE1  PHE  56           HE2      PHE  56  -1.642   4.565  -2.619
  456    HE2  PHE  56           HE1      PHE  56   0.442   0.832  -2.212
  457    HZ   PHE  56           HZ       PHE  56  -0.821   2.444  -3.610
  458    H    VAL  57           H        VAL  57  -1.168   1.829   3.624
  459    HA   VAL  57           HA       VAL  57  -3.140   0.399   2.057
  460    HB   VAL  57           HB       VAL  57  -2.088  -0.214   4.839
  461   1HG1  VAL  57          3HG1      VAL  57  -3.780  -1.658   2.850
  462   2HG1  VAL  57          2HG1      VAL  57  -2.567  -2.607   3.709
  463   3HG1  VAL  57          1HG1      VAL  57  -3.806  -1.734   4.611
  464   1HG2  VAL  57          1HG2      VAL  57  -0.554   0.039   2.593
  465   2HG2  VAL  57          3HG2      VAL  57  -0.192  -1.081   3.905
  466   3HG2  VAL  57          2HG2      VAL  57  -1.038  -1.650   2.466
  467    H    ARG  58           H        ARG  58  -3.239   2.373   4.963
  468    HA   ARG  58           HA       ARG  58  -5.878   1.558   5.817
  469   1HB   ARG  58          2HB       ARG  58  -3.815   3.219   6.802
  470   2HB   ARG  58          1HB       ARG  58  -5.212   4.275   6.602
  471   1HG   ARG  58          2HG       ARG  58  -6.478   3.126   8.163
  472   2HG   ARG  58          1HG       ARG  58  -5.644   1.599   7.871
  473   1HD   ARG  58          2HD       ARG  58  -4.893   2.320  10.015
  474   2HD   ARG  58          1HD       ARG  58  -3.576   2.703   8.907
  475    HE   ARG  58           HE       ARG  58  -4.572   5.069   8.883
  476   1HH1  ARG  58          1HH2      ARG  58  -6.744   3.875  10.847
  477   2HH1  ARG  58          2HH2      ARG  58  -6.233   4.635  12.316
  478   1HH2  ARG  58          2HH1      ARG  58  -3.160   5.616  11.047
  479   2HH2  ARG  58          1HH1      ARG  58  -4.203   5.622  12.428
  480    H    GLN  59           H        GLN  59  -4.684   4.372   3.956
  481    HA   GLN  59           HA       GLN  59  -7.266   5.561   3.565
  482   1HB   GLN  59          2HB       GLN  59  -4.715   5.761   1.948
  483   2HB   GLN  59          1HB       GLN  59  -6.140   6.760   1.664
  484   1HG   GLN  59          2HG       GLN  59  -4.603   6.610   4.275
  485   2HG   GLN  59          1HG       GLN  59  -4.478   7.916   3.098
  486   1HE2  GLN  59          2HE2      GLN  59  -7.986   8.916   3.773
  487   2HE2  GLN  59          1HE2      GLN  59  -7.068   8.494   2.409
  488    H    LEU  60           H        LEU  60  -5.421   3.189   1.652
  489    HA   LEU  60           HA       LEU  60  -7.160   3.158  -0.617
  490   1HB   LEU  60          2HB       LEU  60  -5.479   0.920   0.552
  491   2HB   LEU  60          1HB       LEU  60  -6.238   0.883  -1.036
  492    HG   LEU  60           HG       LEU  60  -4.428   3.163  -0.273
  493   1HD1  LEU  60          2HD1      LEU  60  -3.272   0.931   0.097
  494   2HD1  LEU  60          1HD1      LEU  60  -3.524   0.603  -1.617
  495   3HD1  LEU  60          3HD1      LEU  60  -2.521   1.965  -1.118
  496   1HD2  LEU  60          3HD2      LEU  60  -5.497   1.910  -2.798
  497   2HD2  LEU  60          2HD2      LEU  60  -5.575   3.595  -2.284
  498   3HD2  LEU  60          1HD2      LEU  60  -4.047   2.913  -2.841
  499    H    ASN  61           H        ASN  61  -7.217   1.318   2.428
  500    HA   ASN  61           HA       ASN  61  -9.549  -0.242   1.682
  501   1HB   ASN  61          2HB       ASN  61  -7.803   0.066   4.034
  502   2HB   ASN  61          1HB       ASN  61  -9.486  -0.269   4.443
