*HEADER    STRUCTURAL GENOMICS                     05-NOV-99   1DCJ              
*TITLE     SOLUTION STRUCTURE OF YHHP, A NOVEL ESCHERICHIA COLI                  
*TITLE    2 PROTEIN IMPLICATED IN THE CELL DIVISION                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: YHHP PROTEIN;                                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                               
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_PLASMID: PET21                                     
*KEYWDS    ALPHA-BETA SANDWICH                                                   
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    E.KATOH, T.HATTA, H.SHINDO, T.MIZUNO, T.YAMAZAKI                      
*REVDAT   1   18-JUL-01 1DCJ    0                                                


 ! /disk4/katoh/Yhh_etk/noeHB_YhhP.tbl

!# of const.: i=0 i=1 15

!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!! NOE constraints from HN !!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!Met1 :
!! intraresidue
!! sequential
!! medium range
!! long range

!Thr2 :
!! intraresidue
!! sequential
!! medium range
!! long range

!Asp3 :
!! intraresidue
assign  (resid  3 and name hn)(resid  3 and name ha) 2.0 0.2 2.0 
!! sequential
assign  (resid  3 and name hn)(resid  2 and name ha) 2.0 0.2 3.0 
!! medium range
!! long range

!Leu4 :
!! intraresidue
assign  (resid  4 and name hn)(resid  4 and name ha) 2.0 0.2 2.0
assign  (resid  4 and name hn)(resid  4 and name hb1) 2.0 0.2 2.5 
assign  (resid  4 and name hn)(resid  4 and name hb2) 2.0 0.2 0.7 
assign  (resid  4 and name hn)(resid  4 and name hg) 2.0 0.2 1.5 
assign  (resid  4 and name hn)(resid  4 and name hd2#) 2.0 0.2 3.0 
!! sequential
assign  (resid  4 and name hn)(resid  3 and name ha) 2.0 0.2 0.7 
assign  (resid  4 and name hn)(resid  3 and name hb#) 2.0 0.2 3.0 
!! medium range
!! long range

!Phe5 :
!! intraresidue
assign  (resid  5 and name hn)(resid  5 and name ha) 2.0 0.2 1.5
assign  (resid  5 and name hn)(resid  5 and name hb1) 2.0 0.2 2.5
assign  (resid  5 and name hn)(resid  5 and name hb2) 2.0 0.2 0.7
assign  (resid  5 and name hn)(resid  5 and name hd2) 2.0 0.2 1.0 !hd1->hd2 7/2
assign  (resid  5 and name hn)(resid  5 and name hd1) 2.0 0.2 3.0 !hd2->hd1 7/2
!! sequential
assign  (resid  5 and name hn)(resid  4 and name hn) 2.0 0.2 1.5
assign  (resid  5 and name hn)(resid  4 and name ha) 2.0 0.2 2.5
assign  (resid  5 and name hn)(resid  4 and name hb1) 2.0 0.2 3.0
assign  (resid  5 and name hn)(resid  4 and name hb2) 2.0 0.2 2.5
assign  (resid  5 and name hn)(resid  4 and name hd2#) 2.0 0.2 5.0
!! medium range
assign  (resid  5 and name hn)(resid  3 and name hb#) 2.0 0.2 4.0
!! long range

!Ser6 :
!! intraresidue
assign  (resid  6 and name hn)(resid  6 and name ha) 2.0 0.2 1.5
assign  (resid  6 and name hn)(resid  6 and name hb1) 2.0 0.2 2.0
assign  (resid  6 and name hn)(resid  6 and name hb2) 2.0 0.2 0.7
!! sequential
assign  (resid  6 and name hn)(resid  5 and name hn) 2.0 0.2 0.7
assign  (resid  6 and name hn)(resid  5 and name hb1) 2.0 0.2 3.0
assign  (resid  6 and name hn)(resid  5 and name hb2) 2.0 0.2 2.0
!! medium range
assign  (resid  6 and name hn)(resid  3 and name hb#) 2.0 0.2 4.0
!! long range

!Ser7 :
!! intraresidue
assign  (resid  7 and name hn)(resid  7 and name ha) 2.0 0.2 1.5
assign  (resid  7 and name hn)(resid  7 and name hb#) 2.0 0.2 3.5
!! sequential
assign  (resid  7 and name hn)(resid  6 and name hn) 2.0 0.2 3.0 !2.0->3.0
assign  (resid  7 and name hn)(resid  6 and name ha) 2.0 0.2 0.7
assign  (resid  7 and name hn)(resid  6 and name hb2) 2.0 0.2 1.5
!! medium range
!! long range

!Pro8 :
!! intraresidue
!! sequential
assign  (resid 8 and name hd2)(resid  7 and name hn) 2.0 0.2 3.0 !1.5->3.0 7/2
!! medium range
!! long range

!Asp9 :
!! intraresidue
assign  (resid  9 and name hn)(resid  9 and name ha) 2.0 0.2 1.5
assign  (resid  9 and name hn)(resid  9 and name hb1) 2.0 0.2 2.5
assign  (resid  9 and name hn)(resid  9 and name hb2) 2.0 0.2 0.7
!! sequential
assign (resid  9 and name hn)(resid  8 and name ha) 2.0 0.2 0.7
assign (resid  9 and name hn)(resid  8 and name hb1) 2.0 0.2 1.5 
assign (resid  9 and name hn)(resid  8 and name hb2) 2.0 0.2 1.5 
assign  (resid  9 and name hn)(resid 10 and name hb2) 2.0 0.2 3.0
assign (resid  9 and name hn)(resid 10 and name hd2) 2.0 0.2 3.0 
!! medium range
!assign (resid  9 and name hn)(resid  6 and name ha) 2.0 0.2 2.5 
!! long range
assign  (resid  9 and name hn)(resid  38 and name hn) 2.0 0.2 1.5
assign  (resid  9 and name hn)(resid  38 and name hb) 2.0 0.2 3.0 
assign  (resid  9 and name hn)(resid  38 and name hg2#) 2.0 0.2 4.0 
assign  (resid  9 and name hn)(resid  38 and name hg1) 2.0 0.2 0.5 
assign  (resid  9 and name hn)(resid  76 and name hd1#) 2.0 0.2 4.5


!His10 :
!! intraresidue
assign  (resid  10 and name hn)(resid  10 and name ha) 2.0 0.2 2.5
assign  (resid  10 and name hn)(resid  10 and name hb1) 2.0 0.2 2.5
assign  (resid  10 and name hn)(resid  10 and name hb2) 2.0 0.2 0.7
assign  (resid  10 and name hn)(resid  10 and name hd2) 2.0 0.2 1.5
!! sequential
assign  (resid  10 and name hn)(resid  9 and name hn) 2.0 0.2 0.7
assign  (resid  10 and name hn)(resid  9 and name ha) 2.0 0.2 2.0
assign  (resid  10 and name hn)(resid  9 and name hb1) 2.0 0.2 2.0
assign  (resid  10 and name hn)(resid  9 and name hb2) 2.0 0.2 1.0
!! medium range
assign  (resid  10 and name hn)(resid  8 and name ha) 2.0 0.2 2.5
assign  (resid  10 and name hn)(resid  8 and name hb1) 2.0 0.2 3.0 
assign  (resid  10 and name hn)(resid  8 and name hb2) 2.0 0.2 1.5 
assign  (resid  10 and name hn)(resid  8 and name hg1) 2.0 0.2 3.0 
!! long range
assign  (resid  10 and name hn)(resid  38 and name hn) 2.0 0.2 3.0
assign  (resid  10 and name hn)(resid  38 and name hg1) 2.0 0.2 3.0
assign  (resid  10 and name hn)(resid  39 and name ha) 2.0 0.2 1.0
assign  (resid  10 and name hn)(resid  39 and name hb2) 2.0 0.2 3.0 
assign  (resid  10 and name hn)(resid  39 and name hg) 2.0 0.2 3.0 
assign  (resid  10 and name hn)(resid  39 and name hd1#) 2.0 0.2 3.5 
assign  (resid  10 and name hn)(resid  40 and name hn) 2.0 0.2 2.5

!Thr11 :
!! intraresidue
assign  (resid  11 and name hn)(resid  11 and name ha) 2.0 0.2 2.5
assign  (resid  11 and name hn)(resid  11 and name hb) 2.0 0.2 0.7
assign  (resid  11 and name hn)(resid  11 and name hg2#) 2.0 0.2 3.5
!! sequential
assign  (resid  11 and name hn)(resid  10 and name hn) 2.0 0.2 3.0
assign  (resid  11 and name hn)(resid  10 and name ha) 2.0 0.2 0.7
assign  (resid  11 and name hn)(resid  10 and name hb1) 2.0 0.2 1.0
assign  (resid  11 and name hn)(resid  10 and name hb2) 2.0 0.2 2.5
!! medium range
!assign  (resid  11 and name hn)(resid   8 and name hb2) 2.0 0.2 3.0 
!! long range
assign  (resid  11 and name hn)(resid  39 and name hd1#) 2.0 0.2 4.5 

!Leu12 :
!! intraresidue
assign  (resid  12 and name hn)(resid  12 and name ha) 2.0 0.2 2.5
assign  (resid  12 and name hn)(resid  12 and name hb1) 2.0 0.2 0.7
assign  (resid  12 and name hn)(resid  12 and name hb2) 2.0 0.2 1.5
assign  (resid  12 and name hn)(resid  12 and name hg) 2.0 0.2 3.0
!assign  (resid  12 and name hn)(resid  12 and name hd1#) 2.0 0.2 3.0
!! sequential
assign  (resid  12 and name hn)(resid  11 and name hn) 2.0 0.2 3.0
assign  (resid  12 and name hn)(resid  11 and name ha) 2.0 0.2 0.7
assign  (resid  12 and name hn)(resid  11 and name hb) 2.0 0.2 1.5
assign  (resid  12 and name hn)(resid  11 and name hg2#) 2.0 0.2 2.0
!! medium range
!! long range
assign (resid  12 and name hn)(resid  39 and name hd1#) 2.0 0.0 3.5
assign (resid  12 and name hn)(resid  39 and name hd2#) 2.0 0.0 4.5
assign  (resid  12 and name hn)(resid  40 and name hn) 2.0 0.2 2.5
assign  (resid  12 and name hn)(resid  40 and name hb1) 2.0 0.2 2.5
assign  (resid  12 and name hn)(resid  41 and name ha) 2.0 0.2 0.7
assign  (resid  12 and name hn)(resid  41 and name hg11) 2.0 0.2 3.0
assign  (resid  12 and name hn)(resid  41 and name hg12) 2.0 0.2 3.0
assign  (resid  12 and name hn)(resid  42 and name hn) 2.0 0.2 3.0

!Asp13 :
!! intraresidue
assign  (resid  13 and name hn)(resid  13 and name ha) 2.0 0.2 2.5
assign  (resid  13 and name hn)(resid  13 and name hb1) 2.0 0.2 0.7
assign  (resid  13 and name hn)(resid  13 and name hb2) 2.0 0.2 1.5
!! sequential
assign  (resid  13 and name hn)(resid  12 and name hn) 2.0 0.2 3.0
assign  (resid  13 and name hn)(resid  12 and name ha) 2.0 0.2 0.7
assign  (resid  13 and name hn)(resid  12 and name hb1) 2.0 0.2 3.0
assign  (resid  13 and name hn)(resid  12 and name hb2) 2.0 0.2 3.0
assign  (resid  13 and name hn)(resid  12 and name hg) 2.0 0.2 2.5
assign  (resid  13 and name hn)(resid  12 and name hd1#) 2.0 0.2 2.0
assign  (resid  13 and name hn)(resid  12 and name hd2#) 2.0 0.2 3.5
!! medium range
assign  (resid  13 and name hn)(resid  11 and name hg2#) 2.0 0.2 4.0
!! long range

!Ala14 :
!! intraresidue
assign  (resid  14 and name hn)(resid  14 and name ha) 2.0 0.2 2.5
assign  (resid  14 and name hn)(resid  14 and name hb#) 2.0 0.2 2.0
!! sequential
assign  (resid  14 and name hn)(resid  13 and name ha) 2.0 0.2 0.7
assign  (resid  14 and name hn)(resid  13 and name hb1) 2.0 0.2 2.5
assign  (resid  14 and name hn)(resid  13 and name hb2) 2.0 0.2 2.5
assign  (resid  14 and name hn)(resid  15 and name ha) 2.0 0.2 3.0 
assign  (resid  14 and name hn)(resid  15 and name hb1) 2.0 0.2 2.5 
assign  (resid  14 and name hn)(resid  15 and name hb2) 2.0 0.2 3.0 
assign  (resid  14 and name hn)(resid  15 and name hg) 2.0 0.2 2.5 
assign  (resid  14 and name hn)(resid  15 and name hd1#) 2.0 0.2 2.5
assign  (resid  14 and name hn)(resid  15 and name hd2#) 2.0 0.2 4.5
!! medium range
!! long range
assign  (resid  14 and name hn)(resid  42 and name hn) 2.0 0.2 1.5
assign (resid 14 and name hn)(resid  42 and name hb) 2.0 0.2 1.5
assign  (resid  14 and name hn)(resid  43 and name ha) 2.0 0.2 2.0

!Leu15 :
!! intraresidue
assign  (resid  15 and name hn)(resid  15 and name ha) 2.0 0.2 2.0
assign  (resid  15 and name hn)(resid  15 and name hb1) 2.0 0.2 2.5
assign  (resid  15 and name hn)(resid  15 and name hb2) 2.0 0.2 0.7
assign  (resid  15 and name hn)(resid  15 and name hg) 2.0 0.2 0.7
assign  (resid  15 and name hn)(resid  15 and name hd1#) 2.0 0.2 2.5
assign  (resid  15 and name hn)(resid  15 and name hd2#) 2.0 0.2 3.5
!! sequential
assign  (resid  15 and name hn)(resid  14 and name hn) 2.0 0.2 0.7
assign  (resid  15 and name hn)(resid  14 and name ha) 2.0 0.2 2.5
assign  (resid  15 and name hn)(resid  14 and name hb#) 2.0 0.2 3.0
!! medium range
assign  (resid  15 and name hn)(resid  13 and name ha) 2.0 0.2 2.0 
assign  (resid  15 and name hn)(resid  13 and name hb1) 2.0 0.2 3.0 
assign  (resid  15 and name hn)(resid  17 and name hn) 2.0 0.2 3.0
!! long range
assign  (resid  15 and name hn)(resid  45 and name hn) 2.0 0.2 3.0
assign  (resid  15 and name hn)(resid  44 and name hn) 2.0 0.2 2.0
assign  (resid  15 and name hn)(resid  43 and name hn) 2.0 0.2 3.0
assign (resid  15 and name hn)(resid  43 and name ha) 2.0 0.2 2.5
assign  (resid  15 and name hn)(resid  42 and name hb) 2.0 0.2 3.0

!Gly16 :
!! intraresidue
assign  (resid  16 and name hn)(resid  16 and name ha1) 2.0 0.2 2.0
assign  (resid  16 and name hn)(resid  16 and name ha2) 2.0 0.2 0.7
!! sequential
assign  (resid  16 and name hn)(resid  15 and name hn) 2.0 0.2 3.0
assign  (resid  16 and name hn)(resid  15 and name ha) 2.0 0.2 0.7
assign  (resid  16 and name hn)(resid  15 and name hb1) 2.0 0.2 1.5
assign  (resid  16 and name hn)(resid  15 and name hb2) 2.0 0.2 2.5
assign  (resid  16 and name hn)(resid  15 and name hd1#) 2.0 0.2 4.5
assign  (resid  16 and name hn)(resid  15 and name hd2#) 2.0 0.2 3.0
!! medium range
!! long range
assign  (resid  16 and name hn)(resid  43 and name ha) 2.0 0.2 2.5
assign  (resid  16 and name hn)(resid  44 and name hn) 2.0 0.2 2.0
assign  (resid  16 and name hn)(resid  44 and name ha) 2.0 0.2 3.0
assign  (resid  16 and name hn)(resid  44 and name hb2) 2.0 0.2 3.0

!Leu17 :
!! intraresidue
assign  (resid  17 and name hn)(resid  17 and name ha) 2.0 0.2 2.5
assign  (resid  17 and name hn)(resid  17 and name hb1) 2.0 0.2 2.5 
assign  (resid  17 and name hn)(resid  17 and name hb2) 2.0 0.2 0.7 
assign  (resid  17 and name hn)(resid  17 and name hg) 2.0 0.2 0.7 
!! sequential
assign  (resid  17 and name hn)(resid  16 and name hn) 2.0 0.2 0.7
assign  (resid  17 and name hn)(resid  16 and name ha1) 2.0 0.2 1.5
assign  (resid  17 and name hn)(resid  16 and name ha2) 2.0 0.2 1.5
assign  (resid  17 and name hn)(resid  18 and name hb1) 2.0 0.2 3.0
!! medium range
assign  (resid  17 and name hn)(resid  14 and name hb#) 2.0 0.2 4.0
assign  (resid  17 and name hn)(resid  15 and name ha) 2.0 0.2 2.0
!! long range
assign  (resid  17 and name hn)(resid  44 and name hn) 2.0 0.2 3.0
assign  (resid  17 and name hn)(resid  45 and name hb1) 2.0 0.2 3.0

!Arg18 :
!! intraresidue
assign  (resid  18 and name hn)(resid  18 and name ha) 2.0 0.2 2.5
assign  (resid  18 and name hn)(resid  18 and name hb1) 2.0 0.2 1.5 
assign  (resid  18 and name hn)(resid  18 and name hb2) 2.0 0.2 2.5 
assign  (resid  18 and name hn)(resid  18 and name hg#) 2.0 0.2 3.0 
!! sequential
assign  (resid  18 and name hn)(resid  17 and name hn) 2.0 0.2 3.0
assign  (resid  18 and name hn)(resid  17 and name ha) 2.0 0.2 0.7
assign  (resid  18 and name hn)(resid  17 and name hb1) 2.0 0.2 1.5
assign  (resid  18 and name hn)(resid  17 and name hd1#) 2.0 0.2 3.0
!! medium range
assign  (resid  18 and name hn)(resid  21 and name ha) 2.0 0.2 3.0 
assign  (resid  18 and name hn)(resid  21 and name hb1) 2.0 0.2 2.5 
assign  (resid  18 and name hn)(resid  21 and name hb2) 2.0 0.2 1.5 
assign  (resid  18 and name hn)(resid  21 and name hg#) 2.0 0.2 4.5
assign  (resid  18 and name hn)(resid  22 and name hd1) 2.0 0.2 2.5 
assign  (resid  18 and name hn)(resid  22 and name hd2) 2.0 0.2 3.0 
!! long range

!Cys19 :
!! intraresidue
assign  (resid  19 and name hn)(resid  19 and name ha) 2.0 0.2 2.5
assign  (resid  19 and name hn)(resid  19 and name hb1) 2.0 0.2 0.7
assign  (resid  19 and name hn)(resid  19 and name hb2) 2.0 0.2 1.2
!! sequential
assign  (resid  19 and name hn)(resid  18 and name ha) 2.0 0.2 0.7
assign  (resid  19 and name hn)(resid  18 and name hb1) 2.0 0.2 1.5 
assign  (resid  19 and name hn)(resid  18 and name hb2) 2.0 0.2 1.5
assign  (resid  19 and name hn)(resid  18 and name hg#) 2.0 0.2 4.5 
assign  (resid  19 and name hn)(resid  18 and name hd#) 2.0 0.2 4.5 
!! medium range
assign  (resid  19 and name hn)(resid  22 and name hd2) 2.0 0.2 3.0 
!!! long range
!assign  (resid  19 and name hn)(resid  47 and name hb#) 2.0 0.2 3.5 

!Pro20 :
!! intraresidue
!! sequential
!! medium range
!! long range

!Glu21 :
!! intraresidue
assign  (resid  21 and name hn)(resid  21 and name ha) 2.0 0.2 2.0
assign  (resid  21 and name hn)(resid  21 and name hb1) 2.0 0.2 2.5 
assign  (resid  21 and name hn)(resid  21 and name hb2) 2.0 0.2 0.7 
assign  (resid  21 and name hn)(resid  21 and name hg#) 2.0 0.2 4.5 
!! sequential
assign  (resid  21 and name hn)(resid  20 and name ha) 2.0 0.2 1.5
assign  (resid  21 and name hn)(resid  20 and name hg1) 2.0 0.2 2.5 
assign  (resid  21 and name hn)(resid  20 and name hg2) 2.0 0.2 1.5
assign  (resid  21 and name hn)(resid  20 and name hd1) 2.0 0.2 2.5 
assign  (resid  21 and name hn)(resid  20 and name hd2) 2.0 0.2 1.5
assign  (resid  21 and name hn)(resid  22 and name hd1) 2.0 0.2 0.7 
assign  (resid  21 and name hn)(resid  22 and name hd2) 2.0 0.2 1.0     
!! medium range
!assign  (resid  21 and name hn)(resid  18 and name hn) 2.0 0.2 3.0
assign  (resid  21 and name hn)(resid  19 and name ha) 2.0 0.2 1.2
assign  (resid  21 and name hn)(resid  19 and name hb2) 2.0 0.2 3.0
!! long range

!Pro22 :
!! intraresidue
!! sequential
!! medium range
!! long range

!Val23 :
!! intraresidue
assign  (resid  23 and name hn)(resid  23 and name ha) 2.0 0.2 2.0
assign  (resid  23 and name hn)(resid  23 and name hb) 2.0 0.2 0.7
assign  (resid  23 and name hn)(resid  23 and name hg1#) 2.0 0.2 4.5
assign  (resid  23 and name hn)(resid  23 and name hg2#) 2.0 0.2 2.0
!! sequential
assign  (resid  23 and name hn)(resid  22 and name ha) 2.0 0.2 2.0
assign  (resid  23 and name hn)(resid  22 and name hb1) 2.0 0.2 1.5     
assign  (resid  23 and name hn)(resid  22 and name hb2) 2.0 0.2 0.7     
assign  (resid  23 and name hn)(resid  22 and name hg1) 2.0 0.2 3.0 
assign  (resid  23 and name hn)(resid  22 and name hg2) 2.0 0.2 2.5     
assign  (resid  23 and name hn)(resid  22 and name hd1) 2.0 0.2 2.5 
assign  (resid  23 and name hn)(resid  22 and name hd2) 2.0 0.2 1.0     
!! medium range
!assign  (resid  23 and name hn)(resid  20 and name ha) 2.0 0.2 3.0
!! long range
assign  (resid  23 and name hn)(resid  52 and name hb) 2.0 0.2 3.0   !!
assign  (resid  23 and name hn)(resid  52 and name hd1#) 2.0 0.2 4.5 !!

!Met24 :
!! intraresidue
assign  (resid  24 and name hn)(resid  24 and name ha) 2.0 0.2 2.0
assign  (resid  24 and name hn)(resid  24 and name hb1) 2.0 0.2 2.5
assign  (resid  24 and name hn)(resid  24 and name hb2) 2.0 0.2 0.7
!! sequential
assign  (resid  24 and name hn)(resid  23 and name hn) 2.0 0.2 0.7
assign  (resid  24 and name hn)(resid  23 and name ha) 2.0 0.2 2.0
assign  (resid  24 and name hn)(resid  23 and name hb) 2.0 0.2 0.7
assign  (resid  24 and name hn)(resid  23 and name hg1#) 2.0 0.2 4.5
assign  (resid  24 and name hn)(resid  23 and name hg2#) 2.0 0.2 4.5
!! medium range
assign  (resid  24 and name hn)(resid  21 and name ha) 2.0 0.2 1.2 
assign  (resid  24 and name hn)(resid  22 and name hb2) 2.0 0.2 2.5 
assign  (resid  24 and name hn)(resid  22 and name hg2) 2.0 0.2 3.0 
assign  (resid  24 and name hn)(resid  22 and name hd2) 2.0 0.2 3.0 
!! long range

!Met25 :
!! intraresidue
assign  (resid  25 and name hn)(resid  25 and name ha) 2.0 0.2 2.0
assign  (resid  25 and name hn)(resid  25 and name hb1) 2.0 0.2 2.5
assign  (resid  25 and name hn)(resid  25 and name hb2) 2.0 0.2 0.7
!! sequential
assign  (resid  25 and name hn)(resid  24 and name hn) 2.0 0.2 0.7
assign  (resid  25 and name hn)(resid  24 and name ha) 2.0 0.2 2.0
assign  (resid  25 and name hn)(resid  24 and name hb1) 2.0 0.2 2.0
assign  (resid  25 and name hn)(resid  24 and name hb2) 2.0 0.2 0.7
assign  (resid  25 and name hn)(resid  26 and name hg2#) 2.0 0.2 3.5
!! medium range
assign  (resid  25 and name hn)(resid  21 and name ha) 2.0 0.2 2.5 
assign  (resid  25 and name hn)(resid  22 and name ha) 2.0 0.2 2.5      
assign  (resid  25 and name hn)(resid  23 and name hn) 2.0 0.2 3.0
assign  (resid  25 and name hn)(resid  23 and name ha) 2.0 0.2 3.0
!! long range

!Val26 :
!! intraresidue
assign  (resid  26 and name hn)(resid  26 and name ha) 2.0 0.2 2.0
assign  (resid  26 and name hn)(resid  26 and name hb) 2.0 0.2 0.7
assign  (resid  26 and name hn)(resid  26 and name hg1#) 2.0 0.2 4.5
assign  (resid  26 and name hn)(resid  26 and name hg2#) 2.0 0.2 2.0
!! sequential
assign  (resid  26 and name hn)(resid  25 and name hn) 2.0 0.2 0.7
assign  (resid  26 and name hn)(resid  25 and name ha) 2.0 0.2 2.0
assign  (resid  26 and name hn)(resid  25 and name hb1) 2.0 0.2 1.5
assign  (resid  26 and name hn)(resid  25 and name hb2) 2.0 0.2 0.7
!! medium range
assign  (resid  26 and name hn)(resid  22 and name ha) 2.0 0.2 2.5
assign  (resid  26 and name hn)(resid  23 and name ha) 2.0 0.2 2.0
assign  (resid  26 and name hn)(resid  24 and name hn) 2.0 0.2 3.0
!! long range
assign  (resid  26 and name hn)(resid  12 and name hg) 2.0 0.2 3.0
assign  (resid  26 and name hn)(resid  12 and name hd2#) 2.0 0.2 4.0

!Arg27 :
!! intraresidue
assign  (resid  27 and name hn)(resid  27 and name ha) 2.0 0.2 2.0
assign  (resid  27 and name hn)(resid  27 and name hb#) 2.0 0.2 2.5
!! sequential
assign  (resid  27 and name hn)(resid  26 and name hn) 2.0 0.2 0.7
assign  (resid  27 and name hn)(resid  26 and name ha) 2.0 0.2 2.0
assign  (resid  27 and name hn)(resid  26 and name hb) 2.0 0.2 0.7
assign  (resid  27 and name hn)(resid  26 and name hg1#) 2.0 0.2 4.5
assign  (resid  27 and name hn)(resid  26 and name hg2#) 2.0 0.2 3.0
!! medium range
assign  (resid  27 and name hn)(resid  25 and name hn) 2.0 0.2 3.0
assign  (resid  27 and name hn)(resid  24 and name ha) 2.0 0.2 1.5
assign  (resid  27 and name hn)(resid  23 and name ha) 2.0 0.2 2.5
!! long range
!assign  (resid  27 and name hn)(resid  12 and name hd2#) 2.0 0.2 4.5
assign  (resid  27 and name hn)(resid  55 and name he2) 2.0 0.2 1.0
assign  (resid  27 and name hn)(resid  55 and name hz) 2.0 0.2 3.0

!Lys28 :
!! intraresidue
assign  (resid  28 and name hn)(resid  28 and name ha) 2.0 0.2 2.0
!! sequential
assign  (resid  28 and name hn)(resid  27 and name hn) 2.0 0.2 0.7
assign  (resid  28 and name hn)(resid  27 and name ha) 2.0 0.2 2.0
!! medium range
assign  (resid  28 and name hn)(resid  26 and name hn) 2.0 0.2 3.0
assign  (resid  28 and name hn)(resid  26 and name ha) 2.0 0.2 3.0 
assign  (resid  28 and name hn)(resid  25 and name ha) 2.0 0.2 1.5
assign  (resid  28 and name hn)(resid  24 and name ha) 2.0 0.2 2.5 
assign  (resid  28 and name hn)(resid  30 and name hg1#) 2.0 0.2 4.5 
assign  (resid  28 and name hn)(resid  30 and name hg2#) 2.0 0.2 4.5 
!! long range

!Thr29 :
!! intraresidue
assign  (resid  29 and name hn)(resid  29 and name ha) 2.0 0.2 2.0
assign  (resid  29 and name hn)(resid  29 and name hb) 2.0 0.2 0.7
assign  (resid  29 and name hn)(resid  29 and name hg2#) 2.0 0.2 3.0
!! sequential
assign  (resid  29 and name hn)(resid  28 and name hn) 2.0 0.2 0.7
!! medium range
assign  (resid  29 and name hn)(resid  27 and name hn) 2.0 0.2 3.0
assign  (resid  29 and name hn)(resid  26 and name ha) 2.0 0.2 1.5
assign  (resid  29 and name hn)(resid  25 and name ha) 2.0 0.2 2.5 
!! long range
!assign  (resid  29 and name hn)(resid  59 and name ha) 2.0 0.2 3.0 !!
!assign  (resid  29 and name hn)(resid  60 and name hn) 2.0 0.2 4.0      !!

!Val30 :
!! intraresidue
assign  (resid  30 and name hn)(resid  30 and name ha) 2.0 0.2 2.0
assign  (resid  30 and name hn)(resid  30 and name hb) 2.0 0.2 0.7
assign  (resid  30 and name hn)(resid  30 and name hg1#) 2.0 0.2 4.5
assign  (resid  30 and name hn)(resid  30 and name hg2#) 2.0 0.2 2.0
!! sequential
assign  (resid  30 and name hn)(resid  29 and name hn) 2.0 0.2 0.7
assign  (resid  30 and name hn)(resid  29 and name ha) 2.0 0.2 2.0
assign  (resid  30 and name hn)(resid  29 and name hb) 2.0 0.2 0.7
assign  (resid  30 and name hn)(resid  29 and name hg2#) 2.0 0.2 3.0
!! medium range
assign  (resid  30 and name hn)(resid  28 and name hn) 2.0 0.2 3.0
assign  (resid  30 and name hn)(resid  27 and name ha) 2.0 0.2 1.5
assign  (resid  30 and name hn)(resid  27 and name hg#) 2.0 0.2 4.0 
assign  (resid  30 and name hn)(resid  27 and name hd#) 2.0 0.2 4.0 
assign  (resid  30 and name hn)(resid  26 and name ha) 2.0 0.2 2.0
assign  (resid  30 and name hn)(resid  26 and name hg1#) 2.0 0.2 4.0
!! long range

!Arg31 :
!! intraresidue
assign  (resid  31 and name hn)(resid  31 and name ha) 2.0 0.2 2.0
assign  (resid  31 and name hn)(resid  31 and name hb1) 2.0 0.2 2.5 
assign  (resid  31 and name hn)(resid  31 and name hb2) 2.0 0.2 0.7 
assign  (resid  31 and name hn)(resid  31 and name hg#) 2.0 0.2 2.0 
assign  (resid  31 and name hn)(resid  31 and name hd#) 2.0 0.2 3.0 
!! sequential
assign  (resid  31 and name hn)(resid  30 and name hn) 2.0 0.2 0.7
assign  (resid  31 and name hn)(resid  30 and name ha) 2.0 0.2 2.0
assign  (resid  31 and name hn)(resid  30 and name hb) 2.0 0.2 0.7
assign  (resid  31 and name hn)(resid  30 and name hg1#) 2.0 0.2 4.5
assign  (resid  31 and name hn)(resid  30 and name hg2#) 2.0 0.2 4.5
!! medium range
assign  (resid  31 and name hn)(resid  28 and name ha) 2.0 0.2 1.5
assign  (resid  31 and name hn)(resid  29 and name hn) 2.0 0.2 3.0
assign  (resid  31 and name hn)(resid  29 and name ha) 2.0 0.2 3.0 
assign  (resid  31 and name hn)(resid  29 and name hg2#) 2.0 0.2 4.5 
!! long range

!Asn32 :
!! intraresidue
assign  (resid  32 and name hn)(resid  32 and name ha) 2.0 0.2 2.0
assign  (resid  32 and name hn)(resid  32 and name hb1) 2.0 0.2 1.5
assign  (resid  32 and name hn)(resid  32 and name hb2) 2.0 0.2 2.5
!! sequential
assign  (resid  32 and name hn)(resid  31 and name hn) 2.0 0.2 0.7
assign  (resid  32 and name hn)(resid  31 and name ha) 2.0 0.2 2.0
assign  (resid  32 and name hn)(resid  31 and name hb1) 2.0 0.2 2.0
assign  (resid  32 and name hn)(resid  31 and name hb2) 2.0 0.2 0.7
assign  (resid  32 and name hn)(resid  31 and name hg#) 2.0 0.2 4.5
!! medium range
assign  (resid  32 and name hn)(resid  30 and name hn) 2.0 0.2 3.0
assign  (resid  32 and name hn)(resid  30 and name hg1#) 2.0 0.2 4.5
assign  (resid  32 and name hn)(resid  29 and name ha) 2.0 0.2 2.0
assign  (resid  32 and name hn)(resid  29 and name hb) 2.0 0.2 3.0
assign  (resid  32 and name hn)(resid  29 and name hg2#) 2.0 0.2 4.5
!! medium range
!! long range

!Met33 :
!! intraresidue
assign  (resid  33 and name hn)(resid  33 and name ha) 2.0 0.2 2.0
assign  (resid  33 and name hn)(resid  33 and name hb1) 2.0 0.2 2.5
assign  (resid  33 and name hn)(resid  33 and name hb2) 2.0 0.2 0.7
assign  (resid  33 and name hn)(resid  33 and name hg1) 2.0 0.2 3.0
assign  (resid  33 and name hn)(resid  33 and name hg1) 2.0 0.2 2.2
assign  (resid  33 and name hn)(resid  33 and name he#) 2.0 0.2 4.5 
!! sequential
assign  (resid  33 and name hn)(resid  32 and name hn) 2.0 0.2 0.7
assign  (resid  33 and name hn)(resid  32 and name ha) 2.0 0.2 2.0
assign  (resid  33 and name hn)(resid  32 and name hb1) 2.0 0.2 2.5
assign  (resid  33 and name hn)(resid  32 and name hb2) 2.0 0.2 3.0
!! medium range
assign  (resid  33 and name hn)(resid  31 and name hn) 2.0 0.2 3.0
assign  (resid  33 and name hn)(resid  31 and name ha) 2.0 0.2 3.0 
assign  (resid  33 and name hn)(resid  30 and name ha) 2.0 0.2 1.5
assign  (resid  33 and name hn)(resid  30 and name hg1#) 2.0 0.2 4.0
assign  (resid  33 and name hn)(resid  30 and name hg2#) 2.0 0.2 4.5
assign  (resid  33 and name hn)(resid  29 and name ha) 2.0 0.2 3.0
!! long range
!!assign  (resid  33 and name hn)(resid  38 and name hg2#) 2.0 0.2 4.5

!Gln34 :
!! intraresidue
assign  (resid  34 and name hn)(resid  34 and name ha) 2.0 0.2 3.0
assign  (resid  34 and name hn)(resid  34 and name hb2) 2.0 0.2 0.7
assign  (resid  34 and name hn)(resid  34 and name hg#) 2.0 0.2 3.0
!! sequential
assign  (resid  34 and name hn)(resid  33 and name hn) 2.0 0.2 3.0
assign  (resid  34 and name hn)(resid  33 and name ha) 2.0 0.2 0.7
assign  (resid  34 and name hn)(resid  33 and name hb#) 2.0 0.2 3.0
assign  (resid  34 and name hn)(resid  33 and name hg#) 2.0 0.2 2.0
assign  (resid  34 and name hn)(resid  33 and name he#) 2.0 0.2 4.5 
assign  (resid  34 and name hn)(resid  35 and name ha) 2.0 0.2 3.0 
assign  (resid  34 and name hn)(resid  35 and name hd2) 2.0 0.2 3.0 
!! medium range
!assign  (resid  34 and name hn)(resid  37 and name hn) 2.0 0.2 3.0
!! long range

!Pro35 :
!! intraresidue
!! sequential
!! medium range
!! long range

!Gly36 :
!! intraresidue
!! sequential
assign  (resid  36 and name hn)(resid  35 and name ha) 2.0 0.2 0.7
assign  (resid  36 and name hn)(resid  35 and name hb1) 2.0 0.2 2.0
!assign  (resid  36 and name hn)(resid  37 and name hb1) 2.0 0.2 2.0 
!! medium range
assign  (resid  36 and name hn)(resid  33 and name he#) 2.0 0.2 3.5 
!! long range
assign  (resid  36 and name hn)(resid  79 and name hn) 2.0 0.2 3.0
assign  (resid  36 and name hn)(resid  79 and name ha) 2.0 0.2 3.0
assign  (resid  36 and name hn)(resid  79 and name hb#) 2.0 0.2 4.0
assign  (resid  36 and name hn)(resid  79 and name hd#) 2.0 0.2 4.5

!Glu37 :
!! intraresidue
assign  (resid  37 and name hn)(resid  37 and name ha) 2.0 0.2 2.5
assign  (resid  37 and name hn)(resid  37 and name hb1) 2.0 0.2 1.5 
assign  (resid  37 and name hn)(resid  37 and name hb2) 2.0 0.2 0.7
assign  (resid  37 and name hn)(resid  37 and name hg#) 2.0 0.2 3.5 
!! sequential
assign  (resid  37 and name hn)(resid  36 and name hn) 2.0 0.2 0.7
assign  (resid  37 and name hn)(resid  36 and name ha#) 2.0 0.2 4.0
!! medium range
assign  (resid  37 and name hn)(resid  33 and name he#) 2.0 0.2 4.5 
assign  (resid  37 and name hn)(resid  34 and name hb2) 2.0 0.2 3.0 
assign  (resid  37 and name hn)(resid  35 and name ha) 2.0 0.2 2.0
!! long range
assign  (resid  37 and name hn)(resid  79 and name hn) 2.0 0.2 2.5
assign  (resid  37 and name hn)(resid  78 and name hb#) 2.0 0.2 3.5
assign  (resid  37 and name hn)(resid  78 and name hg#) 2.0 0.2 3.5
assign  (resid  37 and name hn)(resid  78 and name hd#) 2.0 0.2 5.0

!Thr38 :
!! intraresidue
assign  (resid  38 and name hn)(resid  38 and name ha) 2.0 0.2 2.5
assign  (resid  38 and name hn)(resid  38 and name hb) 2.0 0.2 3.0
assign  (resid  38 and name hn)(resid  38 and name hg2#) 2.0 0.2 2.5
assign  (resid  38 and name hn)(resid  38 and name hg1) 2.0 0.2 1.5
!! sequential
assign  (resid  38 and name hn)(resid  37 and name hn) 2.0 0.2 3.0
assign  (resid  38 and name hn)(resid  37 and name ha) 2.0 0.2 0.7
assign  (resid  38 and name hn)(resid  37 and name hb1) 2.0 0.2 1.5 
assign  (resid  38 and name hn)(resid  37 and name hb2) 2.0 0.2 3.0
assign  (resid  38 and name hn)(resid  37 and name hg#) 2.0 0.2 4.0 
!! medium range
assign  (resid  38 and name hn)(resid  33 and name he#) 2.0 0.2 4.5 
!! long range
assign  (resid  38 and name hn)(resid  8 and name ha) 2.0 0.2 3.0
assign  (resid  38 and name hn)(resid  9 and name hn) 2.0 0.2 1.5
assign  (resid  38 and name hn)(resid  9 and name ha) 2.0 0.2 3.0
assign  (resid  38 and name hn)(resid  9 and name hb1) 2.0 0.2 2.0
assign  (resid  38 and name hn)(resid  9 and name hb2) 2.0 0.2 1.0
assign  (resid  38 and name hn)(resid  10 and name hn) 2.0 0.2 3.0
assign  (resid  38 and name hn)(resid  10 and name hd2) 2.0 0.2 2.5 !!
assign  (resid  38 and name hn)(resid  78 and name ha) 2.0 0.2 3.0

!Leu39 :
!! intraresidue
assign  (resid  39 and name hn)(resid  39 and name ha) 2.0 0.2 2.5
assign  (resid  39 and name hn)(resid  39 and name hb1) 2.0 0.2 0.7
assign  (resid  39 and name hn)(resid  39 and name hb2) 2.0 0.2 1.5
assign  (resid  39 and name hn)(resid  39 and name hg) 2.0 0.2 2.5
assign  (resid  39 and name hn)(resid  39 and name hd1#) 2.0 0.2 4.0
assign  (resid  39 and name hn)(resid  39 and name hd2#) 2.0 0.2 4.5
!! sequential
assign  (resid  39 and name hn)(resid  38 and name ha) 2.0 0.2 0.7
assign  (resid  39 and name hn)(resid  38 and name hb) 2.0 0.2 1.2
assign  (resid  39 and name hn)(resid  38 and name hg2#) 2.0 0.2 2.5
!! medium range
!assign  (resid  39 and name hn)(resid  33 and name he#) 2.0 0.2 3.5
!! long range
assign  (resid  39 and name hn)(resid  76 and name hd1#) 2.0 0.2 3.0
assign  (resid  39 and name hn)(resid  77 and name hn) 2.0 0.2 1.0
assign  (resid  39 and name hn)(resid  78 and name ha) 2.0 0.2 3.0

!Leu40 :
!! intraresidue
assign  (resid  40 and name hn)(resid  40 and name ha) 2.0 0.2 2.5
assign  (resid  40 and name hn)(resid  40 and name hb1) 2.0 0.2 0.7
assign  (resid  40 and name hn)(resid  40 and name hb2) 2.0 0.2 1.5
assign  (resid  40 and name hn)(resid  40 and name hg) 2.0 0.2 3.0
assign  (resid  40 and name hn)(resid  40 and name hd1#) 2.0 0.2 3.5
!! sequential
assign  (resid  40 and name hn)(resid  39 and name ha) 2.0 0.2 0.7
assign  (resid  40 and name hn)(resid  39 and name hb2) 2.0 0.2 2.5 
assign  (resid  40 and name hn)(resid  39 and name hd1#) 2.0 0.2 2.2
assign  (resid  40 and name hn)(resid  39 and name hd2#) 2.0 0.2 4.0
!! medium range
!! long range
assign  (resid  40 and name hn)(resid   8 and name ha) 2.0 0.2 3.0 
assign  (resid  40 and name hn)(resid   8 and name hb1) 2.0 0.2 2.0 
assign  (resid  40 and name hn)(resid   8 and name hg2) 2.0 0.2 3.0 
assign  (resid  40 and name hn)(resid  10 and name hn) 2.0 0.2 3.0
assign  (resid  40 and name hn)(resid  10 and name hb2) 2.0 0.2 3.0
assign  (resid  40 and name hn)(resid  11 and name ha) 2.0 0.2 1.0
assign  (resid  40 and name hn)(resid  12 and name hn) 2.0 0.2 2.5
assign  (resid  40 and name hn)(resid  76 and name hd1#) 2.0 0.2 4.0

!Ile41 :
!! intraresidue
assign  (resid  41 and name hn)(resid  41 and name ha) 2.0 0.2 2.5
assign  (resid  41 and name hn)(resid  41 and name hb) 2.0 0.2 1.2
assign  (resid  41 and name hn)(resid  41 and name hg11) 2.0 0.2 0.7
assign  (resid  41 and name hn)(resid  41 and name hg12) 2.0 0.2 1.5
!! sequential
assign  (resid  41 and name hn)(resid  40 and name hn) 2.0 0.2 3.0
assign  (resid  41 and name hn)(resid  40 and name ha) 2.0 0.2 0.7
assign  (resid  41 and name hn)(resid  40 and name hb1) 2.0 0.2 3.0
assign  (resid  41 and name hn)(resid  40 and name hb2) 2.0 0.2 2.5
assign  (resid  41 and name hn)(resid  40 and name hg) 2.0 0.2 2.5
assign  (resid  41 and name hn)(resid  40 and name hd2#) 2.0 0.2 3.0
!! medium range
!! long range
assign  (resid  41 and name hn)(resid  75 and name hn) 2.0 0.2 1.5
assign  (resid  41 and name hn)(resid  75 and name hb2) 2.0 0.2 3.0
assign  (resid  41 and name hn)(resid  75 and name hd2) 2.0 0.2 3.0 
assign  (resid  41 and name hn)(resid  76 and name hn) 2.0 0.2 3.0
assign  (resid  41 and name hn)(resid  76 and name ha) 2.0 0.2 2.0
!assign  (resid  41 and name hn)(resid  76 and name hd2#) 2.0 0.2 4.0

!Ile42 :
!! intraresidue
assign  (resid  42 and name hn)(resid  42 and name ha) 2.0 0.2 2.5
assign  (resid  42 and name hn)(resid  42 and name hb) 2.0 0.2 1.5
assign  (resid  42 and name hn)(resid  42 and name hg11) 2.0 0.2 1.5
assign  (resid  42 and name hn)(resid  42 and name hg12) 2.0 0.2 1.5
!! sequential
assign  (resid  42 and name hn)(resid  41 and name ha) 2.0 0.2 0.7
assign  (resid  42 and name hn)(resid  41 and name hg2#) 2.0 0.2 3.0
!! medium range
!! long range
assign  (resid  42 and name hn)(resid  12 and name hn) 2.0 0.2 3.0
assign  (resid  42 and name hn)(resid  13 and name ha) 2.0 0.2 1.0
assign  (resid  42 and name hn)(resid  14 and name hn) 2.0 0.2 1.5
assign (resid  42 and name hn)(resid  15 and name hn) 2.0 0.2 3.0

!Ala43 :
!! intraresidue
assign  (resid  43 and name hn)(resid  43 and name ha) 2.0 0.2 2.5
assign  (resid  43 and name hn)(resid  43 and name hb#) 2.0 0.2 2.5
!! sequential
assign  (resid  43 and name hn)(resid  42 and name hn) 2.0 0.2 3.0
assign  (resid  43 and name hn)(resid  42 and name ha) 2.0 0.2 0.7
assign  (resid  43 and name hn)(resid  42 and name hb) 2.0 0.2 3.0
assign  (resid  43 and name hn)(resid  42 and name hg1#) 2.0 0.2 4.5
assign  (resid  43 and name hn)(resid  42 and name hg2#) 2.0 0.2 2.2
assign  (resid  43 and name hn)(resid  42 and name hd1#) 2.0 0.2 3.0
!! medium range
!! long range
assign  (resid  43 and name hn)(resid  15 and name ha) 2.0 0.2 3.0
assign  (resid  43 and name hn)(resid  15 and name hd2#) 2.0 0.2 4.0      !!
assign  (resid  43 and name hn)(resid  72 and name ha) 2.0 0.2 3.0
assign  (resid  43 and name hn)(resid  72 and name hb1) 2.0 0.2 2.5
assign  (resid  43 and name hn)(resid  72 and name hb2) 2.0 0.2 2.0
assign  (resid  43 and name hn)(resid  73 and name hn) 2.0 0.2 1.5
assign  (resid  43 and name hn)(resid  73 and name ha) 2.0 0.2 3.0 !!
assign  (resid  43 and name hn)(resid  73 and name hb1) 2.0 0.2 3.0  
assign  (resid  43 and name hn)(resid  73 and name hb2) 2.0 0.2 2.0 
assign  (resid  43 and name hn)(resid  73 and name hd1) 2.0 0.2 3.0
assign  (resid  43 and name hn)(resid  73 and name he1) 2.0 0.2 4.0
assign  (resid  43 and name hn)(resid  74 and name ha) 2.0 0.2 2.0
assign  (resid  43 and name hn)(resid  74 and name hg#) 2.0 0.2 4.0 

!Asp44 :
!! intraresidue
assign  (resid  44 and name hn)(resid  44 and name hb1) 2.0 0.2 1.5
assign  (resid  44 and name hn)(resid  44 and name hb2) 2.0 0.2 2.5
!! sequential
assign  (resid  44 and name hn)(resid  43 and name hn) 2.0 0.2 3.0
assign  (resid  44 and name hn)(resid  43 and name ha) 2.0 0.2 0.7
assign  (resid  44 and name hn)(resid  43 and name hb#) 2.0 0.2 2.2
assign  (resid  44 and name hn)(resid  45 and name ha) 2.0 0.2 3.0

assign  (resid  44 and name hn)(resid  45 and name hb1) 2.0 0.2 1.5
assign  (resid  44 and name hn)(resid  45 and name hb2) 2.0 0.2 2.7
!! medium range
assign  (resid  44 and name hn)(resid  48 and name hg2#) 2.0 0.2 4.0
!! long range
assign  (resid  44 and name hn)(resid  14 and name hb#) 2.0 0.2 4.5
assign (resid  44 and name hn)(resid  15 and name ha) 2.0 0.2 3.0
assign (resid  44 and name hn)(resid  15 and name hd1#) 2.0 0.2 4.5
assign (resid  44 and name hn)(resid  15 and name hd2#) 2.0 0.2 2.0
assign  (resid  44 and name hn)(resid  16 and name hn) 2.0 0.2 2.5
assign  (resid  44 and name hn)(resid  72 and name ha) 2.0 0.2 3.0

!Asp45 :
!! intraresidue
assign  (resid  45 and name hn)(resid  45 and name hb1) 2.0 0.2 1.5
assign  (resid  45 and name hn)(resid  45 and name hb2) 2.0 0.2 0.7
!! sequential
assign  (resid  45 and name hn)(resid  44 and name hn) 2.0 0.2 0.7
assign  (resid  45 and name hn)(resid  44 and name ha) 2.0 0.2 1.5
assign  (resid  45 and name hn)(resid  44 and name hb1) 2.0 0.2 3.0
assign  (resid  45 and name hn)(resid  44 and name hb2) 2.0 0.2 2.0
!! medium range
assign  (resid  45 and name hn)(resid  43 and name hb#) 2.0 0.2 2.5
assign  (resid  45 and name hn)(resid  48 and name hg1) 2.0 0.2 3.0
assign  (resid  45 and name hn)(resid  48 and name hg2#) 2.0 0.2 2.5
!! long range
assign  (resid  45 and name hn)(resid  16 and name hn) 2.0 0.2 3.0
assign  (resid  45 and name hn)(resid  18 and name ha) 2.0 0.2 3.0 !!
assign  (resid  45 and name hn)(resid  73 and name hd1) 2.0 0.2 2.5
assign  (resid  45 and name hn)(resid  73 and name he1) 2.0 0.2 3.0

!Pro46 :
!! intraresidue
!! sequential
!! medium range
!! long range

!Ala47 :
!! intraresidue
assign  (resid  47 and name hn)(resid  47 and name ha) 2.0 0.2 2.0
assign  (resid  47 and name hn)(resid  47 and name hb#) 2.0 0.2 2.2
!! sequential
assign  (resid  47 and name hn)(resid  46 and name ha) 2.0 0.2 3.0 
assign  (resid  47 and name hn)(resid  46 and name hb1) 2.0 0.2 3.0 
assign  (resid  47 and name hn)(resid  46 and name hb2) 2.0 0.2 1.5 
assign  (resid  47 and name hn)(resid  46 and name hg2) 2.0 0.2 1.5 
assign  (resid  47 and name hn)(resid  46 and name hd1) 2.0 0.2 1.5 
assign  (resid  47 and name hn)(resid  46 and name hd2) 2.0 0.2 2.5 
!! medium range
assign  (resid  47 and name hn)(resid  45 and name ha) 2.0 0.2 3.0
assign  (resid  47 and name hn)(resid  48 and name hg1) 2.0 0.2 3.0 
!assign  (resid  47 and name hn)(resid  51 and name ha) 2.0 0.2 2.5
!assign  (resid  47 and name hn)(resid  51 and name hb1) 2.0 0.2 3.0
!assign  (resid  47 and name hn)(resid  51 and name hb2) 2.0 0.2 3.0
!! long range
assign  (resid  47 and name hn)(resid  73 and name he1) 2.0 0.2 3.0 

!Thr48 :
!! intraresidue
assign  (resid  48 and name hn)(resid  48 and name ha) 2.0 0.2 2.0
assign  (resid  48 and name hn)(resid  48 and name hb) 2.0 0.2 3.0 
assign  (resid  48 and name hn)(resid  48 and name hg2#) 2.0 0.2 2.2 
assign  (resid  48 and name hn)(resid  48 and name hg1) 2.0 0.2 0.7 
!! sequential
assign  (resid  48 and name hn)(resid  47 and name hn) 2.0 0.2 0.7
assign  (resid  48 and name hn)(resid  47 and name ha) 2.0 0.2 1.5
assign  (resid  48 and name hn)(resid  47 and name hb#) 2.0 0.2 2.2 
!! medium range
!assign  (resid  48 and name hn)(resid  42 and name hg2#) 2.0 0.2 4.5
!assign  (resid  48 and name hn)(resid  42 and name hd1#) 2.0 0.2 4.5
!assign  (resid  48 and name hn)(resid  43 and name hn) 2.0 0.2 3.0 !!
assign  (resid  48 and name hn)(resid  45 and name ha) 2.0 0.2 3.0
assign  (resid  48 and name hn)(resid  45 and name hb1) 2.0 0.2 3.0 !! 
assign  (resid  48 and name hn)(resid  45 and name hb1) 2.0 0.2 3.0 !!
assign  (resid  48 and name hn)(resid  46 and name ha) 2.0 0.2 2.5
!! long range
assign  (resid  48 and name hn)(resid  73 and name hd1) 2.0 0.2 3.0
assign  (resid  48 and name hn)(resid  73 and name he1) 2.0 0.2 3.0

!Thr49 :
!! intraresidue
assign  (resid  49 and name hn)(resid  49 and name ha) 2.0 0.2 2.0
assign  (resid  49 and name hn)(resid  49 and name hb) 2.0 0.2 3.0 
assign  (resid  49 and name hn)(resid  49 and name hg2#) 2.0 0.2 2.2      
!! sequential
assign  (resid  49 and name hn)(resid  48 and name hn) 2.0 0.2 0.7
assign  (resid  49 and name hn)(resid  48 and name ha) 2.0 0.2 2.0
assign  (resid  49 and name hn)(resid  48 and name hb) 2.0 0.2 1.5 
assign  (resid  49 and name hn)(resid  48 and name hg2#) 2.0 0.2 4.0 
assign  (resid  49 and name hn)(resid  48 and name hg1) 2.0 0.2 1.5 
!! medium range
assign  (resid  49 and name hn)(resid  47 and name ha) 2.0 0.2 3.0 
assign  (resid  49 and name hn)(resid  47 and name hb#) 2.0 0.2 4.5 
assign  (resid  49 and name hn)(resid  46 and name ha) 2.0 0.2 2.5
!! long range
!assign  (resid  49 and name hn)(resid  73 and name hd1) 2.0 0.2 2.5
!assign  (resid  49 and name hn)(resid  73 and name he1) 2.0 0.2 3.0

!Arg50 :
!! intraresidue
assign  (resid  50 and name hn)(resid  50 and name ha) 2.0 0.2 2.0
assign  (resid  50 and name hn)(resid  50 and name hb1) 2.0 0.2 3.0 
assign  (resid  50 and name hn)(resid  50 and name hb2) 2.0 0.2 0.7
assign  (resid  50 and name hn)(resid  50 and name hg1) 2.0 0.2 1.5 
assign  (resid  50 and name hn)(resid  50 and name hg2) 2.0 0.2 3.0
!! sequential
assign  (resid  50 and name hn)(resid  49 and name hn) 2.0 0.2 0.7
assign  (resid  50 and name hn)(resid  49 and name ha) 2.0 0.2 2.0 
assign  (resid  50 and name hn)(resid  49 and name hg2#) 2.0 0.2 4.0 
!assign  (resid  50 and name hn)(resid  51 and name ha) 2.0 0.2 3.0 
!assign  (resid  50 and name hn)(resid  51 and name hb1) 2.0 0.2 3.0 
!assign  (resid  50 and name hn)(resid  51 and name hb2) 2.0 0.2 3.0 
!! medium range
assign  (resid  50 and name hn)(resid  47 and name ha) 2.0 0.2 1.5
assign  (resid  50 and name hn)(resid  47 and name hb#) 2.0 0.2 4.0 
assign  (resid  50 and name hn)(resid  48 and name ha) 2.0 0.2 2.5
!! long range
assign  (resid  50 and name hn)(resid  73 and name he1) 2.0 0.2 4.0

!Asp51 : g-
!! intraresidue
assign  (resid  51 and name hn)(resid  51 and name ha) 2.0 0.2 2.0
assign  (resid  51 and name hn)(resid  51 and name hb1) 2.0 0.2 2.5 
assign  (resid  51 and name hn)(resid  51 and name hb2) 2.0 0.2 0.7     
!! sequential
assign  (resid  51 and name hn)(resid  50 and name hn) 2.0 0.2 0.7
assign  (resid  51 and name hn)(resid  50 and name ha) 2.0 0.2 2.0
assign  (resid  51 and name hn)(resid  50 and name hb1) 2.0 0.2 1.5
assign  (resid  51 and name hn)(resid  50 and name hb2) 2.0 0.2 0.7
assign  (resid  51 and name hn)(resid  50 and name hg1) 2.0 0.2 3.0
!! medium range
assign  (resid  51 and name hn)(resid  49 and name hn) 2.0 0.2 2.5
assign  (resid  51 and name hn)(resid  48 and name ha) 2.0 0.2 1.5 
assign  (resid  51 and name hn)(resid  47 and name ha) 2.0 0.2 3.0
assign  (resid  51 and name hn)(resid  53 and name hd1) 2.0 0.2 3.0
assign  (resid  51 and name hn)(resid  53 and name hd2) 2.0 0.2 2.5
!! long range

!Ile52 :
!! intraresidue
assign  (resid  52 and name hn)(resid  52 and name ha) 2.0 0.2 2.0
assign  (resid  52 and name hn)(resid  52 and name hb) 2.0 0.2 0.7
assign  (resid  52 and name hn)(resid  52 and name hg1#) 2.0 0.2 2.5
assign  (resid  52 and name hn)(resid  52 and name hg2#) 2.0 0.2 3.0
assign  (resid  52 and name hn)(resid  52 and name hd1#) 2.0 0.2 3.5
!! sequential
assign  (resid  52 and name hn)(resid  51 and name hn) 2.0 0.2 1.0
assign  (resid  52 and name hn)(resid  51 and name ha) 2.0 0.2 2.5
assign  (resid  52 and name hn)(resid  51 and name hb1) 2.0 0.2 3.0 
assign  (resid  52 and name hn)(resid  51 and name hb2) 2.0 0.2 1.2     
assign  (resid  52 and name hn)(resid  53 and name hg1) 2.0 0.2 3.0 
assign  (resid  52 and name hn)(resid  53 and name hg2) 2.0 0.2 3.0    
assign  (resid  52 and name hn)(resid  53 and name hd1) 2.0 0.2 1.0
assign  (resid  52 and name hn)(resid  53 and name hd2) 2.0 0.2 0.7    
!! medium range
assign  (resid  52 and name hn)(resid  50 and name hn) 2.0 0.2 2.5
assign  (resid  52 and name hn)(resid  50 and name ha) 2.0 0.2 3.0 
!assign  (resid  52 and name hn)(resid  49 and name hb) 2.0 0.2 3.0
assign  (resid  52 and name hn)(resid  48 and name ha) 2.0 0.2 1.2
assign  (resid  52 and name hn)(resid  48 and name hb) 2.0 0.2 2.0
!! long range
assign  (resid  52 and name hn)(resid  75 and name he2) 2.0 0.2 4.0 !!

!Pro53 :
!! intraresidue
!! sequential
!! medium range
!! long range

!Gly54 :
!! intraresidue
assign  (resid  54 and name hn)(resid  54 and name ha1) 2.0 0.2 0.7
assign  (resid  54 and name hn)(resid  54 and name ha2) 2.0 0.2 1.5
!! sequential
assign  (resid  54 and name hn)(resid  53 and name ha) 2.0 0.2 2.0
assign  (resid  54 and name hn)(resid  53 and name hb1) 2.0 0.2 2.5     
assign  (resid  54 and name hn)(resid  53 and name hb2) 2.0 0.2 0.7     
assign  (resid  54 and name hn)(resid  53 and name hg1) 2.0 0.2 3.0     
assign  (resid  54 and name hn)(resid  53 and name hg2) 2.0 0.2 1.2     
assign  (resid  54 and name hn)(resid  53 and name hd1) 2.0 0.2 2.5     
assign  (resid  54 and name hn)(resid  53 and name hd2) 2.0 0.2 1.2     
!! medium range
assign  (resid  54 and name hn)(resid  52 and name hn) 2.0 0.2 3.0
assign  (resid  54 and name hn)(resid  52 and name ha) 2.0 0.2 3.0 
assign  (resid  54 and name hn)(resid  51 and name ha) 2.0 0.2 1.5
assign  (resid  54 and name hn)(resid  50 and name ha) 2.0 0.2 3.0
!! long range

!Phe55 :
!! intraresidue
assign  (resid  55 and name hn)(resid  55 and name ha) 2.0 0.2 2.0
assign  (resid  55 and name hn)(resid  55 and name hb1) 2.0 0.2 0.7
assign  (resid  55 and name hn)(resid  55 and name hb2) 2.0 0.2 1.5
assign  (resid  55 and name hn)(resid  55 and name hd1) 2.0 0.2 3.0
assign  (resid  55 and name hn)(resid  55 and name hd2) 2.0 0.2 3.0
!! sequential
assign  (resid  55 and name hn)(resid  54 and name hn) 2.0 0.2 0.7 
assign  (resid  55 and name hn)(resid  54 and name ha1) 2.0 0.2 1.0
assign  (resid  55 and name hn)(resid  54 and name ha2) 2.0 0.2 1.5
!! medium range
assign  (resid  55 and name hn)(resid  52 and name ha) 2.0 0.2 1.5
!assign  (resid  55 and name hn)(resid  52 and name hg2#) 2.0 0.2 4.5
!assign  (resid  55 and name hn)(resid  52 and name hd1#) 2.0 0.2 4.5
assign  (resid  55 and name hn)(resid  51 and name ha) 2.0 0.2 2.5
!! long range

!Cys56 :
!! intraresidue
assign  (resid  56 and name hn)(resid  56 and name ha) 2.0 0.2 2.0
assign  (resid  56 and name hn)(resid  56 and name hb1) 2.0 0.2 2.5
assign  (resid  56 and name hn)(resid  56 and name hb2) 2.0 0.2 0.7
!! sequential
assign (resid  56 and name hn)(resid  55 and name hn) 2.0 0.2 0.7
assign  (resid  56 and name hn)(resid  55 and name ha) 2.0 0.2 2.0
assign  (resid  56 and name hn)(resid  55 and name hb1) 2.0 0.2 0.7
assign  (resid  56 and name hn)(resid  55 and name hb2) 2.0 0.2 2.0
assign  (resid  56 and name hn)(resid  55 and name he2) 2.0 0.2 3.0
!! medium range
assign  (resid  56 and name hn)(resid  53 and name ha) 2.0 0.2 1.5
assign  (resid  56 and name hn)(resid  53 and name hb1) 2.0 0.2 3.0
assign  (resid  56 and name hn)(resid  52 and name ha) 2.0 0.2 2.5
assign  (resid  56 and name hn)(resid  52 and name hg2#) 2.0 0.2 4.5
assign  (resid  56 and name hn)(resid  58 and name hn) 2.0 0.2 3.0
!! long range
assign  (resid  56 and name hn)(resid  26 and name hg2#) 2.0 0.2 4.0

!Thr57 :
!! intraresidue
assign  (resid  57 and name hn)(resid  57 and name ha) 2.0 0.2 2.0
assign  (resid  57 and name hn)(resid  57 and name hb) 2.0 0.2 0.7
assign  (resid  57 and name hn)(resid  57 and name hg2#) 2.0 0.2 3.5
!! sequential
assign  (resid  57 and name hn)(resid  56 and name hn) 2.0 0.2 0.7
assign  (resid  57 and name hn)(resid  56 and name ha) 2.0 0.2 2.0
assign  (resid  57 and name hn)(resid  56 and name hb1) 2.0 0.2 1.5
assign  (resid  57 and name hn)(resid  56 and name hb2) 2.0 0.2 0.7
!! medium range
assign  (resid  57 and name hn)(resid  53 and name ha) 2.0 0.2 3.0
assign  (resid  57 and name hn)(resid  54 and name ha2) 2.0 0.2 1.5
!! long range
!assign  (resid  57 and name hn)(resid  74 and name hn) 2.0 0.2 3.0 

!Phe58 :
!! intraresidue
assign  (resid  58 and name hn)(resid  58 and name ha) 2.0 0.2 2.0
assign  (resid  58 and name hn)(resid  58 and name hb1) 2.0 0.2 1.5
assign  (resid  58 and name hn)(resid  58 and name hb2) 2.0 0.2 0.7
assign  (resid  58 and name hn)(resid  58 and name hd1) 2.0 0.2 2.5
assign  (resid  58 and name hn)(resid  58 and name hd2) 2.0 0.2 3.0

!! sequential
assign  (resid  58 and name hn)(resid  57 and name hn) 2.0 0.2 0.7 
assign  (resid  58 and name hn)(resid  57 and name ha) 2.0 0.2 2.0
assign  (resid  58 and name hn)(resid  57 and name hb) 2.0 0.2 0.7
assign  (resid  58 and name hn)(resid  57 and name hg2#) 2.0 0.2 2.5
!! medium range
assign  (resid  58 and name hn)(resid  55 and name ha) 2.0 0.2 1.5
assign  (resid  58 and name hn)(resid  54 and name ha2) 2.0 0.2 2.5
!! long range

!Met59 :
!! intraresidue
assign  (resid  59 and name hn)(resid  59 and name ha) 2.0 0.2 2.0
assign  (resid  59 and name hn)(resid  59 and name hb1) 2.0 0.2 2.0
assign  (resid  59 and name hn)(resid  59 and name hb2) 2.0 0.2 0.7
!! sequential
assign  (resid  59 and name hn)(resid  58 and name hn) 2.0 0.2 0.7
assign  (resid  59 and name hn)(resid  58 and name ha) 2.0 0.2 2.0
assign  (resid  59 and name hn)(resid  58 and name hb1) 2.0 0.2 1.2
assign  (resid  59 and name hn)(resid  58 and name hb2) 2.0 0.2 2.0
assign  (resid  59 and name hn)(resid  58 and name hd2) 2.0 0.2 3.0 
!! medium range
assign  (resid  59 and name hn)(resid  55 and name ha) 2.0 0.2 2.5 
assign  (resid  59 and name hn)(resid  56 and name ha) 2.0 0.2 1.5 
assign  (resid  59 and name hn)(resid  57 and name hn) 2.0 0.2 2.5 
assign  (resid  59 and name hn)(resid  61 and name hd2) 2.0 0.2 3.0 !!
!! long range

!Glu60 :
!! intraresidue
assign  (resid  60 and name hn)(resid  60 and name ha) 2.0 0.2 0.7
!! sequential
assign  (resid  60 and name hn)(resid  59 and name hn) 2.0 0.2 0.7
assign  (resid  60 and name hn)(resid  59 and name hb1) 2.0 0.2 3.0
assign  (resid  60 and name hn)(resid  59 and name hb2) 2.0 0.2 2.5
!! medium range
assign  (resid  60 and name hn)(resid  56 and name ha) 2.0 0.2 3.0
assign  (resid  60 and name hn)(resid  58 and name hn) 2.0 0.2 3.0
assign  (resid  60 and name hn)(resid  58 and name hd2) 2.0 0.2 3.0 
!! long range

!His61 :
!! intraresidue
assign  (resid  61 and name hn)(resid  61 and name ha) 2.0 0.2 2.0
assign  (resid  61 and name hn)(resid  61 and name hb1) 2.0 0.2 1.5
assign  (resid  61 and name hn)(resid  61 and name hb2) 2.0 0.2 0.7
assign  (resid  61 and name hn)(resid  61 and name he1) 2.0 0.2 2.5 !!
assign  (resid  61 and name hn)(resid  61 and name hd2) 2.0 0.2 2.5     !!
!! sequential
assign  (resid  61 and name hn)(resid  60 and name hn) 2.0 0.2 0.7
assign  (resid  61 and name hn)(resid  60 and name ha) 2.0 0.2 1.2
assign  (resid  61 and name hn)(resid  60 and name hb#) 2.0 0.2 4.5
!! medium range
assign  (resid  61 and name hn)(resid  56 and name ha) 2.0 0.2 2.0 
assign  (resid  61 and name hn)(resid  56 and name hb1) 2.0 0.2 3.0
assign  (resid  61 and name hn)(resid  57 and name ha) 2.0 0.2 3.0     
assign  (resid  61 and name hn)(resid  57 and name hg2#) 2.0 0.2 4.0
assign  (resid  61 and name hn)(resid  59 and name hn) 2.0 0.2 2.5
assign  (resid  61 and name hn)(resid  59 and name ha) 2.0 0.2 3.0 
assign  (resid  61 and name hn)(resid  59 and name hb1) 2.0 0.2 3.0
assign  (resid  61 and name hn)(resid  59 and name hg#) 2.0 0.2 4.5
!! long range

!Glu62 :
!! intraresidue
assign  (resid  62 and name hn)(resid  62 and name ha) 2.0 0.2 2.0
assign  (resid  62 and name hn)(resid  62 and name hb1) 2.0 0.2 2.5
assign  (resid  62 and name hn)(resid  62 and name hb2) 2.0 0.2 0.7
!! sequential
assign  (resid  62 and name hn)(resid  61 and name hn) 2.0 0.2 2.5
assign  (resid  62 and name hn)(resid  61 and name ha) 2.0 0.2 0.7
assign  (resid  62 and name hn)(resid  61 and name hb1) 2.0 0.2 1.0
assign  (resid  62 and name hn)(resid  61 and name hb2) 2.0 0.2 1.5
!! medium range
!! long range
assign  (resid  62 and name hn)(resid  77 and name hg2#) 2.0 0.2 4.0 
assign  (resid  62 and name hn)(resid  78 and name hn) 2.0 0.2 1.5 
assign  (resid  62 and name hn)(resid  79 and name ha) 2.0 0.2 3.0 
assign  (resid  62 and name hn)(resid  79 and name hb#) 2.0 0.2 4.0

!Leu63 :
!! intraresidue
assign  (resid  63 and name hn)(resid  63 and name ha) 2.0 0.2 2.0
assign  (resid  63 and name hn)(resid  63 and name hb1) 2.0 0.2 0.7
assign  (resid  63 and name hn)(resid  63 and name hb2) 2.0 0.2 1.5
assign  (resid  63 and name hn)(resid  63 and name hg) 2.0 0.2 2.5
assign  (resid  63 and name hn)(resid  63 and name hd2#) 2.0 0.2 3.5
!! sequential
assign  (resid  63 and name hn)(resid  62 and name hn) 2.0 0.2 2.5
assign  (resid  63 and name hn)(resid  62 and name ha) 2.0 0.2 0.7
assign  (resid  63 and name hn)(resid  62 and name hb1) 2.0 0.2 2.0
assign  (resid  63 and name hn)(resid  62 and name hb2) 2.0 0.2 2.0
!! medium range
!! long range

!Val64 :
!! intraresidue
assign  (resid  64 and name hn)(resid  64 and name ha) 2.0 0.2 2.5
assign  (resid  64 and name hn)(resid  64 and name hb) 2.0 0.2 0.7
assign  (resid  64 and name hn)(resid  64 and name hg1#) 2.0 0.2 2.5 
assign  (resid  64 and name hn)(resid  64 and name hg2#) 2.0 0.2 2.5 
!! sequential
assign  (resid  64 and name hn)(resid  63 and name ha) 2.0 0.2 0.7
!assign  (resid  64 and name hn)(resid  63 and name hb1) 2.0 0.2 3.0
assign  (resid  64 and name hn)(resid  63 and name hg) 2.0 0.2 2.5
!assign  (resid  64 and name hn)(resid  63 and name hd2#) 2.0 0.2 3.0
assign  (resid  64 and name hn)(resid  63 and name hd1#) 2.0 0.2 2.5
!! medium range
!! long range
assign  (resid  64 and name hn)(resid  77 and name ha) 2.0 0.2 1.0 
assign  (resid  64 and name hn)(resid  78 and name hn) 2.0 0.2 3.0 
assign  (resid  64 and name hn)(resid  76 and name hd2#) 2.0 0.2 2.2 

!Ala65 :
!! intraresidue
assign  (resid  65 and name hn)(resid  65 and name ha) 2.0 0.2 2.5
assign  (resid  65 and name hn)(resid  65 and name hb#) 2.0 0.2 2.5
!! sequential
assign  (resid  65 and name hn)(resid  64 and name hn) 2.0 0.2 0.7
assign  (resid  65 and name hn)(resid  64 and name ha) 2.0 0.2 2.0 
assign  (resid  65 and name hn)(resid  64 and name hb) 2.0 0.2 1.0 
!! medium range
!assign  (resid  65 and name hn)(resid  63 and name ha) 2.0 0.2 1.5 
!! long range
assign  (resid  65 and name hn)(resid  5 and name hd#) 2.0 0.2 5.0
assign  (resid  65 and name hn)(resid  5 and name he#) 2.0 0.2 5.0
assign  (resid  65 and name hn)(resid  76 and name hn) 2.0 0.2 1.0
!assign  (resid  65 and name hn)(resid  76 and name ha) 2.0 0.2 3.0
assign  (resid  65 and name hn)(resid  76 and name hb1) 2.0 0.2 1.0
assign  (resid  65 and name hn)(resid  76 and name hb2) 2.0 0.2 1.0
assign  (resid  65 and name hn)(resid  76 and name hd2#) 2.0 0.2 2.5
assign  (resid  65 and name hn)(resid  77 and name ha) 2.0 0.2 2.5
assign  (resid  65 and name hn)(resid  75 and name ha) 2.0 0.2 3.0

!Lys66 :
!! intraresidue
assign  (resid  66 and name hn)(resid  66 and name ha) 2.0 0.2 2.5
assign  (resid  66 and name hn)(resid  66 and name hb1) 2.0 0.2 2.5 
assign  (resid  66 and name hn)(resid  66 and name hb2) 2.0 0.2 0.7  
assign  (resid  66 and name hn)(resid  66 and name hg1) 2.0 0.2 3.0  
assign  (resid  66 and name hn)(resid  66 and name hg2) 2.0 0.2 1.2  
!! sequential
assign  (resid  66 and name hn)(resid  65 and name hn) 2.0 0.2 3.0
assign  (resid  66 and name hn)(resid  65 and name ha) 2.0 0.2 0.7
!! medium range
!assign  (resid  66 and name hn)(resid  74 and name ha) 2.0 0.2 1.5 
!assign  (resid  66 and name hn)(resid  75 and name ha) 2.0 0.2 2.5 
!! long range
assign  (resid  66 and name hn)(resid  5 and name he#) 2.0 0.2 5.0 !!
assign  (resid  66 and name hn)(resid  5 and name hz) 2.0 0.2 2.5      !!

!Glu67 :
!! intraresidue
assign  (resid  67 and name hn)(resid  67 and name ha) 2.0 0.2 2.5
assign  (resid  67 and name hn)(resid  67 and name hb1) 2.0 0.2 1.5  
assign  (resid  67 and name hn)(resid  67 and name hb2) 2.0 0.2 0.7  
assign  (resid  67 and name hn)(resid  67 and name hg#) 2.0 0.2 3.0 
!! sequential
assign  (resid  67 and name hn)(resid  66 and name ha) 2.0 0.2 0.7
assign  (resid  67 and name hn)(resid  66 and name hb1) 2.0 0.2 0.7
assign  (resid  67 and name hn)(resid  66 and name hg1) 2.0 0.2 2.5
assign  (resid  67 and name hn)(resid  66 and name hg2) 2.0 0.2 2.5
!assign  (resid  67 and name hn)(resid  68 and name ha) 2.0 0.2 3.0 !!
!! medium range
!! long range
assign  (resid  67 and name hn)(resid  73 and name ha) 2.0 0.2 3.0 !!
assign  (resid  67 and name hn)(resid  75 and name ha) 2.0 0.2 1.5
assign  (resid  67 and name hn)(resid  75 and name hd1) 2.0 0.2 2.0
assign  (resid  67 and name hn)(resid  74 and name hn) 2.0 0.2 0.7
assign  (resid  67 and name hn)(resid  5 and name he#) 2.0 0.2 5.0      !!
assign  (resid  67 and name hn)(resid  5 and name hz) 2.0 0.2 1.5      !!

!Thr68 :
!! intraresidue
assign  (resid  68 and name hn)(resid  68 and name ha) 2.0 0.2 2.5
!! sequential
assign  (resid  68 and name hn)(resid  67 and name hn) 2.0 0.2 2.5 !!
assign  (resid  68 and name hn)(resid  67 and name ha) 2.0 0.2 0.7
assign  (resid  68 and name hn)(resid  67 and name hb1) 2.0 0.2 2.5
assign  (resid  68 and name hn)(resid  67 and name hb2) 2.0 0.2 3.0
assign  (resid  68 and name hn)(resid  67 and name hg#) 2.0 0.2 4.5 
!! medium range
!! long range

!Asp69 :
!! intraresidue
assign  (resid  69 and name hn)(resid  69 and name ha) 2.0 0.2 2.0
assign  (resid  69 and name hn)(resid  69 and name hb1) 2.0 0.2 2.5
assign  (resid  69 and name hn)(resid  69 and name hb2) 2.0 0.2 0.7
!! sequential
assign  (resid  69 and name hn)(resid  68 and name hn) 2.0 0.2 0.7
assign  (resid  69 and name hn)(resid  68 and name hb) 2.0 0.2 3.0 
assign  (resid  69 and name hn)(resid  68 and name hg2#) 2.0 0.2 4.0 
!! medium range
assign  (resid  69 and name hn)(resid  67 and name ha) 2.0 0.2 3.0
assign  (resid  69 and name hn)(resid  67 and name hb1) 2.0 0.2 3.0 
assign  (resid  69 and name hn)(resid  67 and name hb2) 2.0 0.2 3.0 
!! long range
assign  (resid  69 and name hn)(resid  73 and name hd2) 2.0 0.2 3.0 

!Gly70 :
!! intraresidue
assign  (resid  70 and name hn)(resid  70 and name ha1) 2.0 0.2 0.7
assign  (resid  70 and name hn)(resid  70 and name ha2) 2.0 0.2 1.7
!! sequential
assign  (resid  70 and name hn)(resid  69 and name hn) 2.0 0.2 0.7
assign  (resid  70 and name hn)(resid  69 and name ha) 2.0 0.2 1.0
assign  (resid  70 and name hn)(resid  69 and name hb1) 2.0 0.2 2.5
assign  (resid  70 and name hn)(resid  69 and name hb2) 2.0 0.2 1.5
!! medium range
assign  (resid  70 and name hn)(resid  68 and name hn) 2.0 0.2 3.0
assign  (resid  70 and name hn)(resid  68 and name ha) 2.0 0.2 2.5
assign  (resid  70 and name hn)(resid  68 and name hb) 2.0 0.2 3.0
assign  (resid  70 and name hn)(resid  68 and name hg2#) 2.0 0.2 4.5
!! long range
assign  (resid  70 and name hn)(resid  73 and name hd2) 2.0 0.2 2.5 
assign  (resid  70 and name hn)(resid  73 and name he2) 2.0 0.2 3.0 

!Leu71 :
!! intraresidue
assign  (resid  71 and name hn)(resid  71 and name hb1) 2.0 0.2 2.5
assign  (resid  71 and name hn)(resid  71 and name hb2) 2.0 0.2 0.7
assign  (resid  71 and name hn)(resid  71 and name hg) 2.0 0.2 1.5
!! sequential
assign  (resid  71 and name hn)(resid  70 and name hn) 2.0 0.2 1.5
assign  (resid  71 and name hn)(resid  70 and name ha1) 2.0 0.2 0.7
assign  (resid  71 and name hn)(resid  70 and name ha2) 2.0 0.2 2.0
!! medium range
!assign  (resid  71 and name hn)(resid  69 and name ha) 2.0 0.2 1.0
!! long range
assign  (resid  71 and name hn)(resid  73 and name hd2) 2.0 0.2 3.0 
assign  (resid  71 and name hn)(resid  73 and name he2) 2.0 0.2 2.0 

!Pro72 :
!! intraresidue
!! sequential
!! medium range
!! long range

!Tyr73 :
!! intraresidue
assign  (resid  73 and name hn)(resid  73 and name ha) 2.0 0.2 2.5
assign  (resid  73 and name hn)(resid  73 and name hb1) 2.0 0.2 2.5
assign  (resid  73 and name hn)(resid  73 and name hb2) 2.0 0.2 0.7
!! sequential
assign  (resid  73 and name hn)(resid  72 and name ha) 2.0 0.2 0.7
assign  (resid  73 and name hn)(resid  72 and name hb1) 2.0 0.2 2.0
assign  (resid  73 and name hn)(resid  72 and name hb2) 2.0 0.2 1.0
assign  (resid  73 and name hn)(resid  72 and name hg2) 2.0 0.2 2.5
!! medium range
assign  (resid  73 and name hn)(resid  71 and name hn) 2.0 0.2 3.0
assign  (resid  73 and name hn)(resid  71 and name hb#) 2.0 0.2 4.5
assign  (resid  73 and name hn)(resid  71 and name hg) 2.0 0.2 3.0
!! long range
assign  (resid  73 and name hn)(resid  15 and name hd2#) 2.0 0.2 4.5
assign  (resid  73 and name hn)(resid  42 and name hg2#) 2.0 0.2 4.0
assign  (resid  73 and name hn)(resid  43 and name hn) 2.0 0.2 1.5
assign  (resid  73 and name hn)(resid  44 and name ha) 2.0 0.2 1.5

!Arg74 :
!! intraresidue
assign  (resid  74 and name hn)(resid  74 and name ha) 2.0 0.2 2.5
assign  (resid  74 and name hn)(resid  74 and name hb1) 2.0 0.2 2.5 
assign  (resid  74 and name hn)(resid  74 and name hb2) 2.0 0.2 0.7 
assign  (resid  74 and name hn)(resid  74 and name hg1) 2.0 0.2 2.0 
assign  (resid  74 and name hn)(resid  74 and name hg2) 2.0 0.2 2.5 
!! sequential
assign  (resid  74 and name hn)(resid  73 and name hn) 2.0 0.2 3.0 !!
assign  (resid  74 and name hn)(resid  73 and name ha) 2.0 0.2 0.7
assign  (resid  74 and name hn)(resid  73 and name hb1) 2.0 0.2 1.0
assign  (resid  74 and name hn)(resid  73 and name hb2) 2.0 0.2 2.0
assign  (resid  74 and name hn)(resid  73 and name hd2) 2.0 0.2 2.5
!assign  (resid  74 and name hn)(resid  73 and name he#) 2.0 0.2 5.0
!! medium range
assign  (resid  74 and name hn)(resid  75 and name ha) 2.0 0.2 3.0
assign  (resid  74 and name hn)(resid  75 and name hd1) 2.0 0.2 3.0
assign  (resid  74 and name hn)(resid  75 and name he1) 2.0 0.2 3.0
!! long range
assign  (resid  74 and name hn)(resid  66 and name ha) 2.0 0.2 3.0 
assign  (resid  74 and name hn)(resid  67 and name hn) 2.0 0.2 1.0
assign  (resid  74 and name hn)(resid  67 and name hb1) 2.0 0.2 1.5 
assign  (resid  74 and name hn)(resid  67 and name hb2) 2.0 0.2 0.7
assign  (resid  74 and name hn)(resid  67 and name hg#) 2.0 0.2 4.5 
assign  (resid  74 and name hn)(resid  68 and name hn) 2.0 0.2 3.0
assign  (resid  74 and name hn)(resid  68 and name hg2#) 2.0 0.2 3.0
!!!
!assign  (resid  74 and name ha)(resid  49 and name ha) 2.0 0.2 1.7

!Tyr75 :
!! intraresidue
assign  (resid  75 and name hn)(resid  75 and name ha) 2.0 0.2 2.5
assign  (resid  75 and name hn)(resid  75 and name hb1) 2.0 0.2 2.5
assign  (resid  75 and name hn)(resid  75 and name hb2) 2.0 0.2 1.5
assign  (resid  75 and name hn)(resid  75 and name hd1) 2.0 0.2 3.0 
assign  (resid  75 and name hn)(resid  75 and name hd2) 2.0 0.2 1.5
assign  (resid  75 and name hn)(resid  75 and name he2) 2.0 0.2 3.0 
!! sequential
assign  (resid  75 and name hn)(resid  74 and name hn) 2.0 0.2 3.0
assign  (resid  75 and name hn)(resid  74 and name ha) 2.0 0.2 0.7
assign  (resid  75 and name hn)(resid  74 and name hb1) 2.0 0.2 0.7
assign  (resid  75 and name hn)(resid  74 and name hb2) 2.0 0.2 2.5
assign  (resid  75 and name hn)(resid  74 and name hg1) 2.0 0.2 2.0 
assign  (resid  75 and name hn)(resid  74 and name hg2) 2.0 0.2 2.5 
!! medium range
!! long range
assign  (resid  75 and name hn)(resid  40 and name ha) 2.0 0.2 3.0 
assign  (resid  75 and name hn)(resid  41 and name hn) 2.0 0.2 1.5
assign  (resid  75 and name hn)(resid  41 and name hb) 2.0 0.2 2.0
!assign  (resid  75 and name hn)(resid  52 and name hg1#) 2.0 0.2 2.5 
!assign  (resid  75 and name hn)(resid  52 and name hg2#) 2.0 0.2 4.5 
assign  (resid  75 and name hn)(resid   5 and name he2) 2.0 0.2 3.0
assign  (resid  75 and name hn)(resid   5 and name hz) 2.0 0.2 3.0

!Leu76 :
!! intraresidue
assign  (resid  76 and name hn)(resid  76 and name ha) 2.0 0.2 2.5
assign  (resid  76 and name hn)(resid  76 and name hb1) 2.0 0.2 0.7 
assign  (resid  76 and name hn)(resid  76 and name hb2) 2.0 0.2 1.5 
assign  (resid  76 and name hn)(resid  76 and name hg) 2.0 0.2 3.0 
assign  (resid  76 and name hn)(resid  76 and name hd1#) 2.0 0.2 4.5
assign  (resid  76 and name hn)(resid  76 and name hd2#) 2.0 0.2 3.0
!! sequential
assign  (resid  76 and name hn)(resid  75 and name hn) 2.0 0.2 2.5
assign  (resid  76 and name hn)(resid  75 and name ha) 2.0 0.2 0.7
assign  (resid  76 and name hn)(resid  75 and name hb1) 2.0 0.2 1.5
assign  (resid  76 and name hn)(resid  75 and name hb2) 2.0 0.2 3.0
assign  (resid  76 and name hn)(resid  75 and name hd1) 2.0 0.2 3.0 
!! medium range
!! long range
!assign  (resid  76 and name hn)(resid  57 and name hg2#) 2.0 0.2 4.5 
assign  (resid  76 and name hn)(resid  65 and name hn) 2.0 0.2 1.0
assign  (resid  76 and name hn)(resid  66 and name ha) 2.0 0.2 3.0
!!!
assign  (resid  76 and name ha)(resid  40 and name ha) 2.0 0.2 0.7
assign  (resid  76 and name ha)(resid   5 and name hd2) 2.0 0.2 3.0     !!
assign  (resid  76 and name ha)(resid   5 and name he1) 2.0 0.2 3.0 !!
assign  (resid  76 and name ha)(resid   5 and name he2) 2.0 0.2 1.5
assign  (resid  76 and name ha)(resid   5 and name hz) 2.0 0.2 2.0 !!