  503   1HD2  ASN  61          2HD2      ASN  61  -7.557  -3.063   2.105
  504   2HD2  ASN  61          1HD2      ASN  61  -7.189  -1.420   1.893
  505    H    MET  62           H        MET  62  -9.079   2.960   2.954
  506    HA   MET  62           HA       MET  62 -11.602   3.264   4.285
  507   1HB   MET  62          2HB       MET  62  -9.388   4.799   4.127
  508   2HB   MET  62          1HB       MET  62 -10.399   5.628   2.943
  509   1HG   MET  62          2HG       MET  62 -12.227   5.736   4.645
  510   2HG   MET  62          1HG       MET  62 -11.122   5.033   5.826
  511   1HE   MET  62          2HE       MET  62 -10.931   6.484   7.487
  512   2HE   MET  62          1HE       MET  62  -9.217   6.408   7.092
  513   3HE   MET  62          3HE       MET  62  -9.967   7.957   7.503
  514    H    TYR  63           H        TYR  63 -10.565   4.263   1.003
  515    HA   TYR  63           HA       TYR  63 -13.309   4.962   0.260
  516   1HB   TYR  63          2HB       TYR  63 -10.933   4.591  -1.585
  517   2HB   TYR  63          1HB       TYR  63 -12.391   5.530  -1.894
  518    HD1  TYR  63           HD2      TYR  63 -12.860   7.576  -0.449
  519    HD2  TYR  63           HD1      TYR  63  -9.077   5.542  -0.458
  520    HE1  TYR  63           HE2      TYR  63 -11.783   9.576   0.545
  521    HE2  TYR  63           HE1      TYR  63  -8.000   7.542   0.533
  522    HH   TYR  63           HH       TYR  63  -9.602   9.948   2.023
  523    H    GLY  64           H        GLY  64 -10.999   2.412  -0.652
  524   1HA   GLY  64          2HA       GLY  64 -12.975   0.353  -0.802
  525   2HA   GLY  64          1HA       GLY  64 -12.660   0.966  -2.426
  526    H    TRP  65           H        TRP  65 -11.006   0.025  -3.498
  527    HA   TRP  65           HA       TRP  65  -9.154  -1.334  -3.941
  528   1HB   TRP  65          2HB       TRP  65  -8.309   0.130  -1.444
  529   2HB   TRP  65          1HB       TRP  65  -7.248  -1.043  -2.221
  530    HD1  TRP  65           HD1      TRP  65  -8.471   2.473  -2.502
  531    HE1  TRP  65           HE1      TRP  65  -7.490   3.580  -4.615
  532    HE3  TRP  65           HE3      TRP  65  -6.512  -1.633  -4.822
  533    HZ2  TRP  65           HZ2      TRP  65  -6.063   2.824  -6.974
  534    HZ3  TRP  65           HZ3      TRP  65  -5.351  -1.413  -6.999
  535    HH2  TRP  65           HH2      TRP  65  -5.123   0.809  -8.078
  536    H    HIS  66           H        HIS  66  -9.735  -3.454  -3.826
  537    HA   HIS  66           HA       HIS  66  -9.623  -4.755  -1.130
  538   1HB   HIS  66          2HB       HIS  66 -11.353  -5.482  -3.514
  539   2HB   HIS  66          1HB       HIS  66 -11.257  -6.408  -2.016
  540    HD1  HIS  66           HD1      HIS  66 -11.299  -4.152   0.055
  541    HD2  HIS  66           HD2      HIS  66 -13.826  -4.250  -3.259
  542    HE1  HIS  66           HE1      HIS  66 -13.299  -2.709   0.635
  543    H    LYS  67           H        LYS  67  -8.045  -6.267  -0.959
  544    HA   LYS  67           HA       LYS  67  -6.229  -6.869  -3.075
  545   1HB   LYS  67          2HB       LYS  67  -6.815  -8.359  -0.496
  546   2HB   LYS  67          1HB       LYS  67  -5.448  -8.708  -1.553
  547   1HG   LYS  67          2HG       LYS  67  -4.263  -6.964  -0.747
  548   2HG   LYS  67          1HG       LYS  67  -5.621  -5.857  -0.954
  549   1HD   LYS  67          2HD       LYS  67  -6.510  -6.366   1.178