!Ile77 :
!! intraresidue
assign  (resid  77 and name hn)(resid  77 and name ha) 2.0 0.2 2.5
assign  (resid  77 and name hn)(resid  77 and name hb) 2.0 0.2 0.7
assign  (resid  77 and name hn)(resid  77 and name hg11) 2.0 0.2 1.2
assign  (resid  77 and name hn)(resid  77 and name hg12) 2.0 0.2 1.5
!! sequential
assign  (resid  77 and name hn)(resid  76 and name ha) 2.0 0.2 0.7
assign  (resid  77 and name hn)(resid  76 and name hb1) 2.0 0.2 3.0
assign  (resid  77 and name hn)(resid  76 and name hg) 2.0 0.2 2.0 
assign  (resid  77 and name hn)(resid  76 and name hd1#) 2.0 0.2 2.5
assign  (resid  77 and name hn)(resid  76 and name hd2#) 2.0 0.2 4.5
!! medium range
!! long range
assign  (resid  77 and name hn)(resid  38 and name ha) 2.0 0.2 3.0 !!
assign  (resid  77 and name hn)(resid  39 and name hn) 2.0 0.2 1.0
!assign  (resid  77 and name hn)(resid  39 and name ha) 2.0 0.2 3.0 !!
assign  (resid  77 and name hn)(resid  39 and name hb1) 2.0 0.2 2.5
assign  (resid  77 and name hn)(resid  40 and name ha) 2.0 0.2 2.0 

!Arg78 :
!! intraresidue
assign  (resid  78 and name hn)(resid  78 and name ha) 2.0 0.2 2.5
!! sequential
assign  (resid  78 and name hn)(resid  77 and name ha) 2.0 0.2 0.7
!! medium range
!! long range
assign  (resid  78 and name hn)(resid  62 and name hn) 2.0 0.2 1.8 !!
assign  (resid  78 and name hn)(resid  62 and name hb1) 2.0 0.2 1.5 
assign  (resid  78 and name hn)(resid  64 and name hn) 2.0 0.2 2.2 !!
assign  (resid  78 and name hn)(resid  64 and name hb) 2.0 0.2 1.2  
assign  (resid  78 and name hn)(resid  64 and name hg1#) 2.0 0.2 2.5 

!Lys79 :
!! intraresidue
assign  (resid  79 and name hn)(resid  79 and name ha) 2.0 0.2 2.5
!! sequential
assign  (resid  79 and name hn)(resid  78 and name hn) 2.0 0.2 3.0
assign  (resid  79 and name hn)(resid  78 and name ha) 2.0 0.2 0.7
!! medium range
!! long range
assign  (resid  79 and name hn)(resid  33 and name he#) 2.0 0.2 4.0
assign  (resid  79 and name hn)(resid  35 and name ha) 2.0 0.2 3.0
assign  (resid  79 and name hn)(resid  36 and name ha#) 2.0 0.2 4.5
assign  (resid  79 and name hn)(resid  39 and name hn) 2.0 0.2 3.0 !!
assign  (resid  79 and name hn)(resid  38 and name ha) 2.0 0.2 1.5
assign  (resid  79 and name hn)(resid  38 and name hg2#) 2.0 0.2 3.0
assign  (resid  79 and name hn)(resid  37 and name hn) 2.0 0.2 3.0
assign  (resid  79 and name hn)(resid  36 and name hn) 2.0 0.2 2.5

!Gly80 :
!! intraresidue
!! sequential
!! medium range
!! long range

!Gly81 :
!! intraresidue
!! sequential
assign  (resid  81 and name hn)(resid  80 and name ha1) 2.0 0.2 0.7
assign  (resid  81 and name hn)(resid  80 and name ha2) 2.0 0.2 0.7
!! medium range
!! long range
!assign  (resid  81 and name hn)(resid  33 and name he#) 2.0 0.2 5.0
!assign  (resid  81 and name hn)(resid  35 and name hb1) 2.0 0.2 3.0
!assign  (resid  81 and name hn)(resid  35 and name hg1) 2.0 0.2 3.0
!assign  (resid  81 and name hn)(resid  36 and name ha#) 2.0 0.2 4.5
assign  (resid  81 and name hn)(resid  61 and name ha) 2.0 0.2 3.0


!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!! NOE constraints involving Ha !!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!Met1   :
!! intraresidue
!! sequential
!! medium range
!! long range

!Thr2   :
!! intraresidue
!! sequential
!! medium range
!! long range

!Asp3   :
!! intraresidue
!! sequential
!! medium range
!! long range

!Leu4   :
!! intraresidue
assign  (resid   4 and name ha)(resid  4 and name hb1) 2.0 0.2 0.7
assign  (resid   4 and name ha)(resid  4 and name hb2) 2.0 0.2 1.5
assign  (resid   4 and name ha)(resid  4 and name hg) 2.0 0.2 2.0
assign  (resid   4 and name ha)(resid  4 and name hd1#) 2.0 0.2 4.0
assign  (resid   4 and name ha)(resid  4 and name hd2#) 2.0 0.2 2.5
!! medium range
!! long range

!Phe5   :
!! intraresidue
assign  (resid   5 and name ha)(resid  5 and name hb1) 2.0 0.2 0.7
assign  (resid   5 and name ha)(resid  5 and name hb2) 2.0 0.2 1.5
assign  (resid   5 and name ha)(resid  5 and name hd1) 2.0 0.2 2.5      !1.0->2.5 7/5
assign  (resid   5 and name ha)(resid  5 and name hd2) 2.0 0.2 2.5

!! sequential
!! medium range
!! long range
assign  (resid   5 and name ha)(resid 76 and name hd1#) 2.0 0.2 3.0
assign  (resid   5 and name ha)(resid 76 and name hd2#) 2.0 0.2 2.7


!Ser6   :
!! intraresidue
!! sequential
assign  (resid   6 and name ha)(resid  6 and name hb#) 2.0 0.2 2.2
!! medium range
assign  (resid   6 and name ha)(resid  3 and name hb#) 2.0 0.2 3.0
assign  (resid   6 and name ha)(resid  8 and name hd1) 2.0 0.2 3.0
!! long range

!Ser7   :
!! intraresidue
assign  (resid   7 and name ha)(resid  7 and name hb1) 2.0 0.2 0.7
assign  (resid   7 and name ha)(resid  7 and name hb2) 2.0 0.2 0.7
!! sequential
assign  (resid   7 and name ha)(resid  8 and name ha) 2.0 0.2 4.0
assign  (resid   7 and name ha)(resid  8 and name hd1) 2.0 0.2 1.2
assign  (resid   7 and name ha)(resid  8 and name hd2) 2.0 0.2 0.7
!! medium range
!! long range

!Pro8   :
!! intraresidue
!! sequential
!! medium range
!! long range
assign  (resid   8 and name ha)(resid 76 and name hd1#) 2.0 0.2 3.5


!Asp9   :
!! intraresidue
assign  (resid   9 and name ha)(resid  9 and name hb1) 2.0 0.2 0.7
assign  (resid   9 and name ha)(resid  9 and name hb2) 2.0 0.2 1.5
!! sequential
!! medium range
!! long range

!His10  :
!! intraresidue
assign  (resid  10 and name ha)(resid 10 and name hb1) 2.0 0.2 0.7
assign  (resid  10 and name ha)(resid 10 and name hb2) 2.0 0.2 1.5
!! sequential
!! medium range
!! long range

!Thr11  :
!! intraresidue
assign  (resid  11 and name ha)(resid  11 and name hb) 2.0 0.2 1.5
assign  (resid  11 and name ha)(resid  11 and name hg2#) 2.0 0.2 2.5
!! sequential
!! medium range
!! long range
assign  (resid  11 and name ha)(resid  39 and name ha) 2.0 0.2 3.0
assign  (resid  11 and name ha)(resid  39 and name hd1#) 2.0 0.2 3.5
assign  (resid  11 and name ha)(resid  40 and name hb1) 2.0 0.2 1.5
assign  (resid  11 and name ha)(resid  40 and name hb2) 2.0 0.2 3.0
assign  (resid  11 and name ha)(resid  40 and name hd2#) 2.0 0.2 4.5
assign  (resid  11 and name ha)(resid  41 and name ha) 2.0 0.2 3.0

!Leu12  :
!! intraresidue
assign  (resid  12 and name ha)(resid  12 and name hb1) 2.0 0.2 1.5
assign  (resid  12 and name ha)(resid  12 and name hb2) 2.0 0.2 0.7
assign  (resid  12 and name ha)(resid  12 and name hg) 2.0 0.2 2.5
assign  (resid  12 and name ha)(resid  12 and name hd1#) 2.0 0.2 2.2
!! sequential
assign  (resid  12 and name ha)(resid  11 and name hg2#) 2.0 0.2 3.5
!! medium range
!! long range

!Asp13  :
!! intraresidue
assign  (resid  13 and name ha)(resid  13 and name hb1) 2.0 0.2 1.5
assign  (resid  13 and name ha)(resid  13 and name hb2) 2.0 0.2 0.7
!! sequential
!! medium range
!! long range
assign  (resid  13 and name ha)(resid  41 and name hg2#) 2.0 0.2 3.5    !!
assign  (resid  13 and name ha)(resid  42 and name hb) 2.0 0.2 3.0
assign  (resid  13 and name ha)(resid  42 and name hd1#) 2.0 0.2 3.0    !!
assign  (resid  13 and name ha)(resid  42 and name hg2#) 2.0 0.2 4.0

!Ala14  :
!! intraresidue
!! sequential
!! medium range
assign  (resid  14 and name ha)(resid  17 and name hg) 2.0 0.2 2.5
assign  (resid  14 and name ha)(resid  17 and name hd1#) 2.0 0.2 4.5
assign  (resid  14 and name ha)(resid  17 and name hd2#) 2.0 0.2 2.5
!! long range

!Leu15  :
!! intraresidue
assign  (resid  15 and name ha)(resid  15 and name hb1) 2.0 0.2 0.7
assign  (resid  15 and name ha)(resid  15 and name hb2) 2.0 0.2 1.5
assign  (resid  15 and name ha)(resid  15 and name hg) 2.0 0.2 2.5
assign  (resid  15 and name ha)(resid  15 and name hd1#) 2.0 0.2 4.5
assign  (resid  15 and name ha)(resid  15 and name hd2#) 2.0 0.2 2.2
!! sequential
assign  (resid  15 and name ha)(resid  14 and name hb#) 2.0 0.2 4.5
!! medium range
!! long range
assign  (resid  15 and name ha)(resid  43 and name ha) 2.0 0.2 1.2

!Gly16  :
!! intraresidue
!! sequential
!! medium range
!! long range

!Leu17  :
!! intraresidue
assign  (resid  17 and name ha)(resid  17 and name hb1) 2.0 0.2 0.7
assign  (resid  17 and name ha)(resid  17 and name hb2) 2.0 0.2 1.5
assign  (resid  17 and name ha)(resid  17 and name hg) 2.0 0.2 2.5
assign  (resid  17 and name ha)(resid  17 and name hd2#) 2.0 0.2 2.2
!! sequential
!! medium range
!! long range

!Arg18  :
!! intraresidue
assign  (resid  18 and name ha)(resid  18 and name hb1) 2.0 0.2 0.7
assign  (resid  18 and name ha)(resid  18 and name hb2) 2.0 0.2 0.7
!! sequential
!! medium range
!! long range
assign  (resid  18 and name ha)(resid  45 and name hb1) 2.0 0.2 3.0

!Cys19  :
!! intraresidue
assign  (resid  19 and name ha)(resid  19 and name hb1) 2.0 0.2 1.5
assign  (resid  19 and name ha)(resid  19 and name hb2) 2.0 0.2 0.7
!! sequential
assign  (resid  19 and name ha)(resid  20 and name ha) 2.0 0.2 3.0
!! medium range
assign  (resid  19 and name ha)(resid  22 and name hd1) 2.0 0.2 2.5
assign  (resid  19 and name ha)(resid  22 and name hd2) 2.0 0.2 1.5
!! long range

!Pro20  :
!! intraresidue
!! sequential
assign  (resid  20 and name ha)(resid  19 and name ha) 2.0 0.2 0.7
assign  (resid  20 and name ha)(resid  19 and name hb1) 2.0 0.2 3.0
assign  (resid  20 and name ha)(resid  19 and name hb2) 2.0 0.2 3.0
assign  (resid  20 and name ha)(resid  22 and name hd2) 2.0 0.2 3.0
!! medium range
!! long range

!Glu21  :
!! intraresidue
assign  (resid  21 and name ha)(resid  21 and name hb1) 2.0 0.2 1.5
assign  (resid  21 and name ha)(resid  21 and name hb2) 2.0 0.2 0.7
!! sequential
!! medium range
assign  (resid  21 and name ha)(resid  24 and name hb1) 2.0 0.2 2.5
assign  (resid  21 and name ha)(resid  24 and name hb2) 2.0 0.2 2.0
assign  (resid  21 and name ha)(resid  24 and name hg1) 2.0 0.2 3.0
assign  (resid  21 and name ha)(resid  24 and name hg2) 2.0 0.2 3.0
!! long range

!Pro22  :
!! intraresidue
!! sequential
!! medium range
assign  (resid  22 and name ha)(resid  25 and name hg#) 2.0 0.2 4.5
!! long range

!Val23  :
!! intraresidue
assign  (resid  23 and name ha)(resid  23 and name hb) 2.0 0.2 1.5
assign  (resid  23 and name ha)(resid  23 and name hg1#) 2.0 0.2 2.2
assign  (resid  23 and name ha)(resid  23 and name hg2#) 2.0 0.2 2.2
!! sequential
!! medium range
assign  (resid  23 and name ha)(resid  26 and name hb) 2.0 0.2 1.2
!! long range

!Met24  :
!! intraresidue
assign  (resid  24 and name ha)(resid  24 and name hb1) 2.0 0.2 0.7
assign  (resid  24 and name ha)(resid  24 and name hb2) 2.0 0.2 1.5
!! sequential
assign  (resid  24 and name ha)(resid  23 and name hg1#) 2.0 0.2 4.5
!! medium range
assign  (resid  24 and name ha)(resid  27 and name hb#) 2.0 0.2 3.0
assign  (resid  24 and name ha)(resid  28 and name hg#) 2.0 0.2 4.0
!! long range

!Met25  :
!! intraresidue
assign  (resid  25 and name ha)(resid  25 and name hb1) 2.0 0.2 0.7
assign  (resid  25 and name ha)(resid  25 and name hb2) 2.0 0.2 1.5
!! sequential
!! medium range
assign  (resid  25 and name ha)(resid  28 and name hb#) 2.0 0.2 3.0
!! long range

!Val26  :
!! intraresidue
assign  (resid  26 and name ha)(resid  26 and name hb) 2.0 0.2 1.5
assign  (resid  26 and name ha)(resid  26 and name hg1#) 2.0 0.2 2.2
assign  (resid  26 and name ha)(resid  26 and name hg2#) 2.0 0.2 2.2
!! sequential
!! medium range
assign  (resid  26 and name ha)(resid  29 and name hb) 2.0 0.2 1.2
assign  (resid  26 and name ha)(resid  30 and name hg2#) 2.0 0.2 4.5
!! long range
assign  (resid  26 and name ha)(resid  12 and name hd2#) 2.0 0.2 2.2    !!

!Arg27  :
!! intraresidue
assign  (resid  27 and name ha)(resid  27 and name hb#) 2.0 0.2 1.5
!! sequential
assign  (resid  27 and name ha)(resid  26 and name hg1#) 2.0 0.2 4.5
!! medium range
assign  (resid  27 and name ha)(resid  30 and name hb) 2.0 0.2 1.2
assign  (resid  27 and name ha)(resid  30 and name hg1#) 2.0 0.2 3.5
assign  (resid  27 and name ha)(resid  30 and name hg2#) 2.0 0.2 3.5
!! long range

!Lys28  :
!! intraresidue
assign  (resid  28 and name ha)(resid  28 and name hb#) 2.0 0.2 2.2
!! sequential
!! medium range
assign  (resid  28 and name ha)(resid  31 and name hb1) 2.0 0.2 2.0
assign  (resid  28 and name ha)(resid  31 and name hb2) 2.0 0.2 0.7
assign  (resid  28 and name ha)(resid  31 and name hg#) 2.0 0.2 4.5
!! long range

!Thr29  :
!! intraresidue
assign  (resid  29 and name ha)(resid  29 and name hb) 2.0 0.2 1.5
assign  (resid  29 and name ha)(resid  29 and name hg2#) 2.0 0.2 2.2
!! sequential
!! medium range
assign  (resid  29 and name ha)(resid  32 and name hb1) 2.0 0.2 2.5
assign  (resid  29 and name ha)(resid  32 and name hb2) 2.0 0.2 3.0     !!
!! long range

!Val30  :
!! intraresidue
assign  (resid  30 and name ha)(resid  30 and name hb) 2.0 0.2 1.5
assign  (resid  30 and name ha)(resid  30 and name hg1#) 2.0 0.2 2.2
assign  (resid  30 and name ha)(resid  30 and name hg2#) 2.0 0.2 2.2
!! sequential
!! medium range
assign  (resid  30 and name ha)(resid  33 and name hb1) 2.0 0.2 2.5
assign  (resid  30 and name ha)(resid  33 and name hb2) 2.0 0.2 1.5
assign  (resid  30 and name ha)(resid  33 and name hg1) 2.0 0.2 2.0
assign  (resid  30 and name ha)(resid  33 and name hg2) 2.0 0.2 2.5
!! long range

!Arg31  :
!! intraresidue
assign  (resid  31 and name ha)(resid  31 and name hb1) 2.0 0.2 0.7
assign  (resid  31 and name ha)(resid  31 and name hb2) 2.0 0.2 1.5
assign  (resid  31 and name ha)(resid  31 and name hg1) 2.0 0.2 1.2
assign  (resid  31 and name ha)(resid  31 and name hg2) 2.0 0.2 0.7
!! sequential
assign  (resid  31 and name ha)(resid  30 and name hg1#) 2.0 0.2 4.5
!! medium range
!! long range

!Asn32  :
!! intraresidue
assign  (resid  32 and name ha)(resid  32 and name hb1) 2.0 0.2 0.7
assign  (resid  32 and name ha)(resid  32 and name hb2) 2.0 0.2 0.7
!! sequential
!! medium range
!! long range

!Met33  :
!! intraresidue
assign  (resid  33 and name ha)(resid  33 and name hb1) 2.0 0.2 0.7
assign  (resid  33 and name ha)(resid  33 and name hb2) 2.0 0.2 1.5
assign  (resid  33 and name ha)(resid  33 and name hg1) 2.0 0.2 1.5
assign  (resid  33 and name ha)(resid  33 and name hg2) 2.0 0.2 2.5
!! sequential
!! medium range
!! long range

!Gln34  :
!! intraresidue
assign  (resid  34 and name ha)(resid  34 and name hb2) 2.0 0.2 1.5
assign  (resid  34 and name ha)(resid  34 and name hb1) 2.0 0.2 0.7
!! sequential
!! medium range
!! long range

!Pro35  :
!! intraresidue
!! sequential
!! medium range
!! long range
assign  (resid  35 and name ha)(resid  79 and name hd#) 2.0 0.2 4.5
assign  (resid  35 and name ha)(resid  79 and name hg#) 2.0 0.2 4.5

!Gly36  :
!! intraresidue
!! sequential
!! medium range
!! long range
assign  (resid  36 and name ha#)(resid  78 and name hg#) 2.0 0.2 6.0
assign  (resid  36 and name ha#)(resid  78 and name hd#) 2.0 0.2 6.0

!Glu37  :
!! intraresidue
assign  (resid  37 and name ha)(resid  37 and name hb1) 2.0 0.2 0.7
assign  (resid  37 and name ha)(resid  37 and name hb2) 2.0 0.2 1.5
!! sequential
assign  (resid  37 and name ha)(resid  38 and name hg2#) 2.0 0.2 4.5
!! medium range
!! long range

!Thr38  :
!! intraresidue
assign  (resid  38 and name ha)(resid  38 and name hb) 2.0 0.2 0.7
assign  (resid  38 and name ha)(resid  38 and name hg2#) 2.0 0.2 2.2
!! sequential
assign  (resid  38 and name ha)(resid  33 and name he#) 2.0 0.2 4.5
!! medium range
!! long range
assign  (resid  38 and name ha)(resid  78 and name ha) 2.0 0.2 0.7
assign  (resid  38 and name ha)(resid  78 and name hg#) 2.0 0.2 4.5
assign  (resid  38 and name ha)(resid  76 and name hd1#) 2.0 0.2 4.5

!Leu39  :
!! intraresidue
assign  (resid  39 and name ha)(resid  39 and name hb1) 2.0 0.2 1.5
assign  (resid  39 and name ha)(resid  39 and name hb2) 2.0 0.2 0.7
assign  (resid  39 and name ha)(resid  39 and name hd1#) 2.0 0.2 2.2
assign  (resid  39 and name ha)(resid  39 and name hd2#) 2.0 0.2 4.5
!! sequential
!! medium range
!! long range
assign  (resid  39 and name ha)(resid  10 and name hb1) 2.0 0.2 1.5
assign  (resid  39 and name ha)(resid  10 and name hb2) 2.0 0.2 1.5

!Leu40  :
!! intraresidue
assign  (resid  40 and name ha)(resid  40 and name hb1) 2.0 0.2 1.5
assign  (resid  40 and name ha)(resid  40 and name hb2) 2.0 0.2 0.7
assign  (resid  40 and name ha)(resid  40 and name hg) 2.0 0.2 2.5
assign  (resid  40 and name ha)(resid  40 and name hd1#) 2.0 0.2 2.5
!! sequential
!! medium range
!! long range
assign  (resid  40 and name ha)(resid  76 and name ha) 2.0 0.2 0.7
!assign  (resid  40 and name ha)(resid  76 and name hg2#) 2.0 0.2 3.0

!Ile41  :
!! intraresidue
assign  (resid  41 and name ha)(resid  41 and name hb) 2.0 0.2 1.5
assign  (resid  41 and name ha)(resid  41 and name hg11) 2.0 0.2 2.0
assign  (resid  41 and name ha)(resid  41 and name hg12) 2.0 0.2 1.2
assign  (resid  41 and name ha)(resid  41 and name hg2#) 2.0 0.2 2.2
!! sequential
!! medium range
assign  (resid  41 and name ha)(resid  39 and name hd1#) 2.0 0.2 5.5
!! long range
assign  (resid  41 and name ha)(resid  12 and name hb1) 2.0 0.2 0.7
assign  (resid  41 and name ha)(resid  12 and name hb2) 2.0 0.2 3.0
assign  (resid  41 and name ha)(resid  12 and name hd2#) 2.0 0.2 5.5

!Ile42  :
!! intraresidue
assign  (resid  42 and name ha)(resid  42 and name hb) 2.0 0.2 1.5
assign  (resid  42 and name ha)(resid  42 and name hg11) 2.0 0.2 2.0
assign  (resid  42 and name ha)(resid  42 and name hg12) 2.0 0.2 1.2
assign  (resid  42 and name ha)(resid  42 and name hd1#) 2.0 0.2 4.5
assign  (resid  42 and name ha)(resid  42 and name hg2#) 2.0 0.2 2.2
!! sequential
!! medium range
!! long range
assign  (resid  42 and name ha)(resid  74 and name ha) 2.0 0.2 0.7

!Ala43  :
!! intraresidue
!! sequential
!! medium range
!! long range
assign  (resid  43 and name ha)(resid  14 and name hb#) 2.0 0.2 3.0
assign  (resid  43 and name ha)(resid  15 and name hd2#) 2.0 0.2 3.0

!Asp44  :
!! intraresidue
assign  (resid  44 and name ha)(resid  44 and name hb1) 2.0 0.2 0.7
assign  (resid  44 and name ha)(resid  44 and name hb2) 2.0 0.2 0.7
!! sequential
!! medium range
!! long range
assign  (resid  44 and name ha)(resid  73 and name hd1) 2.0 0.2 1.5
assign  (resid  44 and name ha)(resid  73 and name he1) 2.0 0.2 2.0
assign  (resid  44 and name ha)(resid  71 and name hd1#) 2.0 0.2 4.5
assign  (resid  44 and name ha)(resid  71 and name hd2#) 2.0 0.2 2.5

!Asp45  :
!! intraresidue
assign  (resid  45 and name ha)(resid  45 and name hb1) 2.0 0.2 0.7
assign  (resid  45 and name ha)(resid  45 and name hb2) 2.0 0.2 1.5
!! sequential
assign  (resid  45 and name ha)(resid  46 and name hg1) 2.0 0.2 3.0
assign  (resid  45 and name ha)(resid  46 and name hd1) 2.0 0.2 0.7
assign  (resid  45 and name ha)(resid  46 and name hd2) 2.0 0.2 1.2
!! medium range
!! long range

!Pro46  :
!! intraresidue
!! sequential
!! medium range
assign  (resid  46 and name ha)(resid  49 and name hg2#) 2.0 0.2 3.5
!! long range
assign  (resid  46 and name ha)(resid  73 and name he1) 2.0 0.2 2.0

!Ala47  :
!! intraresidue
!! sequential
!! medium range
assign  (resid  47 and name ha)(resid  50 and name hb2) 2.0 0.2 2.5
!! long range

!Thr48  :
!! intraresidue
assign  (resid  48 and name ha)(resid  48 and name hb) 2.0 0.2 0.7
assign  (resid  48 and name ha)(resid  48 and name hg2#) 2.0 0.2 2.2
!! sequential
!! medium range
assign  (resid  48 and name ha)(resid  51 and name hb2) 2.0 0.2 0.7
assign  (resid  48 and name ha)(resid  51 and name hb1) 2.0 0.2 3.0
assign  (resid  48 and name ha)(resid  52 and name hg1#) 2.0 0.2 4.5
!! long range

!Thr49  :
!! intraresidue
assign  (resid  49 and name ha)(resid  49 and name hb) 2.0 0.2 0.7
assign  (resid  49 and name ha)(resid  49 and name hg2#) 2.0 0.2 2.2
!! sequential
!! medium range
!assign  (resid  49 and name ha)(resid  51 and name hb1) 2.0 0.2 1.5
!assign  (resid  49 and name ha)(resid  51 and name hb2) 2.0 0.2 1.0
!! long range
assign  (resid  49 and name ha)(resid  75 and name he1) 2.0 0.2 1.5
assign  (resid  49 and name ha)(resid  75 and name he2) 2.0 0.2 1.0

!Arg50  :
!! intraresidue
assign  (resid  50 and name ha)(resid  50 and name hb1) 2.0 0.2 0.7
assign  (resid  50 and name ha)(resid  50 and name hb2) 2.0 0.2 1.5
assign  (resid  50 and name ha)(resid  50 and name hg1) 2.0 0.2 1.5
assign  (resid  50 and name ha)(resid  50 and name hg2) 2.0 0.2 1.5
!! sequential
!! medium range
assign  (resid  50 and name ha)(resid  53 and name hd2) 2.0 0.2 3.0
!! long range

!Asp51  :
!! intraresidue
assign  (resid  51 and name ha)(resid  51 and name hb1) 2.0 0.2 0.7
assign  (resid  51 and name ha)(resid  51 and name hb2) 2.0 0.2 1.5
!! sequential
!! medium range
!! long range

!Ile52  :
!! intraresidue
assign  (resid  52 and name ha)(resid  52 and name hb) 2.0 0.2 1.5
assign  (resid  52 and name ha)(resid  52 and name hg1#) 2.0 0.2 2.5
assign  (resid  52 and name ha)(resid  52 and name hg2#) 2.0 0.2 2.2
assign  (resid  52 and name ha)(resid  52 and name hd1#) 2.0 0.2 2.2
!! sequential
!! medium range
assign  (resid  52 and name ha)(resid  55 and name hb1) 2.0 0.2 1.5
assign  (resid  52 and name ha)(resid  55 and name hb2) 2.0 0.2 3.0
!! long range
assign  (resid  52 and name ha)(resid  23 and name hg2#) 2.0 0.2 2.5

!Pro53  :
!! intraresidue
!! sequential
!! medium range
assign  (resid  53 and name ha)(resid  56 and name hb1) 2.0 0.2 3.0
assign  (resid  53 and name ha)(resid  56 and name hb2) 2.0 0.2 1.5
!! long range

!Gly54  :
!! intraresidue
!! sequential
!! medium range
assign  (resid  54 and name ha2)(resid  57 and name hb) 2.0 0.2 1.5
!! long range

!Phe55  :
!! intraresidue
assign  (resid  55 and name ha)(resid  55 and name hb1) 2.0 0.2 1.5
assign  (resid  55 and name ha)(resid  55 and name hb2) 2.0 0.2 0.7
!! sequential
!! medium range
!! long range
assign  (resid  55 and name ha)(resid  23 and name hg1#) 2.0 0.2 4.5

!Cys56  :
!! intraresidue
assign  (resid  56 and name ha)(resid  56 and name hb1) 2.0 0.2 0.7
assign  (resid  56 and name ha)(resid  56 and name hb2) 2.0 0.2 1.5
!! sequential
!! medium range
!! long range

!Thr57  :
!! intraresidue
assign  (resid  57 and name ha)(resid  57 and name hb) 2.0 0.2 1.5
assign  (resid  57 and name ha)(resid  57 and name hg2#) 2.0 0.2 2.2
!! sequential
!! medium range
!! long range

!Phe58  :
!! intraresidue
assign  (resid  58 and name ha)(resid  58 and name hb1) 2.0 0.2 1.5
assign  (resid  58 and name ha)(resid  58 and name hb2) 2.0 0.2 0.7
assign  (resid  58 and name ha)(resid  58 and name hd1) 2.0 0.2 2.0
assign  (resid  58 and name ha)(resid  58 and name hd2) 2.0 0.2 1.5
!! sequential
!! medium range
!! long range

!Met59  :
!! intraresidue
assign  (resid  59 and name ha)(resid  59 and name hb1) 2.0 0.2 1.5
assign  (resid  59 and name ha)(resid  59 and name hb2) 2.0 0.2 0.7
!! sequential
!! medium range
!! long range

!Glu60  :
!! intraresidue
assign  (resid  60 and name ha)(resid  60 and name hb#) 2.0 0.2 2.7
assign  (resid  60 and name ha)(resid  60 and name hg#) 2.0 0.2 2.7
!! sequential
!! medium range
!! long range

!His61  :
!! intraresidue
assign  (resid  61 and name ha)(resid  61 and name hb1) 2.0 0.2 0.7
!! sequential
!! medium range
!! long range
assign  (resid  61 and name ha)(resid  80 and name ha1) 2.0 0.2 3.0
assign  (resid  61 and name ha)(resid  80 and name ha2) 2.0 0.2 3.0

!Glu62  :
!! intraresidue
assign  (resid  62 and name ha)(resid  62 and name hb1) 2.0 0.2 0.7
assign  (resid  62 and name ha)(resid  62 and name hb2) 2.0 0.2 1.5
assign  (resid  62 and name ha)(resid  62 and name hg#) 2.0 0.2 2.7
!! sequential
!! medium range
!! long range

!Leu63  :
!! intraresidue
assign  (resid  63 and name ha)(resid  63 and name hb1) 2.0 0.2 1.5
assign  (resid  63 and name ha)(resid  63 and name hb2) 2.0 0.2 0.7
assign  (resid  63 and name ha)(resid  63 and name hd1#) 2.0 0.2 2.2
!assign  (resid  63 and name ha)(resid  63 and name hd2#) 2.0 0.2 2.2
!! sequential
!! medium range
!! long range
assign  (resid  63 and name ha)(resid  77 and name ha) 2.0 0.2 0.7
assign  (resid  63 and name ha)(resid  77 and name hg2#) 2.0 0.2 3.0

!Val64  :
!! intraresidue
assign  (resid  64 and name ha)(resid  64 and name hb) 2.0 0.2 1.5
assign  (resid  64 and name ha)(resid  64 and name hg1#) 2.0 0.2 3.0
assign  (resid  64 and name ha)(resid  64 and name hg2#) 2.0 0.2 2.5
!! sequential
!! medium range
!! long range

!Ala65  :
!! intraresidue
!! sequential
!! medium range
!! long range

!Lys66  :
!! intraresidue
assign  (resid  66 and name ha)(resid  66 and name hb1) 2.0 0.2 0.7
assign  (resid  66 and name ha)(resid  66 and name hb2) 2.0 0.2 1.5
!! sequential
!! medium range
!! long range
assign  (resid  66 and name ha)(resid  5 and name hz) 2.0 0.2 1.5
assign  (resid  66 and name ha)(resid  75 and name ha) 2.0 0.2 0.7
assign  (resid  66 and name ha)(resid  75 and name hd1) 2.0 0.2 2.0

!Glu67  :
!! intraresidue
assign  (resid  67 and name ha)(resid  67 and name hb1) 2.0 0.2 1.5
assign  (resid  67 and name ha)(resid  67 and name hb2) 2.0 0.2 0.7
assign  (resid  67 and name ha)(resid  67 and name hg#) 2.0 0.2 3.0
!! sequential
!! medium range
!! long range

!Thr68  :
!! intraresidue
assign  (resid  68 and name ha)(resid  68 and name hb) 2.0 0.2 0.7
assign  (resid  68 and name ha)(resid  68 and name hg2#) 2.0 0.2 2.2
!! sequential
!! medium range
!! long range
assign  (resid  68 and name ha)(resid  73 and name ha) 2.0 0.2 2.0
assign  (resid  68 and name ha)(resid  73 and name hd2) 2.0 0.2 1.5
assign  (resid  68 and name ha)(resid  73 and name he2) 2.0 0.2 2.0

!Asp69  :
!! intraresidue
assign  (resid  69 and name ha)(resid  69 and name hb1) 2.0 0.2 0.7
assign  (resid  69 and name ha)(resid  69 and name hb2) 2.0 0.2 1.5
!! sequential
!! medium range
!! long range

!Gly70  :
!! intraresidue
!! sequential
!! medium range
!! long range

!Leu71  :
!! intraresidue
assign  (resid  71 and name ha)(resid  71 and name hb1) 2.0 0.2 0.7
assign  (resid  71 and name ha)(resid  71 and name hb2) 2.0 0.2 1.5
assign  (resid  71 and name ha)(resid  71 and name hd2#) 2.0 0.2 2.2
!! sequential
assign  (resid  71 and name ha)(resid  72 and name ha) 2.0 0.2 0.7
!! medium range
!! long range

!Pro72  :
!! intraresidue
!! sequential
assign  (resid  72 and name ha)(resid  71 and name hb1) 2.0 0.2 2.5
assign  (resid  72 and name ha)(resid  71 and name hb2) 2.0 0.2 1.5
assign  (resid  72 and name ha)(resid  71 and name hg) 2.0 0.2 3.0
assign  (resid  72 and name ha)(resid  71 and name hd2#) 2.0 0.2 3.0
!! medium range
assign  (resid  72 and name ha)(resid  42 and name hg2#) 2.0 0.2 4.5
!! long range

!Tyr73  :
!! intraresidue
assign  (resid  73 and name ha)(resid  73 and name hb1) 2.0 0.2 0.7
assign  (resid  73 and name ha)(resid  73 and name hb2) 2.0 0.2 1.5
assign  (resid  73 and name ha)(resid  73 and name hd1) 2.0 0.2 2.0
assign  (resid  73 and name ha)(resid  73 and name hd2) 2.0 0.2 1.0
assign  (resid  73 and name ha)(resid  73 and name he2) 2.0 0.2 3.0
!! sequential
!! medium range
!! long range

!Arg74  :
!! intraresidue
assign  (resid  74 and name ha)(resid  74 and name hb1) 2.0 0.2 0.7
assign  (resid  74 and name ha)(resid  74 and name hb2) 2.0 0.2 1.5
!! sequential
assign  (resid  74 and name ha)(resid  75 and name hd1) 2.0 0.2 2.5
assign  (resid  74 and name ha)(resid  75 and name hd2) 2.0 0.2 3.0
!! medium range
!! long range

!Tyr75  :
!! intraresidue
assign  (resid  75 and name ha)(resid  75 and name hb1) 2.0 0.2 0.7
assign  (resid  75 and name ha)(resid  75 and name hb2) 2.0 0.2 1.5
assign  (resid  75 and name ha)(resid  75 and name hd1) 2.0 0.2 1.0
assign  (resid  75 and name ha)(resid  75 and name hd2) 2.0 0.2 2.0
!! sequential
!! medium range
!! long range
assign  (resid  75 and name ha)(resid   5 and name he1) 2.0 0.2 3.0
assign  (resid  75 and name ha)(resid   5 and name he2) 2.0 0.2 2.5
!assign  (resid  75 and name ha)(resid  10 and name hb2) 2.0 0.2 3.0
assign  (resid  75 and name ha)(resid  66 and name hb1) 2.0 0.2 3.0
assign  (resid  75 and name ha)(resid  66 and name hb2) 2.0 0.2 3.0

!Leu76  :
!! intraresidue
assign  (resid  76 and name ha)(resid  76 and name hb1) 2.0 0.2 1.5
assign  (resid  76 and name ha)(resid  76 and name hb2) 2.0 0.2 0.7
assign  (resid  76 and name ha)(resid  76 and name hg) 2.0 0.2 1.5
assign  (resid  76 and name ha)(resid  76 and name hd1#) 2.0 0.2 2.2
assign  (resid  76 and name ha)(resid  76 and name hd2#) 2.0 0.2 4.0
!! sequential
!! medium range
!! long range

!Ile77  :
!! intraresidue
assign  (resid  77 and name ha)(resid  77 and name hb) 2.0 0.2 1.5
assign  (resid  77 and name ha)(resid  77 and name hg11) 2.0 0.2 2.0
assign  (resid  77 and name ha)(resid  77 and name hg12) 2.0 0.2 1.2
assign  (resid  77 and name ha)(resid  77 and name hg2#) 2.0 0.2 2.2
assign  (resid  77 and name ha)(resid  77 and name hd1#) 2.0 0.2 4.5
!! sequential
!! medium range
!! long range
assign  (resid  77 and name ha)(resid  63 and name hd1#) 2.0 0.2 4.5
assign  (resid  77 and name ha)(resid  64 and name hg1#) 2.0 0.2 3.5

!Arg78  :
!! intraresidue
!! sequential
!! medium range
!! long range
assign  (resid  78 and name ha)(resid  38 and name hb) 2.0 0.2 3.0
assign  (resid  78 and name ha)(resid  38 and name hg2#) 2.0 0.2 2.5

!Lys79  :
!! intraresidue
!! sequential
!! medium range
!! long range

!Gly80  :
!! intraresidue
!! sequential
!! medium range
!! long range

!Gly81  :
!! intraresidue
!! sequential
!! medium range
!! long range



!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!! NOE constraints between sidechains !!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!Met1   :
!! intraresidue
!! sequential
!! medium range
!! long range

!Thr2   :
!! intraresidue
!! sequential
!! medium range
!! long range

!Asp3   :
!! intraresidue
assign  (resid   3 and name hb#)(resid  6 and name hb#) 2.0 0.2 4.5
!! sequential
!! medium range
!! long range

!Leu4   :
!! intraresidue
!! sequential
!! medium range
!! long range
assign  (resid   4 and name hd1#)(resid  65 and name hb#) 2.0 0.2 3.7

!Phe5   :
!! intraresidue
!assign  (resid   5 and name hb1)(resid   5 and name hd1) 2.0 0.2 0.7   !c.o. 7/5
!assign  (resid   5 and name hb1)(resid   5 and name hd2) 2.0 0.2 2.0   !c.o. 7/2
!assign  (resid   5 and name hb2)(resid   5 and name hd1) 2.0 0.2 2.0   !c.o. 7/2
!assign  (resid   5 and name hb2)(resid   5 and name hd2) 2.0 0.2 0.7   !c.o. 7/5
!! sequential
!! medium range
!! long range
assign  (resid   5 and name hb1)(resid  40 and name hd1#) 2.0 0.2 4.5
assign  (resid   5 and name hb2)(resid  40 and name hd1#) 2.0 0.2 4.5
assign  (resid   5 and name hd1)(resid  40 and name hd1#) 2.0 0.2 4.5
assign  (resid   5 and name hd2)(resid  40 and name hd1#) 2.0 0.2 4.5  
assign  (resid   5 and name he1)(resid  65 and name hb#) 2.0 0.2 4.5    
assign  (resid   5 and name he2)(resid  65 and name hb#) 2.0 0.2 4.5
assign  (resid   5 and name hz)(resid  65 and name hb#) 2.0 0.2 4.0
assign  (resid   5 and name hz)(resid  66 and name ha) 2.0 0.2 1.5
assign  (resid   5 and name hz)(resid  67 and name hb1) 2.0 0.2 3.0
assign  (resid   5 and name hz)(resid  67 and name hg1) 2.0 0.2 3.0
assign  (resid   5 and name hz)(resid  67 and name hg2) 2.0 0.2 3.0

!Ser6   :
!! intraresidue
!! sequential
!! medium range
!! long range

!Ser7   :
!! intraresidue
!! sequential
!! medium range
!! long range

!Pro8   :
!! intraresidue
!! sequential
!! medium range
!! long range
assign  (resid   8 and name hb1)(resid  40 and name hb1) 2.0 0.2 3.0
assign  (resid   8 and name hb1)(resid  40 and name hb2) 2.0 0.2 3.0
assign  (resid   8 and name hb1)(resid  76 and name hd2#) 2.0 0.2 3.0
assign  (resid   8 and name hb1)(resid  76 and name hd1#) 2.0 0.2 3.5
assign  (resid   8 and name hb2)(resid  40 and name hb1) 2.0 0.2 3.0
assign  (resid   8 and name hb2)(resid  40 and name hb2) 2.0 0.2 3.0
assign  (resid   8 and name hb2)(resid  76 and name hd2#) 2.0 0.2 4.0
assign  (resid   8 and name hb2)(resid  76 and name hd1#) 2.0 0.2 3.5
assign  (resid   8 and name hg1)(resid  40 and name hb1) 2.0 0.2 3.0
assign  (resid   8 and name hg1)(resid  40 and name hb2) 2.0 0.2 3.0
assign  (resid   8 and name hg2)(resid  40 and name hb1) 2.0 0.2 3.0
assign  (resid   8 and name hg2)(resid  40 and name hb2) 2.0 0.2 3.0

!Asp9   :
!! intraresidue
!! sequential
assign  (resid   9 and name hb1)(resid  10 and name hd2) 2.0 0.2 3.0
assign  (resid   9 and name hb2)(resid  10 and name hd2) 2.0 0.2 2.5
!! medium range
!assign  (resid   9 and name hb2)(resid  5 and name ha) 2.0 0.2 2.0
!! long range
assign  (resid   9 and name hb2)(resid 37 and name hb2) 2.0 0.2 2.5

!His10  :
!! intraresidue
!! sequential
!! medium range
!! long range
assign  (resid  10 and name hb2)(resid 39 and name hd1#) 2.0 0.2 2.2

!Thr11  :
!! intraresidue
!! sequential
!! medium range
assign  (resid   11 and name hg2#)(resid  13 and name hb2) 2.0 0.2 4.5
!! long range
assign  (resid   11 and name hg2#)(resid  40 and name hg) 2.0 0.2 3.0
assign  (resid   11 and name hg2#)(resid  40 and name hb1) 2.0 0.2 3.5
assign  (resid   11 and name hg2#)(resid  42 and name hd1#) 2.0 0.2 3.7

!Leu12  :
!! intraresidue
assign  (resid   12 and name hb1)(resid  12 and name hd1#) 2.0 0.2 3.0
assign  (resid   12 and name hb1)(resid  12 and name hd2#) 2.0 0.2 2.7
assign  (resid   12 and name hb2)(resid  12 and name hd1#) 2.0 0.2 2.2
assign  (resid   12 and name hb2)(resid  12 and name hd2#) 2.0 0.2 2.7
!! sequential
!! medium range
assign  (resid   12 and name hg)(resid  14 and name hb#) 2.0 0.2 1.2
assign  (resid   12 and name hd1#)(resid  14 and name hb#) 2.0 0.2 4.5
!! long range
assign  (resid   12 and name hb1)(resid  41 and name hg11) 2.0 0.2 3.0
assign  (resid   12 and name hb1)(resid  41 and name hg12) 2.0 0.2 2.0
assign  (resid   12 and name hb2)(resid  41 and name hg11) 2.0 0.2 3.0
assign  (resid   12 and name hb2)(resid  41 and name hg12) 2.0 0.2 2.5
assign  (resid   12 and name hd1#)(resid  25 and name hg#) 2.0 0.2 4.5
assign  (resid   12 and name hd2#)(resid  25 and name hb1) 2.0 0.2 3.0
assign  (resid   12 and name hd2#)(resid  25 and name hb2) 2.0 0.2 3.0

!Asp13  :
!! intraresidue
!! sequential
!! medium range
!! long range

!Ala14  :
!! intraresidue
!! sequential
!! medium range
assign  (resid   14 and name hb#)(resid  17 and name hb2) 2.0 0.2 2.0
assign  (resid   14 and name hb#)(resid  17 and name hd1#) 2.0 0.2 6.0
assign  (resid   14 and name hb#)(resid  17 and name hd2#) 2.0 0.2 4.0
!! long range
assign  (resid   14 and name hb#)(resid  22 and name ha) 2.0 0.2 3.0
assign  (resid   14 and name hb#)(resid  22 and name hb1) 2.0 0.2 4.0
assign  (resid   14 and name hb#)(resid  41 and name hg2#) 2.0 0.2 4.0
assign  (resid   14 and name hb#)(resid  43 and name ha) 2.0 0.2 3.0
assign  (resid   14 and name hb#)(resid  43 and name hb#) 2.0 0.2 4.0
assign  (resid   14 and name hb#)(resid  48 and name hg2#) 2.0 0.2 5.0

!Leu15  :
!! intraresidue
assign  (resid   15 and name hb1)(resid  15 and name hg) 2.0 0.2 2.5
assign  (resid   15 and name hb1)(resid  15 and name hd1#) 2.0 0.2 2.2
assign  (resid   15 and name hb1)(resid  15 and name hd2#) 2.0 0.2 3.0
assign  (resid   15 and name hb2)(resid  15 and name hg) 2.0 0.2 1.5
assign  (resid   15 and name hb2)(resid  15 and name hd1#) 2.0 0.2 2.2
assign  (resid   15 and name hb2)(resid  15 and name hd2#) 2.0 0.2 3.5
!! sequential
!! medium range
!! long range
assign  (resid   15 and name hg)(resid  42 and name hg2#) 2.0 0.2 3.0
assign  (resid   15 and name hg)(resid  43 and name ha) 2.0 0.2 2.5
assign  (resid   15 and name hd2#)(resid  42 and name hb) 2.0 0.2 4.5
assign  (resid   15 and name hd2#)(resid  42 and name hg2#) 2.0 0.2 3.7
assign  (resid   15 and name hd2#)(resid  43 and name ha) 2.0 0.2 2.2
assign  (resid   15 and name hd2#)(resid  43 and name hb#) 2.0 0.2 5.5
assign  (resid   15 and name hd2#)(resid  44 and name hb1) 2.0 0.2 2.7
assign  (resid   15 and name hd2#)(resid  44 and name hb2) 2.0 0.2 3.0
assign  (resid   15 and name hd2#)(resid  72 and name hb1) 2.0 0.2 3.0
assign  (resid   15 and name hd2#)(resid  72 and name hb2) 2.0 0.2 2.2

!Gly16  :
!! intraresidue
!! sequential
!! medium range
!! long range

!Leu17  :
!! intraresidue
assign  (resid   17 and name hb1)(resid  17 and name hg) 2.0 0.2 2.5
assign  (resid   17 and name hb1)(resid  17 and name hd1#) 2.0 0.2 3.0
assign  (resid   17 and name hb1)(resid  17 and name hd2#) 2.0 0.2 3.0
assign  (resid   17 and name hb2)(resid  17 and name hg) 2.0 0.2 1.5
assign  (resid   17 and name hb2)(resid  17 and name hd1#) 2.0 0.2 3.0
assign  (resid   17 and name hb2)(resid  17 and name hd2#) 2.0 0.2 3.5
!! sequential
!! medium range
assign  (resid   17 and name hb1)(resid  21 and name hb1) 2.0 0.2 1.5
assign  (resid   17 and name hb1)(resid  21 and name hb2) 2.0 0.2 1.5
assign  (resid   17 and name hb1)(resid  22 and name hg1) 2.0 0.2 2.5
assign  (resid   17 and name hb1)(resid  21 and name hb2) 2.0 0.2 3.0
assign  (resid   17 and name hb1)(resid  22 and name hg1) 2.0 0.2 2.5
assign  (resid   17 and name hd2#)(resid  21 and name hb1) 2.0 0.2 2.0
!! long range
assign  (resid   17 and name hd2#)(resid  21 and name hg#) 2.0 0.2 5.5

!Arg18  :
!! intraresidue
!! sequential
!! medium range
!! long range

!Cys19  :
!! intraresidue
!! sequential
!! medium range
!! long range
assign  (resid   19 and name hb1)(resid  47 and name hb#) 2.0 0.2 2.7
assign  (resid   19 and name hb2)(resid  47 and name hb#) 2.0 0.2 3.0

!Pro20  :
!! intraresidue
!! sequential
assign  (resid   20 and name hd#)(resid  21 and name hg#) 2.0 0.2 6.0
!! medium range
!! long range

!Glu21  :
!! intraresidue
!! sequential
assign  (resid   21 and name hb1)(resid  22 and name hd1) 2.0 0.2 2.0
assign  (resid   21 and name hb2)(resid  22 and name hd1) 2.0 0.2 1.5
assign  (resid   21 and name hg#)(resid  20 and name hd#) 2.0 0.2 6.0
assign  (resid   21 and name hg#)(resid  22 and name hd1) 2.0 0.2 4.5
!! medium range
assign  (resid   21 and name hb1)(resid  17 and name hb1) 2.0 0.2 2.5
assign  (resid   21 and name hb1)(resid  17 and name hd1#) 2.0 0.2 3.5
assign  (resid   21 and name hb1)(resid  17 and name hd2#) 2.0 0.2 3.0
assign  (resid   21 and name hb2)(resid  17 and name hb1) 2.0 0.2 2.5
assign  (resid   21 and name hb2)(resid  17 and name hb2) 2.0 0.2 3.0
assign  (resid   21 and name hb2)(resid  17 and name hd1#) 2.0 0.2 3.0
assign  (resid   21 and name hb2)(resid  17 and name hd2#) 2.0 0.2 3.5
assign  (resid   21 and name hg#)(resid  25 and name hg#) 2.0 0.2 6.0
!! long range

!Pro22  :
!! intraresidue
!! sequential
!! medium range
!assign  (resid   22 and name hb1)(resid  20 and name hg1) 2.0 0.2 3.0
!! long range
assign  (resid   22 and name hb1)(resid  52 and name hd1#) 2.0 0.2 4.5
assign  (resid   22 and name hb2)(resid  52 and name hd1#) 2.0 0.2 4.0

!Val23  :
!! intraresidue
!! sequential
!! medium range
assign  (resid   23 and name hg1#)(resid  27 and name hd#) 2.0 0.2 5.0
!! long range
assign  (resid   23 and name hg1#)(resid  55 and name hb2) 2.0 0.2 4.0
assign  (resid   23 and name hg1#)(resid  55 and name hd2) 2.0 0.2 3.0
assign  (resid   23 and name hg1#)(resid  55 and name hd1) 2.0 0.2 4.5
assign  (resid   23 and name hg1#)(resid  55 and name he2) 2.0 0.2 3.5
assign  (resid   23 and name hg1#)(resid  55 and name hz) 2.0 0.2 4.0
assign  (resid   23 and name hg2#)(resid  48 and name ha) 2.0 0.2 4.5
assign  (resid   23 and name hg2#)(resid  51 and name ha) 2.0 0.2 4.5
assign  (resid   23 and name hg2#)(resid  51 and name hb1) 2.0 0.2 2.7
assign  (resid   23 and name hg2#)(resid  51 and name hb2) 2.0 0.2 3.0
assign  (resid   23 and name hg2#)(resid  55 and name hb2) 2.0 0.2 4.5

!Met24  :
!! intraresidue
!! sequential
!! medium range
!! long range

!Met25  :
!! intraresidue
!! sequential
!! medium range
!! long range

!Val26  :
!! intraresidue
!! sequential
!! medium range
assign  (resid   26 and name hg2#)(resid  29 and name hg2#) 2.0 0.2 3.7
!! long range
assign  (resid   26 and name hg1#)(resid  39 and name hd2#) 2.0 0.2 4.0
assign  (resid   26 and name hg2#)(resid  41 and name hg11) 2.0 0.2 2.7
assign  (resid   26 and name hg2#)(resid  41 and name hg12) 2.0 0.2 4.0
assign  (resid   26 and name hg2#)(resid  41 and name hd1#) 2.0 0.2 3.0
assign  (resid   26 and name hg2#)(resid  52 and name hg2#) 2.0 0.2 5.5
assign  (resid   26 and name hg2#)(resid  52 and name hd1#) 2.0 0.2 3.7
assign  (resid   26 and name hg2#)(resid  55 and name he2) 2.0 0.2 4.5
assign  (resid   26 and name hg2#)(resid  55 and name hz) 2.0 0.2 4.5

!Arg27  :
!! intraresidue
!! sequential
!! medium range
assign  (resid   27 and name hb1)(resid  31 and name hg#) 2.0 0.2 2.2
assign  (resid   27 and name hb1)(resid  31 and name hd#) 2.0 0.2 2.2
assign  (resid   27 and name hb1)(resid  31 and name hg1#) 2.0 0.2 4.5
!! long range

!Lys28  :
!! intraresidue
!! sequential
!! medium range
!! long range

!Thr29  :
!! intraresidue
!! sequential
!! medium range
!! long range
assign  (resid   29 and name hb)(resid  39 and name hd2#) 2.0 0.2 3.0
assign  (resid   29 and name hg2#)(resid  39 and name hd2#) 2.0 0.2 4.2

!Val30  :
!! intraresidue
!! sequential
!! medium range
assign  (resid   30 and name hg1#)(resid  27 and name hg#) 2.0 0.2 6.0
!! long range
assign  (resid   30 and name hg1#)(resid  79 and name ha) 2.0 0.2 4.0
assign  (resid   30 and name hg1#)(resid  79 and name hg#) 2.0 0.2 5.5
assign  (resid   30 and name hg1#)(resid  79 and name hd#) 2.0 0.2 5.5
assign  (resid   30 and name hg1#)(resid  79 and name he#) 2.0 0.2 5.0
assign  (resid   30 and name hg2#)(resid  55 and name hd1) 2.0 0.2 4.5
assign  (resid   30 and name hg2#)(resid  55 and name he1) 2.0 0.2 3.0


!Arg31  :
!! intraresidue
!! sequential
!! medium range
!! long range

!Asn32  :
!! intraresidue
!! sequential
!! medium range
!! long range

!Met33  :
!! intraresidue
!! sequential
!! medium range
!! long range

!Gln34  :
!! intraresidue
!! sequential
!! medium range
assign  (resid   34 and name hb1)(resid  37 and name hg#) 2.0 0.2 4.5
assign  (resid   34 and name hb2)(resid  37 and name hg#) 2.0 0.2 4.5
!! long range

!Pro35  :
!! intraresidue
!! sequential
!! medium range
!! long range

!Gly36  :
!! intraresidue
!! sequential
!! medium range
!! long range

!Glu37  :
!! intraresidue
!! sequential
!! medium range
!! long range

!Thr38  :
!! intraresidue
!! sequential
!! medium range
!! long range
assign  (resid   38 and name hb)(resid   8 and name ha) 2.0 0.2 2.5
assign  (resid   38 and name hb)(resid  76 and name hg) 2.0 0.2 2.0
assign  (resid   38 and name hb)(resid  76 and name hd2#) 2.0 0.2 2.2
assign  (resid   38 and name hb)(resid  76 and name hd1#) 2.0 0.2 5.0

!Leu39  :
!! intraresidue
assign  (resid   39 and name hb1)(resid  39 and name hg) 2.0 0.2 1.2
assign  (resid   39 and name hb1)(resid  39 and name hd2#) 2.0 0.2 3.0
assign  (resid   39 and name hb2)(resid  39 and name hg) 2.0 0.2 1.7
assign  (resid   39 and name hb2)(resid  39 and name hd2#) 2.0 0.2 3.0
!! sequential
!! medium range
!! long range

!Leu40  :
!! intraresidue
assign  (resid   40 and name hb1)(resid  40 and name hg) 2.0 0.2 1.2
assign  (resid   40 and name hb1)(resid  40 and name hd2#) 2.0 0.2 3.0
assign  (resid   40 and name hb2)(resid  40 and name hg) 2.0 0.2 1.7
assign  (resid   40 and name hb2)(resid  40 and name hd1#) 2.0 0.2 4.0
assign  (resid   40 and name hb2)(resid  40 and name hd2#) 2.0 0.2 3.0
!! sequential
!! medium range
!! long range
assign  (resid   40 and name hd1#)(resid  74 and name hb1) 2.0 0.2 3.5
assign  (resid   40 and name hd1#)(resid  74 and name hb2) 2.0 0.2 4.5

!Ile41  :
!! intraresidue
assign  (resid   41 and name hb)(resid  41 and name hg11) 2.0 0.2 1.5
assign  (resid   41 and name hb)(resid  41 and name hg12) 2.0 0.2 3.0
assign  (resid   41 and name hb)(resid  41 and name hg2#) 2.0 0.2 2.2
assign  (resid   41 and name hb)(resid  41 and name hd1#) 2.0 0.2 2.2
!! sequential
!! medium range
assign  (resid   41 and name hg2#)(resid  43 and name hb#) 2.0 0.2 4.2
!! long range
assign  (resid   41 and name hb)(resid  75 and name hb2) 2.0 0.2 1.2
assign  (resid   41 and name hb)(resid  75 and name hd2) 2.0 0.2 1.5
assign  (resid   41 and name hg11)(resid  76 and name hd1#) 2.0 0.2 3.5
assign  (resid   41 and name hg12)(resid  76 and name hd1#) 2.0 0.2 4.0
assign  (resid   41 and name hg2#)(resid  52 and name hd1#) 2.0 0.2 4.2
assign  (resid   41 and name hg2#)(resid  75 and name hd2) 2.0 0.2 3.0
!assign  (resid   41 and name hg2#)(resid  76 and name hd1#) 2.0 0.2 4.5
assign  (resid   41 and name hd1#)(resid  75 and name hb2) 2.0 0.2 3.0

!Ile42  :
!! intraresidue
assign  (resid   42 and name hb)(resid  42 and name hg11) 2.0 0.2 1.5
assign  (resid   42 and name hb)(resid  42 and name hg12) 2.0 0.2 2.5
assign  (resid   42 and name hb)(resid  42 and name hg2#) 2.0 0.2 2.2
assign  (resid   42 and name hb)(resid  42 and name hd1#) 2.0 0.2 2.2
!! sequential
!! medium range
!! long range
assign  (resid   42 and name hg2#)(resid  72 and name hb1) 2.0 0.2 3.0
assign  (resid   42 and name hg2#)(resid  72 and name hb2) 2.0 0.2 2.5
assign  (resid   42 and name hd1#)(resid  11 and name hg2#) 2.0 0.2 3.7
assign  (resid   42 and name hd1#)(resid  74 and name hd#) 2.0 0.2 6.0

!Ala43  :
!! intraresidue
!! sequential
!! medium range
assign  (resid   43 and name hb#)(resid  48 and name hb) 2.0 0.2 4.0
assign  (resid   43 and name hb#)(resid  48 and name hg2#) 2.0 0.2 3.7
!! long range
assign  (resid   43 and name hb#)(resid  52 and name hd1#) 2.0 0.2 6.0
assign  (resid   43 and name hb#)(resid  75 and name he2) 2.0 0.2 2.5

!Asp44  :
!! intraresidue
!! sequential
!! medium range
!! long range
assign  (resid   44 and name hb1)(resid  71 and name hd2#) 2.0 0.2 4.5
assign  (resid   44 and name hb2)(resid  71 and name hd2#) 2.0 0.2 3.0

!Asp45  :
!! intraresidue
!! sequential
!! medium range
assign  (resid   45 and name hb1)(resid  48 and name hg2#) 2.0 0.2 2.2
assign  (resid   45 and name hb2)(resid  48 and name hg2#) 2.0 0.2 4.5
!! long range

!Pro46  :
!! intraresidue
!! sequential
!! medium range
!! long range

!Ala47  :
!! intraresidue
!! sequential
!! medium range
!! long range

!Thr48  :
!! intraresidue
!! sequential
!! medium range
assign  (resid   48 and name hb)(resid  52 and name hb) 2.0 0.2 3.0
assign  (resid   48 and name hb)(resid  52 and name hg1#) 2.0 0.2 2.2
assign  (resid   48 and name hb)(resid  52 and name hd1#) 2.0 0.2 2.7
assign  (resid   48 and name hg2#)(resid  52 and name hg1#) 2.0 0.2 4.5
assign  (resid   48 and name hg2#)(resid  52 and name hd1#) 2.0 0.2 4.0
!! long range
assign  (resid   48 and name hb)(resid  75 and name he2) 2.0 0.2 2.0
assign  (resid   48 and name hg2#)(resid  75 and name he2) 2.0 0.2 4.5

!Thr49  :
!! intraresidue
!! sequential
!! medium range
!! long range

!Arg50  :
!! intraresidue
!! sequential
!! medium range
!! long range

!Asp51  :
!! intraresidue
!! sequential
!! medium range
!! long range

!Ile52  :
!! intraresidue
assign  (resid   52 and name hb)(resid  52 and name hg11) 2.0 0.2 1.2
assign  (resid   52 and name hb)(resid  52 and name hg12) 2.0 0.2 1.2
assign  (resid   52 and name hb)(resid  52 and name hg2#) 2.0 0.2 2.2
assign  (resid   52 and name hb)(resid  52 and name hd1#) 2.0 0.2 4.0
!! sequential
assign  (resid   52 and name hb)(resid  53 and name hd1) 2.0 0.2 0.7
assign  (resid   52 and name hb)(resid  53 and name hd2) 2.0 0.2 1.2
assign  (resid   52 and name hg2#)(resid  53 and name hd1) 2.0 0.2 3.0
assign  (resid   52 and name hg2#)(resid  53 and name hd2) 2.0 0.2 4.5
!! medium range
!! long range
assign  (resid   52 and name hb)(resid  75 and name he2) 2.0 0.2 3.0
assign  (resid   52 and name hg1#)(resid  75 and name he2) 2.0 0.2 4.5
assign  (resid   52 and name hg2#)(resid  75 and name he2) 2.0 0.2 4.5
assign  (resid   52 and name hd1#)(resid  75 and name hd2) 2.0 0.2 4.5
assign  (resid   52 and name hd1#)(resid  75 and name he2) 2.0 0.2 4.5

!Pro53  :
!! intraresidue
!! sequential
!! medium range
!! long range

!Gly54  :
!! intraresidue
!! sequential
!! medium range
!! long range

!Phe55  :
!! intraresidue
!! sequential
!! medium range
assign  (resid   55 and name hd#)(resid  58 and name hb1) 2.0 0.2 5.0
assign  (resid   55 and name hd#)(resid  58 and name hb2) 2.0 0.2 4.5
!! long range

!Cys56  :
!! intraresidue
!! sequential
!! medium range
!! long range

!Thr57  :
!! intraresidue
!! sequential
!! medium range
!! long range

!Phe58  :
!! intraresidue
!! sequential
!! medium range
!! long range

!Met59  :
!! intraresidue
!! sequential
!! medium range
!! long range

!Glu60  :
!! intraresidue
!! sequential
!! medium range
!! long range

!His61  :
!! intraresidue
!! sequential
!! medium range
!! long range
assign  (resid   61 and name hb1)(resid  77 and name hg2#) 2.0 0.2 4.0
assign  (resid   61 and name hb2)(resid  77 and name hg2#) 2.0 0.2 4.5

!Glu62  :
!! intraresidue
!! sequential
!! medium range
!! long range

!Leu63  :
!! intraresidue
!! sequential
!! medium range
assign  (resid   63 and name hd1#)(resid  66 and name hb1) 2.0 0.2 4.5
assign  (resid   63 and name hd1#)(resid  66 and name hb2) 2.0 0.2 3.0
assign  (resid   63 and name hd2#)(resid  66 and name hb1) 2.0 0.2 4.0
assign  (resid   63 and name hd2#)(resid  66 and name hb2) 2.0 0.2 4.0
!! long range
assign  (resid   63 and name hd1#)(resid  75 and name hb1) 2.0 0.2 3.0
assign  (resid   63 and name hd1#)(resid  75 and name hb2) 2.0 0.2 3.0
assign  (resid   63 and name hd1#)(resid  75 and name hd1) 2.0 0.2 3.0
assign  (resid   63 and name hd1#)(resid  77 and name hg2#) 2.0 0.2 4.2
assign  (resid   63 and name hd1#)(resid  77 and name hd1#) 2.0 0.2 5.5

!Val64  :
!! intraresidue
!! sequential
!! medium range
!! long range
assign  (resid   64 and name hb)(resid  76 and name hb1) 2.0 0.2 1.5
assign  (resid   64 and name hb)(resid  76 and name hb2) 2.0 0.2 2.5
assign  (resid   64 and name hb)(resid  76 and name hg) 2.0 0.2 2.0
assign  (resid   64 and name hb)(resid  76 and name hd1#) 2.0 0.2 2.2

!Ala65  :
!! intraresidue
!! sequential
!! medium range
!! long range
assign  (resid   65 and name hb#)(resid  76 and name hb1) 2.0 0.2 3.0
assign  (resid   65 and name hb#)(resid  76 and name hb2) 2.0 0.2 4.5

!Lys66  :
!! intraresidue
!! sequential
!! medium range
assign  (resid   66 and name hb1)(resid  68 and name hg2#) 2.0 0.2 3.0
assign  (resid   66 and name hb2)(resid  68 and name hg2#) 2.0 0.2 4.5
assign  (resid   66 and name hg#)(resid  68 and name hg2#) 2.0 0.2 5.5
assign  (resid   66 and name he#)(resid  68 and name hg2#) 2.0 0.2 4.5
!! long range
assign  (resid   66 and name hb1)(resid  75 and name hd1) 2.0 0.2 2.5
assign  (resid   66 and name hb2)(resid  75 and name hd1) 2.0 0.2 2.0

!Glu67  :
!! intraresidue
!! sequential
!! medium range
!! long range
assign  (resid   67 and name hb1)(resid  74 and name hb1) 2.0 0.2 3.0
assign  (resid   67 and name hb1)(resid  74 and name hb2) 2.0 0.2 2.5
assign  (resid   67 and name hb2)(resid  74 and name hb1) 2.0 0.2 3.0

!Thr68  :
!! intraresidue
!! sequential
!! medium range
!! long range
assign  (resid   68 and name hb)(resid  73 and name he2) 2.0 0.2 2.5
assign  (resid   68 and name hg2#)(resid  73 and name hb1) 2.0 0.2 3.0
assign  (resid   68 and name hg2#)(resid  73 and name hd2) 2.0 0.2 4.0

!Asp69  :
!! intraresidue
!! sequential
!! medium range
!! long range

!Gly70  :
!! intraresidue
!! sequential
!! medium range
!! long range

!Leu71  :
!! intraresidue
assign  (resid  71 and name hb1)(resid  71 and name hg) 2.0 0.2 0.7
assign  (resid  71 and name hb1)(resid  71 and name hd1#) 2.0 0.2 2.2
assign  (resid  71 and name hb1)(resid  71 and name hd2#) 2.0 0.2 3.0
assign  (resid  71 and name hb2)(resid  71 and name hg) 2.0 0.2 1.2
assign  (resid  71 and name hb2)(resid  71 and name hd1#) 2.0 0.2 3.0
assign  (resid  71 and name hb2)(resid  71 and name hd2#) 2.0 0.2 2.7
!! sequential
!! medium range
assign  (resid  71 and name hd2#)(resid  73 and name he1) 2.0 0.2 3.0
assign  (resid  71 and name hd2#)(resid  73 and name he2) 2.0 0.2 4.5
!! long range

!Pro72  :
!! intraresidue
!! sequential
!! medium range
!! long range

!Tyr73  :
!! intraresidue
!! sequential
!! medium range
assign  (resid  73 and name hb1)(resid  75 and name he1) 2.0 0.2 3.0
assign  (resid  73 and name hb1)(resid  75 and name he2) 2.0 0.2 2.5
assign  (resid  73 and name hb2)(resid  75 and name he2) 2.0 0.2 2.0
!! long range

!Arg74  :
!! intraresidue
!! sequential
!! medium range
!! long range

!Tyr75  :
!! intraresidue
!! sequential
!! medium range
!! long range

!Leu76  :
!! intraresidue
assign  (resid  76 and name hb1)(resid  76 and name hd1#) 2.0 0.2 3.0
assign  (resid  76 and name hb1)(resid  76 and name hd2#) 2.0 0.2 2.2
assign  (resid  76 and name hb2)(resid  76 and name hd1#) 2.0 0.2 2.2
assign  (resid  76 and name hb2)(resid  76 and name hd2#) 2.0 0.2 2.7
!! sequential
!! medium range
!! long range

!Ile77  :
!! intraresidue
assign  (resid  77 and name hb)(resid  77 and name hg11) 2.0 0.2 1.5
assign  (resid  77 and name hb)(resid  77 and name hg11) 2.0 0.2 2.5
assign  (resid  77 and name hb)(resid  77 and name hg2#) 2.0 0.2 2.2
!! sequential
!! medium range
!! long range

!Arg78  :
!! intraresidue
!! sequential
!! medium range
!! long range

!Lys79  :
!! intraresidue
!! sequential
!! medium range
!! long range

!Gly80  :
!! intraresidue
!! sequential
!! medium range
!! long range

!Gly81  :
!! intraresidue
!! sequential
!! medium range
!! long range



!!!!!!!!!!!!!!!!!!!!!!!!
!! H-bond constraints !!
!!!!!!!!!!!!!!!!!!!!!!!!
!!b1-strand to b2-strand:
!H10 to T38
assign  (resid  10 and name n)(resid  38 and name o) 3.3 0.8 0.2
assign  (resid  10 and name hn)(resid  38 and name o) 2.3 0.8 0.2
!L12 to L40
assign  (resid  12 and name n)(resid  40 and name o)  3.3 0.8 0.2
assign  (resid  12 and name hn)(resid  40 and name o)  2.3 0.8 0.2
!A14 to I42
assign  (resid  14 and name n)(resid  42 and name o)  3.3 0.8 0.2
assign  (resid  14 and name hn)(resid  42 and name o)  2.3 0.8 0.2

!!b2-strand to b1 strand
!L40 to H10
assign  (resid  40 and name n)(resid  10 and name o)  3.3 0.8 0.2
assign  (resid  40 and name hn)(resid  10 and name o)  2.3 0.8 0.2
!I42 to L12
assign  (resid  42 and name n)(resid  12 and name o)  3.3 0.8 0.2
assign  (resid  42 and name hn)(resid  12 and name o)  2.3 0.8 0.2
!D44 to A14
assign  (resid  44 and name n)(resid  14 and name o)  3.3 0.8 0.2
assign  (resid  44 and name hn)(resid  14 and name o)  2.3 0.8 0.2

!D45 to A14
assign  (resid  45 and name n)(resid  14 and name o)  3.3 0.8 0.2
assign  (resid  45 and name hn)(resid  14 and name o)  2.3 0.8 0.2

!! b2-strand to b4-strand
!E37 to K79
assign  (resid  37 and name n)(resid  79 and name o)  3.3 0.8 0.2
assign  (resid  37 and name hn)(resid  79 and name o)  2.3 0.8 0.2
!L39 to I77
assign  (resid  39 and name n)(resid  77 and name o)  3.3 0.8 0.2
assign  (resid  39 and name hn)(resid  77 and name o)  2.3 0.8 0.2
!I41 to Y75
assign  (resid  41 and name n)(resid  75 and name o)  3.3 0.8 0.2
assign  (resid  41 and name hn)(resid  75 and name o)  2.3 0.8 0.2
!A43 to Y73
assign  (resid  43 and name n)(resid  73 and name o)  3.3 0.8 0.2
assign  (resid  43 and name hn)(resid  73 and name o)  2.3 0.8 0.2

!! b4-strand to b2-strand
!Y73 to A43
assign  (resid  73 and name n)(resid  43 and name o)  3.3 0.8 0.2
assign  (resid  73 and name hn)(resid  43 and name o)  2.3 0.8 0.2
!Y75 to I41
assign  (resid  75 and name n)(resid  41 and name o)  3.3 0.8 0.2
assign  (resid  75 and name hn)(resid  41 and name o)  2.3 0.8 0.2
!I77 to L39
assign  (resid  77 and name n)(resid  39 and name o)  3.3 0.8 0.2
assign  (resid  77 and name hn)(resid  39 and name o)  2.3 0.8 0.2
!K79 to E37
assign  (resid  79 and name n)(resid  37 and name o)  3.3 0.8 0.2
assign  (resid  79 and name hn)(resid  37 and name o)  2.3 0.8 0.2

!! B4-strand to b3-strand
!R74 to E67
assign  (resid  74 and name n)(resid  67 and name o)  3.3 0.8 0.2
assign  (resid  74 and name hn)(resid  67 and name o)  2.3 0.8 0.2
!!L76 to A65
assign  (resid  76 and name n)(resid  65 and name o)  3.3 0.8 0.2
assign  (resid  76 and name hn)(resid  65 and name o)  2.3 0.8 0.2

!! b3-strand to b4-strand
!A65 to L76
assign  (resid  65 and name n)(resid  76 and name o)  3.3 0.8 0.2
assign  (resid  65 and name hn)(resid  76 and name o)  2.3 0.8 0.2
!E67 to R74
assign  (resid  67 and name n)(resid  74 and name o)  3.3 0.8 0.2
assign  (resid  67 and name hn)(resid  74 and name o)  2.3 0.8 0.2

!V64 to L76
assign  (resid  64 and name n)(resid  76 and name o)  3.3 0.8 0.2
assign  (resid  64 and name hn)(resid  76 and name o)  2.3 0.8 0.2

!! a1-helix
!M25 to E21
assign  (resid  25 and name n)(resid 21 and name o) 3.3 0.8 0.2
assign  (resid  25 and name hn)(resid 21 and name o) 2.3 0.8 0.2
!V26 to P22
assign  (resid  26 and name n)(resid 22 and name o) 3.3 0.8 0.2
assign  (resid  26 and name hn)(resid 22 and name o) 2.3 0.8 0.2
!R27 to V23
assign  (resid  27 and name n)(resid 23 and name o) 3.3 0.8 0.2
assign  (resid  27 and name hn)(resid 23 and name o) 2.3 0.8 0.2
!T29 to M25
assign  (resid  29 and name n)(resid 25 and name o) 3.3 0.8 0.2
assign  (resid  29 and name hn)(resid 25 and name o) 2.3 0.8 0.2
!V30 to V26
assign  (resid  30 and name n)(resid 26 and name o) 3.3 0.8 0.2
assign  (resid  30 and name hn)(resid 26 and name o) 2.3 0.8 0.2
!R31 to R27?
!assign  (resid  31 and name n)(resid 27 and name o) 3.3 0.8 0.2
!assign  (resid  31 and name hn)(resid 27 and name o) 2.3 0.8 0.2

!! a2-helix
!I52 to T48
assign  (resid  52 and name n)(resid 48 and name o) 3.3 0.8 0.2
assign  (resid  52 and name hn)(resid 48 and name o) 2.3 0.8 0.2
!F55 to D51
assign  (resid  55 and name n)(resid 51 and name o) 3.3 0.8 0.2
assign  (resid  55 and name hn)(resid 51 and name o) 2.3 0.8 0.2

!F55 to D51
assign  (resid  55 and name n)(resid 51 and name o) 3.3 0.8 0.2
assign  (resid  55 and name hn)(resid 51 and name o) 2.3 0.8 0.2