  550   2HD   LYS  67          1HD       LYS  67  -5.553  -7.840   1.320
  551   1HE   LYS  67          2HE       LYS  67  -3.514  -6.181   1.134
  552   2HE   LYS  67          1HE       LYS  67  -4.696  -4.986   1.668
  553   1HZ   LYS  67          2HZ       LYS  67  -5.244  -6.688   3.471
  554   2HZ   LYS  67          1HZ       LYS  67  -3.758  -7.408   3.072
  555   3HZ   LYS  67          3HZ       LYS  67  -3.800  -5.807   3.629
  556    H    VAL  68           H        VAL  68  -5.854  -9.144  -3.926
  557    HA   VAL  68           HA       VAL  68  -8.283 -10.122  -5.166
  558    HB   VAL  68           HB       VAL  68  -6.763 -11.920  -6.071
  559   1HG1  VAL  68          3HG1      VAL  68  -6.230  -8.982  -6.326
  560   2HG1  VAL  68          2HG1      VAL  68  -5.168 -10.115  -7.161
  561   3HG1  VAL  68          1HG1      VAL  68  -6.896 -10.104  -7.512
  562   1HG2  VAL  68          3HG2      VAL  68  -5.251 -11.785  -3.981
  563   2HG2  VAL  68          2HG2      VAL  68  -4.449 -11.938  -5.543
  564   3HG2  VAL  68          1HG2      VAL  68  -4.533 -10.368  -4.745
  565    H    GLN  69           H        GLN  69  -9.521 -11.881  -4.615
  566    HA   GLN  69           HA       GLN  69  -8.826 -13.246  -2.053
  567   1HB   GLN  69          2HB       GLN  69 -11.146 -11.977  -2.741
  568   2HB   GLN  69          1HB       GLN  69 -11.526 -13.633  -3.213
  569   1HG   GLN  69          2HG       GLN  69 -12.130 -13.771  -0.997
  570   2HG   GLN  69          1HG       GLN  69 -10.413 -14.136  -0.817
  571   1HE2  GLN  69          2HE2      GLN  69  -9.726 -11.199   1.005
  572   2HE2  GLN  69          1HE2      GLN  69  -9.146 -12.671   0.392
  573    H    ASP  70           H        ASP  70  -9.444 -13.759  -5.455
  574    HA   ASP  70           HA       ASP  70  -9.412 -16.708  -5.086
  575   1HB   ASP  70          2HB       ASP  70  -9.931 -16.734  -7.548
  576   2HB   ASP  70          1HB       ASP  70 -11.141 -15.888  -6.584
  577    H    VAL  71           H        VAL  71  -7.344 -17.458  -4.921
  578    HA   VAL  71           HA       VAL  71  -5.478 -16.945  -7.135
  579    HB   VAL  71           HB       VAL  71  -3.617 -16.333  -5.512
  580   1HG1  VAL  71          1HG1      VAL  71  -4.953 -14.734  -7.012
  581   2HG1  VAL  71          3HG1      VAL  71  -5.846 -14.293  -5.556
  582   3HG1  VAL  71          2HG1      VAL  71  -4.108 -14.011  -5.643
  583   1HG2  VAL  71          3HG2      VAL  71  -6.017 -15.888  -3.705
  584   2HG2  VAL  71          2HG2      VAL  71  -4.685 -17.011  -3.426
  585   3HG2  VAL  71          1HG2      VAL  71  -4.397 -15.272  -3.378
  586    H    LYS  72           H        LYS  72  -5.968 -18.451  -3.939
  587    HA   LYS  72           HA       LYS  72  -5.471 -20.613  -3.193
  588   1HB   LYS  72          2HB       LYS  72  -6.496 -21.187  -5.469
  589   2HB   LYS  72          1HB       LYS  72  -4.843 -21.311  -6.070
  590   1HG   LYS  72          2HG       LYS  72  -4.621 -23.370  -5.184
  591   2HG   LYS  72          1HG       LYS  72  -5.063 -22.771  -3.585
  592   1HD   LYS  72          2HD       LYS  72  -7.495 -22.860  -4.395
  593   2HD   LYS  72          1HD       LYS  72  -6.894 -23.806  -5.758
  594   1HE   LYS  72          2HE       LYS  72  -7.575 -25.377  -4.068
  595   2HE   LYS  72          1HE       LYS  72  -5.812 -25.358  -4.067
  596   1HZ   LYS  72          3HZ       LYS  72  -7.420 -23.646  -2.266