  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          HT1       MET   1 -17.269  10.923  -5.234
    2   2H    MET   1          HT2       MET   1 -17.654   9.662  -6.306
    3   3H    MET   1          HT3       MET   1 -16.576  10.886  -6.782
    4    HA   MET   1           HA       MET   1 -15.546   8.691  -6.133
    5   1HB   MET   1          HB2       MET   1 -14.707  11.337  -5.833
    6   2HB   MET   1          HB1       MET   1 -14.328  10.590  -4.281
    7   1HG   MET   1          HG2       MET   1 -12.465   9.805  -5.300
    8   2HG   MET   1          HG1       MET   1 -13.541   8.655  -6.093
    9   1HE   MET   1          HE1       MET   1 -10.668  10.194  -6.869
   10   2HE   MET   1          HE2       MET   1 -11.328  11.737  -6.333
   11   3HE   MET   1          HE3       MET   1 -10.853  11.528  -8.017
   12    H    THR   2           HN       THR   2 -16.084   7.071  -4.752
   13    HA   THR   2           HA       THR   2 -17.265   7.693  -2.128
   14    HB   THR   2           HB       THR   2 -16.658   4.898  -2.475
   15    HG1  THR   2           HG1      THR   2 -18.202   5.983  -4.569
   16   1HG2  THR   2          HG21      THR   2 -18.534   6.058  -1.192
   17   2HG2  THR   2          HG22      THR   2 -19.013   4.662  -2.159
   18   3HG2  THR   2          HG23      THR   2 -19.325   6.294  -2.751
   19    H    ASP   3           HN       ASP   3 -16.341   6.830  -0.127
   20    HA   ASP   3           HA       ASP   3 -13.424   7.126  -0.079
   21   1HB   ASP   3          HB2       ASP   3 -15.617   7.222   1.846
   22   2HB   ASP   3          HB1       ASP   3 -14.240   6.304   2.457
   23    H    LEU   4           HN       LEU   4 -12.256   5.373  -0.728
   24    HA   LEU   4           HA       LEU   4 -13.260   2.654  -0.080
   25   1HB   LEU   4          HB2       LEU   4 -10.900   3.518  -1.780
   26   2HB   LEU   4          HB1       LEU   4 -11.517   1.872  -1.627
   27    HG   LEU   4           HG       LEU   4 -13.346   4.099  -2.493
   28   1HD1  LEU   4          HD11      LEU   4 -11.028   3.115  -3.930
   29   2HD1  LEU   4          HD12      LEU   4 -12.159   4.388  -4.387
   30   3HD1  LEU   4          HD13      LEU   4 -12.512   2.709  -4.794
   31   1HD2  LEU   4          HD21      LEU   4 -13.294   1.192  -3.320
   32   2HD2  LEU   4          HD22      LEU   4 -14.647   2.322  -3.385
   33   3HD2  LEU   4          HD23      LEU   4 -14.077   1.717  -1.830
   34    H    PHE   5           HN       PHE   5 -11.263   4.971   1.282
   35    HA   PHE   5           HA       PHE   5  -9.260   3.089   2.329
   36   1HB   PHE   5          HB2       PHE   5  -9.702   6.041   2.442
   37   2HB   PHE   5          HB1       PHE   5  -8.759   5.299   3.736
   38    HD1  PHE   5           HD1      PHE   5  -6.777   6.598   2.886
   39    HD2  PHE   5           HD2      PHE   5  -8.741   3.617   0.512
   40    HE1  PHE   5           HE1      PHE   5  -4.821   6.462   1.378
   41    HE2  PHE   5           HE2      PHE   5  -6.756   3.507  -0.965
   42    HZ   PHE   5           HZ       PHE   5  -4.800   4.979  -0.563
   43    H    SER   6           HN       SER   6 -12.313   3.134   2.979
   44    HA   SER   6           HA       SER   6 -12.853   3.817   5.618
   45   1HB   SER   6          HB2       SER   6 -13.651   1.244   4.222
   46   2HB   SER   6          HB1       SER   6 -14.413   1.891   5.672
   47    HG   SER   6           HG       SER   6 -15.198   2.400   3.339
   48    H    SER   7           HN       SER   7 -13.043   2.066   7.485
   49    HA   SER   7           HA       SER   7 -10.522   1.468   8.471
   50   1HB   SER   7          HB2       SER   7 -13.186   0.801   9.155
   51   2HB   SER   7          HB1       SER   7 -12.215  -0.659   9.266
   52    HG   SER   7           HG       SER   7 -11.602   0.169  11.099
   53    HA   PRO   8           HA       PRO   8  -9.505  -1.648   5.365
   54   1HB   PRO   8          HB2       PRO   8  -6.795  -1.440   5.750
   55   2HB   PRO   8          HB1       PRO   8  -7.724  -0.352   4.708
   56   1HG   PRO   8          HG2       PRO   8  -6.603   0.159   7.428
   57   2HG   PRO   8          HG1       PRO   8  -6.916   1.301   6.110
   58   1HD   PRO   8          HD2       PRO   8  -8.545   0.938   8.381
   59   2HD   PRO   8          HD1       PRO   8  -9.024   1.769   6.887
   60    H    ASP   9           HN       ASP   9  -8.209  -3.729   5.579
   61    HA   ASP   9           HA       ASP   9  -8.682  -4.890   8.234
   62   1HB   ASP   9          HB2       ASP   9  -7.558  -6.091   5.682
   63   2HB   ASP   9          HB1       ASP   9  -7.935  -7.003   7.145
   64    H    HIS  10           HN       HIS  10  -6.013  -3.616   6.414
   65    HA   HIS  10           HA       HIS  10  -4.221  -4.206   8.710
   66   1HB   HIS  10          HB2       HIS  10  -3.851  -5.058   5.851
   67   2HB   HIS  10          HB1       HIS  10  -2.447  -4.706   6.852
   68    HD1  HIS  10           HD1      HIS  10  -1.622  -6.644   8.197
   69    HD2  HIS  10           HD2      HIS  10  -5.668  -7.022   7.271
   70    HE1  HIS  10           HE1      HIS  10  -2.360  -8.883   9.122
   71    H    THR  11           HN       THR  11  -2.034  -2.946   8.270
   72    HA   THR  11           HA       THR  11  -2.484  -0.507   6.649
   73    HB   THR  11           HB       THR  11  -1.678  -0.426   9.556
   74    HG1  THR  11           HG1      THR  11  -3.843  -0.900   9.435
   75   1HG2  THR  11          HG21      THR  11  -2.416   2.087   8.946
   76   2HG2  THR  11          HG22      THR  11  -1.872   1.565   7.352
   77   3HG2  THR  11          HG23      THR  11  -0.764   1.513   8.723
   78    H    LEU  12           HN       LEU  12  -0.440   0.724   6.392
   79    HA   LEU  12           HA       LEU  12   2.035  -0.727   7.144
   80   1HB   LEU  12          HB2       LEU  12   1.688  -1.677   4.981
   81   2HB   LEU  12          HB1       LEU  12   1.175  -0.130   4.315
   82    HG   LEU  12           HG       LEU  12   3.404   0.755   4.307
   83   1HD1  LEU  12          HD11      LEU  12   3.890  -1.414   6.354
   84   2HD1  LEU  12          HD12      LEU  12   4.229   0.313   6.465
   85   3HD1  LEU  12          HD13      LEU  12   5.240  -0.717   5.459
   86   1HD2  LEU  12          HD21      LEU  12   3.315  -2.179   3.615
   87   2HD2  LEU  12          HD22      LEU  12   4.814  -1.266   3.452
   88   3HD2  LEU  12          HD23      LEU  12   3.390  -0.786   2.538
   89    H    ASP  13           HN       ASP  13   3.022   0.930   8.240
   90    HA   ASP  13           HA       ASP  13   2.748   3.709   7.372
   91   1HB   ASP  13          HB2       ASP  13   3.204   2.906   9.779
   92   2HB   ASP  13          HB1       ASP  13   4.860   2.606   9.249
   93    H    ALA  14           HN       ALA  14   4.194   4.796   5.977
   94    HA   ALA  14           HA       ALA  14   6.729   3.400   5.351
   95   1HB   ALA  14          HB1       ALA  14   5.450   4.401   2.929
   96   2HB   ALA  14          HB2       ALA  14   4.576   3.068   3.687
   97   3HB   ALA  14          HB3       ALA  14   6.266   2.868   3.230
   98    H    LEU  15           HN       LEU  15   5.533   5.805   6.623
   99    HA   LEU  15           HA       LEU  15   6.644   8.099   5.245
  100   1HB   LEU  15          HB2       LEU  15   5.896   7.962   8.153
  101   2HB   LEU  15          HB1       LEU  15   5.835   9.312   7.040
  102    HG   LEU  15           HG       LEU  15   4.098   6.881   6.711
  103   1HD1  LEU  15          HD11      LEU  15   2.891   9.423   7.610
  104   2HD1  LEU  15          HD12      LEU  15   3.878   8.600   8.818
  105   3HD1  LEU  15          HD13      LEU  15   2.510   7.766   8.081
  106   1HD2  LEU  15          HD21      LEU  15   3.794   7.876   4.706
  107   2HD2  LEU  15          HD22      LEU  15   4.634   9.337   5.226
  108   3HD2  LEU  15          HD23      LEU  15   2.921   9.128   5.588
  109    H    GLY  16           HN       GLY  16   8.788   8.014   5.097
  110   1HA   GLY  16          HA2       GLY  16  10.978   8.372   6.108
  111   2HA   GLY  16          HA1       GLY  16  10.381   7.577   7.573
  112    H    LEU  17           HN       LEU  17   9.068   5.765   5.256
  113    HA   LEU  17           HA       LEU  17  11.193   3.726   5.355
  114   1HB   LEU  17          HB2       LEU  17   8.339   3.674   4.321
  115   2HB   LEU  17          HB1       LEU  17   9.442   2.305   4.243
  116    HG   LEU  17           HG       LEU  17   8.047   3.492   6.590
  117   1HD1  LEU  17          HD11      LEU  17   7.438   1.341   5.414
  118   2HD1  LEU  17          HD12      LEU  17   7.791   1.138   7.131
  119   3HD1  LEU  17          HD13      LEU  17   8.995   0.690   5.923
  120   1HD2  LEU  17          HD21      LEU  17   9.771   2.241   8.020
  121   2HD2  LEU  17          HD22      LEU  17  10.247   3.815   7.381
  122   3HD2  LEU  17          HD23      LEU  17  10.827   2.338   6.610
  123    H    ARG  18           HN       ARG  18  12.080   2.917   3.405
  124    HA   ARG  18           HA       ARG  18  11.179   4.315   0.961
  125   1HB   ARG  18          HB2       ARG  18  13.640   4.734   0.379
  126   2HB   ARG  18          HB1       ARG  18  12.868   5.776   1.575
  127   1HG   ARG  18          HG2       ARG  18  13.787   3.952   3.271
  128   2HG   ARG  18          HG1       ARG  18  14.945   3.658   1.974
  129   1HD   ARG  18          HD2       ARG  18  14.421   6.489   2.793
  130   2HD   ARG  18          HD1       ARG  18  15.430   5.488   3.838
  131    HE   ARG  18           HE       ARG  18  16.157   6.476   1.183
  132   1HH1  ARG  18          HH11      ARG  18  17.336   5.303   4.049
  133   2HH1  ARG  18          HH12      ARG  18  18.625   4.371   3.365
  134   1HH2  ARG  18          HH21      ARG  18  17.527   4.755   0.099
  135   2HH2  ARG  18          HH22      ARG  18  18.733   4.060   1.130
  136    H    CYS  19           HN       CYS  19  11.690   3.187  -0.933
  137    HA   CYS  19           HA       CYS  19  11.550   0.405  -0.834
  138   1HB   CYS  19          HB2       CYS  19  11.191   1.449  -2.926
  139   2HB   CYS  19          HB1       CYS  19  12.779   2.209  -2.919
  140    HG   CYS  19           HG       CYS  19  12.261  -0.413  -4.148
  141    HA   PRO  20           HA       PRO  20  11.998  -1.362  -1.513
  142   1HB   PRO  20          HB2       PRO  20  12.847  -3.775  -0.559
  143   2HB   PRO  20          HB1       PRO  20  13.424  -3.095  -2.092
  144   1HG   PRO  20          HG2       PRO  20  14.853  -3.331   0.508
  145   2HG   PRO  20          HG1       PRO  20  15.519  -3.220  -1.127
  146   1HD   PRO  20          HD2       PRO  20  15.331  -1.118   0.797
  147   2HD   PRO  20          HD1       PRO  20  15.837  -0.970  -0.901
  148    H    GLU  21           HN       GLU  21  12.996  -0.444   1.514
  149    HA   GLU  21           HA       GLU  21  11.900  -2.203   3.355
  150   1HB   GLU  21          HB2       GLU  21  12.279   0.727   3.407
  151   2HB   GLU  21          HB1       GLU  21  11.491  -0.060   4.765
  152   1HG   GLU  21          HG2       GLU  21  13.526  -1.710   4.636
  153   2HG   GLU  21          HG1       GLU  21  14.302  -0.397   3.750
  154    HA   PRO  22           HA       PRO  22   7.660  -0.062   3.281
  155   1HB   PRO  22          HB2       PRO  22   7.088   1.308   0.962
  156   2HB   PRO  22          HB1       PRO  22   7.728   2.067   2.417
  157   1HG   PRO  22          HG2       PRO  22   9.128   1.404  -0.126
  158   2HG   PRO  22          HG1       PRO  22   9.470   2.696   1.038
  159   1HD   PRO  22          HD2       PRO  22  10.903   0.310   0.830
  160   2HD   PRO  22          HD1       PRO  22  10.916   1.368   2.248
  161    H    VAL  23           HN       VAL  23   8.504  -0.478  -0.131
  162    HA   VAL  23           HA       VAL  23   6.392  -2.134  -0.937
  163    HB   VAL  23           HB       VAL  23   9.315  -2.470  -1.666
  164   1HG1  VAL  23          HG11      VAL  23   6.743  -3.522  -2.723
  165   2HG1  VAL  23          HG12      VAL  23   8.355  -4.237  -2.766
  166   3HG1  VAL  23          HG13      VAL  23   7.915  -2.984  -3.926
  167   1HG2  VAL  23          HG21      VAL  23   8.003  -1.008  -3.665
  168   2HG2  VAL  23          HG22      VAL  23   9.162  -0.374  -2.497
  169   3HG2  VAL  23          HG23      VAL  23   7.433  -0.299  -2.154
  170    H    MET  24           HN       MET  24   9.124  -2.791   1.160
  171    HA   MET  24           HA       MET  24   8.899  -5.693   1.040
  172   1HB   MET  24          HB2       MET  24  10.361  -3.717   2.760
  173   2HB   MET  24          HB1       MET  24  10.237  -5.394   3.291
  174   1HG   MET  24          HG2       MET  24  10.957  -5.132   0.459
  175   2HG   MET  24          HG1       MET  24  12.147  -4.416   1.548
  176   1HE   MET  24          HE1       MET  24  13.681  -5.890   0.497
  177   2HE   MET  24          HE2       MET  24  12.815  -7.199  -0.303
  178   3HE   MET  24          HE3       MET  24  14.001  -7.571   0.945
  179    H    MET  25           HN       MET  25   7.741  -3.179   3.280
  180    HA   MET  25           HA       MET  25   6.618  -4.950   5.206
  181   1HB   MET  25          HB2       MET  25   6.133  -2.097   4.415
  182   2HB   MET  25          HB1       MET  25   5.000  -2.880   5.518
  183   1HG   MET  25          HG2       MET  25   7.817  -3.369   6.192
  184   2HG   MET  25          HG1       MET  25   7.362  -1.667   6.270
  185   1HE   MET  25          HE1       MET  25   7.336  -3.741   9.798
  186   2HE   MET  25          HE2       MET  25   8.125  -2.350   9.058
  187   3HE   MET  25          HE3       MET  25   8.289  -3.942   8.321
  188    H    VAL  26           HN       VAL  26   5.224  -3.492   2.262
  189    HA   VAL  26           HA       VAL  26   2.608  -4.634   2.601
  190    HB   VAL  26           HB       VAL  26   4.141  -3.875   0.101
  191   1HG1  VAL  26          HG11      VAL  26   1.215  -3.917  -0.073
  192   2HG1  VAL  26          HG12      VAL  26   1.889  -5.516   0.224
  193   3HG1  VAL  26          HG13      VAL  26   2.409  -4.590  -1.181
  194   1HG2  VAL  26          HG21      VAL  26   2.087  -2.122   0.335
  195   2HG2  VAL  26          HG22      VAL  26   3.681  -1.836   1.033
  196   3HG2  VAL  26          HG23      VAL  26   2.380  -2.479   2.037
  197    H    ARG  27           HN       ARG  27   5.656  -5.899   1.464
  198    HA   ARG  27           HA       ARG  27   4.626  -8.215   0.108
  199   1HB   ARG  27          HB2       ARG  27   7.276  -7.528   1.348
  200   2HB   ARG  27          HB1       ARG  27   6.952  -9.181   0.810
  201   1HG   ARG  27          HG2       ARG  27   6.272  -6.968  -1.068
  202   2HG   ARG  27          HG1       ARG  27   7.979  -7.333  -0.835
  203   1HD   ARG  27          HD2       ARG  27   6.295  -9.720  -1.164
  204   2HD   ARG  27          HD1       ARG  27   6.323  -8.668  -2.579
  205    HE   ARG  27           HE       ARG  27   8.439  -9.619  -2.963
  206   1HH1  ARG  27          HH11      ARG  27   8.029 -11.153  -0.244
  207   2HH1  ARG  27          HH12      ARG  27   9.536 -10.775   0.522
  208   1HH2  ARG  27          HH21      ARG  27  10.335  -8.240  -1.706
  209   2HH2  ARG  27          HH22      ARG  27  10.841  -9.124  -0.306
  210    H    LYS  28           HN       LYS  28   6.111  -7.955   3.311
  211    HA   LYS  28           HA       LYS  28   5.423 -10.567   4.208
  212   1HB   LYS  28          HB2       LYS  28   5.813  -8.036   5.839
  213   2HB   LYS  28          HB1       LYS  28   5.808  -9.674   6.492
  214   1HG   LYS  28          HG2       LYS  28   7.661 -10.084   4.653
  215   2HG   LYS  28          HG1       LYS  28   7.855  -8.334   4.757
  216   1HD   LYS  28          HD2       LYS  28   7.944  -8.707   7.324
  217   2HD   LYS  28          HD1       LYS  28   8.247 -10.397   6.921
  218   1HE   LYS  28          HE2       LYS  28  10.010  -9.189   5.248
  219   2HE   LYS  28          HE1       LYS  28   9.998  -8.029   6.576
  220   1HZ   LYS  28          HZ1       LYS  28  11.401  -9.407   7.581
  221   2HZ   LYS  28          HZ2       LYS  28  11.113 -10.660   6.470
  222   3HZ   LYS  28          HZ3       LYS  28  10.088 -10.456   7.810
  223    H    THR  29           HN       THR  29   3.698  -7.524   4.334
  224    HA   THR  29           HA       THR  29   1.468  -8.422   5.934
  225    HB   THR  29           HB       THR  29   2.191  -6.133   4.189
  226    HG1  THR  29           HG1      THR  29   2.501  -5.505   6.153
  227   1HG2  THR  29          HG21      THR  29  -0.041  -5.152   4.243
  228   2HG2  THR  29          HG22      THR  29  -0.671  -6.586   5.054
  229   3HG2  THR  29          HG23      THR  29  -0.082  -6.697   3.395
  230    H    VAL  30           HN       VAL  30   2.342  -8.363   2.584
  231    HA   VAL  30           HA       VAL  30  -0.201  -9.159   1.474
  232    HB   VAL  30           HB       VAL  30   2.663  -9.008   0.581
  233   1HG1  VAL  30          HG11      VAL  30   2.073  -9.970  -1.602
  234   2HG1  VAL  30          HG12      VAL  30   0.470 -10.374  -0.986
  235   3HG1  VAL  30          HG13      VAL  30   1.899 -11.154  -0.307
  236   1HG2  VAL  30          HG21      VAL  30   0.184  -8.022  -0.835
  237   2HG2  VAL  30          HG22      VAL  30   1.836  -7.426  -0.984
  238   3HG2  VAL  30          HG23      VAL  30   0.912  -7.108   0.485
  239    H    ARG  31           HN       ARG  31   2.572 -10.725   2.842
  240    HA   ARG  31           HA       ARG  31   1.863 -13.428   2.029
  241   1HB   ARG  31          HB2       ARG  31   3.760 -12.384   4.155
  242   2HB   ARG  31          HB1       ARG  31   3.654 -14.070   3.643
  243   1HG   ARG  31          HG2       ARG  31   4.167 -13.292   1.286
  244   2HG   ARG  31          HG1       ARG  31   4.495 -11.699   1.952
  245   1HD   ARG  31          HD2       ARG  31   6.622 -12.512   2.096
  246   2HD   ARG  31          HD1       ARG  31   6.016 -13.186   3.609
  247    HE   ARG  31           HE       ARG  31   6.137 -15.333   2.633
  248   1HH1  ARG  31          HH11      ARG  31   5.813 -12.915   0.212
  249   2HH1  ARG  31          HH12      ARG  31   6.335 -13.943  -1.081
  250   1HH2  ARG  31          HH21      ARG  31   7.002 -16.647   0.984
  251   2HH2  ARG  31          HH22      ARG  31   7.008 -16.055  -0.643
  252    H    ASN  32           HN       ASN  32   1.255 -11.267   4.736
  253    HA   ASN  32           HA       ASN  32  -0.130 -13.494   6.165
  254   1HB   ASN  32          HB2       ASN  32  -0.168 -12.055   8.110
  255   2HB   ASN  32          HB1       ASN  32   1.466 -12.044   7.451
  256   1HD2  ASN  32          HD21      ASN  32   1.831  -9.906   8.447
  257   2HD2  ASN  32          HD22      ASN  32   1.154  -8.508   7.763
  258    H    MET  33           HN       MET  33  -0.841 -11.271   3.856
  259    HA   MET  33           HA       MET  33  -3.474 -10.479   4.919
  260   1HB   MET  33          HB2       MET  33  -1.829  -9.770   2.534
  261   2HB   MET  33          HB1       MET  33  -3.579  -9.651   2.364
  262   1HG   MET  33          HG2       MET  33  -3.337  -8.426   4.728
  263   2HG   MET  33          HG1       MET  33  -1.733  -8.074   4.103
  264   1HE   MET  33          HE1       MET  33  -5.565  -7.378   1.753
  265   2HE   MET  33          HE2       MET  33  -5.717  -7.232   3.501
  266   3HE   MET  33          HE3       MET  33  -5.117  -8.731   2.799
  267    H    GLN  34           HN       GLN  34  -5.325 -10.792   3.215
  268    HA   GLN  34           HA       GLN  34  -5.154 -13.511   2.004
  269   1HB   GLN  34          HB2       GLN  34  -7.195 -12.465   3.966
  270   2HB   GLN  34          HB1       GLN  34  -7.612 -13.743   2.824
  271   1HG   GLN  34          HG2       GLN  34  -5.230 -14.670   3.780
  272   2HG   GLN  34          HG1       GLN  34  -5.862 -13.842   5.204
  273   1HE2  GLN  34          HE21      GLN  34  -7.760 -14.719   6.228
  274   2HE2  GLN  34          HE22      GLN  34  -8.439 -16.205   5.767
  275    HA   PRO  35           HA       PRO  35  -7.037 -11.520  -1.393
  276   1HB   PRO  35          HB2       PRO  35  -8.429 -13.642  -2.480
  277   2HB   PRO  35          HB1       PRO  35  -6.682 -13.406  -2.649
  278   1HG   PRO  35          HG2       PRO  35  -8.162 -15.312  -0.879
  279   2HG   PRO  35          HG1       PRO  35  -6.554 -15.477  -1.607
  280   1HD   PRO  35          HD2       PRO  35  -7.035 -14.789   1.069
  281   2HD   PRO  35          HD1       PRO  35  -5.513 -14.495   0.199
  282    H    GLY  36           HN       GLY  36  -8.673 -10.148  -1.197
  283   1HA   GLY  36          HA2       GLY  36 -11.088  -9.699  -1.258
  284   2HA   GLY  36          HA1       GLY  36 -11.312 -11.107  -0.208
  285    H    GLU  37           HN       GLU  37  -8.542  -9.176   0.449
  286    HA   GLU  37           HA       GLU  37  -9.965  -7.962   2.790
  287   1HB   GLU  37          HB2       GLU  37  -7.315  -9.324   2.519
  288   2HB   GLU  37          HB1       GLU  37  -7.461  -8.008   3.677
  289   1HG   GLU  37          HG2       GLU  37  -9.438 -10.290   3.590
  290   2HG   GLU  37          HG1       GLU  37  -7.969 -10.361   4.564
  291    H    THR  38           HN       THR  38  -8.223  -6.119   3.665
  292    HA   THR  38           HA       THR  38  -7.328  -4.558   1.298
  293    HB   THR  38           HB       THR  38  -8.370  -2.530   2.659
  294    HG1  THR  38           HG1      THR  38  -9.848  -3.103   4.036
  295   1HG2  THR  38          HG21      THR  38  -9.661  -4.459   0.748
  296   2HG2  THR  38          HG22      THR  38  -9.058  -2.831   0.440
  297   3HG2  THR  38          HG23      THR  38 -10.560  -3.060   1.337
  298    H    LEU  39           HN       LEU  39  -5.795  -2.886   1.811
  299    HA   LEU  39           HA       LEU  39  -4.636  -2.918   4.556
  300   1HB   LEU  39          HB2       LEU  39  -3.351  -4.616   3.447
  301   2HB   LEU  39          HB1       LEU  39  -3.192  -3.639   1.991
  302    HG   LEU  39           HG       LEU  39  -2.077  -1.931   3.730
  303   1HD1  LEU  39          HD11      LEU  39  -2.126  -3.021   5.760
  304   2HD1  LEU  39          HD12      LEU  39  -0.578  -3.603   5.150
  305   3HD1  LEU  39          HD13      LEU  39  -2.014  -4.619   5.025
  306   1HD2  LEU  39          HD21      LEU  39   0.130  -2.994   3.124
  307   2HD2  LEU  39          HD22      LEU  39  -0.945  -2.739   1.749
  308   3HD2  LEU  39          HD23      LEU  39  -0.774  -4.349   2.449
  309    H    LEU  40           HN       LEU  40  -4.527  -0.751   5.065
  310    HA   LEU  40           HA       LEU  40  -4.326   1.256   2.916
  311   1HB   LEU  40          HB2       LEU  40  -5.839   1.847   4.687
  312   2HB   LEU  40          HB1       LEU  40  -4.649   1.444   5.925
  313    HG   LEU  40           HG       LEU  40  -3.193   3.280   5.079
  314   1HD1  LEU  40          HD11      LEU  40  -3.621   3.925   2.949
  315   2HD1  LEU  40          HD12      LEU  40  -4.916   4.899   3.644
  316   3HD1  LEU  40          HD13      LEU  40  -5.267   3.294   3.001
  317   1HD2  LEU  40          HD21      LEU  40  -4.667   3.758   6.950
  318   2HD2  LEU  40          HD22      LEU  40  -6.030   4.018   5.861
  319   3HD2  LEU  40          HD23      LEU  40  -4.679   5.151   5.869
  320    H    ILE  41           HN       ILE  41  -2.451   2.509   2.581
  321    HA   ILE  41           HA       ILE  41  -0.111   1.856   4.319
  322    HB   ILE  41           HB       ILE  41   0.088   2.037   1.315
  323   1HG1  ILE  41          HG12      ILE  41  -0.761  -0.286   3.047
  324   2HG1  ILE  41          HG11      ILE  41  -1.413   0.245   1.506
  325   1HG2  ILE  41          HG21      ILE  41   1.930   1.822   3.445
  326   2HG2  ILE  41          HG22      ILE  41   2.270   1.666   1.722
  327   3HG2  ILE  41          HG23      ILE  41   1.894   0.237   2.679
  328   1HD1  ILE  41          HD11      ILE  41  -0.154  -1.342   0.534
  329   2HD1  ILE  41          HD12      ILE  41   0.745  -1.628   2.022
  330   3HD1  ILE  41          HD13      ILE  41   1.246  -0.344   0.924
  331    H    ILE  42           HN       ILE  42   1.035   3.703   4.887
  332    HA   ILE  42           HA       ILE  42   0.480   6.142   3.276
  333    HB   ILE  42           HB       ILE  42   1.821   6.094   5.973
  334   1HG1  ILE  42          HG12      ILE  42  -1.095   5.842   5.282
  335   2HG1  ILE  42          HG11      ILE  42  -0.177   5.015   6.543
  336   1HG2  ILE  42          HG21      ILE  42   1.825   8.140   4.473
  337   2HG2  ILE  42          HG22      ILE  42   1.088   8.395   6.050
  338   3HG2  ILE  42          HG23      ILE  42   0.072   8.175   4.627
  339   1HD1  ILE  42          HD11      ILE  42  -1.288   6.584   7.818
  340   2HD1  ILE  42          HD12      ILE  42  -1.303   7.777   6.519
  341   3HD1  ILE  42          HD13      ILE  42   0.180   7.479   7.426
  342    H    ALA  43           HN       ALA  43   2.402   7.495   2.913
  343    HA   ALA  43           HA       ALA  43   5.018   6.302   3.329
  344   1HB   ALA  43          HB1       ALA  43   5.505   5.523   1.217
  345   2HB   ALA  43          HB2       ALA  43   4.403   6.654   0.432
  346   3HB   ALA  43          HB3       ALA  43   3.770   5.207   1.218
  347    H    ASP  44           HN       ASP  44   6.379   7.995   3.519
  348    HA   ASP  44           HA       ASP  44   5.525  10.539   2.237
  349   1HB   ASP  44          HB2       ASP  44   6.925  11.723   3.802
  350   2HB   ASP  44          HB1       ASP  44   5.922  10.619   4.732
  351    H    ASP  45           HN       ASP  45   7.817   7.967   2.390
  352    HA   ASP  45           HA       ASP  45   9.986   9.203   1.001
  353   1HB   ASP  45          HB2       ASP  45  10.455   7.131   1.894
  354   2HB   ASP  45          HB1       ASP  45   8.927   6.464   1.360
  355    HA   PRO  46           HA       PRO  46   8.002   9.857  -2.892
  356   1HB   PRO  46          HB2       PRO  46  10.272  10.296  -4.377
  357   2HB   PRO  46          HB1       PRO  46   9.579  11.494  -3.269
  358   1HG   PRO  46          HG2       PRO  46  12.013   9.808  -2.932
  359   2HG   PRO  46          HG1       PRO  46  11.621  11.372  -2.199
  360   1HD   PRO  46          HD2       PRO  46  11.432   8.845  -0.932
  361   2HD   PRO  46          HD1       PRO  46  10.762  10.367  -0.327
  362    H    ALA  47           HN       ALA  47  10.328   7.382  -2.345
  363    HA   ALA  47           HA       ALA  47   9.930   6.147  -5.003
  364   1HB   ALA  47          HB1       ALA  47  11.451   5.042  -2.627
  365   2HB   ALA  47          HB2       ALA  47  12.161   6.130  -3.819
  366   3HB   ALA  47          HB3       ALA  47  11.590   4.536  -4.311
  367    H    THR  48           HN       THR  48   8.194   6.201  -2.167
  368    HA   THR  48           HA       THR  48   7.422   3.355  -2.215
  369    HB   THR  48           HB       THR  48   5.726   4.227  -0.455
  370    HG1  THR  48           HG1      THR  48   7.375   6.338   0.052
  371   1HG2  THR  48          HG21      THR  48   8.400   3.427  -0.329
  372   2HG2  THR  48          HG22      THR  48   7.257   3.477   1.013
  373   3HG2  THR  48          HG23      THR  48   8.315   4.851   0.704
  374    H    THR  49           HN       THR  49   6.031   6.509  -3.067
  375    HA   THR  49           HA       THR  49   3.407   5.626  -3.712
  376    HB   THR  49           HB       THR  49   3.108   7.677  -4.741
  377    HG1  THR  49           HG1      THR  49   4.914   8.629  -5.946
  378   1HG2  THR  49          HG21      THR  49   5.764   8.550  -3.741
  379   2HG2  THR  49          HG22      THR  49   4.683   7.800  -2.566
  380   3HG2  THR  49          HG23      THR  49   4.168   9.238  -3.448
  381    H    ARG  50           HN       ARG  50   6.449   5.406  -5.434
  382    HA   ARG  50           HA       ARG  50   5.058   4.302  -7.816
  383   1HB   ARG  50          HB2       ARG  50   7.890   5.149  -7.251
  384   2HB   ARG  50          HB1       ARG  50   7.468   4.255  -8.711
  385   1HG   ARG  50          HG2       ARG  50   5.531   6.265  -8.548
  386   2HG   ARG  50          HG1       ARG  50   7.035   7.066  -8.090
  387   1HD   ARG  50          HD2       ARG  50   7.283   7.260 -10.358
  388   2HD   ARG  50          HD1       ARG  50   7.918   5.623 -10.200
  389    HE   ARG  50           HE       ARG  50   5.205   6.329 -11.190
  390   1HH1  ARG  50          HH21      ARG  50   5.275   3.757  -9.605
  391   2HH1  ARG  50          HH22      ARG  50   5.583   2.589 -10.846
  392   1HH2  ARG  50          HH11      ARG  50   6.626   4.940 -13.170
  393   2HH2  ARG  50          HH12      ARG  50   6.347   3.259 -12.864
  394    H    ASP  51           HN       ASP  51   7.363   3.240  -5.340
  395    HA   ASP  51           HA       ASP  51   7.601   0.609  -6.618
  396   1HB   ASP  51          HB2       ASP  51   8.729   1.723  -4.038
  397   2HB   ASP  51          HB1       ASP  51   9.104   0.120  -4.678
  398    H    ILE  52           HN       ILE  52   6.227   1.800  -3.535
  399    HA   ILE  52           HA       ILE  52   5.532  -0.723  -2.506
  400    HB   ILE  52           HB       ILE  52   4.535   2.046  -2.097
  401   1HG1  ILE  52          HG12      ILE  52   5.617  -0.210  -0.413
  402   2HG1  ILE  52          HG11      ILE  52   6.371   1.344  -0.767
  403   1HG2  ILE  52          HG21      ILE  52   2.419   0.765  -2.226
  404   2HG2  ILE  52          HG22      ILE  52   2.747   1.283  -0.573
  405   3HG2  ILE  52          HG23      ILE  52   3.050  -0.387  -1.049
  406   1HD1  ILE  52          HD11      ILE  52   5.453   2.167   1.113
  407   2HD1  ILE  52          HD12      ILE  52   4.576   0.661   1.383
  408   3HD1  ILE  52          HD13      ILE  52   3.861   1.934   0.393
  409    HA   PRO  53           HA       PRO  53   1.392  -0.556  -4.773
  410   1HB   PRO  53          HB2       PRO  53   1.185   1.260  -6.821
  411   2HB   PRO  53          HB1       PRO  53   0.612   1.539  -5.166
  412   1HG   PRO  53          HG2       PRO  53   3.021   2.630  -6.546
  413   2HG   PRO  53          HG1       PRO  53   2.093   3.322  -5.204
  414   1HD   PRO  53          HD2       PRO  53   4.567   2.001  -4.968
  415   2HD   PRO  53          HD1       PRO  53   3.449   2.342  -3.629
  416    H    GLY  54           HN       GLY  54   3.984   0.582  -6.973
  417   1HA   GLY  54          HA2       GLY  54   3.374  -1.090  -9.145
  418   2HA   GLY  54          HA1       GLY  54   5.031  -0.627  -8.717
  419    H    PHE  55           HN       PHE  55   4.608  -1.869  -5.980
  420    HA   PHE  55           HA       PHE  55   5.481  -4.553  -6.746
  421   1HB   PHE  55          HB2       PHE  55   6.601  -3.952  -4.826
  422   2HB   PHE  55          HB1       PHE  55   5.264  -2.976  -4.224
  423    HD1  PHE  55           HD1      PHE  55   5.291  -6.559  -5.330
  424    HD2  PHE  55           HD2      PHE  55   4.805  -3.798  -2.085
  425    HE1  PHE  55           HE1      PHE  55   4.529  -8.408  -3.874
  426    HE2  PHE  55           HE2      PHE  55   4.048  -5.648  -0.641
  427    HZ   PHE  55           HZ       PHE  55   3.898  -7.954  -1.531
  428    H    CYS  56           HN       CYS  56   2.662  -3.255  -4.897
  429    HA   CYS  56           HA       CYS  56   1.358  -5.732  -4.552
  430   1HB   CYS  56          HB2       CYS  56   0.354  -2.918  -4.877
  431   2HB   CYS  56          HB1       CYS  56  -0.775  -4.261  -4.683
  432    HG   CYS  56           HG       CYS  56   0.832  -4.798  -2.453
  433    H    THR  57           HN       THR  57   1.373  -3.597  -7.378
  434    HA   THR  57           HA       THR  57  -0.663  -5.039  -8.812
  435    HB   THR  57           HB       THR  57   1.653  -3.485  -9.988
  436    HG1  THR  57           HG1      THR  57   0.713  -1.793  -9.216
  437   1HG2  THR  57          HG21      THR  57   0.675  -4.157 -11.906
  438   2HG2  THR  57          HG22      THR  57  -0.672  -3.103 -11.473
  439   3HG2  THR  57          HG23      THR  57  -0.717  -4.814 -11.046
  440    H    PHE  58           HN       PHE  58   2.813  -5.478  -8.492
  441    HA   PHE  58           HA       PHE  58   3.039  -7.400 -10.642
  442   1HB   PHE  58          HB2       PHE  58   4.880  -5.961  -9.470
  443   2HB   PHE  58          HB1       PHE  58   4.941  -7.297  -8.320
  444    HD1  PHE  58           HD1      PHE  58   6.165  -6.086 -11.418
  445    HD2  PHE  58           HD2      PHE  58   5.060  -9.707  -9.389
  446    HE1  PHE  58           HE1      PHE  58   7.543  -7.398 -13.009
  447    HE2  PHE  58           HE2      PHE  58   6.438 -11.019 -10.980
  448    HZ   PHE  58           HZ       PHE  58   7.679  -9.864 -12.790
  449    H    MET  59           HN       MET  59   2.248  -7.692  -7.205
  450    HA   MET  59           HA       MET  59   2.590 -10.617  -7.369
  451   1HB   MET  59          HB2       MET  59   2.250  -8.678  -5.193
  452   2HB   MET  59          HB1       MET  59   1.624 -10.296  -4.906
  453   1HG   MET  59          HG2       MET  59   3.953 -11.026  -5.919
  454   2HG   MET  59          HG1       MET  59   4.444  -9.414  -5.404
  455   1HE   MET  59          HE1       MET  59   2.045 -12.304  -3.182
  456   2HE   MET  59          HE2       MET  59   3.556 -13.180  -3.413
  457   3HE   MET  59          HE3       MET  59   2.730 -12.482  -4.803
  458    H    GLU  60           HN       GLU  60   0.230  -8.742  -8.473
  459    HA   GLU  60           HA       GLU  60  -1.926  -9.415  -9.195
  460   1HB   GLU  60          HB2       GLU  60  -0.875 -11.811  -8.309
  461   2HB   GLU  60          HB1       GLU  60  -2.320 -11.625  -7.314
  462   1HG   GLU  60          HG2       GLU  60  -3.731 -11.422  -9.236
  463   2HG   GLU  60          HG1       GLU  60  -2.346 -11.242 -10.315
  464    H    HIS  61           HN       HIS  61  -1.228  -7.746  -6.791
  465    HA   HIS  61           HA       HIS  61  -3.624  -8.130  -5.100
  466   1HB   HIS  61          HB2       HIS  61  -1.382  -6.105  -4.824
  467   2HB   HIS  61          HB1       HIS  61  -2.578  -6.543  -3.610
  468    HD1  HIS  61           HD1      HIS  61  -2.060  -9.659  -4.913
  469    HD2  HIS  61           HD2      HIS  61   0.452  -7.185  -2.690
  470    HE1  HIS  61           HE1      HIS  61  -0.296 -11.157  -3.902
  471    H    GLU  62           HN       GLU  62  -4.713  -5.845  -4.550
  472    HA   GLU  62           HA       GLU  62  -4.904  -4.373  -7.150
  473   1HB   GLU  62          HB2       GLU  62  -6.992  -5.405  -5.310
  474   2HB   GLU  62          HB1       GLU  62  -7.307  -3.883  -6.122
  475   1HG   GLU  62          HG2       GLU  62  -6.323  -5.408  -8.179
  476   2HG   GLU  62          HG1       GLU  62  -7.190  -6.615  -7.230
  477    H    LEU  63           HN       LEU  63  -4.857  -2.209  -7.056
  478    HA   LEU  63           HA       LEU  63  -4.234  -0.911  -4.475
  479   1HB   LEU  63          HB2       LEU  63  -2.898   0.045  -6.152
  480   2HB   LEU  63          HB1       LEU  63  -4.150  -0.118  -7.379
  481    HG   LEU  63           HG       LEU  63  -5.450   1.676  -6.077
  482   1HD1  LEU  63          HD11      LEU  63  -3.385   1.285  -4.236
  483   2HD1  LEU  63          HD12      LEU  63  -4.554   2.605  -4.224
  484   3HD1  LEU  63          HD13      LEU  63  -2.991   2.820  -5.011
  485   1HD2  LEU  63          HD21      LEU  63  -4.626   3.149  -7.586
  486   2HD2  LEU  63          HD22      LEU  63  -3.569   1.831  -8.093
  487   3HD2  LEU  63          HD23      LEU  63  -2.991   3.029  -6.934
  488    H    VAL  64           HN       VAL  64  -6.180  -0.819  -3.285
  489    HA   VAL  64           HA       VAL  64  -8.682  -0.509  -4.604
  490    HB   VAL  64           HB       VAL  64  -7.798  -0.327  -1.725
  491   1HG1  VAL  64          HG11      VAL  64  -9.820   0.908  -1.844
  492   2HG1  VAL  64          HG12      VAL  64 -10.290  -0.723  -1.358
  493   3HG1  VAL  64          HG13      VAL  64 -10.504  -0.202  -3.029
  494   1HG2  VAL  64          HG21      VAL  64  -9.591  -2.461  -2.621
  495   2HG2  VAL  64          HG22      VAL  64  -8.088  -2.568  -1.707
  496   3HG2  VAL  64          HG23      VAL  64  -8.044  -2.467  -3.468
  497    H    ALA  65           HN       ALA  65  -6.701   1.866  -2.689
  498    HA   ALA  65           HA       ALA  65  -8.007   3.961  -4.354
  499   1HB   ALA  65          HB1       ALA  65  -9.498   4.481  -2.748
  500   2HB   ALA  65          HB2       ALA  65  -8.133   5.104  -1.822
  501   3HB   ALA  65          HB3       ALA  65  -8.691   3.451  -1.565
  502    H    LYS  66           HN       LYS  66  -6.464   5.535  -4.887
  503    HA   LYS  66           HA       LYS  66  -3.943   5.424  -3.366
  504   1HB   LYS  66          HB2       LYS  66  -4.341   7.106  -5.785
  505   2HB   LYS  66          HB1       LYS  66  -2.896   6.250  -5.249
  506   1HG   LYS  66          HG2       LYS  66  -3.549   4.827  -6.866
  507   2HG   LYS  66          HG1       LYS  66  -4.530   4.166  -5.588
  508   1HD   LYS  66          HD2       LYS  66  -6.292   4.503  -6.966
  509   2HD   LYS  66          HD1       LYS  66  -6.097   6.215  -6.591
  510   1HE   LYS  66          HE2       LYS  66  -5.595   6.609  -8.746
  511   2HE   LYS  66          HE1       LYS  66  -4.173   5.579  -8.583
  512   1HZ   LYS  66          HZ1       LYS  66  -6.745   5.005  -9.777
  513   2HZ   LYS  66          HZ2       LYS  66  -6.133   3.767  -8.786
  514   3HZ   LYS  66          HZ3       LYS  66  -5.222   4.334 -10.103
  515    H    GLU  67           HN       GLU  67  -2.877   7.386  -2.829
  516    HA   GLU  67           HA       GLU  67  -4.612   9.764  -2.500
  517   1HB   GLU  67          HB2       GLU  67  -3.337   8.134  -0.411
  518   2HB   GLU  67          HB1       GLU  67  -3.304   9.860  -0.186
  519   1HG   GLU  67          HG2       GLU  67  -5.905   8.778  -1.056
  520   2HG   GLU  67          HG1       GLU  67  -5.394   8.266   0.553
  521    H    THR  68           HN       THR  68  -3.523  11.296  -3.632
  522    HA   THR  68           HA       THR  68  -0.605  11.656  -3.078
  523    HB   THR  68           HB       THR  68  -0.233  12.143  -5.474
  524    HG1  THR  68           HG1      THR  68  -2.159  11.219  -6.759
  525   1HG2  THR  68          HG21      THR  68  -0.830   9.586  -4.332
  526   2HG2  THR  68          HG22      THR  68   0.310   9.969  -5.622
  527   3HG2  THR  68          HG23      THR  68  -1.368   9.588  -6.011
  528    H    ASP  69           HN       ASP  69  -3.026  12.966  -2.067
  529    HA   ASP  69           HA       ASP  69  -3.266  15.517  -3.463
  530   1HB   ASP  69          HB2       ASP  69  -4.192  14.718  -0.699
  531   2HB   ASP  69          HB1       ASP  69  -4.711  16.156  -1.579
  532    H    GLY  70           HN       GLY  70  -0.803  14.336  -1.800
  533   1HA   GLY  70          HA2       GLY  70   1.006  16.115  -1.547
  534   2HA   GLY  70          HA1       GLY  70  -0.119  16.840  -0.429
  535    H    LEU  71           HN       LEU  71   2.495  15.175  -0.482
  536    HA   LEU  71           HA       LEU  71   2.519  12.883   0.925
  537   1HB   LEU  71          HB2       LEU  71   4.206  15.311   1.541
  538   2HB   LEU  71          HB1       LEU  71   4.523  13.712   2.179
  539    HG   LEU  71           HG       LEU  71   4.133  13.920  -0.733
  540   1HD1  LEU  71          HD11      LEU  71   5.602  15.787  -0.493
  541   2HD1  LEU  71          HD12      LEU  71   6.642  14.424  -0.909
  542   3HD1  LEU  71          HD13      LEU  71   6.535  14.974   0.764
  543   1HD2  LEU  71          HD21      LEU  71   5.847  12.342   1.184
  544   2HD2  LEU  71          HD22      LEU  71   6.075  12.256  -0.562
  545   3HD2  LEU  71          HD23      LEU  71   4.546  11.747   0.154
  546    HA   PRO  72           HA       PRO  72   3.400  11.870   2.360
  547   1HB   PRO  72          HB2       PRO  72   2.433   9.874   3.947
  548   2HB   PRO  72          HB1       PRO  72   3.671  11.019   4.501
  549   1HG   PRO  72          HG2       PRO  72   0.773  10.915   5.159
  550   2HG   PRO  72          HG1       PRO  72   2.114  11.513   6.153
  551   1HD   PRO  72          HD2       PRO  72   0.298  13.120   4.697
  552   2HD   PRO  72          HD1       PRO  72   1.861  13.663   5.348
  553    H    TYR  73           HN       TYR  73   2.820  10.219   0.912
  554    HA   TYR  73           HA       TYR  73   0.211  10.299  -0.273
  555   1HB   TYR  73          HB2       TYR  73   2.094   8.041  -0.662
  556   2HB   TYR  73          HB1       TYR  73   1.003   8.768  -1.830
  557    HD1  TYR  73           HD1      TYR  73   4.243   8.685  -0.455
  558    HD2  TYR  73           HD2      TYR  73   1.522  11.177  -2.600
  559    HE1  TYR  73           HE1      TYR  73   6.155  10.017  -1.272
  560    HE2  TYR  73           HE2      TYR  73   3.401  12.567  -3.404
  561    HH   TYR  73           HH       TYR  73   6.747  11.597  -2.879
  562    H    ARG  74           HN       ARG  74  -1.153   8.297  -0.571
  563    HA   ARG  74           HA       ARG  74  -0.743   6.208   1.403
  564   1HB   ARG  74          HB2       ARG  74  -2.986   8.171   1.517
  565   2HB   ARG  74          HB1       ARG  74  -3.300   6.478   1.920
  566   1HG   ARG  74          HG2       ARG  74  -1.980   6.503   3.757
  567   2HG   ARG  74          HG1       ARG  74  -0.886   7.693   3.099
  568   1HD   ARG  74          HD2       ARG  74  -3.692   8.524   3.722
  569   2HD   ARG  74          HD1       ARG  74  -2.548   8.349   5.053
  570    HE   ARG  74           HE       ARG  74  -1.212   9.891   3.144
  571   1HH1  ARG  74          HH11      ARG  74  -4.404  10.456   3.222
  572   2HH1  ARG  74          HH12      ARG  74  -4.349  11.990   4.024
  573   1HH2  ARG  74          HH21      ARG  74  -1.012  11.696   4.924
  574   2HH2  ARG  74          HH22      ARG  74  -2.427  12.693   4.988
  575    H    TYR  75           HN       TYR  75  -1.924   4.327   0.845
  576    HA   TYR  75           HA       TYR  75  -3.462   4.401  -1.638
  577   1HB   TYR  75          HB2       TYR  75  -1.270   2.423  -1.627
  578   2HB   TYR  75          HB1       TYR  75  -2.046   3.233  -2.988
  579    HD1  TYR  75           HD1      TYR  75  -1.546   5.798  -3.249
  580    HD2  TYR  75           HD2      TYR  75   0.710   3.128  -0.839
  581    HE1  TYR  75           HE1      TYR  75   0.385   7.348  -3.388
  582    HE2  TYR  75           HE2      TYR  75   2.674   4.663  -0.942
  583    HH   TYR  75           HH       TYR  75   2.533   7.650  -2.884
  584    H    LEU  76           HN       LEU  76  -5.122   2.903  -1.336
  585    HA   LEU  76           HA       LEU  76  -4.762   1.046   0.830
  586   1HB   LEU  76          HB2       LEU  76  -6.963   2.121   0.580
  587   2HB   LEU  76          HB1       LEU  76  -7.134   1.395  -1.004
  588    HG   LEU  76           HG       LEU  76  -6.712  -0.839   0.160
  589   1HD1  LEU  76          HD11      LEU  76  -7.824   0.214   2.647
  590   2HD1  LEU  76          HD12      LEU  76  -6.194   0.802   2.319
  591   3HD1  LEU  76          HD13      LEU  76  -6.506  -0.932   2.402
  592   1HD2  LEU  76          HD21      LEU  76  -9.207  -0.150   1.292
  593   2HD2  LEU  76          HD22      LEU  76  -8.880  -0.988  -0.224
  594   3HD2  LEU  76          HD23      LEU  76  -9.008   0.772  -0.196
  595    H    ILE  77           HN       ILE  77  -4.928  -1.346   0.323
  596    HA   ILE  77           HA       ILE  77  -4.846  -1.938  -2.557
  597    HB   ILE  77           HB       ILE  77  -2.771  -2.966  -0.618
  598   1HG1  ILE  77          HG12      ILE  77  -2.818  -0.548  -2.415
  599   2HG1  ILE  77          HG11      ILE  77  -2.330  -0.653  -0.727
  600   1HG2  ILE  77          HG21      ILE  77  -3.533  -3.926  -3.087
  601   2HG2  ILE  77          HG22      ILE  77  -1.941  -4.162  -2.371
  602   3HG2  ILE  77          HG23      ILE  77  -2.207  -2.842  -3.510
  603   1HD1  ILE  77          HD11      ILE  77  -0.362  -0.416  -2.184
  604   2HD1  ILE  77          HD12      ILE  77  -0.839  -1.862  -3.072
  605   3HD1  ILE  77          HD13      ILE  77  -0.356  -1.986  -1.380
  606    H    ARG  78           HN       ARG  78  -6.599  -3.297  -2.663
  607    HA   ARG  78           HA       ARG  78  -7.303  -5.055  -0.463
  608   1HB   ARG  78          HB2       ARG  78  -9.076  -4.347  -1.915
  609   2HB   ARG  78          HB1       ARG  78  -8.210  -4.905  -3.347
  610   1HG   ARG  78          HG2       ARG  78  -9.001  -7.002  -3.104
  611   2HG   ARG  78          HG1       ARG  78  -8.527  -7.047  -1.406
  612   1HD   ARG  78          HD2       ARG  78 -11.045  -7.242  -1.923
  613   2HD   ARG  78          HD1       ARG  78 -10.567  -6.071  -0.694
  614    HE   ARG  78           HE       ARG  78 -11.463  -4.416  -2.096
  615   1HH1  ARG  78          HH21      ARG  78 -10.694  -7.268  -3.869
  616   2HH1  ARG  78          HH22      ARG  78 -11.078  -6.575  -5.409
  617   1HH2  ARG  78          HH11      ARG  78 -11.845  -3.452  -4.114
  618   2HH2  ARG  78          HH12      ARG  78 -11.729  -4.416  -5.548
  619    H    LYS  79           HN       LYS  79  -6.025  -6.756   0.061
  620    HA   LYS  79           HA       LYS  79  -4.091  -7.990  -1.634
  621   1HB   LYS  79          HB2       LYS  79  -3.913  -8.325   0.734
  622   2HB   LYS  79          HB1       LYS  79  -5.542  -8.993   0.828
  623   1HG   LYS  79          HG2       LYS  79  -3.937 -10.822   0.901
  624   2HG   LYS  79          HG1       LYS  79  -4.798 -10.879  -0.637
  625   1HD   LYS  79          HD2       LYS  79  -2.805  -9.369  -1.472
  626   2HD   LYS  79          HD1       LYS  79  -1.964 -10.064  -0.085
  627   1HE   LYS  79          HE2       LYS  79  -3.340 -11.653  -2.271
  628   2HE   LYS  79          HE1       LYS  79  -1.598 -11.415  -2.128
  629   1HZ   LYS  79          HZ1       LYS  79  -3.384 -13.085  -0.544
  630   2HZ   LYS  79          HZ2       LYS  79  -2.129 -12.307   0.297
  631   3HZ   LYS  79          HZ3       LYS  79  -1.771 -13.348  -0.998
  632    H    GLY  80           HN       GLY  80  -4.317  -9.525  -3.200
  633   1HA   GLY  80          HA2       GLY  80  -6.364 -11.513  -3.266
  634   2HA   GLY  80          HA1       GLY  80  -6.843 -10.169  -4.304
  635    H    GLY  81           HN       GLY  81  -6.589 -12.110  -5.886
  636   1HA   GLY  81          HA2       GLY  81  -4.191 -11.661  -7.432
  637   2HA   GLY  81          HA1       GLY  81  -4.138 -13.232  -6.631
  Start of MODEL    2
    1   1H    MET   1          HT1       MET   1 -21.591   9.304  -0.128
    2   2H    MET   1          HT2       MET   1 -21.143  10.276  -1.448
    3   3H    MET   1          HT3       MET   1 -20.121  10.149  -0.096
    4    HA   MET   1           HA       MET   1 -20.834   7.877  -1.867
    5   1HB   MET   1          HB2       MET   1 -18.593   8.128  -2.811
    6   2HB   MET   1          HB1       MET   1 -19.492   9.630  -3.029
    7   1HG   MET   1          HG2       MET   1 -18.327  10.717  -1.279
    8   2HG   MET   1          HG1       MET   1 -17.721   9.196  -0.624
    9   1HE   MET   1          HE1       MET   1 -14.308   9.391  -1.665
   10   2HE   MET   1          HE2       MET   1 -15.427   8.052  -1.419
   11   3HE   MET   1          HE3       MET   1 -15.531   9.478  -0.390
   12    H    THR   2           HN       THR   2 -18.933   6.216  -1.548
   13    HA   THR   2           HA       THR   2 -18.529   5.947   1.397
   14    HB   THR   2           HB       THR   2 -18.236   3.535   0.935
   15    HG1  THR   2           HG1      THR   2 -19.108   3.926  -1.682
   16   1HG2  THR   2          HG21      THR   2 -20.616   5.060   0.656
   17   2HG2  THR   2          HG22      THR   2 -20.463   3.380   1.170
   18   3HG2  THR   2          HG23      THR   2 -20.687   3.763  -0.537
   19    H    ASP   3           HN       ASP   3 -16.498   6.365   2.097
   20    HA   ASP   3           HA       ASP   3 -14.295   6.820   0.313
   21   1HB   ASP   3          HB2       ASP   3 -12.940   7.001   2.339
   22   2HB   ASP   3          HB1       ASP   3 -14.481   7.823   2.590
   23    H    LEU   4           HN       LEU   4 -12.789   5.402  -0.481
   24    HA   LEU   4           HA       LEU   4 -13.202   2.544  -0.044
   25   1HB   LEU   4          HB2       LEU   4 -11.094   4.065  -1.610
   26   2HB   LEU   4          HB1       LEU   4 -11.270   2.309  -1.615
   27    HG   LEU   4           HG       LEU   4 -13.610   4.086  -2.275
   28   1HD1  LEU   4          HD11      LEU   4 -12.339   3.006  -4.628
   29   2HD1  LEU   4          HD12      LEU   4 -11.189   4.006  -3.740
   30   3HD1  LEU   4          HD13      LEU   4 -12.732   4.685  -4.259
   31   1HD2  LEU   4          HD21      LEU   4 -12.798   1.215  -2.713
   32   2HD2  LEU   4          HD22      LEU   4 -14.030   1.960  -3.729
   33   3HD2  LEU   4          HD23      LEU   4 -14.277   1.844  -1.987
   34    H    PHE   5           HN       PHE   5 -11.279   5.008   1.388
   35    HA   PHE   5           HA       PHE   5  -9.239   3.139   2.385
   36   1HB   PHE   5          HB2       PHE   5  -9.693   6.086   2.499
   37   2HB   PHE   5          HB1       PHE   5  -8.728   5.357   3.783
   38    HD1  PHE   5           HD1      PHE   5  -6.759   6.644   2.912
   39    HD2  PHE   5           HD2      PHE   5  -8.757   3.673   0.557
   40    HE1  PHE   5           HE1      PHE   5  -4.822   6.506   1.381
   41    HE2  PHE   5           HE2      PHE   5  -6.792   3.560  -0.943
   42    HZ   PHE   5           HZ       PHE   5  -4.827   5.028  -0.560
   43    H    SER   6           HN       SER   6 -12.281   3.173   3.118
   44    HA   SER   6           HA       SER   6 -12.730   3.853   5.775
   45   1HB   SER   6          HB2       SER   6 -14.553   2.888   4.630
   46   2HB   SER   6          HB1       SER   6 -13.622   1.473   4.151
   47    HG   SER   6           HG       SER   6 -14.622   0.679   5.851
   48    H    SER   7           HN       SER   7 -12.857   2.102   7.635
   49    HA   SER   7           HA       SER   7 -10.292   1.489   8.522
   50   1HB   SER   7          HB2       SER   7 -11.324  -0.120  10.052
   51   2HB   SER   7          HB1       SER   7 -12.351   1.304   9.910
   52    HG   SER   7           HG       SER   7 -13.653   0.170   8.475
   53    HA   PRO   8           HA       PRO   8  -9.447  -1.633   5.370
   54   1HB   PRO   8          HB2       PRO   8  -6.720  -1.473   5.657
   55   2HB   PRO   8          HB1       PRO   8  -7.668  -0.371   4.649
   56   1HG   PRO   8          HG2       PRO   8  -6.437   0.124   7.323
   57   2HG   PRO   8          HG1       PRO   8  -6.790   1.272   6.021
   58   1HD   PRO   8          HD2       PRO   8  -8.330   0.920   8.358
   59   2HD   PRO   8          HD1       PRO   8  -8.857   1.766   6.887
   60    H    ASP   9           HN       ASP   9  -8.235  -3.744   5.508
   61    HA   ASP   9           HA       ASP   9  -8.630  -4.948   8.143
   62   1HB   ASP   9          HB2       ASP   9  -7.530  -6.078   5.552
   63   2HB   ASP   9          HB1       ASP   9  -7.859  -7.032   6.999
   64    H    HIS  10           HN       HIS  10  -5.987  -3.609   6.338
   65    HA   HIS  10           HA       HIS  10  -4.174  -4.216   8.609
   66   1HB   HIS  10          HB2       HIS  10  -3.805  -5.054   5.742
   67   2HB   HIS  10          HB1       HIS  10  -2.407  -4.719   6.757
   68    HD1  HIS  10           HD1      HIS  10  -1.586  -6.686   8.053
   69    HD2  HIS  10           HD2      HIS  10  -5.645  -7.017   7.156
   70    HE1  HIS  10           HE1      HIS  10  -2.334  -8.936   8.943
   71    H    THR  11           HN       THR  11  -2.000  -2.943   8.173
   72    HA   THR  11           HA       THR  11  -2.450  -0.513   6.538
   73    HB   THR  11           HB       THR  11  -1.688  -0.426   9.456
   74    HG1  THR  11           HG1      THR  11  -3.739   0.399   9.765
   75   1HG2  THR  11          HG21      THR  11  -1.989   2.031   9.147
   76   2HG2  THR  11          HG22      THR  11  -2.247   1.751   7.424
   77   3HG2  THR  11          HG23      THR  11  -0.684   1.380   8.154
   78    H    LEU  12           HN       LEU  12  -0.416   0.732   6.300
   79    HA   LEU  12           HA       LEU  12   2.064  -0.694   7.080
   80   1HB   LEU  12          HB2       LEU  12   1.747  -1.665   4.925
   81   2HB   LEU  12          HB1       LEU  12   1.220  -0.132   4.242
   82    HG   LEU  12           HG       LEU  12   3.438   0.776   4.226
   83   1HD1  LEU  12          HD11      LEU  12   5.285  -0.659   5.416
   84   2HD1  LEU  12          HD12      LEU  12   3.935  -1.336   6.327
   85   3HD1  LEU  12          HD13      LEU  12   4.265   0.393   6.390
   86   1HD2  LEU  12          HD21      LEU  12   4.882  -1.218   3.402
   87   2HD2  LEU  12          HD22      LEU  12   3.429  -0.818   2.493
   88   3HD2  LEU  12          HD23      LEU  12   3.421  -2.180   3.612
   89    H    ASP  13           HN       ASP  13   3.026   0.980   8.172
   90    HA   ASP  13           HA       ASP  13   2.739   3.748   7.282
   91   1HB   ASP  13          HB2       ASP  13   3.133   3.133   9.682
   92   2HB   ASP  13          HB1       ASP  13   4.740   2.558   9.236
   93    H    ALA  14           HN       ALA  14   4.160   4.825   5.867
   94    HA   ALA  14           HA       ALA  14   6.714   3.449   5.264
   95   1HB   ALA  14          HB1       ALA  14   4.581   3.079   3.601
   96   2HB   ALA  14          HB2       ALA  14   6.273   2.940   3.127
   97   3HB   ALA  14          HB3       ALA  14   5.401   4.448   2.849
   98    H    LEU  15           HN       LEU  15   5.501   5.841   6.534
   99    HA   LEU  15           HA       LEU  15   6.544   8.155   5.152
  100   1HB   LEU  15          HB2       LEU  15   5.879   7.968   8.080
  101   2HB   LEU  15          HB1       LEU  15   5.781   9.339   6.998
  102    HG   LEU  15           HG       LEU  15   4.058   6.902   6.643
  103   1HD1  LEU  15          HD11      LEU  15   2.359   8.821   7.525
  104   2HD1  LEU  15          HD12      LEU  15   3.795   9.223   8.468
  105   3HD1  LEU  15          HD13      LEU  15   3.086   7.612   8.584
  106   1HD2  LEU  15          HD21      LEU  15   3.671   7.965   4.689
  107   2HD2  LEU  15          HD22      LEU  15   4.532   9.408   5.227
  108   3HD2  LEU  15          HD23      LEU  15   2.833   9.187   5.644
  109    H    GLY  16           HN       GLY  16   8.689   8.207   4.964
  110   1HA   GLY  16          HA2       GLY  16  10.905   8.546   5.864
  111   2HA   GLY  16          HA1       GLY  16  10.359   7.824   7.385
  112    H    LEU  17           HN       LEU  17   9.062   5.928   5.054
  113    HA   LEU  17           HA       LEU  17  11.188   3.894   5.296
  114   1HB   LEU  17          HB2       LEU  17   8.352   3.779   4.221
  115   2HB   LEU  17          HB1       LEU  17   9.464   2.416   4.223
  116    HG   LEU  17           HG       LEU  17   8.030   3.703   6.493
  117   1HD1  LEU  17          HD11      LEU  17   7.486   1.485   5.352
  118   2HD1  LEU  17          HD12      LEU  17   7.703   1.395   7.101
  119   3HD1  LEU  17          HD13      LEU  17   8.996   0.869   6.022
  120   1HD2  LEU  17          HD21      LEU  17   9.658   2.756   8.082
  121   2HD2  LEU  17          HD22      LEU  17  10.385   4.023   7.091
  122   3HD2  LEU  17          HD23      LEU  17  10.712   2.327   6.734
  123    H    ARG  18           HN       ARG  18  12.088   2.992   3.378
  124    HA   ARG  18           HA       ARG  18  11.216   4.316   0.881
  125   1HB   ARG  18          HB2       ARG  18  13.712   4.656   0.323
  126   2HB   ARG  18          HB1       ARG  18  12.910   5.778   1.423
  127   1HG   ARG  18          HG2       ARG  18  13.832   4.631   3.358
  128   2HG   ARG  18          HG1       ARG  18  14.528   3.381   2.326
  129   1HD   ARG  18          HD2       ARG  18  15.894   5.158   1.196
  130   2HD   ARG  18          HD1       ARG  18  15.286   6.315   2.381
  131    HE   ARG  18           HE       ARG  18  17.158   4.086   2.949
  132   1HH1  ARG  18          HH11      ARG  18  14.916   4.874   5.008
  133   2HH1  ARG  18          HH12      ARG  18  15.851   5.864   6.078
  134   1HH2  ARG  18          HH21      ARG  18  18.519   6.178   3.886
  135   2HH2  ARG  18          HH22      ARG  18  17.890   6.601   5.444
  136    H    CYS  19           HN       CYS  19  11.707   3.106  -0.969
  137    HA   CYS  19           HA       CYS  19  11.561   0.326  -0.768
  138   1HB   CYS  19          HB2       CYS  19  11.196   1.314  -2.891
  139   2HB   CYS  19          HB1       CYS  19  12.800   2.037  -2.926
  140    HG   CYS  19           HG       CYS  19  13.813  -0.362  -3.234
  141    HA   PRO  20           HA       PRO  20  12.006  -1.475  -1.370
  142   1HB   PRO  20          HB2       PRO  20  12.867  -3.840  -0.312
  143   2HB   PRO  20          HB1       PRO  20  13.429  -3.229  -1.878
  144   1HG   PRO  20          HG2       PRO  20  14.881  -3.345   0.716
  145   2HG   PRO  20          HG1       PRO  20  15.531  -3.301  -0.928
  146   1HD   PRO  20          HD2       PRO  20  15.352  -1.122   0.906
  147   2HD   PRO  20          HD1       PRO  20  15.846  -1.045  -0.799
  148    H    GLU  21           HN       GLU  21  13.005  -0.432   1.625
  149    HA   GLU  21           HA       GLU  21  11.896  -2.122   3.530
  150   1HB   GLU  21          HB2       GLU  21  12.315   0.799   3.471
  151   2HB   GLU  21          HB1       GLU  21  11.450   0.101   4.831
  152   1HG   GLU  21          HG2       GLU  21  13.306  -0.982   5.628
  153   2HG   GLU  21          HG1       GLU  21  13.957  -1.272   4.015
  154    HA   PRO  22           HA       PRO  22   7.667   0.029   3.339
  155   1HB   PRO  22          HB2       PRO  22   7.110   1.283   0.949
  156   2HB   PRO  22          HB1       PRO  22   7.742   2.112   2.368
  157   1HG   PRO  22          HG2       PRO  22   9.159   1.321  -0.129
  158   2HG   PRO  22          HG1       PRO  22   9.494   2.669   0.971
  159   1HD   PRO  22          HD2       PRO  22  10.926   0.280   0.896
  160   2HD   PRO  22          HD1       PRO  22  10.924   1.405   2.262
  161    H    VAL  23           HN       VAL  23   8.495  -0.547  -0.052
  162    HA   VAL  23           HA       VAL  23   6.394  -2.253  -0.768
  163    HB   VAL  23           HB       VAL  23   9.318  -2.575  -1.494
  164   1HG1  VAL  23          HG11      VAL  23   8.120  -3.365  -3.692
  165   2HG1  VAL  23          HG12      VAL  23   6.737  -3.623  -2.628
  166   3HG1  VAL  23          HG13      VAL  23   8.248  -4.482  -2.333
  167   1HG2  VAL  23          HG21      VAL  23   9.147  -0.758  -2.849
  168   2HG2  VAL  23          HG22      VAL  23   7.736  -0.336  -1.879
  169   3HG2  VAL  23          HG23      VAL  23   7.534  -1.214  -3.395
  170    H    MET  24           HN       MET  24   9.133  -2.814   1.352
  171    HA   MET  24           HA       MET  24   8.957  -5.713   1.324
  172   1HB   MET  24          HB2       MET  24  10.314  -3.665   3.035
  173   2HB   MET  24          HB1       MET  24  10.175  -5.315   3.639
  174   1HG   MET  24          HG2       MET  24  11.005  -5.285   0.854
  175   2HG   MET  24          HG1       MET  24  12.113  -4.352   1.859
  176   1HE   MET  24          HE1       MET  24  14.126  -7.567   1.650
  177   2HE   MET  24          HE2       MET  24  14.170  -5.807   1.705
  178   3HE   MET  24          HE3       MET  24  13.274  -6.618   0.423
  179    H    MET  25           HN       MET  25   7.677  -3.197   3.509
  180    HA   MET  25           HA       MET  25   6.502  -4.949   5.408
  181   1HB   MET  25          HB2       MET  25   6.022  -2.133   4.540
  182   2HB   MET  25          HB1       MET  25   4.782  -2.911   5.524
  183   1HG   MET  25          HG2       MET  25   6.512  -1.690   6.878
  184   2HG   MET  25          HG1       MET  25   6.395  -3.406   7.267
  185   1HE   MET  25          HE1       MET  25   9.913  -4.185   7.471
  186   2HE   MET  25          HE2       MET  25   8.350  -4.977   7.297
  187   3HE   MET  25          HE3       MET  25   8.517  -3.604   8.387
  188    H    VAL  26           HN       VAL  26   5.193  -3.586   2.388
  189    HA   VAL  26           HA       VAL  26   2.591  -4.776   2.622
  190    HB   VAL  26           HB       VAL  26   4.200  -3.992   0.183
  191   1HG1  VAL  26          HG11      VAL  26   1.243  -4.101   0.022
  192   2HG1  VAL  26          HG12      VAL  26   2.032  -5.670   0.134
  193   3HG1  VAL  26          HG13      VAL  26   2.449  -4.570  -1.173
  194   1HG2  VAL  26          HG21      VAL  26   3.696  -1.948   1.061
  195   2HG2  VAL  26          HG22      VAL  26   2.432  -2.605   2.103
  196   3HG2  VAL  26          HG23      VAL  26   2.092  -2.266   0.405
  197    H    ARG  27           HN       ARG  27   5.690  -6.060   1.605
  198    HA   ARG  27           HA       ARG  27   4.606  -8.403   0.260
  199   1HB   ARG  27          HB2       ARG  27   7.326  -7.674   1.311
  200   2HB   ARG  27          HB1       ARG  27   6.983  -9.331   0.797
  201   1HG   ARG  27          HG2       ARG  27   6.312  -6.988  -0.966
  202   2HG   ARG  27          HG1       ARG  27   7.924  -7.691  -0.967
  203   1HD   ARG  27          HD2       ARG  27   5.360  -9.224  -1.475
  204   2HD   ARG  27          HD1       ARG  27   6.494  -8.703  -2.721
  205    HE   ARG  27           HE       ARG  27   8.074 -10.164  -0.992
  206   1HH1  ARG  27          HH21      ARG  27   5.426 -11.583  -0.412
  207   2HH1  ARG  27          HH22      ARG  27   5.500 -12.892  -1.543
  208   1HH2  ARG  27          HH11      ARG  27   8.042 -11.473  -3.427
  209   2HH2  ARG  27          HH12      ARG  27   6.982 -12.830  -3.250
  210    H    LYS  28           HN       LYS  28   5.657  -7.745   3.553
  211    HA   LYS  28           HA       LYS  28   5.342 -10.523   4.415
  212   1HB   LYS  28          HB2       LYS  28   6.091  -7.938   5.702
  213   2HB   LYS  28          HB1       LYS  28   5.378  -9.168   6.747
  214   1HG   LYS  28          HG2       LYS  28   7.480 -10.101   4.863
  215   2HG   LYS  28          HG1       LYS  28   8.021  -9.080   6.197
  216   1HD   LYS  28          HD2       LYS  28   6.098 -11.202   6.941
  217   2HD   LYS  28          HD1       LYS  28   7.677 -11.775   6.404
  218   1HE   LYS  28          HE2       LYS  28   8.754 -10.217   8.028
  219   2HE   LYS  28          HE1       LYS  28   7.153  -9.764   8.611
  220   1HZ   LYS  28          HZ1       LYS  28   8.701 -12.088   9.195
  221   2HZ   LYS  28          HZ2       LYS  28   7.148 -12.495   8.639
  222   3HZ   LYS  28          HZ3       LYS  28   7.332 -11.478   9.989
  223    H    THR  29           HN       THR  29   3.506  -7.614   4.294
  224    HA   THR  29           HA       THR  29   1.274  -8.535   5.932
  225    HB   THR  29           HB       THR  29   2.033  -6.190   4.280
  226    HG1  THR  29           HG1      THR  29   0.523  -6.094   6.619
  227   1HG2  THR  29          HG21      THR  29  -0.865  -6.605   5.025
  228   2HG2  THR  29          HG22      THR  29  -0.229  -6.845   3.398
  229   3HG2  THR  29          HG23      THR  29  -0.166  -5.251   4.139
  230    H    VAL  30           HN       VAL  30   2.213  -8.319   2.590
  231    HA   VAL  30           HA       VAL  30  -0.270  -9.222   1.423
  232    HB   VAL  30           HB       VAL  30   2.600  -8.938   0.530
  233   1HG1  VAL  30          HG11      VAL  30   1.827  -9.725  -1.739
  234   2HG1  VAL  30          HG12      VAL  30   0.398 -10.378  -0.938
  235   3HG1  VAL  30          HG13      VAL  30   1.999 -10.990  -0.521
  236   1HG2  VAL  30          HG21      VAL  30   0.858  -7.048   0.541
  237   2HG2  VAL  30          HG22      VAL  30   0.082  -7.913  -0.783
  238   3HG2  VAL  30          HG23      VAL  30   1.730  -7.313  -0.970
  239    H    ARG  31           HN       ARG  31   2.642 -10.659   2.680
  240    HA   ARG  31           HA       ARG  31   2.068 -13.373   1.820
  241   1HB   ARG  31          HB2       ARG  31   3.950 -12.195   3.878
  242   2HB   ARG  31          HB1       ARG  31   3.871 -13.921   3.520
  243   1HG   ARG  31          HG2       ARG  31   4.756 -13.661   1.383
  244   2HG   ARG  31          HG1       ARG  31   4.213 -11.993   1.244
  245   1HD   ARG  31          HD2       ARG  31   6.294 -11.357   1.829
  246   2HD   ARG  31          HD1       ARG  31   5.967 -12.003   3.437
  247    HE   ARG  31           HE       ARG  31   7.352 -13.493   1.253
  248   1HH1  ARG  31          HH21      ARG  31   5.856 -13.707   4.301
  249   2HH1  ARG  31          HH22      ARG  31   7.104 -14.671   5.017
  250   1HH2  ARG  31          HH11      ARG  31   9.207 -14.468   2.270
  251   2HH2  ARG  31          HH12      ARG  31   9.000 -15.101   3.869
  252    H    ASN  32           HN       ASN  32   1.386 -11.338   4.610
  253    HA   ASN  32           HA       ASN  32   0.126 -13.678   5.974
  254   1HB   ASN  32          HB2       ASN  32   0.093 -12.326   7.984
  255   2HB   ASN  32          HB1       ASN  32   1.706 -12.236   7.281
  256   1HD2  ASN  32          HD21      ASN  32   1.997 -10.132   8.402
  257   2HD2  ASN  32          HD22      ASN  32   1.278  -8.728   7.777
  258    H    MET  33           HN       MET  33  -0.782 -11.482   3.747
  259    HA   MET  33           HA       MET  33  -3.374 -10.767   4.969
  260   1HB   MET  33          HB2       MET  33  -1.896  -9.962   2.515
  261   2HB   MET  33          HB1       MET  33  -3.655  -9.924   2.429
  262   1HG   MET  33          HG2       MET  33  -3.344  -8.715   4.800
  263   2HG   MET  33          HG1       MET  33  -1.806  -8.267   4.080
  264   1HE   MET  33          HE1       MET  33  -5.680  -7.985   3.952
  265   2HE   MET  33          HE2       MET  33  -5.276  -9.037   2.598
  266   3HE   MET  33          HE3       MET  33  -5.961  -7.444   2.292
  267    H    GLN  34           HN       GLN  34  -5.263 -11.015   3.275
  268    HA   GLN  34           HA       GLN  34  -5.191 -13.746   2.082
  269   1HB   GLN  34          HB2       GLN  34  -7.401 -12.579   3.808
  270   2HB   GLN  34          HB1       GLN  34  -7.504 -14.106   2.930
  271   1HG   GLN  34          HG2       GLN  34  -5.276 -14.665   4.212
  272   2HG   GLN  34          HG1       GLN  34  -5.828 -13.409   5.321
  273   1HE2  GLN  34          HE21      GLN  34  -7.124 -14.193   6.982
  274   2HE2  GLN  34          HE22      GLN  34  -8.094 -15.583   6.893
  275    HA   PRO  35           HA       PRO  35  -6.931 -11.674  -1.339
  276   1HB   PRO  35          HB2       PRO  35  -8.398 -13.724  -2.460
  277   2HB   PRO  35          HB1       PRO  35  -6.638 -13.574  -2.590
  278   1HG   PRO  35          HG2       PRO  35  -8.248 -15.404  -0.855
  279   2HG   PRO  35          HG1       PRO  35  -6.635 -15.648  -1.548
  280   1HD   PRO  35          HD2       PRO  35  -7.142 -14.936   1.117
  281   2HD   PRO  35          HD1       PRO  35  -5.587 -14.721   0.284
  282    H    GLY  36           HN       GLY  36  -8.566 -10.244  -1.311
  283   1HA   GLY  36          HA2       GLY  36 -10.949  -9.714  -1.408
  284   2HA   GLY  36          HA1       GLY  36 -11.253 -11.111  -0.365
  285    H    GLU  37           HN       GLU  37  -8.482  -9.181   0.340
  286    HA   GLU  37           HA       GLU  37  -9.944  -7.982   2.658
  287   1HB   GLU  37          HB2       GLU  37  -7.237  -9.265   2.412
  288   2HB   GLU  37          HB1       GLU  37  -7.532  -8.060   3.659
  289   1HG   GLU  37          HG2       GLU  37  -9.140 -10.594   3.235
  290   2HG   GLU  37          HG1       GLU  37  -7.971 -10.323   4.528
  291    H    THR  38           HN       THR  38  -8.220  -6.130   3.560
  292    HA   THR  38           HA       THR  38  -7.307  -4.566   1.201
  293    HB   THR  38           HB       THR  38  -8.332  -2.537   2.556
  294    HG1  THR  38           HG1      THR  38  -9.457  -3.258   4.163
  295   1HG2  THR  38          HG21      THR  38 -10.068  -2.516   0.991
  296   2HG2  THR  38          HG22      THR  38 -10.288  -4.263   1.068
  297   3HG2  THR  38          HG23      THR  38  -8.894  -3.586   0.227
  298    H    LEU  39           HN       LEU  39  -5.767  -2.918   1.708
  299    HA   LEU  39           HA       LEU  39  -4.607  -2.948   4.450
  300   1HB   LEU  39          HB2       LEU  39  -3.323  -4.651   3.336
  301   2HB   LEU  39          HB1       LEU  39  -3.164  -3.665   1.882
  302    HG   LEU  39           HG       LEU  39  -2.059  -1.957   3.621
  303   1HD1  LEU  39          HD11      LEU  39  -0.567  -3.640   5.047
  304   2HD1  LEU  39          HD12      LEU  39  -2.021  -4.630   4.932
  305   3HD1  LEU  39          HD13      LEU  39  -2.102  -3.024   5.655
  306   1HD2  LEU  39          HD21      LEU  39  -0.989  -2.898   1.597
  307   2HD2  LEU  39          HD22      LEU  39  -0.641  -4.383   2.481
  308   3HD2  LEU  39          HD23      LEU  39   0.130  -2.872   2.960
  309    H    LEU  40           HN       LEU  40  -4.483  -0.777   4.952
  310    HA   LEU  40           HA       LEU  40  -4.283   1.221   2.794
  311   1HB   LEU  40          HB2       LEU  40  -5.797   1.842   4.541
  312   2HB   LEU  40          HB1       LEU  40  -4.643   1.397   5.797
  313    HG   LEU  40           HG       LEU  40  -3.126   3.211   4.982
  314   1HD1  LEU  40          HD11      LEU  40  -4.295   3.177   2.664
  315   2HD1  LEU  40          HD12      LEU  40  -3.803   4.739   3.318
  316   3HD1  LEU  40          HD13      LEU  40  -5.491   4.235   3.414
  317   1HD2  LEU  40          HD21      LEU  40  -4.163   4.765   6.320
  318   2HD2  LEU  40          HD22      LEU  40  -5.210   3.395   6.691
  319   3HD2  LEU  40          HD23      LEU  40  -5.713   4.592   5.497
  320    H    ILE  41           HN       ILE  41  -2.411   2.517   2.497
  321    HA   ILE  41           HA       ILE  41  -0.076   1.852   4.234
  322    HB   ILE  41           HB       ILE  41   0.135   2.014   1.230
  323   1HG1  ILE  41          HG12      ILE  41  -0.715  -0.291   2.983
  324   2HG1  ILE  41          HG11      ILE  41  -1.368   0.227   1.438
  325   1HG2  ILE  41          HG21      ILE  41   1.940   0.227   2.611
  326   2HG2  ILE  41          HG22      ILE  41   1.974   1.816   3.366
  327   3HG2  ILE  41          HG23      ILE  41   2.316   1.650   1.645
  328   1HD1  ILE  41          HD11      ILE  41  -0.156  -1.524   0.635
  329   2HD1  ILE  41          HD12      ILE  41   0.961  -1.505   1.998
  330   3HD1  ILE  41          HD13      ILE  41   1.162  -0.353   0.679
  331    H    ILE  42           HN       ILE  42   0.976   3.726   4.863
  332    HA   ILE  42           HA       ILE  42   0.459   6.156   3.237
  333    HB   ILE  42           HB       ILE  42   1.824   6.091   5.924
  334   1HG1  ILE  42          HG12      ILE  42  -1.092   5.819   5.249
  335   2HG1  ILE  42          HG11      ILE  42  -0.164   5.022   6.522
  336   1HG2  ILE  42          HG21      ILE  42   0.048   8.189   4.646
  337   2HG2  ILE  42          HG22      ILE  42   1.791   8.149   4.413
  338   3HG2  ILE  42          HG23      ILE  42   1.127   8.390   6.023
  339   1HD1  ILE  42          HD11      ILE  42   0.104   7.258   7.622
  340   2HD1  ILE  42          HD12      ILE  42  -1.566   6.691   7.556
  341   3HD1  ILE  42          HD13      ILE  42  -1.005   7.921   6.422
  342    H    ALA  43           HN       ALA  43   2.392   7.518   2.877
  343    HA   ALA  43           HA       ALA  43   5.005   6.291   3.222
  344   1HB   ALA  43          HB1       ALA  43   4.476   6.748   0.352
  345   2HB   ALA  43          HB2       ALA  43   3.633   5.364   1.046
  346   3HB   ALA  43          HB3       ALA  43   5.392   5.462   1.136
  347    H    ASP  44           HN       ASP  44   6.402   7.953   3.418
  348    HA   ASP  44           HA       ASP  44   5.547  10.554   2.256
  349   1HB   ASP  44          HB2       ASP  44   6.611  11.669   3.960
  350   2HB   ASP  44          HB1       ASP  44   6.205  10.202   4.827
  351    H    ASP  45           HN       ASP  45   7.860   8.000   2.329
  352    HA   ASP  45           HA       ASP  45   9.968   9.259   0.871
  353   1HB   ASP  45          HB2       ASP  45  10.474   7.196   1.787
  354   2HB   ASP  45          HB1       ASP  45   8.966   6.494   1.237
  355    HA   PRO  46           HA       PRO  46   7.895   9.832  -2.989
  356   1HB   PRO  46          HB2       PRO  46  10.127  10.290  -4.526
  357   2HB   PRO  46          HB1       PRO  46   9.441  11.490  -3.416
  358   1HG   PRO  46          HG2       PRO  46  11.903   9.839  -3.109
  359   2HG   PRO  46          HG1       PRO  46  11.509  11.409  -2.391
  360   1HD   PRO  46          HD2       PRO  46  11.379   8.902  -1.082
  361   2HD   PRO  46          HD1       PRO  46  10.697  10.425  -0.488
  362    H    ALA  47           HN       ALA  47  10.294   7.422  -2.456
  363    HA   ALA  47           HA       ALA  47   9.877   6.116  -5.074
  364   1HB   ALA  47          HB1       ALA  47  12.126   6.111  -4.035
  365   2HB   ALA  47          HB2       ALA  47  11.519   4.471  -4.260
  366   3HB   ALA  47          HB3       ALA  47  11.482   5.213  -2.661
  367    H    THR  48           HN       THR  48   8.173   6.215  -2.220
  368    HA   THR  48           HA       THR  48   7.428   3.358  -2.208
  369    HB   THR  48           HB       THR  48   5.741   4.275  -0.440
  370    HG1  THR  48           HG1      THR  48   7.493   6.339  -0.010
  371   1HG2  THR  48          HG21      THR  48   8.360   4.824   0.691
  372   2HG2  THR  48          HG22      THR  48   8.384   3.390  -0.334
  373   3HG2  THR  48          HG23      THR  48   7.258   3.487   1.020
  374    H    THR  49           HN       THR  49   6.008   6.499  -3.048
  375    HA   THR  49           HA       THR  49   3.378   5.613  -3.650
  376    HB   THR  49           HB       THR  49   3.062   7.662  -4.677
  377    HG1  THR  49           HG1      THR  49   4.147   7.574  -6.502
  378   1HG2  THR  49          HG21      THR  49   4.158   9.239  -3.427
  379   2HG2  THR  49          HG22      THR  49   5.743   8.521  -3.718
  380   3HG2  THR  49          HG23      THR  49   4.656   7.807  -2.526
  381    H    ARG  50           HN       ARG  50   6.388   5.407  -5.430
  382    HA   ARG  50           HA       ARG  50   4.957   4.271  -7.773
  383   1HB   ARG  50          HB2       ARG  50   7.804   5.135  -7.293
  384   2HB   ARG  50          HB1       ARG  50   7.317   4.273  -8.752
  385   1HG   ARG  50          HG2       ARG  50   5.388   6.250  -8.526
  386   2HG   ARG  50          HG1       ARG  50   6.861   7.069  -8.006
  387   1HD   ARG  50          HD2       ARG  50   7.984   6.550 -10.053
  388   2HD   ARG  50          HD1       ARG  50   6.727   5.409 -10.531
  389    HE   ARG  50           HE       ARG  50   6.531   8.357 -10.671
  390   1HH1  ARG  50          HH21      ARG  50   4.855   5.363 -10.521
  391   2HH1  ARG  50          HH22      ARG  50   3.604   5.850 -11.615
  392   1HH2  ARG  50          HH11      ARG  50   5.009   8.953 -12.263
  393   2HH2  ARG  50          HH12      ARG  50   3.691   7.881 -12.602
  394    H    ASP  51           HN       ASP  51   7.354   3.262  -5.361
  395    HA   ASP  51           HA       ASP  51   7.631   0.636  -6.627
  396   1HB   ASP  51          HB2       ASP  51   8.710   1.717  -4.012
  397   2HB   ASP  51          HB1       ASP  51   9.167   0.171  -4.737
  398    H    ILE  52           HN       ILE  52   6.236   1.773  -3.523
  399    HA   ILE  52           HA       ILE  52   5.590  -0.772  -2.518
  400    HB   ILE  52           HB       ILE  52   4.537   1.969  -2.083
  401   1HG1  ILE  52          HG12      ILE  52   5.652  -0.288  -0.421
  402   2HG1  ILE  52          HG11      ILE  52   6.376   1.286  -0.753
  403   1HG2  ILE  52          HG21      ILE  52   3.087  -0.505  -1.080
  404   2HG2  ILE  52          HG22      ILE  52   2.443   0.658  -2.239
  405   3HG2  ILE  52          HG23      ILE  52   2.753   1.153  -0.575
  406   1HD1  ILE  52          HD11      ILE  52   4.686   2.408   0.577
  407   2HD1  ILE  52          HD12      ILE  52   5.381   1.110   1.547
  408   3HD1  ILE  52          HD13      ILE  52   3.801   0.899   0.797
  409    HA   PRO  53           HA       PRO  53   1.462  -0.657  -4.814
  410   1HB   PRO  53          HB2       PRO  53   1.275   1.105  -6.910
  411   2HB   PRO  53          HB1       PRO  53   0.688   1.429  -5.268
  412   1HG   PRO  53          HG2       PRO  53   3.105   2.487  -6.655
  413   2HG   PRO  53          HG1       PRO  53   2.170   3.205  -5.332
  414   1HD   PRO  53          HD2       PRO  53   4.643   1.881  -5.068
  415   2HD   PRO  53          HD1       PRO  53   3.532   2.272  -3.736
  416    H    GLY  54           HN       GLY  54   4.065   0.439  -7.015
  417   1HA   GLY  54          HA2       GLY  54   3.515  -1.277  -9.160
  418   2HA   GLY  54          HA1       GLY  54   5.163  -0.814  -8.698
  419    H    PHE  55           HN       PHE  55   4.695  -2.002  -5.956
  420    HA   PHE  55           HA       PHE  55   5.537  -4.716  -6.663
  421   1HB   PHE  55          HB2       PHE  55   6.657  -4.078  -4.747
  422   2HB   PHE  55          HB1       PHE  55   5.318  -3.090  -4.168
  423    HD1  PHE  55           HD1      PHE  55   5.308  -6.682  -5.238
  424    HD2  PHE  55           HD2      PHE  55   4.871  -3.891  -2.013
  425    HE1  PHE  55           HE1      PHE  55   4.534  -8.507  -3.762
  426    HE2  PHE  55           HE2      PHE  55   4.111  -5.724  -0.557
  427    HZ   PHE  55           HZ       PHE  55   3.925  -8.028  -1.418
  428    H    CYS  56           HN       CYS  56   2.739  -3.333  -4.850
  429    HA   CYS  56           HA       CYS  56   1.361  -5.748  -4.444
  430   1HB   CYS  56          HB2       CYS  56   0.415  -2.932  -4.949
  431   2HB   CYS  56          HB1       CYS  56  -0.731  -4.246  -4.674
  432    HG   CYS  56           HG       CYS  56  -0.079  -4.342  -2.268
  433    H    THR  57           HN       THR  57   1.491  -3.737  -7.359
  434    HA   THR  57           HA       THR  57  -0.517  -5.200  -8.802
  435    HB   THR  57           HB       THR  57   1.877  -3.683  -9.880
  436    HG1  THR  57           HG1      THR  57   0.268  -2.026 -10.095
  437   1HG2  THR  57          HG21      THR  57  -0.253  -3.492 -11.655
  438   2HG2  THR  57          HG22      THR  57  -0.304  -5.173 -11.123
  439   3HG2  THR  57          HG23      THR  57   1.164  -4.522 -11.850
  440    H    PHE  58           HN       PHE  58   2.948  -5.665  -8.358
  441    HA   PHE  58           HA       PHE  58   3.252  -7.716 -10.353
  442   1HB   PHE  58          HB2       PHE  58   5.026  -6.286  -8.998
  443   2HB   PHE  58          HB1       PHE  58   4.968  -7.666  -7.902
  444    HD1  PHE  58           HD1      PHE  58   6.544  -6.368 -10.763
  445    HD2  PHE  58           HD2      PHE  58   5.017 -10.040  -9.140
  446    HE1  PHE  58           HE1      PHE  58   8.008  -7.654 -12.297
  447    HE2  PHE  58           HE2      PHE  58   6.480 -11.326 -10.675
  448    HZ   PHE  58           HZ       PHE  58   7.976 -10.133 -12.253
  449    H    MET  59           HN       MET  59   2.216  -7.791  -6.972
  450    HA   MET  59           HA       MET  59   2.385 -10.727  -6.926
  451   1HB   MET  59          HB2       MET  59   1.893  -8.622  -4.938
  452   2HB   MET  59          HB1       MET  59   1.162 -10.188  -4.620
  453   1HG   MET  59          HG2       MET  59   4.087  -9.731  -5.261
  454   2HG   MET  59          HG1       MET  59   3.440 -10.014  -3.645
  455   1HE   MET  59          HE1       MET  59   5.422 -11.688  -6.170
  456   2HE   MET  59          HE2       MET  59   5.443 -13.167  -5.214
  457   3HE   MET  59          HE3       MET  59   5.658 -11.610  -4.420
  458    H    GLU  60           HN       GLU  60   0.240  -8.743  -8.337
  459    HA   GLU  60           HA       GLU  60  -1.871  -9.305  -9.250
  460   1HB   GLU  60          HB2       GLU  60  -1.049 -11.734  -8.639
  461   2HB   GLU  60          HB1       GLU  60  -2.206 -11.573  -7.318
  462   1HG   GLU  60          HG2       GLU  60  -3.633 -12.396  -8.925
  463   2HG   GLU  60          HG1       GLU  60  -3.759 -10.681  -9.314
  464    H    HIS  61           HN       HIS  61  -1.319  -7.707  -6.737
  465    HA   HIS  61           HA       HIS  61  -3.867  -8.025  -5.276
  466   1HB   HIS  61          HB2       HIS  61  -1.563  -6.117  -4.774
  467   2HB   HIS  61          HB1       HIS  61  -2.890  -6.486  -3.678
  468    HD1  HIS  61           HD1      HIS  61  -2.503  -9.613  -4.939
  469    HD2  HIS  61           HD2      HIS  61   0.040  -7.336  -2.551
  470    HE1  HIS  61           HE1      HIS  61  -0.936 -11.241  -3.819
  471    H    GLU  62           HN       GLU  62  -4.893  -5.726  -4.725
  472    HA   GLU  62           HA       GLU  62  -4.920  -4.180  -7.285
  473   1HB   GLU  62          HB2       GLU  62  -7.102  -5.223  -5.567
  474   2HB   GLU  62          HB1       GLU  62  -7.352  -3.651  -6.308
  475   1HG   GLU  62          HG2       GLU  62  -6.677  -4.722  -8.519
  476   2HG   GLU  62          HG1       GLU  62  -6.768  -6.280  -7.696
  477    H    LEU  63           HN       LEU  63  -5.000  -1.991  -7.148
  478    HA   LEU  63           HA       LEU  63  -4.345  -0.762  -4.536
  479   1HB   LEU  63          HB2       LEU  63  -3.011   0.231  -6.189
  480   2HB   LEU  63          HB1       LEU  63  -4.261   0.090  -7.422
  481    HG   LEU  63           HG       LEU  63  -5.563   1.855  -6.070
  482   1HD1  LEU  63          HD11      LEU  63  -4.602   2.869  -4.276
  483   2HD1  LEU  63          HD12      LEU  63  -3.008   2.888  -5.029
  484   3HD1  LEU  63          HD13      LEU  63  -3.581   1.433  -4.214
  485   1HD2  LEU  63          HD21      LEU  63  -3.126   3.230  -6.950
  486   2HD2  LEU  63          HD22      LEU  63  -4.769   3.343  -7.581
  487   3HD2  LEU  63          HD23      LEU  63  -3.708   2.038  -8.112
  488    H    VAL  64           HN       VAL  64  -6.283  -0.678  -3.335
  489    HA   VAL  64           HA       VAL  64  -8.796  -0.350  -4.631
  490    HB   VAL  64           HB       VAL  64  -7.880  -0.226  -1.759
  491   1HG1  VAL  64          HG11      VAL  64 -10.607  -0.056  -3.014
  492   2HG1  VAL  64          HG12      VAL  64  -9.893   1.031  -1.821
  493   3HG1  VAL  64          HG13      VAL  64 -10.368  -0.606  -1.357
  494   1HG2  VAL  64          HG21      VAL  64  -8.179  -2.465  -1.787
  495   2HG2  VAL  64          HG22      VAL  64  -8.175  -2.326  -3.545
  496   3HG2  VAL  64          HG23      VAL  64  -9.702  -2.328  -2.663
  497    H    ALA  65           HN       ALA  65  -6.805   1.989  -2.680
  498    HA   ALA  65           HA       ALA  65  -8.114   4.116  -4.305
  499   1HB   ALA  65          HB1       ALA  65  -8.711   3.592  -1.482
  500   2HB   ALA  65          HB2       ALA  65  -9.592   4.569  -2.657
  501   3HB   ALA  65          HB3       ALA  65  -8.217   5.256  -1.793
  502    H    LYS  66           HN       LYS  66  -6.563   5.701  -4.826
  503    HA   LYS  66           HA       LYS  66  -4.025   5.520  -3.336
  504   1HB   LYS  66          HB2       LYS  66  -4.421   7.273  -5.704
  505   2HB   LYS  66          HB1       LYS  66  -2.987   6.375  -5.207
  506   1HG   LYS  66          HG2       LYS  66  -3.682   5.015  -6.864