  597   2HZ   LYS  72          2HZ       LYS  72  -6.927 -25.213  -1.831
  598   3HZ   LYS  72          1HZ       LYS  72  -5.767 -24.014  -2.159
  599    H    SER  73           H        SER  73  -3.456 -18.748  -2.935
  600    HA   SER  73           HA       SER  73  -0.946 -19.676  -4.069
  601   1HB   SER  73          2HB       SER  73  -0.051 -18.182  -2.098
  602   2HB   SER  73          1HB       SER  73  -0.855 -17.422  -3.467
  603    HG   SER  73           HG       SER  73  -2.480 -16.910  -2.219
  604    H    GLY  74           H        GLY  74  -2.168 -19.677  -0.699
  605   1HA   GLY  74          2HA       GLY  74  -2.084 -21.526   0.821
  606   2HA   GLY  74          1HA       GLY  74  -1.033 -22.379  -0.311
  607    H    SER  75           H        SER  75  -0.688 -19.103   1.054
  608    HA   SER  75           HA       SER  75   1.314 -19.765   2.982
  609   1HB   SER  75          2HB       SER  75   2.328 -20.081   0.461
  610   2HB   SER  75          1HB       SER  75   2.726 -18.394   0.770
  611    HG   SER  75           HG       SER  75   3.976 -20.519   1.655
  612    H    MET  76           H        MET  76   0.277 -18.169   4.215
  613    HA   MET  76           HA       MET  76   0.068 -15.439   3.106
  614   1HB   MET  76          2HB       MET  76  -1.828 -16.387   4.396
  615   2HB   MET  76          1HB       MET  76  -0.789 -16.522   5.813
  616   1HG   MET  76          2HG       MET  76  -0.377 -14.019   5.602
  617   2HG   MET  76          1HG       MET  76  -1.657 -13.992   4.395
  618   1HE   MET  76          2HE       MET  76  -3.632 -13.357   4.764
  619   2HE   MET  76          1HE       MET  76  -4.594 -13.298   6.239
  620   3HE   MET  76          3HE       MET  76  -3.207 -12.217   6.039
  621    H    LEU  77           H        LEU  77   0.722 -15.482   6.526
  622    HA   LEU  77           HA       LEU  77   3.307 -14.163   5.990
  623   1HB   LEU  77          2HB       LEU  77   1.497 -14.387   8.389
  624   2HB   LEU  77          1HB       LEU  77   3.166 -13.848   8.573
  625    HG   LEU  77           HG       LEU  77   1.639 -12.558   6.379
  626   1HD1  LEU  77          1HD1      LEU  77  -0.028 -12.738   8.257
  627   2HD1  LEU  77          3HD1      LEU  77   1.099 -11.839   9.274
  628   3HD1  LEU  77          2HD1      LEU  77   0.404 -11.078   7.843
  629   1HD2  LEU  77          3HD2      LEU  77   4.028 -12.066   7.241
  630   2HD2  LEU  77          2HD2      LEU  77   2.963 -10.685   6.975
  631   3HD2  LEU  77          1HD2      LEU  77   3.232 -11.289   8.610
  632    H    SER  78           H        SER  78   4.348 -16.212   5.317
  633    HA   SER  78           HA       SER  78   5.078 -17.918   7.665
  634   1HB   SER  78          2HB       SER  78   3.807 -18.824   5.463
  635   2HB   SER  78          1HB       SER  78   5.472 -18.966   4.909
  636    HG   SER  78           HG       SER  78   4.402 -20.007   7.328
  637    H    ASN  79           H        ASN  79   6.396 -17.251   4.399
  638    HA   ASN  79           HA       ASN  79   8.867 -16.182   5.572
  639   1HB   ASN  79          2HB       ASN  79   8.824 -18.871   5.338
  640   2HB   ASN  79          1HB       ASN  79   9.348 -18.449   3.708
  641   1HD2  ASN  79          2HD2      ASN  79  11.784 -17.421   6.866
  642   2HD2  ASN  79          1HD2      ASN  79  10.116 -17.588   7.132
  643    H    ASN  80           H        ASN  80   6.865 -15.088   3.836
  644    HA   ASN  80           HA       ASN  80   8.595 -14.236   1.629