  507   2HG   LYS  66          HG1       LYS  66  -4.653   4.329  -5.592
  508   1HD   LYS  66          HD2       LYS  66  -6.444   4.745  -6.905
  509   2HD   LYS  66          HD1       LYS  66  -6.186   6.451  -6.533
  510   1HE   LYS  66          HE2       LYS  66  -4.908   6.797  -8.510
  511   2HE   LYS  66          HE1       LYS  66  -4.726   5.064  -8.786
  512   1HZ   LYS  66          HZ1       LYS  66  -6.414   5.554 -10.220
  513   2HZ   LYS  66          HZ2       LYS  66  -7.054   6.788  -9.243
  514   3HZ   LYS  66          HZ3       LYS  66  -7.318   5.159  -8.840
  515    H    GLU  67           HN       GLU  67  -2.928   7.477  -2.792
  516    HA   GLU  67           HA       GLU  67  -4.654   9.846  -2.375
  517   1HB   GLU  67          HB2       GLU  67  -3.327   8.176  -0.352
  518   2HB   GLU  67          HB1       GLU  67  -3.291   9.896  -0.091
  519   1HG   GLU  67          HG2       GLU  67  -5.925   9.153  -0.935
  520   2HG   GLU  67          HG1       GLU  67  -5.444   8.108   0.402
  521    H    THR  68           HN       THR  68  -3.592  11.395  -3.508
  522    HA   THR  68           HA       THR  68  -0.660  11.742  -3.027
  523    HB   THR  68           HB       THR  68  -0.239  12.089  -5.366
  524    HG1  THR  68           HG1      THR  68  -1.993  11.985  -6.855
  525   1HG2  THR  68          HG21      THR  68  -1.099   9.921  -6.369
  526   2HG2  THR  68          HG22      THR  68  -2.013   9.687  -4.880
  527   3HG2  THR  68          HG23      THR  68  -0.251   9.750  -4.832
  528    H    ASP  69           HN       ASP  69  -3.057  13.047  -1.940
  529    HA   ASP  69           HA       ASP  69  -3.325  15.616  -3.296
  530   1HB   ASP  69          HB2       ASP  69  -4.161  14.811  -0.505
  531   2HB   ASP  69          HB1       ASP  69  -4.723  16.235  -1.381
  532    H    GLY  70           HN       GLY  70  -0.815  14.410  -1.717
  533   1HA   GLY  70          HA2       GLY  70   1.014  16.162  -1.496
  534   2HA   GLY  70          HA1       GLY  70  -0.077  16.907  -0.359
  535    H    LEU  71           HN       LEU  71   2.518  15.216  -0.451
  536    HA   LEU  71           HA       LEU  71   2.546  12.926   0.957
  537   1HB   LEU  71          HB2       LEU  71   4.258  15.338   1.570
  538   2HB   LEU  71          HB1       LEU  71   4.570  13.731   2.188
  539    HG   LEU  71           HG       LEU  71   4.151  13.975  -0.718
  540   1HD1  LEU  71          HD11      LEU  71   6.826  14.323  -0.624
  541   2HD1  LEU  71          HD12      LEU  71   6.358  15.265   0.791
  542   3HD1  LEU  71          HD13      LEU  71   5.700  15.670  -0.794
  543   1HD2  LEU  71          HD21      LEU  71   6.071  12.286  -0.588
  544   2HD2  LEU  71          HD22      LEU  71   4.544  11.789   0.143
  545   3HD2  LEU  71          HD23      LEU  71   5.866  12.356   1.162
  546    HA   PRO  72           HA       PRO  72   3.422  11.892   2.379
  547   1HB   PRO  72          HB2       PRO  72   2.436   9.907   3.967
  548   2HB   PRO  72          HB1       PRO  72   3.696  11.031   4.515
  549   1HG   PRO  72          HG2       PRO  72   0.800  10.970   5.194
  550   2HG   PRO  72          HG1       PRO  72   2.159  11.542   6.181
  551   1HD   PRO  72          HD2       PRO  72   0.359  13.185   4.748
  552   2HD   PRO  72          HD1       PRO  72   1.938  13.698   5.386
  553    H    TYR  73           HN       TYR  73   2.812  10.262   0.931
  554    HA   TYR  73           HA       TYR  73   0.196  10.361  -0.238
  555   1HB   TYR  73          HB2       TYR  73   2.069   8.098  -0.649
  556   2HB   TYR  73          HB1       TYR  73   0.970   8.830  -1.808
  557    HD1  TYR  73           HD1      TYR  73   4.226   8.736  -0.460
  558    HD2  TYR  73           HD2      TYR  73   1.485  11.237  -2.574
  559    HE1  TYR  73           HE1      TYR  73   6.133  10.060  -1.306
  560    HE2  TYR  73           HE2      TYR  73   3.358  12.620  -3.402
  561    HH   TYR  73           HH       TYR  73   6.730  11.910  -2.432
  562    H    ARG  74           HN       ARG  74  -1.160   8.346  -0.554
  563    HA   ARG  74           HA       ARG  74  -0.749   6.249   1.414
  564   1HB   ARG  74          HB2       ARG  74  -2.994   8.211   1.541
  565   2HB   ARG  74          HB1       ARG  74  -3.311   6.516   1.928
  566   1HG   ARG  74          HG2       ARG  74  -1.993   6.521   3.766
  567   2HG   ARG  74          HG1       ARG  74  -0.901   7.721   3.123
  568   1HD   ARG  74          HD2       ARG  74  -1.962   9.074   4.646
  569   2HD   ARG  74          HD1       ARG  74  -3.127   9.231   3.332
  570    HE   ARG  74           HE       ARG  74  -3.543   7.063   5.322
  571   1HH1  ARG  74          HH11      ARG  74  -5.003   9.101   3.132
  572   2HH1  ARG  74          HH12      ARG  74  -6.316   9.573   4.158
  573   1HH2  ARG  74          HH21      ARG  74  -4.988   8.085   6.994
  574   2HH2  ARG  74          HH22      ARG  74  -6.309   8.996   6.343
  575    H    TYR  75           HN       TYR  75  -1.949   4.374   0.847
  576    HA   TYR  75           HA       TYR  75  -3.478   4.472  -1.637
  577   1HB   TYR  75          HB2       TYR  75  -1.294   2.490  -1.654
  578   2HB   TYR  75          HB1       TYR  75  -2.067   3.324  -3.002
  579    HD1  TYR  75           HD1      TYR  75  -1.538   5.867  -3.267
  580    HD2  TYR  75           HD2      TYR  75   0.672   3.194  -0.813
  581    HE1  TYR  75           HE1      TYR  75   0.406   7.405  -3.387
  582    HE2  TYR  75           HE2      TYR  75   2.645   4.718  -0.894
  583    HH   TYR  75           HH       TYR  75   3.390   6.708  -1.569
  584    H    LEU  76           HN       LEU  76  -5.144   3.007  -1.320
  585    HA   LEU  76           HA       LEU  76  -4.768   1.085   0.787
  586   1HB   LEU  76          HB2       LEU  76  -6.958   2.178   0.628
  587   2HB   LEU  76          HB1       LEU  76  -7.167   1.540  -0.986
  588    HG   LEU  76           HG       LEU  76  -6.767  -0.756   0.035
  589   1HD1  LEU  76          HD11      LEU  76  -7.748   0.262   2.620
  590   2HD1  LEU  76          HD12      LEU  76  -6.071   0.667   2.251
  591   3HD1  LEU  76          HD13      LEU  76  -6.586  -1.020   2.280
  592   1HD2  LEU  76          HD21      LEU  76  -9.214  -0.033   1.292
  593   2HD2  LEU  76          HD22      LEU  76  -8.954  -0.875  -0.234
  594   3HD2  LEU  76          HD23      LEU  76  -9.033   0.887  -0.201
  595    H    ILE  77           HN       ILE  77  -4.960  -1.285   0.216
  596    HA   ILE  77           HA       ILE  77  -4.967  -1.806  -2.676
  597    HB   ILE  77           HB       ILE  77  -2.829  -2.882  -0.840
  598   1HG1  ILE  77          HG12      ILE  77  -2.923  -0.428  -2.585
  599   2HG1  ILE  77          HG11      ILE  77  -2.385  -0.566  -0.914
  600   1HG2  ILE  77          HG21      ILE  77  -1.931  -3.902  -2.715
  601   2HG2  ILE  77          HG22      ILE  77  -2.571  -2.679  -3.812
  602   3HG2  ILE  77          HG23      ILE  77  -3.633  -3.932  -3.170
  603   1HD1  ILE  77          HD11      ILE  77  -0.398  -1.769  -1.581
  604   2HD1  ILE  77          HD12      ILE  77  -0.505  -0.311  -2.568
  605   3HD1  ILE  77          HD13      ILE  77  -0.963  -1.871  -3.249
  606    H    ARG  78           HN       ARG  78  -6.720  -3.188  -2.768
  607    HA   ARG  78           HA       ARG  78  -7.321  -5.002  -0.572
  608   1HB   ARG  78          HB2       ARG  78  -9.168  -4.319  -1.936
  609   2HB   ARG  78          HB1       ARG  78  -8.336  -4.800  -3.415
  610   1HG   ARG  78          HG2       ARG  78  -9.025  -6.941  -3.212
  611   2HG   ARG  78          HG1       ARG  78  -8.539  -7.006  -1.517
  612   1HD   ARG  78          HD2       ARG  78 -10.609  -6.225  -0.756
  613   2HD   ARG  78          HD1       ARG  78 -11.010  -5.485  -2.306
  614    HE   ARG  78           HE       ARG  78 -11.828  -8.058  -1.578
  615   1HH1  ARG  78          HH21      ARG  78 -12.394  -6.632  -4.225
  616   2HH1  ARG  78          HH22      ARG  78 -11.748  -7.773  -5.358
  617   1HH2  ARG  78          HH11      ARG  78  -9.943  -9.524  -2.971
  618   2HH2  ARG  78          HH12      ARG  78 -10.362  -9.409  -4.647
  619    H    LYS  79           HN       LYS  79  -5.994  -6.706  -0.138
  620    HA   LYS  79           HA       LYS  79  -4.145  -7.842  -2.025
  621   1HB   LYS  79          HB2       LYS  79  -4.644  -8.067   0.721
  622   2HB   LYS  79          HB1       LYS  79  -4.954  -9.679   0.080
  623   1HG   LYS  79          HG2       LYS  79  -2.627  -8.772  -1.228
  624   2HG   LYS  79          HG1       LYS  79  -2.423  -8.334   0.468
  625   1HD   LYS  79          HD2       LYS  79  -1.731 -10.485   0.717
  626   2HD   LYS  79          HD1       LYS  79  -3.454 -10.864   0.683
  627   1HE   LYS  79          HE2       LYS  79  -2.909 -10.713  -1.987
  628   2HE   LYS  79          HE1       LYS  79  -1.379 -11.337  -1.369
  629   1HZ   LYS  79          HZ1       LYS  79  -2.409 -13.301  -1.423
  630   2HZ   LYS  79          HZ2       LYS  79  -3.958 -12.610  -1.522
  631   3HZ   LYS  79          HZ3       LYS  79  -3.199 -12.789  -0.012
  632    H    GLY  80           HN       GLY  80  -4.993  -8.739  -3.855
  633   1HA   GLY  80          HA2       GLY  80  -6.239 -11.223  -3.939
  634   2HA   GLY  80          HA1       GLY  80  -7.569 -10.065  -3.905
  635    H    GLY  81           HN       GLY  81  -7.293 -11.615  -6.143
  636   1HA   GLY  81          HA2       GLY  81  -6.126  -9.720  -8.145
  637   2HA   GLY  81          HA1       GLY  81  -6.177 -11.467  -8.389
  Start of MODEL    3
    1   1H    MET   1          HT1       MET   1 -21.985   7.922   2.047
    2   2H    MET   1          HT2       MET   1 -22.388   7.387   0.486
    3   3H    MET   1          HT3       MET   1 -22.480   9.039   0.870
    4    HA   MET   1           HA       MET   1 -20.472   8.244  -0.468
    5   1HB   MET   1          HB2       MET   1 -20.469   9.970   1.995
    6   2HB   MET   1          HB1       MET   1 -18.968   9.712   1.104
    7   1HG   MET   1          HG2       MET   1 -19.611  11.276  -0.378
    8   2HG   MET   1          HG1       MET   1 -20.984  10.261  -0.820
    9   1HE   MET   1          HE1       MET   1 -21.913  13.383  -1.124
   10   2HE   MET   1          HE2       MET   1 -23.449  12.748  -0.537
   11   3HE   MET   1          HE3       MET   1 -22.382  11.717  -1.488
   12    H    THR   2           HN       THR   2 -19.418   6.301  -0.456
   13    HA   THR   2           HA       THR   2 -18.461   5.233   2.158
   14    HB   THR   2           HB       THR   2 -18.320   3.711  -0.430
   15    HG1  THR   2           HG1      THR   2 -20.598   3.799   1.242
   16   1HG2  THR   2          HG21      THR   2 -17.558   3.116   2.110
   17   2HG2  THR   2          HG22      THR   2 -18.059   1.901   0.933
   18   3HG2  THR   2          HG23      THR   2 -19.213   2.505   2.122
   19    H    ASP   3           HN       ASP   3 -16.390   5.794   2.615
   20    HA   ASP   3           HA       ASP   3 -14.543   6.640   0.522
   21   1HB   ASP   3          HB2       ASP   3 -14.558   6.522   3.483
   22   2HB   ASP   3          HB1       ASP   3 -12.974   6.352   2.727
   23    H    LEU   4           HN       LEU   4 -13.024   5.386  -0.486
   24    HA   LEU   4           HA       LEU   4 -13.114   2.521  -0.217
   25   1HB   LEU   4          HB2       LEU   4 -11.195   4.395  -1.622
   26   2HB   LEU   4          HB1       LEU   4 -11.031   2.639  -1.687
   27    HG   LEU   4           HG       LEU   4 -13.532   4.151  -2.492
   28   1HD1  LEU   4          HD11      LEU   4 -11.194   3.086  -4.082
   29   2HD1  LEU   4          HD12      LEU   4 -11.902   4.700  -4.130
   30   3HD1  LEU   4          HD13      LEU   4 -12.778   3.332  -4.816
   31   1HD2  LEU   4          HD21      LEU   4 -12.669   1.251  -2.615
   32   2HD2  LEU   4          HD22      LEU   4 -14.000   1.883  -3.585
   33   3HD2  LEU   4          HD23      LEU   4 -14.096   1.923  -1.824
   34    H    PHE   5           HN       PHE   5 -11.228   5.021   1.315
   35    HA   PHE   5           HA       PHE   5  -9.228   3.117   2.328
   36   1HB   PHE   5          HB2       PHE   5  -9.641   6.071   2.447
   37   2HB   PHE   5          HB1       PHE   5  -8.693   5.325   3.734
   38    HD1  PHE   5           HD1      PHE   5  -6.713   6.612   2.864
   39    HD2  PHE   5           HD2      PHE   5  -8.710   3.634   0.515
   40    HE1  PHE   5           HE1      PHE   5  -4.769   6.459   1.341
   41    HE2  PHE   5           HE2      PHE   5  -6.737   3.508  -0.975
   42    HZ   PHE   5           HZ       PHE   5  -4.771   4.971  -0.591
   43    H    SER   6           HN       SER   6 -12.276   3.207   3.029
   44    HA   SER   6           HA       SER   6 -12.743   3.888   5.686
   45   1HB   SER   6          HB2       SER   6 -13.644   1.368   4.258
   46   2HB   SER   6          HB1       SER   6 -14.343   1.980   5.754
   47    HG   SER   6           HG       SER   6 -15.557   3.108   4.462
   48    H    SER   7           HN       SER   7 -12.939   2.128   7.542
   49    HA   SER   7           HA       SER   7 -10.405   1.451   8.462
   50   1HB   SER   7          HB2       SER   7 -11.596  -0.351   9.815
   51   2HB   SER   7          HB1       SER   7 -12.253   1.275   9.968
   52    HG   SER   7           HG       SER   7 -13.583  -0.821   9.326
   53    HA   PRO   8           HA       PRO   8  -9.583  -1.684   5.314
   54   1HB   PRO   8          HB2       PRO   8  -6.856  -1.568   5.632
   55   2HB   PRO   8          HB1       PRO   8  -7.774  -0.445   4.617
   56   1HG   PRO   8          HG2       PRO   8  -6.565   0.018   7.307
   57   2HG   PRO   8          HG1       PRO   8  -6.883   1.176   6.005
   58   1HD   PRO   8          HD2       PRO   8  -8.456   0.844   8.321
   59   2HD   PRO   8          HD1       PRO   8  -8.949   1.705   6.847
   60    H    ASP   9           HN       ASP   9  -8.252  -3.782   5.477
   61    HA   ASP   9           HA       ASP   9  -8.750  -4.994   8.104
   62   1HB   ASP   9          HB2       ASP   9  -7.547  -6.169   5.575
   63   2HB   ASP   9          HB1       ASP   9  -8.039  -7.086   7.000
   64    H    HIS  10           HN       HIS  10  -6.084  -3.648   6.346
   65    HA   HIS  10           HA       HIS  10  -4.299  -4.258   8.637
   66   1HB   HIS  10          HB2       HIS  10  -3.887  -5.078   5.771
   67   2HB   HIS  10          HB1       HIS  10  -2.505  -4.748   6.808
   68    HD1  HIS  10           HD1      HIS  10  -1.716  -6.707   8.143
   69    HD2  HIS  10           HD2      HIS  10  -5.738  -7.067   7.111
   70    HE1  HIS  10           HE1      HIS  10  -2.477  -8.964   9.006
   71    H    THR  11           HN       THR  11  -2.126  -2.971   8.236
   72    HA   THR  11           HA       THR  11  -2.573  -0.538   6.606
   73    HB   THR  11           HB       THR  11  -1.825  -0.443   9.526
   74    HG1  THR  11           HG1      THR  11  -4.250  -0.224   8.163
   75   1HG2  THR  11          HG21      THR  11  -2.462   1.722   7.502
   76   2HG2  THR  11          HG22      THR  11  -0.881   1.391   8.208
   77   3HG2  THR  11          HG23      THR  11  -2.189   2.003   9.221
   78    H    LEU  12           HN       LEU  12  -0.554   0.709   6.368
   79    HA   LEU  12           HA       LEU  12   1.947  -0.674   7.176
   80   1HB   LEU  12          HB2       LEU  12   1.624  -1.675   5.023
   81   2HB   LEU  12          HB1       LEU  12   1.108  -0.144   4.323
   82    HG   LEU  12           HG       LEU  12   3.341   0.768   4.363
   83   1HD1  LEU  12          HD11      LEU  12   5.182  -0.619   5.503
   84   2HD1  LEU  12          HD12      LEU  12   3.879  -1.509   6.294
   85   3HD1  LEU  12          HD13      LEU  12   4.062   0.220   6.570
   86   1HD2  LEU  12          HD21      LEU  12   3.252  -2.156   3.618
   87   2HD2  LEU  12          HD22      LEU  12   4.740  -1.226   3.449
   88   3HD2  LEU  12          HD23      LEU  12   3.294  -0.743   2.564
   89    H    ASP  13           HN       ASP  13   2.998   1.022   8.178
   90    HA   ASP  13           HA       ASP  13   2.623   3.766   7.185
   91   1HB   ASP  13          HB2       ASP  13   2.946   3.510   9.581
   92   2HB   ASP  13          HB1       ASP  13   4.425   2.583   9.329
   93    H    ALA  14           HN       ALA  14   4.206   4.889   5.900
   94    HA   ALA  14           HA       ALA  14   6.705   3.410   5.345
   95   1HB   ALA  14          HB1       ALA  14   4.694   2.887   3.682
   96   2HB   ALA  14          HB2       ALA  14   6.368   2.985   3.136
   97   3HB   ALA  14          HB3       ALA  14   5.287   4.363   2.920
   98    H    LEU  15           HN       LEU  15   5.597   5.859   6.551
   99    HA   LEU  15           HA       LEU  15   6.779   8.086   5.111
  100   1HB   LEU  15          HB2       LEU  15   6.054   8.215   7.990
  101   2HB   LEU  15          HB1       LEU  15   5.811   9.380   6.700
  102    HG   LEU  15           HG       LEU  15   4.228   6.852   7.161
  103   1HD1  LEU  15          HD11      LEU  15   3.679   8.857   8.558
  104   2HD1  LEU  15          HD12      LEU  15   2.364   8.346   7.500
  105   3HD1  LEU  15          HD13      LEU  15   3.351   9.744   7.069
  106   1HD2  LEU  15          HD21      LEU  15   4.842   7.655   4.701
  107   2HD2  LEU  15          HD22      LEU  15   3.584   8.844   5.022
  108   3HD2  LEU  15          HD23      LEU  15   3.213   7.124   5.099
  109    H    GLY  16           HN       GLY  16   8.899   7.937   5.013
  110   1HA   GLY  16          HA2       GLY  16  11.072   8.311   6.074
  111   2HA   GLY  16          HA1       GLY  16  10.440   7.525   7.530
  112    H    LEU  17           HN       LEU  17   9.177   5.779   5.102
  113    HA   LEU  17           HA       LEU  17  11.249   3.686   5.269
  114   1HB   LEU  17          HB2       LEU  17   8.415   3.701   4.186
  115   2HB   LEU  17          HB1       LEU  17   9.489   2.310   4.114
  116    HG   LEU  17           HG       LEU  17   8.121   3.533   6.467
  117   1HD1  LEU  17          HD11      LEU  17   7.912   1.090   6.993
  118   2HD1  LEU  17          HD12      LEU  17   8.831   0.736   5.529
  119   3HD1  LEU  17          HD13      LEU  17   7.249   1.505   5.411
  120   1HD2  LEU  17          HD21      LEU  17  10.804   2.150   6.488
  121   2HD2  LEU  17          HD22      LEU  17   9.745   2.189   7.898
  122   3HD2  LEU  17          HD23      LEU  17  10.375   3.693   7.225
  123    H    ARG  18           HN       ARG  18  12.136   2.856   3.317
  124    HA   ARG  18           HA       ARG  18  11.317   4.315   0.877
  125   1HB   ARG  18          HB2       ARG  18  13.837   4.604   0.364
  126   2HB   ARG  18          HB1       ARG  18  13.036   5.710   1.481
  127   1HG   ARG  18          HG2       ARG  18  14.115   4.860   3.332
  128   2HG   ARG  18          HG1       ARG  18  14.243   3.243   2.638
  129   1HD   ARG  18          HD2       ARG  18  15.745   5.140   1.050
  130   2HD   ARG  18          HD1       ARG  18  16.261   5.206   2.735
  131    HE   ARG  18           HE       ARG  18  16.060   2.539   1.442
  132   1HH1  ARG  18          HH11      ARG  18  17.424   3.403   4.106
  133   2HH1  ARG  18          HH12      ARG  18  19.089   3.254   3.652
  134   1HH2  ARG  18          HH21      ARG  18  18.421   3.089   0.253
  135   2HH2  ARG  18          HH22      ARG  18  19.654   3.077   1.469
  136    H    CYS  19           HN       CYS  19  11.740   3.168  -1.010
  137    HA   CYS  19           HA       CYS  19  11.559   0.387  -0.925
  138   1HB   CYS  19          HB2       CYS  19  11.172   1.469  -2.999
  139   2HB   CYS  19          HB1       CYS  19  12.786   2.173  -3.028
  140    HG   CYS  19           HG       CYS  19  13.399   0.148  -4.327
  141    HA   PRO  20           HA       PRO  20  11.959  -1.391  -1.613
  142   1HB   PRO  20          HB2       PRO  20  12.799  -3.815  -0.677
  143   2HB   PRO  20          HB1       PRO  20  13.344  -3.145  -2.225
  144   1HG   PRO  20          HG2       PRO  20  14.838  -3.399   0.337
  145   2HG   PRO  20          HG1       PRO  20  15.461  -3.300  -1.315
  146   1HD   PRO  20          HD2       PRO  20  15.359  -1.193   0.608
  147   2HD   PRO  20          HD1       PRO  20  15.817  -1.056  -1.104
  148    H    GLU  21           HN       GLU  21  13.040  -0.494   1.395
  149    HA   GLU  21           HA       GLU  21  11.953  -2.242   3.256
  150   1HB   GLU  21          HB2       GLU  21  12.278   0.706   3.353
  151   2HB   GLU  21          HB1       GLU  21  11.681  -0.189   4.740
  152   1HG   GLU  21          HG2       GLU  21  13.909  -1.639   3.861
  153   2HG   GLU  21          HG1       GLU  21  14.402   0.051   3.736
  154    HA   PRO  22           HA       PRO  22   7.749  -0.018   3.272
  155   1HB   PRO  22          HB2       PRO  22   7.148   1.348   0.959
  156   2HB   PRO  22          HB1       PRO  22   7.839   2.107   2.390
  157   1HG   PRO  22          HG2       PRO  22   9.167   1.391  -0.179
  158   2HG   PRO  22          HG1       PRO  22   9.555   2.694   0.959
  159   1HD   PRO  22          HD2       PRO  22  10.951   0.288   0.754
  160   2HD   PRO  22          HD1       PRO  22  11.000   1.356   2.164
  161    H    VAL  23           HN       VAL  23   8.554  -0.484  -0.139
  162    HA   VAL  23           HA       VAL  23   6.398  -2.105  -0.915
  163    HB   VAL  23           HB       VAL  23   9.319  -2.432  -1.659
  164   1HG1  VAL  23          HG11      VAL  23   8.378  -4.294  -2.632
  165   2HG1  VAL  23          HG12      VAL  23   7.976  -3.116  -3.882
  166   3HG1  VAL  23          HG13      VAL  23   6.767  -3.580  -2.685
  167   1HG2  VAL  23          HG21      VAL  23   7.344  -0.362  -2.240
  168   2HG2  VAL  23          HG22      VAL  23   7.963  -1.107  -3.714
  169   3HG2  VAL  23          HG23      VAL  23   9.078  -0.372  -2.563
  170    H    MET  24           HN       MET  24   9.132  -2.789   1.165
  171    HA   MET  24           HA       MET  24   8.840  -5.692   1.065
  172   1HB   MET  24          HB2       MET  24  10.376  -3.756   2.779
  173   2HB   MET  24          HB1       MET  24  10.249  -5.449   3.257
  174   1HG   MET  24          HG2       MET  24  10.965  -4.931   0.418
  175   2HG   MET  24          HG1       MET  24  12.196  -4.545   1.619
  176   1HE   MET  24          HE1       MET  24  11.775  -8.350  -0.320
  177   2HE   MET  24          HE2       MET  24  11.900  -6.659  -0.797
  178   3HE   MET  24          HE3       MET  24  10.334  -7.323  -0.336
  179    H    MET  25           HN       MET  25   7.772  -3.119   3.274
  180    HA   MET  25           HA       MET  25   6.669  -4.801   5.278
  181   1HB   MET  25          HB2       MET  25   6.185  -1.985   4.373
  182   2HB   MET  25          HB1       MET  25   5.016  -2.724   5.467
  183   1HG   MET  25          HG2       MET  25   7.536  -3.407   6.513
  184   2HG   MET  25          HG1       MET  25   7.668  -1.710   6.052
  185   1HE   MET  25          HE1       MET  25   5.520  -4.371   7.952
  186   2HE   MET  25          HE2       MET  25   5.531  -3.577   9.526
  187   3HE   MET  25          HE3       MET  25   7.056  -3.960   8.729
  188    H    VAL  26           HN       VAL  26   5.222  -3.456   2.306
  189    HA   VAL  26           HA       VAL  26   2.635  -4.621   2.727
  190    HB   VAL  26           HB       VAL  26   4.084  -3.923   0.161
  191   1HG1  VAL  26          HG11      VAL  26   2.330  -4.740  -1.018
  192   2HG1  VAL  26          HG12      VAL  26   1.170  -3.959   0.054
  193   3HG1  VAL  26          HG13      VAL  26   1.814  -5.548   0.460
  194   1HG2  VAL  26          HG21      VAL  26   2.284  -2.501   2.076
  195   2HG2  VAL  26          HG22      VAL  26   2.122  -2.128   0.361
  196   3HG2  VAL  26          HG23      VAL  26   3.669  -1.886   1.172
  197    H    ARG  27           HN       ARG  27   5.659  -5.899   1.479
  198    HA   ARG  27           HA       ARG  27   4.588  -8.265   0.251
  199   1HB   ARG  27          HB2       ARG  27   7.261  -7.448   1.284
  200   2HB   ARG  27          HB1       ARG  27   6.960  -9.180   1.082
  201   1HG   ARG  27          HG2       ARG  27   6.306  -7.214  -1.102
  202   2HG   ARG  27          HG1       ARG  27   7.921  -7.892  -0.938
  203   1HD   ARG  27          HD2       ARG  27   5.903  -9.966  -0.720
  204   2HD   ARG  27          HD1       ARG  27   5.744  -9.088  -2.239
  205    HE   ARG  27           HE       ARG  27   8.385 -10.208  -1.408
  206   1HH1  ARG  27          HH11      ARG  27   6.697 -12.232  -2.737
  207   2HH1  ARG  27          HH12      ARG  27   7.069 -12.007  -4.414
  208   1HH2  ARG  27          HH21      ARG  27   8.474  -8.870  -3.956
  209   2HH2  ARG  27          HH22      ARG  27   8.074 -10.105  -5.103
  210    H    LYS  28           HN       LYS  28   6.024  -7.804   3.455
  211    HA   LYS  28           HA       LYS  28   5.477 -10.413   4.459
  212   1HB   LYS  28          HB2       LYS  28   5.616  -7.812   6.019
  213   2HB   LYS  28          HB1       LYS  28   5.799  -9.434   6.689
  214   1HG   LYS  28          HG2       LYS  28   7.695  -9.663   4.884
  215   2HG   LYS  28          HG1       LYS  28   7.675  -7.899   4.917
  216   1HD   LYS  28          HD2       LYS  28   7.623  -9.057   7.600
  217   2HD   LYS  28          HD1       LYS  28   9.056  -9.536   6.689
  218   1HE   LYS  28          HE2       LYS  28   9.928  -7.446   6.745
  219   2HE   LYS  28          HE1       LYS  28   8.374  -6.697   6.375
  220   1HZ   LYS  28          HZ1       LYS  28   9.482  -6.384   8.700
  221   2HZ   LYS  28          HZ2       LYS  28   8.771  -7.894   9.023
  222   3HZ   LYS  28          HZ3       LYS  28   7.801  -6.576   8.567
  223    H    THR  29           HN       THR  29   3.665  -7.404   4.677
  224    HA   THR  29           HA       THR  29   1.403  -8.377   6.126
  225    HB   THR  29           HB       THR  29   2.129  -6.095   4.380
  226    HG1  THR  29           HG1      THR  29   0.897  -5.175   6.360
  227   1HG2  THR  29          HG21      THR  29  -0.115  -6.756   3.525
  228   2HG2  THR  29          HG22      THR  29  -0.098  -5.166   4.285
  229   3HG2  THR  29          HG23      THR  29  -0.755  -6.549   5.157
  230    H    VAL  30           HN       VAL  30   2.360  -8.348   2.783
  231    HA   VAL  30           HA       VAL  30  -0.152  -9.232   1.653
  232    HB   VAL  30           HB       VAL  30   2.729  -9.125   0.752
  233   1HG1  VAL  30          HG11      VAL  30   1.792  -9.893  -1.511
  234   2HG1  VAL  30          HG12      VAL  30   0.437 -10.538  -0.584
  235   3HG1  VAL  30          HG13      VAL  30   2.072 -11.129  -0.284
  236   1HG2  VAL  30          HG21      VAL  30   0.449  -8.019  -0.824
  237   2HG2  VAL  30          HG22      VAL  30   2.060  -7.352  -0.560
  238   3HG2  VAL  30          HG23      VAL  30   0.833  -7.217   0.699
  239    H    ARG  31           HN       ARG  31   2.624 -10.670   3.127
  240    HA   ARG  31           HA       ARG  31   2.059 -13.415   2.345
  241   1HB   ARG  31          HB2       ARG  31   3.814 -12.243   4.523
  242   2HB   ARG  31          HB1       ARG  31   3.794 -13.947   4.060
  243   1HG   ARG  31          HG2       ARG  31   4.752 -13.517   1.954
  244   2HG   ARG  31          HG1       ARG  31   4.293 -11.819   1.985
  245   1HD   ARG  31          HD2       ARG  31   6.284 -11.287   2.875
  246   2HD   ARG  31          HD1       ARG  31   5.950 -12.328   4.257
  247    HE   ARG  31           HE       ARG  31   6.768 -14.029   2.167
  248   1HH1  ARG  31          HH11      ARG  31   8.179 -11.066   2.866
  249   2HH1  ARG  31          HH12      ARG  31   9.740 -11.703   3.266
  250   1HH2  ARG  31          HH21      ARG  31   8.705 -15.011   3.181
  251   2HH2  ARG  31          HH22      ARG  31  10.037 -13.937   3.444
  252    H    ASN  32           HN       ASN  32   1.237 -11.227   4.969
  253    HA   ASN  32           HA       ASN  32  -0.109 -13.478   6.394
  254   1HB   ASN  32          HB2       ASN  32  -0.252 -12.006   8.314
  255   2HB   ASN  32          HB1       ASN  32   1.401 -11.965   7.707
  256   1HD2  ASN  32          HD21      ASN  32   1.679  -9.800   8.674
  257   2HD2  ASN  32          HD22      ASN  32   0.992  -8.433   7.940
  258    H    MET  33           HN       MET  33  -0.822 -11.316   4.027
  259    HA   MET  33           HA       MET  33  -3.517 -10.611   5.012
  260   1HB   MET  33          HB2       MET  33  -1.831  -9.835   2.670
  261   2HB   MET  33          HB1       MET  33  -3.582  -9.752   2.482
  262   1HG   MET  33          HG2       MET  33  -3.389  -8.551   4.861
  263   2HG   MET  33          HG1       MET  33  -1.792  -8.150   4.246
  264   1HE   MET  33          HE1       MET  33  -5.748  -7.327   2.077
  265   2HE   MET  33          HE2       MET  33  -5.707  -7.526   3.827
  266   3HE   MET  33          HE3       MET  33  -5.187  -8.848   2.784
  267    H    GLN  34           HN       GLN  34  -5.240 -10.909   3.125
  268    HA   GLN  34           HA       GLN  34  -4.966 -13.604   1.897
  269   1HB   GLN  34          HB2       GLN  34  -7.232 -12.659   3.678
  270   2HB   GLN  34          HB1       GLN  34  -7.341 -14.078   2.634
  271   1HG   GLN  34          HG2       GLN  34  -6.470 -15.237   4.370
  272   2HG   GLN  34          HG1       GLN  34  -4.939 -14.460   3.965
  273   1HE2  GLN  34          HE21      GLN  34  -5.789 -15.198   6.684
  274   2HE2  GLN  34          HE22      GLN  34  -5.891 -13.755   7.572
  275    HA   PRO  35           HA       PRO  35  -6.766 -11.519  -1.495
  276   1HB   PRO  35          HB2       PRO  35  -8.016 -13.641  -2.746
  277   2HB   PRO  35          HB1       PRO  35  -6.275 -13.327  -2.817
  278   1HG   PRO  35          HG2       PRO  35  -7.753 -15.374  -1.213
  279   2HG   PRO  35          HG1       PRO  35  -6.107 -15.438  -1.868
  280   1HD   PRO  35          HD2       PRO  35  -6.744 -14.901   0.810
  281   2HD   PRO  35          HD1       PRO  35  -5.194 -14.507   0.033
  282    H    GLY  36           HN       GLY  36  -8.424 -10.223  -1.249
  283   1HA   GLY  36          HA2       GLY  36 -10.864  -9.866  -1.467
  284   2HA   GLY  36          HA1       GLY  36 -11.081 -11.284  -0.429
  285    H    GLU  37           HN       GLU  37  -8.424  -9.183   0.266
  286    HA   GLU  37           HA       GLU  37  -9.954  -8.050   2.578
  287   1HB   GLU  37          HB2       GLU  37  -7.290  -9.385   2.416
  288   2HB   GLU  37          HB1       GLU  37  -7.469  -8.047   3.544
  289   1HG   GLU  37          HG2       GLU  37  -8.002 -10.154   4.672
  290   2HG   GLU  37          HG1       GLU  37  -9.457  -9.167   4.528
  291    H    THR  38           HN       THR  38  -8.302  -6.177   3.532
  292    HA   THR  38           HA       THR  38  -7.363  -4.586   1.200
  293    HB   THR  38           HB       THR  38  -8.431  -2.594   2.618
  294    HG1  THR  38           HG1      THR  38  -9.602  -3.417   4.146
  295   1HG2  THR  38          HG21      THR  38  -9.024  -3.977   0.269
  296   2HG2  THR  38          HG22      THR  38  -9.697  -2.424   0.762
  297   3HG2  THR  38          HG23      THR  38 -10.558  -3.916   1.135
  298    H    LEU  39           HN       LEU  39  -5.814  -2.970   1.730
  299    HA   LEU  39           HA       LEU  39  -4.698  -2.989   4.494
  300   1HB   LEU  39          HB2       LEU  39  -3.378  -4.678   3.417
  301   2HB   LEU  39          HB1       LEU  39  -3.225  -3.719   1.947
  302    HG   LEU  39           HG       LEU  39  -2.141  -1.970   3.659
  303   1HD1  LEU  39          HD11      LEU  39  -2.193  -3.020   5.708
  304   2HD1  LEU  39          HD12      LEU  39  -0.632  -3.590   5.122
  305   3HD1  LEU  39          HD13      LEU  39  -2.051  -4.631   5.005
  306   1HD2  LEU  39          HD21      LEU  39  -0.598  -4.382   2.676
  307   2HD2  LEU  39          HD22      LEU  39   0.015  -2.746   2.914
  308   3HD2  LEU  39          HD23      LEU  39  -1.132  -3.080   1.616
  309    H    LEU  40           HN       LEU  40  -4.633  -0.810   4.987
  310    HA   LEU  40           HA       LEU  40  -4.409   1.166   2.814
  311   1HB   LEU  40          HB2       LEU  40  -6.002   1.777   4.483
  312   2HB   LEU  40          HB1       LEU  40  -4.895   1.370   5.795
  313    HG   LEU  40           HG       LEU  40  -3.394   3.215   5.061
  314   1HD1  LEU  40          HD11      LEU  40  -5.567   4.350   3.367
  315   2HD1  LEU  40          HD12      LEU  40  -4.607   3.046   2.668
  316   3HD1  LEU  40          HD13      LEU  40  -3.818   4.525   3.217
  317   1HD2  LEU  40          HD21      LEU  40  -4.662   4.097   6.748
  318   2HD2  LEU  40          HD22      LEU  40  -6.178   3.574   6.014
  319   3HD2  LEU  40          HD23      LEU  40  -5.381   5.039   5.441
  320    H    ILE  41           HN       ILE  41  -2.576   2.476   2.536
  321    HA   ILE  41           HA       ILE  41  -0.277   1.897   4.352
  322    HB   ILE  41           HB       ILE  41   0.008   2.149   1.358
  323   1HG1  ILE  41          HG12      ILE  41  -0.751  -0.242   3.035
  324   2HG1  ILE  41          HG11      ILE  41  -1.384   0.266   1.478
  325   1HG2  ILE  41          HG21      ILE  41   1.879   0.442   2.776
  326   2HG2  ILE  41          HG22      ILE  41   1.809   2.035   3.520
  327   3HG2  ILE  41          HG23      ILE  41   2.198   1.880   1.808
  328   1HD1  ILE  41          HD11      ILE  41   0.054  -1.708   1.205
  329   2HD1  ILE  41          HD12      ILE  41   1.392  -0.843   1.962
  330   3HD1  ILE  41          HD13      ILE  41   0.765  -0.309   0.403
  331    H    ILE  42           HN       ILE  42   1.319   3.591   4.443
  332    HA   ILE  42           HA       ILE  42   0.518   6.135   3.150
  333    HB   ILE  42           HB       ILE  42   1.813   6.002   5.873
  334   1HG1  ILE  42          HG12      ILE  42  -1.048   5.614   5.104
  335   2HG1  ILE  42          HG11      ILE  42  -0.155   4.953   6.473
  336   1HG2  ILE  42          HG21      ILE  42   0.059   8.130   4.610
  337   2HG2  ILE  42          HG22      ILE  42   1.808   8.103   4.419
  338   3HG2  ILE  42          HG23      ILE  42   1.104   8.296   6.019
  339   1HD1  ILE  42          HD11      ILE  42  -1.104   7.806   6.159
  340   2HD1  ILE  42          HD12      ILE  42  -0.122   7.213   7.498
  341   3HD1  ILE  42          HD13      ILE  42  -1.762   6.603   7.268
  342    H    ALA  43           HN       ALA  43   2.447   7.503   2.854
  343    HA   ALA  43           HA       ALA  43   5.057   6.297   3.257
  344   1HB   ALA  43          HB1       ALA  43   3.717   5.385   1.025
  345   2HB   ALA  43          HB2       ALA  43   5.470   5.400   1.215
  346   3HB   ALA  43          HB3       ALA  43   4.663   6.724   0.375
  347    H    ASP  44           HN       ASP  44   6.463   7.940   3.418
  348    HA   ASP  44           HA       ASP  44   5.623  10.530   2.227
  349   1HB   ASP  44          HB2       ASP  44   6.986  11.668   3.833
  350   2HB   ASP  44          HB1       ASP  44   6.024  10.507   4.734
  351    H    ASP  45           HN       ASP  45   7.893   7.936   2.306
  352    HA   ASP  45           HA       ASP  45  10.062   9.204   0.938
  353   1HB   ASP  45          HB2       ASP  45  10.526   7.115   1.804
  354   2HB   ASP  45          HB1       ASP  45   9.008   6.449   1.237
  355    HA   PRO  46           HA       PRO  46   8.067   9.913  -2.940
  356   1HB   PRO  46          HB2       PRO  46  10.330  10.316  -4.447
  357   2HB   PRO  46          HB1       PRO  46   9.675  11.521  -3.324
  358   1HG   PRO  46          HG2       PRO  46  12.074   9.776  -3.023
  359   2HG   PRO  46          HG1       PRO  46  11.730  11.348  -2.282
  360   1HD   PRO  46          HD2       PRO  46  11.497   8.827  -1.014
  361   2HD   PRO  46          HD1       PRO  46  10.861  10.362  -0.404
  362    H    ALA  47           HN       ALA  47  10.350   7.403  -2.423
  363    HA   ALA  47           HA       ALA  47   9.901   6.160  -5.067
  364   1HB   ALA  47          HB1       ALA  47  11.780   4.938  -4.646
  365   2HB   ALA  47          HB2       ALA  47  11.315   4.619  -2.975
  366   3HB   ALA  47          HB3       ALA  47  12.065   6.157  -3.403
  367    H    THR  48           HN       THR  48   8.198   6.246  -2.211
  368    HA   THR  48           HA       THR  48   7.419   3.403  -2.212
  369    HB   THR  48           HB       THR  48   5.647   4.456  -0.534
  370    HG1  THR  48           HG1      THR  48   7.716   6.307  -0.209
  371   1HG2  THR  48          HG21      THR  48   7.586   2.939  -0.031
  372   2HG2  THR  48          HG22      THR  48   7.212   4.084   1.256
  373   3HG2  THR  48          HG23      THR  48   8.583   4.376   0.185
  374    H    THR  49           HN       THR  49   5.954   6.547  -3.020
  375    HA   THR  49           HA       THR  49   3.367   5.632  -3.701
  376    HB   THR  49           HB       THR  49   3.045   7.674  -4.740
  377    HG1  THR  49           HG1      THR  49   4.277   7.309  -6.536
  378   1HG2  THR  49          HG21      THR  49   5.672   8.632  -3.769
  379   2HG2  THR  49          HG22      THR  49   4.662   7.818  -2.573
  380   3HG2  THR  49          HG23      THR  49   4.052   9.237  -3.424
  381    H    ARG  50           HN       ARG  50   6.416   5.396  -5.397
  382    HA   ARG  50           HA       ARG  50   5.044   4.292  -7.788
  383   1HB   ARG  50          HB2       ARG  50   7.886   5.100  -7.205
  384   2HB   ARG  50          HB1       ARG  50   7.438   4.250  -8.683
  385   1HG   ARG  50          HG2       ARG  50   5.570   6.160  -8.770
  386   2HG   ARG  50          HG1       ARG  50   6.774   7.031  -7.821
  387   1HD   ARG  50          HD2       ARG  50   7.891   7.478  -9.721
  388   2HD   ARG  50          HD1       ARG  50   8.188   5.750  -9.912
  389    HE   ARG  50           HE       ARG  50   5.546   6.433 -10.845
  390   1HH1  ARG  50          HH21      ARG  50   7.185   8.518 -12.205
  391   2HH1  ARG  50          HH22      ARG  50   7.702   7.704 -13.644
  392   1HH2  ARG  50          HH11      ARG  50   6.951   4.539 -12.440
  393   2HH2  ARG  50          HH12      ARG  50   7.570   5.451 -13.776
  394    H    ASP  51           HN       ASP  51   7.318   3.222  -5.297
  395    HA   ASP  51           HA       ASP  51   7.558   0.591  -6.580
  396   1HB   ASP  51          HB2       ASP  51   8.707   1.732  -4.023
  397   2HB   ASP  51          HB1       ASP  51   9.060   0.109  -4.625
  398    H    ILE  52           HN       ILE  52   6.208   1.782  -3.482
  399    HA   ILE  52           HA       ILE  52   5.520  -0.748  -2.458
  400    HB   ILE  52           HB       ILE  52   4.534   2.019  -2.019
  401   1HG1  ILE  52          HG12      ILE  52   5.613  -0.254  -0.352
  402   2HG1  ILE  52          HG11      ILE  52   6.387   1.286  -0.723
  403   1HG2  ILE  52          HG21      ILE  52   2.754   1.258  -0.492
  404   2HG2  ILE  52          HG22      ILE  52   3.058  -0.415  -0.961
  405   3HG2  ILE  52          HG23      ILE  52   2.416   0.728  -2.141
  406   1HD1  ILE  52          HD11      ILE  52   3.823   1.027   0.869
  407   2HD1  ILE  52          HD12      ILE  52   4.771   2.492   0.619
  408   3HD1  ILE  52          HD13      ILE  52   5.422   1.177   1.596
  409    HA   PRO  53           HA       PRO  53   1.374  -0.537  -4.706
  410   1HB   PRO  53          HB2       PRO  53   1.186   1.258  -6.773
  411   2HB   PRO  53          HB1       PRO  53   0.632   1.566  -5.117
  412   1HG   PRO  53          HG2       PRO  53   3.043   2.607  -6.529
  413   2HG   PRO  53          HG1       PRO  53   2.147   3.319  -5.177
  414   1HD   PRO  53          HD2       PRO  53   4.600   1.939  -4.986
  415   2HD   PRO  53          HD1       PRO  53   3.528   2.340  -3.627
  416    H    GLY  54           HN       GLY  54   3.956   0.544  -6.947
  417   1HA   GLY  54          HA2       GLY  54   3.315  -1.161  -9.084
  418   2HA   GLY  54          HA1       GLY  54   4.979  -0.702  -8.679
  419    H    PHE  55           HN       PHE  55   4.560  -1.899  -5.913
  420    HA   PHE  55           HA       PHE  55   5.428  -4.593  -6.640
  421   1HB   PHE  55          HB2       PHE  55   6.542  -3.951  -4.727
  422   2HB   PHE  55          HB1       PHE  55   5.190  -2.992  -4.130
  423    HD1  PHE  55           HD1      PHE  55   5.285  -6.572  -5.228
  424    HD2  PHE  55           HD2      PHE  55   4.727  -3.821  -1.985
  425    HE1  PHE  55           HE1      PHE  55   4.555  -8.433  -3.778
  426    HE2  PHE  55           HE2      PHE  55   3.996  -5.689  -0.542
  427    HZ   PHE  55           HZ       PHE  55   3.901  -7.996  -1.435
  428    H    CYS  56           HN       CYS  56   2.613  -3.277  -4.798
  429    HA   CYS  56           HA       CYS  56   1.306  -5.759  -4.443
  430   1HB   CYS  56          HB2       CYS  56   0.311  -2.936  -4.736
  431   2HB   CYS  56          HB1       CYS  56  -0.819  -4.275  -4.526
  432    HG   CYS  56           HG       CYS  56  -0.122  -4.515  -2.147
  433    H    THR  57           HN       THR  57   1.306  -3.605  -7.249
  434    HA   THR  57           HA       THR  57  -0.751  -5.006  -8.686
  435    HB   THR  57           HB       THR  57   1.594  -3.484  -9.848
  436    HG1  THR  57           HG1      THR  57   0.563  -2.144  -8.427
  437   1HG2  THR  57          HG21      THR  57  -1.194  -4.074 -10.879
  438   2HG2  THR  57          HG22      THR  57   0.301  -4.800 -11.469
  439   3HG2  THR  57          HG23      THR  57   0.005  -3.077 -11.701
  440    H    PHE  58           HN       PHE  58   2.713  -5.507  -8.355