  645   1HB   ASN  80          2HB       ASN  80   6.896 -14.809  -0.120
  646   2HB   ASN  80          1HB       ASN  80   7.628 -16.230   0.622
  647   1HD2  ASN  80          2HD2      ASN  80   3.680 -15.391   1.365
  648   2HD2  ASN  80          1HD2      ASN  80   4.686 -14.184   0.721
  649    H    ASP  81           H        ASP  81   8.067 -12.160   0.997
  650    HA   ASP  81           HA       ASP  81   5.459 -10.997   1.184
  651   1HB   ASP  81          2HB       ASP  81   5.923  -9.444   3.111
  652   2HB   ASP  81          1HB       ASP  81   5.746 -11.133   3.586
  653    H    SER  82           H        SER  82   7.281 -10.945  -0.838
  654    HA   SER  82           HA       SER  82   8.283  -8.126  -0.779
  655   1HB   SER  82          2HB       SER  82   9.512 -10.490  -2.217
  656   2HB   SER  82          1HB       SER  82  10.107  -8.833  -2.269
  657    HG   SER  82           HG       SER  82  10.221 -10.733  -0.239
  658    H    ARG  83           H        ARG  83   5.742  -9.604  -1.881
  659    HA   ARG  83           HA       ARG  83   5.717  -8.094  -4.417
  660   1HB   ARG  83          2HB       ARG  83   6.206 -10.865  -4.423
  661   2HB   ARG  83          1HB       ARG  83   4.501 -10.712  -4.840
  662   1HG   ARG  83          2HG       ARG  83   5.200  -8.942  -6.536
  663   2HG   ARG  83          1HG       ARG  83   6.866  -9.440  -6.239
  664   1HD   ARG  83          2HD       ARG  83   6.451 -10.919  -7.927
  665   2HD   ARG  83          1HD       ARG  83   5.695 -11.862  -6.646
  666    HE   ARG  83           HE       ARG  83   3.614 -10.315  -7.465
  667   1HH1  ARG  83          2HH1      ARG  83   5.129 -13.072  -8.541
  668   2HH1  ARG  83          1HH1      ARG  83   4.491 -13.027 -10.151
  669   1HH2  ARG  83          1HH2      ARG  83   3.149  -9.847  -9.816
  670   2HH2  ARG  83          2HH2      ARG  83   3.370 -11.201 -10.872
  671    H    TRP  84           H        TRP  84   4.175  -6.776  -3.348
  672    HA   TRP  84           HA       TRP  84   1.695  -8.034  -2.345
  673   1HB   TRP  84          2HB       TRP  84   2.610  -5.141  -2.436
  674   2HB   TRP  84          1HB       TRP  84   1.105  -5.692  -1.702
  675    HD1  TRP  84           HD1      TRP  84   4.801  -6.872  -1.450
  676    HE1  TRP  84           HE1      TRP  84   5.357  -7.231   1.034
  677    HE3  TRP  84           HE3      TRP  84   0.335  -5.545   0.650
  678    HZ2  TRP  84           HZ2      TRP  84   4.081  -6.981   3.584
  679    HZ3  TRP  84           HZ3      TRP  84   0.037  -5.611   3.110
  680    HH2  TRP  84           HH2      TRP  84   1.903  -6.327   4.578
  681    H    GLU  85           H        GLU  85  -0.367  -7.599  -3.282
  682    HA   GLU  85           HA       GLU  85  -0.274  -6.401  -6.022
  683   1HB   GLU  85          2HB       GLU  85  -2.050  -8.073  -6.642
  684   2HB   GLU  85          1HB       GLU  85  -0.484  -8.798  -6.284
  685   1HG   GLU  85          2HG       GLU  85  -2.468  -8.469  -4.060
  686   2HG   GLU  85          1HG       GLU  85  -2.680  -9.793  -5.206
  687    H    PHE  86           H        PHE  86  -2.018  -5.108  -6.591
  688    HA   PHE  86           HA       PHE  86  -4.143  -4.702  -4.528
  689   1HB   PHE  86          2HB       PHE  86  -2.393  -2.667  -5.893
  690   2HB   PHE  86          1HB       PHE  86  -4.006  -2.223  -5.334
  691    HD1  PHE  86           HD2      PHE  86  -0.928  -3.998  -4.122
  692    HD2  PHE  86           HD1      PHE  86  -4.273  -1.493  -3.150
  693    HE1  PHE  86           HE2      PHE  86  -0.071  -3.760  -1.807
  694    HE2  PHE  86           HE1      PHE  86  -3.422  -1.253  -0.832
  695    HZ   PHE  86           HZ       PHE  86  -1.320  -2.385  -0.160
  696    H    GLU  87           H        GLU  87  -6.202  -4.282  -5.380
  697    HA   GLU  87           HA       GLU  87  -6.496  -3.891  -8.294
  698   1HB   GLU  87          2HB       GLU  87  -6.432  -6.443  -7.516
  699   2HB   GLU  87          1HB       GLU  87  -8.118  -6.106  -7.120
  700   1HG   GLU  87          2HG       GLU  87  -8.723  -5.829  -9.316
  701   2HG   GLU  87          1HG       GLU  87  -7.159  -5.149  -9.769
  702    H    ASN  88           H        ASN  88  -8.574  -3.084  -8.865
  703    HA   ASN  88           HA       ASN  88 -10.232  -2.216  -6.530
  704   1HB   ASN  88          2HB       ASN  88  -9.068  -0.730  -8.700
  705   2HB   ASN  88          1HB       ASN  88 -10.822  -0.649  -8.852
  706   1HD2  ASN  88          2HD2      ASN  88  -9.529   2.020  -6.473
  707   2HD2  ASN  88          1HD2      ASN  88  -9.051   1.575  -8.040
  708    H    GLU  89           H        GLU  89 -12.568  -1.579  -7.564
  709    HA   GLU  89           HA       GLU  89 -13.583  -4.128  -8.651
  710   1HB   GLU  89          2HB       GLU  89 -14.883  -1.640  -7.534
  711   2HB   GLU  89          1HB       GLU  89 -15.827  -2.885  -8.351
  712   1HG   GLU  89          2HG       GLU  89 -15.948  -3.800  -6.261
  713   2HG   GLU  89          1HG       GLU  89 -14.349  -4.425  -6.662
  714    H    ARG  90           H        ARG  90 -14.376  -0.727  -9.437
  715    HA   ARG  90           HA       ARG  90 -13.859  -1.268 -12.301
  716   1HB   ARG  90          2HB       ARG  90 -16.118  -0.407 -12.934
  717   2HB   ARG  90          1HB       ARG  90 -16.201  -1.923 -12.039
  718   1HG   ARG  90          2HG       ARG  90 -16.495  -0.506  -9.932
  719   2HG   ARG  90          1HG       ARG  90 -16.748   0.867 -11.010
  720   1HD   ARG  90          2HD       ARG  90 -18.692  -0.112 -11.971
  721   2HD   ARG  90          1HD       ARG  90 -18.327  -1.695 -11.284
  722    HE   ARG  90           HE       ARG  90 -19.169   0.652  -9.629
  723   1HH1  ARG  90          1HH2      ARG  90 -18.699  -0.712  -7.495
  724   2HH1  ARG  90          2HH2      ARG  90 -19.762  -2.074  -7.383
  725   1HH2  ARG  90          2HH1      ARG  90 -20.676  -1.971 -10.726
  726   2HH2  ARG  90          1HH1      ARG  90 -20.881  -2.787  -9.214
  727    H    HIS  91           H        HIS  91 -14.864   1.048 -13.390
  728    HA   HIS  91           HA       HIS  91 -14.005   3.316 -11.700
  729   1HB   HIS  91          2HB       HIS  91 -12.128   2.107 -13.303
  730   2HB   HIS  91          1HB       HIS  91 -12.757   3.353 -14.380
  731    HD1  HIS  91           HD1      HIS  91 -10.085   2.990 -12.196
  732    HD2  HIS  91           HD2      HIS  91 -13.032   5.921 -12.511
  733    HE1  HIS  91           HE1      HIS  91  -9.167   5.055 -11.052
  734    H    ALA  92           HN       ALA  92 -16.080   4.211 -11.911
  735    HA   ALA  92           HA       ALA  92 -16.616   5.738 -14.289
  736   1HB   ALA  92          2HB       ALA  92 -17.424   3.088 -14.516
  737   2HB   ALA  92          1HB       ALA  92 -18.899   3.919 -14.024
  738   3HB   ALA  92          3HB       ALA  92 -18.037   4.436 -15.473
   
  No H/Q in entry =         738