  441    HA   PHE  58           HA       PHE  58   2.905  -7.439 -10.507
  442   1HB   PHE  58          HB2       PHE  58   4.760  -6.007  -9.283
  443   2HB   PHE  58          HB1       PHE  58   4.841  -7.418  -8.225
  444    HD1  PHE  58           HD1      PHE  58   6.014  -6.009 -11.257
  445    HD2  PHE  58           HD2      PHE  58   4.916  -9.753  -9.459
  446    HE1  PHE  58           HE1      PHE  58   7.347  -7.220 -12.964
  447    HE2  PHE  58           HE2      PHE  58   6.248 -10.963 -11.166
  448    HZ   PHE  58           HZ       PHE  58   7.464  -9.697 -12.918
  449    H    MET  59           HN       MET  59   2.168  -7.699  -7.052
  450    HA   MET  59           HA       MET  59   2.483 -10.617  -7.155
  451   1HB   MET  59          HB2       MET  59   1.990  -8.637  -5.040
  452   2HB   MET  59          HB1       MET  59   1.373 -10.258  -4.757
  453   1HG   MET  59          HG2       MET  59   4.233  -9.550  -5.476
  454   2HG   MET  59          HG1       MET  59   3.663 -10.037  -3.881
  455   1HE   MET  59          HE1       MET  59   5.647 -11.847  -6.801
  456   2HE   MET  59          HE2       MET  59   4.504 -10.584  -7.247
  457   3HE   MET  59          HE3       MET  59   4.191 -12.252  -7.720
  458    H    GLU  60           HN       GLU  60   0.169  -8.738  -8.378
  459    HA   GLU  60           HA       GLU  60  -1.946  -9.422  -9.207
  460   1HB   GLU  60          HB2       GLU  60  -1.058 -11.806  -8.656
  461   2HB   GLU  60          HB1       GLU  60  -2.040 -11.659  -7.198
  462   1HG   GLU  60          HG2       GLU  60  -4.049 -11.364  -8.469
  463   2HG   GLU  60          HG1       GLU  60  -3.145 -11.150  -9.969
  464    H    HIS  61           HN       HIS  61  -1.291  -7.774  -6.754
  465    HA   HIS  61           HA       HIS  61  -3.773  -8.077  -5.180
  466   1HB   HIS  61          HB2       HIS  61  -1.475  -6.129  -4.816
  467   2HB   HIS  61          HB1       HIS  61  -2.743  -6.501  -3.655
  468    HD1  HIS  61           HD1      HIS  61  -2.271  -9.649  -4.925
  469    HD2  HIS  61           HD2      HIS  61   0.187  -7.258  -2.558
  470    HE1  HIS  61           HE1      HIS  61  -0.628 -11.205  -3.806
  471    H    GLU  62           HN       GLU  62  -4.820  -5.778  -4.676
  472    HA   GLU  62           HA       GLU  62  -4.865  -4.277  -7.266
  473   1HB   GLU  62          HB2       GLU  62  -7.050  -5.304  -5.546
  474   2HB   GLU  62          HB1       GLU  62  -7.305  -3.750  -6.320
  475   1HG   GLU  62          HG2       GLU  62  -7.719  -4.771  -8.288
  476   2HG   GLU  62          HG1       GLU  62  -6.149  -5.574  -8.223
  477    H    LEU  63           HN       LEU  63  -4.866  -2.101  -7.160
  478    HA   LEU  63           HA       LEU  63  -4.261  -0.829  -4.564
  479   1HB   LEU  63          HB2       LEU  63  -2.929   0.146  -6.236
  480   2HB   LEU  63          HB1       LEU  63  -4.186  -0.002  -7.460
  481    HG   LEU  63           HG       LEU  63  -5.483   1.770  -6.127
  482   1HD1  LEU  63          HD11      LEU  63  -3.290   1.381  -4.367
  483   2HD1  LEU  63          HD12      LEU  63  -4.601   2.549  -4.210
  484   3HD1  LEU  63          HD13      LEU  63  -3.117   2.998  -5.048
  485   1HD2  LEU  63          HD21      LEU  63  -4.667   3.269  -7.617
  486   2HD2  LEU  63          HD22      LEU  63  -3.615   1.958  -8.151
  487   3HD2  LEU  63          HD23      LEU  63  -3.027   3.138  -6.979
  488    H    VAL  64           HN       VAL  64  -6.209  -0.747  -3.370
  489    HA   VAL  64           HA       VAL  64  -8.715  -0.423  -4.688
  490    HB   VAL  64           HB       VAL  64  -7.825  -0.292  -1.808
  491   1HG1  VAL  64          HG11      VAL  64  -9.834   0.985  -1.920
  492   2HG1  VAL  64          HG12      VAL  64 -10.311  -0.637  -1.412
  493   3HG1  VAL  64          HG13      VAL  64 -10.547  -0.131  -3.083
  494   1HG2  VAL  64          HG21      VAL  64  -9.655  -2.384  -2.726
  495   2HG2  VAL  64          HG22      VAL  64  -8.148  -2.528  -1.823
  496   3HG2  VAL  64          HG23      VAL  64  -8.114  -2.400  -3.582
  497    H    ALA  65           HN       ALA  65  -6.738   1.917  -2.724
  498    HA   ALA  65           HA       ALA  65  -8.037   4.046  -4.355
  499   1HB   ALA  65          HB1       ALA  65  -8.676   3.502  -1.554
  500   2HB   ALA  65          HB2       ALA  65  -9.515   4.527  -2.719
  501   3HB   ALA  65          HB3       ALA  65  -8.138   5.160  -1.818
  502    H    LYS  66           HN       LYS  66  -6.482   5.627  -4.868
  503    HA   LYS  66           HA       LYS  66  -3.956   5.453  -3.358
  504   1HB   LYS  66          HB2       LYS  66  -4.337   7.196  -5.733
  505   2HB   LYS  66          HB1       LYS  66  -2.904   6.304  -5.224
  506   1HG   LYS  66          HG2       LYS  66  -3.584   4.933  -6.878
  507   2HG   LYS  66          HG1       LYS  66  -4.571   4.254  -5.613
  508   1HD   LYS  66          HD2       LYS  66  -6.349   4.675  -6.941
  509   2HD   LYS  66          HD1       LYS  66  -6.083   6.381  -6.583
  510   1HE   LYS  66          HE2       LYS  66  -4.555   6.544  -8.523
  511   2HE   LYS  66          HE1       LYS  66  -4.850   4.844  -8.890
  512   1HZ   LYS  66          HZ1       LYS  66  -7.204   5.357  -9.152
  513   2HZ   LYS  66          HZ2       LYS  66  -6.255   6.269 -10.226
  514   3HZ   LYS  66          HZ3       LYS  66  -6.899   6.994  -8.830
  515    H    GLU  67           HN       GLU  67  -2.866   7.418  -2.813
  516    HA   GLU  67           HA       GLU  67  -4.601   9.785  -2.413
  517   1HB   GLU  67          HB2       GLU  67  -3.295   8.121  -0.372
  518   2HB   GLU  67          HB1       GLU  67  -3.262   9.841  -0.115
  519   1HG   GLU  67          HG2       GLU  67  -5.841   8.532  -0.888
  520   2HG   GLU  67          HG1       GLU  67  -5.291   8.420   0.783
  521    H    THR  68           HN       THR  68  -3.523  11.335  -3.536
  522    HA   THR  68           HA       THR  68  -0.602  11.681  -3.003
  523    HB   THR  68           HB       THR  68  -0.154  12.075  -5.347
  524    HG1  THR  68           HG1      THR  68  -1.721  12.286  -6.804
  525   1HG2  THR  68          HG21      THR  68  -1.813   9.589  -4.872
  526   2HG2  THR  68          HG22      THR  68  -0.059   9.742  -4.778
  527   3HG2  THR  68          HG23      THR  68  -0.871   9.859  -6.338
  528    H    ASP  69           HN       ASP  69  -3.006  12.987  -1.956
  529    HA   ASP  69           HA       ASP  69  -3.246  15.558  -3.321
  530   1HB   ASP  69          HB2       ASP  69  -4.149  14.732  -0.557
  531   2HB   ASP  69          HB1       ASP  69  -4.673  16.179  -1.419
  532    H    GLY  70           HN       GLY  70  -0.768  14.349  -1.705
  533   1HA   GLY  70          HA2       GLY  70   1.053  16.102  -1.432
  534   2HA   GLY  70          HA1       GLY  70  -0.063  16.835  -0.310
  535    H    LEU  71           HN       LEU  71   2.540  15.167  -0.349
  536    HA   LEU  71           HA       LEU  71   2.538  12.857   1.037
  537   1HB   LEU  71          HB2       LEU  71   4.230  15.258   1.753
  538   2HB   LEU  71          HB1       LEU  71   4.546  13.619   2.281
  539    HG   LEU  71           HG       LEU  71   4.153  14.028  -0.610
  540   1HD1  LEU  71          HD11      LEU  71   6.881  14.496   0.531
  541   2HD1  LEU  71          HD12      LEU  71   5.750  15.847   0.453
  542   3HD1  LEU  71          HD13      LEU  71   6.225  15.007  -1.024
  543   1HD2  LEU  71          HD21      LEU  71   4.548  11.796   0.130
  544   2HD2  LEU  71          HD22      LEU  71   5.863  12.310   1.185
  545   3HD2  LEU  71          HD23      LEU  71   6.075  12.340  -0.565
  546    HA   PRO  72           HA       PRO  72   3.390  11.816   2.478
  547   1HB   PRO  72          HB2       PRO  72   2.370   9.821   4.024
  548   2HB   PRO  72          HB1       PRO  72   3.614  10.939   4.614
  549   1HG   PRO  72          HG2       PRO  72   0.703  10.868   5.217
  550   2HG   PRO  72          HG1       PRO  72   2.032  11.434   6.245
  551   1HD   PRO  72          HD2       PRO  72   0.269  13.087   4.782
  552   2HD   PRO  72          HD1       PRO  72   1.831  13.598   5.460
  553    H    TYR  73           HN       TYR  73   2.814  10.206   0.988
  554    HA   TYR  73           HA       TYR  73   0.213  10.309  -0.216
  555   1HB   TYR  73          HB2       TYR  73   2.102   8.061  -0.637
  556   2HB   TYR  73          HB1       TYR  73   1.007   8.798  -1.797
  557    HD1  TYR  73           HD1      TYR  73   4.260   8.696  -0.452
  558    HD2  TYR  73           HD2      TYR  73   1.516  11.228  -2.521
  559    HE1  TYR  73           HE1      TYR  73   6.169  10.032  -1.289
  560    HE2  TYR  73           HE2      TYR  73   3.389  12.620  -3.337
  561    HH   TYR  73           HH       TYR  73   6.644  11.596  -3.149
  562    H    ARG  74           HN       ARG  74  -1.152   8.301  -0.545
  563    HA   ARG  74           HA       ARG  74  -0.740   6.187   1.416
  564   1HB   ARG  74          HB2       ARG  74  -3.045   8.097   1.487
  565   2HB   ARG  74          HB1       ARG  74  -3.281   6.404   1.940
  566   1HG   ARG  74          HG2       ARG  74  -1.968   6.546   3.775
  567   2HG   ARG  74          HG1       ARG  74  -0.930   7.764   3.079
  568   1HD   ARG  74          HD2       ARG  74  -3.322   9.103   3.240
  569   2HD   ARG  74          HD1       ARG  74  -3.382   8.085   4.678
  570    HE   ARG  74           HE       ARG  74  -0.927   9.690   4.213
  571   1HH1  ARG  74          HH11      ARG  74  -4.021  10.209   5.365
  572   2HH1  ARG  74          HH12      ARG  74  -3.545  10.698   6.957
  573   1HH2  ARG  74          HH21      ARG  74  -0.218   9.824   6.517
  574   2HH2  ARG  74          HH22      ARG  74  -1.392  10.480   7.609
  575    H    TYR  75           HN       TYR  75  -1.887   4.310   0.830
  576    HA   TYR  75           HA       TYR  75  -3.410   4.396  -1.661
  577   1HB   TYR  75          HB2       TYR  75  -1.213   2.425  -1.647
  578   2HB   TYR  75          HB1       TYR  75  -1.988   3.237  -3.008
  579    HD1  TYR  75           HD1      TYR  75  -1.506   5.804  -3.253
  580    HD2  TYR  75           HD2      TYR  75   0.757   3.140  -0.842
  581    HE1  TYR  75           HE1      TYR  75   0.414   7.370  -3.372
  582    HE2  TYR  75           HE2      TYR  75   2.708   4.692  -0.922
  583    HH   TYR  75           HH       TYR  75   3.481   6.618  -1.704
  584    H    LEU  76           HN       LEU  76  -5.080   2.945  -1.347
  585    HA   LEU  76           HA       LEU  76  -4.733   1.031   0.770
  586   1HB   LEU  76          HB2       LEU  76  -6.914   2.140   0.578
  587   2HB   LEU  76          HB1       LEU  76  -7.113   1.482  -1.029
  588    HG   LEU  76           HG       LEU  76  -6.720  -0.803   0.048
  589   1HD1  LEU  76          HD11      LEU  76  -7.391   0.821   2.508
  590   2HD1  LEU  76          HD12      LEU  76  -5.833   0.068   2.174
  591   3HD1  LEU  76          HD13      LEU  76  -7.260  -0.936   2.436
  592   1HD2  LEU  76          HD21      LEU  76  -8.898  -0.925  -0.297
  593   2HD2  LEU  76          HD22      LEU  76  -8.983   0.837  -0.284
  594   3HD2  LEU  76          HD23      LEU  76  -9.206  -0.069   1.212
  595    H    ILE  77           HN       ILE  77  -4.929  -1.340   0.213
  596    HA   ILE  77           HA       ILE  77  -4.909  -1.880  -2.675
  597    HB   ILE  77           HB       ILE  77  -2.799  -2.950  -0.798
  598   1HG1  ILE  77          HG12      ILE  77  -2.873  -0.525  -2.585
  599   2HG1  ILE  77          HG11      ILE  77  -2.340  -0.640  -0.911
  600   1HG2  ILE  77          HG21      ILE  77  -2.394  -2.811  -3.735
  601   2HG2  ILE  77          HG22      ILE  77  -3.624  -3.954  -3.194
  602   3HG2  ILE  77          HG23      ILE  77  -1.971  -4.095  -2.603
  603   1HD1  ILE  77          HD11      ILE  77  -0.912  -1.996  -3.212
  604   2HD1  ILE  77          HD12      ILE  77  -0.349  -1.838  -1.548
  605   3HD1  ILE  77          HD13      ILE  77  -0.463  -0.413  -2.579
  606    H    ARG  78           HN       ARG  78  -6.661  -3.241  -2.793
  607    HA   ARG  78           HA       ARG  78  -7.354  -5.016  -0.598
  608   1HB   ARG  78          HB2       ARG  78  -9.161  -4.337  -1.990
  609   2HB   ARG  78          HB1       ARG  78  -8.289  -4.764  -3.461
  610   1HG   ARG  78          HG2       ARG  78  -8.374  -7.158  -2.790
  611   2HG   ARG  78          HG1       ARG  78  -9.315  -6.705  -1.369
  612   1HD   ARG  78          HD2       ARG  78 -10.145  -6.142  -4.229
  613   2HD   ARG  78          HD1       ARG  78 -10.753  -7.479  -3.253
  614    HE   ARG  78           HE       ARG  78 -11.154  -4.623  -2.453
  615   1HH1  ARG  78          HH11      ARG  78 -11.836  -7.695  -1.447
  616   2HH1  ARG  78          HH12      ARG  78 -13.558  -7.522  -1.420
  617   1HH2  ARG  78          HH21      ARG  78 -13.542  -4.460  -3.047
  618   2HH2  ARG  78          HH22      ARG  78 -14.525  -5.690  -2.325
  619    H    LYS  79           HN       LYS  79  -5.946  -6.653  -0.104
  620    HA   LYS  79           HA       LYS  79  -4.064  -7.876  -1.822
  621   1HB   LYS  79          HB2       LYS  79  -4.388  -8.124   0.752
  622   2HB   LYS  79          HB1       LYS  79  -5.501  -9.419   0.333
  623   1HG   LYS  79          HG2       LYS  79  -3.152 -10.215   0.749
  624   2HG   LYS  79          HG1       LYS  79  -3.777 -10.632  -0.843
  625   1HD   LYS  79          HD2       LYS  79  -1.428  -9.758  -0.889
  626   2HD   LYS  79          HD1       LYS  79  -2.539  -8.812  -1.870
  627   1HE   LYS  79          HE2       LYS  79  -2.716  -7.584   0.604
  628   2HE   LYS  79          HE1       LYS  79  -1.019  -8.030   0.515
  629   1HZ   LYS  79          HZ1       LYS  79  -2.010  -6.957  -1.944
  630   2HZ   LYS  79          HZ2       LYS  79  -0.642  -6.511  -1.039
  631   3HZ   LYS  79          HZ3       LYS  79  -2.165  -5.861  -0.658
  632    H    GLY  80           HN       GLY  80  -4.229  -9.632  -3.250
  633   1HA   GLY  80          HA2       GLY  80  -6.543 -11.343  -3.401
  634   2HA   GLY  80          HA1       GLY  80  -6.623 -10.088  -4.637
  635    H    GLY  81           HN       GLY  81  -6.478 -12.241  -5.941
  636   1HA   GLY  81          HA2       GLY  81  -5.090 -13.134  -7.671
  637   2HA   GLY  81          HA1       GLY  81  -3.677 -12.492  -6.833
  Start of MODEL    4
    1   1H    MET   1          HT1       MET   1 -22.238   7.442  -0.608
    2   2H    MET   1          HT2       MET   1 -22.658   9.019  -0.132
    3   3H    MET   1          HT3       MET   1 -22.586   7.771   1.019
    4    HA   MET   1           HA       MET   1 -20.282   8.860  -0.507
    5   1HB   MET   1          HB2       MET   1 -21.332   9.266   2.289
    6   2HB   MET   1          HB1       MET   1 -19.615   9.461   1.936
    7   1HG   MET   1          HG2       MET   1 -19.976  11.281   0.517
    8   2HG   MET   1          HG1       MET   1 -21.652  10.831   0.203
    9   1HE   MET   1          HE1       MET   1 -22.139  12.941   0.218
   10   2HE   MET   1          HE2       MET   1 -21.758  14.183   1.408
   11   3HE   MET   1          HE3       MET   1 -23.275  13.295   1.526
   12    H    THR   2           HN       THR   2 -19.197   6.975  -1.012
   13    HA   THR   2           HA       THR   2 -18.828   4.986   1.189
   14    HB   THR   2           HB       THR   2 -18.647   4.703  -1.822
   15    HG1  THR   2           HG1      THR   2 -20.160   3.078  -0.146
   16   1HG2  THR   2          HG21      THR   2 -17.616   2.995   0.402
   17   2HG2  THR   2          HG22      THR   2 -16.954   3.255  -1.212
   18   3HG2  THR   2          HG23      THR   2 -18.343   2.192  -0.989
   19    H    ASP   3           HN       ASP   3 -16.852   5.032   2.135
   20    HA   ASP   3           HA       ASP   3 -14.628   6.396   0.716
   21   1HB   ASP   3          HB2       ASP   3 -14.664   5.380   3.569
   22   2HB   ASP   3          HB1       ASP   3 -13.556   6.556   2.862
   23    H    LEU   4           HN       LEU   4 -12.994   5.227  -0.178
   24    HA   LEU   4           HA       LEU   4 -13.062   2.307   0.002
   25   1HB   LEU   4          HB2       LEU   4 -11.448   4.326  -1.530
   26   2HB   LEU   4          HB1       LEU   4 -10.872   2.663  -1.419
   27    HG   LEU   4           HG       LEU   4 -13.652   3.441  -2.343
   28   1HD1  LEU   4          HD11      LEU   4 -12.843   2.878  -4.601
   29   2HD1  LEU   4          HD12      LEU   4 -11.228   2.588  -3.956
   30   3HD1  LEU   4          HD13      LEU   4 -11.912   4.214  -3.923
   31   1HD2  LEU   4          HD21      LEU   4 -12.514   0.845  -3.106
   32   2HD2  LEU   4          HD22      LEU   4 -14.094   1.217  -2.418
   33   3HD2  LEU   4          HD23      LEU   4 -12.694   1.034  -1.362
   34    H    PHE   5           HN       PHE   5 -11.196   4.931   1.398
   35    HA   PHE   5           HA       PHE   5  -9.150   3.103   2.453
   36   1HB   PHE   5          HB2       PHE   5  -9.619   6.050   2.461
   37   2HB   PHE   5          HB1       PHE   5  -8.634   5.374   3.759
   38    HD1  PHE   5           HD1      PHE   5  -6.670   6.610   2.849
   39    HD2  PHE   5           HD2      PHE   5  -8.706   3.609   0.565
   40    HE1  PHE   5           HE1      PHE   5  -4.751   6.439   1.299
   41    HE2  PHE   5           HE2      PHE   5  -6.754   3.464  -0.954
   42    HZ   PHE   5           HZ       PHE   5  -4.782   4.930  -0.613
   43    H    SER   6           HN       SER   6 -12.196   3.198   3.229
   44    HA   SER   6           HA       SER   6 -12.559   3.973   5.885
   45   1HB   SER   6          HB2       SER   6 -13.551   1.452   4.519
   46   2HB   SER   6          HB1       SER   6 -14.155   2.045   6.063
   47    HG   SER   6           HG       SER   6 -15.163   2.684   3.864
   48    H    SER   7           HN       SER   7 -12.696   2.245   7.791
   49    HA   SER   7           HA       SER   7 -10.135   1.555   8.608
   50   1HB   SER   7          HB2       SER   7 -12.769   1.006   9.486
   51   2HB   SER   7          HB1       SER   7 -11.856  -0.493   9.540
   52    HG   SER   7           HG       SER   7 -10.380   0.458  10.864
   53    HA   PRO   8           HA       PRO   8  -9.489  -1.603   5.450
   54   1HB   PRO   8          HB2       PRO   8  -6.750  -1.518   5.631
   55   2HB   PRO   8          HB1       PRO   8  -7.706  -0.394   4.654
   56   1HG   PRO   8          HG2       PRO   8  -6.357   0.081   7.274
   57   2HG   PRO   8          HG1       PRO   8  -6.732   1.231   5.981
   58   1HD   PRO   8          HD2       PRO   8  -8.186   0.928   8.379
   59   2HD   PRO   8          HD1       PRO   8  -8.744   1.786   6.930
   60    H    ASP   9           HN       ASP   9  -8.345  -3.743   5.549
   61    HA   ASP   9           HA       ASP   9  -8.679  -4.949   8.184
   62   1HB   ASP   9          HB2       ASP   9  -7.618  -6.081   5.575
   63   2HB   ASP   9          HB1       ASP   9  -7.946  -7.033   7.023
   64    H    HIS  10           HN       HIS  10  -6.055  -3.628   6.328
   65    HA   HIS  10           HA       HIS  10  -4.216  -4.247   8.575
   66   1HB   HIS  10          HB2       HIS  10  -3.887  -5.060   5.695
   67   2HB   HIS  10          HB1       HIS  10  -2.475  -4.739   6.695
   68    HD1  HIS  10           HD1      HIS  10  -1.672  -6.685   8.050
   69    HD2  HIS  10           HD2      HIS  10  -5.698  -7.062   7.035
   70    HE1  HIS  10           HE1      HIS  10  -2.419  -8.945   8.915
   71    H    THR  11           HN       THR  11  -2.073  -2.958   8.167
   72    HA   THR  11           HA       THR  11  -2.510  -0.529   6.526
   73    HB   THR  11           HB       THR  11  -1.790  -0.444   9.456
   74    HG1  THR  11           HG1      THR  11  -3.899  -0.699   9.534
   75   1HG2  THR  11          HG21      THR  11  -0.780   1.450   8.587
   76   2HG2  THR  11          HG22      THR  11  -2.401   2.077   8.884
   77   3HG2  THR  11          HG23      THR  11  -1.933   1.578   7.258
   78    H    LEU  12           HN       LEU  12  -0.465   0.718   6.317
   79    HA   LEU  12           HA       LEU  12   2.000  -0.724   7.122
   80   1HB   LEU  12          HB2       LEU  12   1.699  -1.693   4.964
   81   2HB   LEU  12          HB1       LEU  12   1.188  -0.156   4.275
   82    HG   LEU  12           HG       LEU  12   3.410   0.737   4.275
   83   1HD1  LEU  12          HD11      LEU  12   5.219  -0.765   5.499
   84   2HD1  LEU  12          HD12      LEU  12   3.830  -1.325   6.429
   85   3HD1  LEU  12          HD13      LEU  12   4.253   0.386   6.420
   86   1HD2  LEU  12          HD21      LEU  12   3.290  -2.190   3.616
   87   2HD2  LEU  12          HD22      LEU  12   4.844  -1.362   3.556
   88   3HD2  LEU  12          HD23      LEU  12   3.513  -0.807   2.546
   89    H    ASP  13           HN       ASP  13   2.972   0.939   8.222
   90    HA   ASP  13           HA       ASP  13   2.717   3.713   7.338
   91   1HB   ASP  13          HB2       ASP  13   3.138   2.939   9.750
   92   2HB   ASP  13          HB1       ASP  13   4.793   2.594   9.247
   93    H    ALA  14           HN       ALA  14   4.115   4.744   5.882
   94    HA   ALA  14           HA       ALA  14   6.680   3.367   5.314
   95   1HB   ALA  14          HB1       ALA  14   4.703   2.846   3.647
   96   2HB   ALA  14          HB2       ALA  14   6.348   3.100   3.067
   97   3HB   ALA  14          HB3       ALA  14   5.168   4.408   2.973
   98    H    LEU  15           HN       LEU  15   5.442   5.756   6.599
   99    HA   LEU  15           HA       LEU  15   6.562   8.074   5.279
  100   1HB   LEU  15          HB2       LEU  15   5.739   7.830   8.165
  101   2HB   LEU  15          HB1       LEU  15   5.762   9.239   7.128
  102    HG   LEU  15           HG       LEU  15   4.014   6.905   6.460
  103   1HD1  LEU  15          HD11      LEU  15   3.774   8.543   8.778
  104   2HD1  LEU  15          HD12      LEU  15   2.610   7.374   8.156
  105   3HD1  LEU  15          HD13      LEU  15   2.529   9.059   7.641
  106   1HD2  LEU  15          HD21      LEU  15   4.480   9.672   5.541
  107   2HD2  LEU  15          HD22      LEU  15   2.786   9.209   5.676
  108   3HD2  LEU  15          HD23      LEU  15   3.875   8.276   4.648
  109    H    GLY  16           HN       GLY  16   8.699   7.963   5.138
  110   1HA   GLY  16          HA2       GLY  16  10.880   8.340   6.167
  111   2HA   GLY  16          HA1       GLY  16  10.280   7.532   7.624
  112    H    LEU  17           HN       LEU  17   9.000   5.734   5.271
  113    HA   LEU  17           HA       LEU  17  11.129   3.702   5.383
  114   1HB   LEU  17          HB2       LEU  17   8.292   3.654   4.308
  115   2HB   LEU  17          HB1       LEU  17   9.399   2.289   4.225
  116    HG   LEU  17           HG       LEU  17   7.971   3.438   6.569
  117   1HD1  LEU  17          HD11      LEU  17   8.958   0.633   6.046
  118   2HD1  LEU  17          HD12      LEU  17   7.516   1.257   5.246
  119   3HD1  LEU  17          HD13      LEU  17   7.567   1.138   7.005
  120   1HD2  LEU  17          HD21      LEU  17   9.690   2.146   7.992
  121   2HD2  LEU  17          HD22      LEU  17  10.137   3.755   7.424
  122   3HD2  LEU  17          HD23      LEU  17  10.763   2.324   6.604
  123    H    ARG  18           HN       ARG  18  12.060   2.927   3.444
  124    HA   ARG  18           HA       ARG  18  11.201   4.359   1.001
  125   1HB   ARG  18          HB2       ARG  18  13.699   4.754   0.498
  126   2HB   ARG  18          HB1       ARG  18  12.870   5.809   1.646
  127   1HG   ARG  18          HG2       ARG  18  14.167   5.129   3.372
  128   2HG   ARG  18          HG1       ARG  18  13.991   3.431   2.926
  129   1HD   ARG  18          HD2       ARG  18  16.096   3.454   2.135
  130   2HD   ARG  18          HD1       ARG  18  15.598   4.635   0.923
  131    HE   ARG  18           HE       ARG  18  16.552   5.452   3.639
  132   1HH1  ARG  18          HH21      ARG  18  18.680   5.309   1.597
  133   2HH1  ARG  18          HH22      ARG  18  18.672   6.901   0.915
  134   1HH2  ARG  18          HH11      ARG  18  15.539   7.707   2.167
  135   2HH2  ARG  18          HH12      ARG  18  16.893   8.259   1.238
  136    H    CYS  19           HN       CYS  19  11.701   3.247  -0.890
  137    HA   CYS  19           HA       CYS  19  11.590   0.462  -0.824
  138   1HB   CYS  19          HB2       CYS  19  11.215   1.540  -2.901
  139   2HB   CYS  19          HB1       CYS  19  12.807   2.292  -2.896
  140    HG   CYS  19           HG       CYS  19  13.666   0.267  -4.027
  141    HA   PRO  20           HA       PRO  20  12.050  -1.300  -1.513
  142   1HB   PRO  20          HB2       PRO  20  12.927  -3.706  -0.564
  143   2HB   PRO  20          HB1       PRO  20  13.487  -3.021  -2.100
  144   1HG   PRO  20          HG2       PRO  20  14.936  -3.246   0.490
  145   2HG   PRO  20          HG1       PRO  20  15.589  -3.125  -1.148
  146   1HD   PRO  20          HD2       PRO  20  15.395  -1.028   0.780
  147   2HD   PRO  20          HD1       PRO  20  15.886  -0.873  -0.921
  148    H    GLU  21           HN       GLU  21  13.049  -0.396   1.524
  149    HA   GLU  21           HA       GLU  21  11.968  -2.175   3.353
  150   1HB   GLU  21          HB2       GLU  21  12.287   0.765   3.434
  151   2HB   GLU  21          HB1       GLU  21  11.533  -0.061   4.787
  152   1HG   GLU  21          HG2       GLU  21  13.689  -1.656   4.407
  153   2HG   GLU  21          HG1       GLU  21  14.356  -0.115   3.868
  154    HA   PRO  22           HA       PRO  22   7.710  -0.072   3.293
  155   1HB   PRO  22          HB2       PRO  22   7.118   1.295   0.977
  156   2HB   PRO  22          HB1       PRO  22   7.754   2.059   2.432
  157   1HG   PRO  22          HG2       PRO  22   9.159   1.408  -0.114
  158   2HG   PRO  22          HG1       PRO  22   9.486   2.707   1.048
  159   1HD   PRO  22          HD2       PRO  22  10.949   0.342   0.844
  160   2HD   PRO  22          HD1       PRO  22  10.944   1.396   2.266
  161    H    VAL  23           HN       VAL  23   8.534  -0.474  -0.126
  162    HA   VAL  23           HA       VAL  23   6.433  -2.153  -0.913
  163    HB   VAL  23           HB       VAL  23   9.358  -2.413  -1.666
  164   1HG1  VAL  23          HG11      VAL  23   6.808  -3.556  -2.730
  165   2HG1  VAL  23          HG12      VAL  23   8.409  -4.289  -2.633
  166   3HG1  VAL  23          HG13      VAL  23   8.057  -3.105  -3.892
  167   1HG2  VAL  23          HG21      VAL  23   9.097  -0.367  -2.586
  168   2HG2  VAL  23          HG22      VAL  23   7.382  -0.346  -2.181
  169   3HG2  VAL  23          HG23      VAL  23   7.923  -1.085  -3.688
  170    H    MET  24           HN       MET  24   9.189  -2.788   1.160
  171    HA   MET  24           HA       MET  24   8.996  -5.691   1.038
  172   1HB   MET  24          HB2       MET  24  10.464  -3.687   2.696
  173   2HB   MET  24          HB1       MET  24  10.291  -5.319   3.341
  174   1HG   MET  24          HG2       MET  24  10.989  -5.609   0.611
  175   2HG   MET  24          HG1       MET  24  12.072  -4.387   1.276
  176   1HE   MET  24          HE1       MET  24  12.053  -8.617   1.262
  177   2HE   MET  24          HE2       MET  24  10.646  -7.574   1.070
  178   3HE   MET  24          HE3       MET  24  10.917  -8.401   2.601
  179    H    MET  25           HN       MET  25   7.828  -3.202   3.300
  180    HA   MET  25           HA       MET  25   6.702  -4.992   5.207
  181   1HB   MET  25          HB2       MET  25   6.264  -2.128   4.461
  182   2HB   MET  25          HB1       MET  25   5.058  -2.909   5.485
  183   1HG   MET  25          HG2       MET  25   7.423  -3.732   6.638
  184   2HG   MET  25          HG1       MET  25   7.807  -2.089   6.127
  185   1HE   MET  25          HE1       MET  25   8.168  -0.976   7.745
  186   2HE   MET  25          HE2       MET  25   7.776  -1.575   9.354
  187   3HE   MET  25          HE3       MET  25   6.979  -0.128   8.742
  188    H    VAL  26           HN       VAL  26   5.306  -3.503   2.282
  189    HA   VAL  26           HA       VAL  26   2.690  -4.644   2.606
  190    HB   VAL  26           HB       VAL  26   4.225  -3.901   0.101
  191   1HG1  VAL  26          HG11      VAL  26   2.484  -4.615  -1.169
  192   2HG1  VAL  26          HG12      VAL  26   1.303  -3.907  -0.072
  193   3HG1  VAL  26          HG13      VAL  26   1.949  -5.513   0.248
  194   1HG2  VAL  26          HG21      VAL  26   2.445  -2.481   2.016
  195   2HG2  VAL  26          HG22      VAL  26   2.222  -2.111   0.307
  196   3HG2  VAL  26          HG23      VAL  26   3.794  -1.861   1.065
  197    H    ARG  27           HN       ARG  27   5.731  -5.938   1.458
  198    HA   ARG  27           HA       ARG  27   4.683  -8.236   0.093
  199   1HB   ARG  27          HB2       ARG  27   7.330  -7.583   1.346
  200   2HB   ARG  27          HB1       ARG  27   6.992  -9.237   0.816
  201   1HG   ARG  27          HG2       ARG  27   6.368  -7.001  -1.065
  202   2HG   ARG  27          HG1       ARG  27   8.057  -7.447  -0.844
  203   1HD   ARG  27          HD2       ARG  27   6.225  -9.734  -1.185
  204   2HD   ARG  27          HD1       ARG  27   6.366  -8.692  -2.598
  205    HE   ARG  27           HE       ARG  27   8.913  -9.516  -1.369
  206   1HH1  ARG  27          HH11      ARG  27   7.720  -8.747  -4.273
  207   2HH1  ARG  27          HH12      ARG  27   8.186 -10.189  -5.113
  208   1HH2  ARG  27          HH21      ARG  27   8.987 -11.930  -2.223
  209   2HH2  ARG  27          HH22      ARG  27   8.904 -11.991  -3.952
  210    H    LYS  28           HN       LYS  28   6.116  -8.004   3.319
  211    HA   LYS  28           HA       LYS  28   5.372 -10.639   4.152
  212   1HB   LYS  28          HB2       LYS  28   5.992  -8.135   5.743
  213   2HB   LYS  28          HB1       LYS  28   5.729  -9.713   6.485
  214   1HG   LYS  28          HG2       LYS  28   7.533 -10.399   4.587
  215   2HG   LYS  28          HG1       LYS  28   8.036  -8.735   4.893
  216   1HD   LYS  28          HD2       LYS  28   7.701 -10.909   6.982
  217   2HD   LYS  28          HD1       LYS  28   9.233 -10.253   6.399
  218   1HE   LYS  28          HE2       LYS  28   7.344  -8.199   7.333
  219   2HE   LYS  28          HE1       LYS  28   7.862  -9.317   8.595
  220   1HZ   LYS  28          HZ1       LYS  28   9.376  -7.460   8.437
  221   2HZ   LYS  28          HZ2       LYS  28   9.641  -7.769   6.788
  222   3HZ   LYS  28          HZ3       LYS  28  10.165  -8.883   7.959
  223    H    THR  29           HN       THR  29   3.793  -7.535   4.346
  224    HA   THR  29           HA       THR  29   1.543  -8.322   5.958
  225    HB   THR  29           HB       THR  29   2.285  -6.102   4.119
  226    HG1  THR  29           HG1      THR  29   2.442  -5.075   5.944
  227   1HG2  THR  29          HG21      THR  29   0.172  -5.750   3.445
  228   2HG2  THR  29          HG22      THR  29  -0.182  -5.320   5.118
  229   3HG2  THR  29          HG23      THR  29  -0.454  -6.967   4.558
  230    H    VAL  30           HN       VAL  30   2.408  -8.368   2.606
  231    HA   VAL  30           HA       VAL  30  -0.172  -9.113   1.526
  232    HB   VAL  30           HB       VAL  30   2.688  -9.081   0.586
  233   1HG1  VAL  30          HG11      VAL  30   2.004 -10.033  -1.569
  234   2HG1  VAL  30          HG12      VAL  30   0.392 -10.337  -0.918
  235   3HG1  VAL  30          HG13      VAL  30   1.787 -11.191  -0.257
  236   1HG2  VAL  30          HG21      VAL  30   0.275  -7.993  -0.849
  237   2HG2  VAL  30          HG22      VAL  30   1.948  -7.443  -0.932
  238   3HG2  VAL  30          HG23      VAL  30   0.980  -7.110   0.503
  239    H    ARG  31           HN       ARG  31   2.581 -10.675   2.927
  240    HA   ARG  31           HA       ARG  31   1.894 -13.390   2.169
  241   1HB   ARG  31          HB2       ARG  31   3.693 -12.287   4.349
  242   2HB   ARG  31          HB1       ARG  31   3.587 -13.993   3.915
  243   1HG   ARG  31          HG2       ARG  31   4.205 -13.307   1.538
  244   2HG   ARG  31          HG1       ARG  31   4.575 -11.716   2.185
  245   1HD   ARG  31          HD2       ARG  31   6.554 -13.289   2.009
  246   2HD   ARG  31          HD1       ARG  31   6.293 -12.580   3.602
  247    HE   ARG  31           HE       ARG  31   5.043 -15.213   3.161
  248   1HH1  ARG  31          HH21      ARG  31   8.224 -14.400   3.317
  249   2HH1  ARG  31          HH22      ARG  31   8.560 -15.150   4.842
  250   1HH2  ARG  31          HH11      ARG  31   5.223 -15.734   5.586
  251   2HH2  ARG  31          HH12      ARG  31   6.859 -15.906   6.127
  252    H    ASN  32           HN       ASN  32   1.166 -11.207   4.859
  253    HA   ASN  32           HA       ASN  32  -0.277 -13.458   6.197
  254   1HB   ASN  32          HB2       ASN  32  -0.528 -11.826   8.104
  255   2HB   ASN  32          HB1       ASN  32   1.139 -12.256   7.725
  256   1HD2  ASN  32          HD21      ASN  32  -1.279  -9.770   6.687
  257   2HD2  ASN  32          HD22      ASN  32  -0.161  -8.496   6.657
  258    H    MET  33           HN       MET  33  -0.956 -11.295   3.868
  259    HA   MET  33           HA       MET  33  -3.578 -10.423   4.903
  260   1HB   MET  33          HB2       MET  33  -1.938  -9.841   2.481
  261   2HB   MET  33          HB1       MET  33  -3.688  -9.701   2.319
  262   1HG   MET  33          HG2       MET  33  -3.410  -8.383   4.630
  263   2HG   MET  33          HG1       MET  33  -1.805  -8.090   3.981
  264   1HE   MET  33          HE1       MET  33  -5.664  -7.338   1.670
  265   2HE   MET  33          HE2       MET  33  -5.751  -7.216   3.426
  266   3HE   MET  33          HE3       MET  33  -5.214  -8.718   2.680
  267    H    GLN  34           HN       GLN  34  -5.493 -10.824   3.396
  268    HA   GLN  34           HA       GLN  34  -5.379 -13.588   2.265
  269   1HB   GLN  34          HB2       GLN  34  -7.714 -12.345   3.754
  270   2HB   GLN  34          HB1       GLN  34  -7.615 -13.998   3.143
  271   1HG   GLN  34          HG2       GLN  34  -6.646 -14.649   5.064
  272   2HG   GLN  34          HG1       GLN  34  -5.315 -13.528   4.769
  273   1HE2  GLN  34          HE21      GLN  34  -5.153 -12.823   6.997
  274   2HE2  GLN  34          HE22      GLN  34  -6.366 -11.894   7.737
  275    HA   PRO  35           HA       PRO  35  -7.076 -11.679  -1.285
  276   1HB   PRO  35          HB2       PRO  35  -8.471 -13.816  -2.347
  277   2HB   PRO  35          HB1       PRO  35  -6.713 -13.627  -2.449
  278   1HG   PRO  35          HG2       PRO  35  -8.310 -15.431  -0.679
  279   2HG   PRO  35          HG1       PRO  35  -6.673 -15.654  -1.320
  280   1HD   PRO  35          HD2       PRO  35  -7.281 -14.844   1.302
  281   2HD   PRO  35          HD1       PRO  35  -5.703 -14.640   0.507
  282    H    GLY  36           HN       GLY  36  -8.680 -10.275  -1.197
  283   1HA   GLY  36          HA2       GLY  36 -11.065  -9.744  -1.368
  284   2HA   GLY  36          HA1       GLY  36 -11.387 -11.123  -0.304
  285    H    GLU  37           HN       GLU  37  -8.621  -9.128   0.322
  286    HA   GLU  37           HA       GLU  37 -10.070  -7.912   2.647
  287   1HB   GLU  37          HB2       GLU  37  -7.448  -9.319   2.448
  288   2HB   GLU  37          HB1       GLU  37  -7.556  -7.952   3.551
  289   1HG   GLU  37          HG2       GLU  37  -9.798  -9.141   4.302
  290   2HG   GLU  37          HG1       GLU  37  -9.008 -10.570   3.635
  291    H    THR  38           HN       THR  38  -8.338  -6.077   3.538
  292    HA   THR  38           HA       THR  38  -7.425  -4.512   1.179
  293    HB   THR  38           HB       THR  38  -8.441  -2.487   2.554
  294    HG1  THR  38           HG1      THR  38  -9.211  -4.405   4.025
  295   1HG2  THR  38          HG21      THR  38  -9.284  -4.137   0.368
  296   2HG2  THR  38          HG22      THR  38  -9.598  -2.422   0.630
  297   3HG2  THR  38          HG23      THR  38 -10.708  -3.630   1.274
  298    H    LEU  39           HN       LEU  39  -5.857  -2.872   1.702
  299    HA   LEU  39           HA       LEU  39  -4.705  -2.924   4.449
  300   1HB   LEU  39          HB2       LEU  39  -3.433  -4.651   3.392
  301   2HB   LEU  39          HB1       LEU  39  -3.296  -3.735   1.894
  302    HG   LEU  39           HG       LEU  39  -2.124  -1.969   3.536
  303   1HD1  LEU  39          HD11      LEU  39  -0.621  -3.505   5.025
  304   2HD1  LEU  39          HD12      LEU  39  -1.978  -4.626   4.906
  305   3HD1  LEU  39          HD13      LEU  39  -2.214  -3.023   5.600
  306   1HD2  LEU  39          HD21      LEU  39   0.065  -3.161   2.962
  307   2HD2  LEU  39          HD22      LEU  39  -0.993  -2.801   1.598
  308   3HD2  LEU  39          HD23      LEU  39  -0.929  -4.435   2.257
  309    H    LEU  40           HN       LEU  40  -4.543  -0.743   4.941
  310    HA   LEU  40           HA       LEU  40  -4.265   1.222   2.761
  311   1HB   LEU  40          HB2       LEU  40  -5.795   1.863   4.508
  312   2HB   LEU  40          HB1       LEU  40  -4.612   1.490   5.763
  313    HG   LEU  40           HG       LEU  40  -3.124   3.274   4.718
  314   1HD1  LEU  40          HD11      LEU  40  -4.350   3.301   2.534
  315   2HD1  LEU  40          HD12      LEU  40  -4.188   4.903   3.253
  316   3HD1  LEU  40          HD13      LEU  40  -5.724   4.040   3.356
  317   1HD2  LEU  40          HD21      LEU  40  -4.902   3.466   6.699
  318   2HD2  LEU  40          HD22      LEU  40  -5.687   4.566   5.566
  319   3HD2  LEU  40          HD23      LEU  40  -4.040   4.885   6.107
  320    H    ILE  41           HN       ILE  41  -2.376   2.475   2.476
  321    HA   ILE  41           HA       ILE  41  -0.064   1.784   4.232
  322    HB   ILE  41           HB       ILE  41   0.168   1.944   1.230
  323   1HG1  ILE  41          HG12      ILE  41  -0.725  -0.352   2.971
  324   2HG1  ILE  41          HG11      ILE  41  -1.363   0.176   1.424
  325   1HG2  ILE  41          HG21      ILE  41   2.342   1.534   1.646
  326   2HG2  ILE  41          HG22      ILE  41   1.937   0.129   2.628
  327   3HG2  ILE  41          HG23      ILE  41   1.997   1.728   3.364
  328   1HD1  ILE  41          HD11      ILE  41   1.299  -0.464   0.872
  329   2HD1  ILE  41          HD12      ILE  41  -0.119  -1.430   0.463
  330   3HD1  ILE  41          HD13      ILE  41   0.753  -1.735   1.964
  331    H    ILE  42           HN       ILE  42   0.909   3.680   4.920
  332    HA   ILE  42           HA       ILE  42   0.447   6.103   3.271
  333    HB   ILE  42           HB       ILE  42   1.775   6.023   5.975
  334   1HG1  ILE  42          HG12      ILE  42  -1.135   5.802   5.256
  335   2HG1  ILE  42          HG11      ILE  42  -0.240   4.988   6.542
  336   1HG2  ILE  42          HG21      ILE  42   1.032   8.336   6.061
  337   2HG2  ILE  42          HG22      ILE  42   0.100   8.134   4.579
  338   3HG2  ILE  42          HG23      ILE  42   1.859   8.079   4.529
  339   1HD1  ILE  42          HD11      ILE  42  -1.598   6.665   7.586
  340   2HD1  ILE  42          HD12      ILE  42  -1.064   7.889   6.433
  341   3HD1  ILE  42          HD13      ILE  42   0.067   7.243   7.622
  342    H    ALA  43           HN       ALA  43   2.362   7.466   2.918
  343    HA   ALA  43           HA       ALA  43   4.983   6.283   3.334
  344   1HB   ALA  43          HB1       ALA  43   5.446   5.449   1.257
  345   2HB   ALA  43          HB2       ALA  43   4.467   6.668   0.441
  346   3HB   ALA  43          HB3       ALA  43   3.695   5.260   1.171
  347    H    ASP  44           HN       ASP  44   6.345   7.978   3.538
  348    HA   ASP  44           HA       ASP  44   5.492  10.535   2.276
  349   1HB   ASP  44          HB2       ASP  44   6.905  11.704   3.848
  350   2HB   ASP  44          HB1       ASP  44   5.886  10.608   4.769
  351    H    ASP  45           HN       ASP  45   7.783   7.958   2.416
  352    HA   ASP  45           HA       ASP  45   9.959   9.202   1.048
  353   1HB   ASP  45          HB2       ASP  45  10.404   7.114   1.926
  354   2HB   ASP  45          HB1       ASP  45   8.887   6.456   1.346
  355    HA   PRO  46           HA       PRO  46   8.001   9.903  -2.849
  356   1HB   PRO  46          HB2       PRO  46  10.281  10.327  -4.325
  357   2HB   PRO  46          HB1       PRO  46   9.599  11.524  -3.210
  358   1HG   PRO  46          HG2       PRO  46  12.011   9.807  -2.878
  359   2HG   PRO  46          HG1       PRO  46  11.637  11.370  -2.134
  360   1HD   PRO  46          HD2       PRO  46  11.413   8.836  -0.886
  361   2HD   PRO  46          HD1       PRO  46  10.760  10.362  -0.273
  362    H    ALA  47           HN       ALA  47  10.308   7.405  -2.317
  363    HA   ALA  47           HA       ALA  47   9.898   6.180  -4.977
  364   1HB   ALA  47          HB1       ALA  47  11.362   4.335  -3.869
  365   2HB   ALA  47          HB2       ALA  47  11.607   5.518  -2.585
  366   3HB   ALA  47          HB3       ALA  47  12.112   5.889  -4.233
  367    H    THR  48           HN       THR  48   8.150   6.246  -2.153
  368    HA   THR  48           HA       THR  48   7.371   3.405  -2.182
  369    HB   THR  48           HB       THR  48   5.602   4.387  -0.497
  370    HG1  THR  48           HG1      THR  48   5.907   6.537  -0.906
  371   1HG2  THR  48          HG21      THR  48   7.553   2.978   0.079
  372   2HG2  THR  48          HG22      THR  48   7.247   4.213   1.299
  373   3HG2  THR  48          HG23      THR  48   8.562   4.422   0.142
  374    H    THR  49           HN       THR  49   5.950   6.554  -3.034
  375    HA   THR  49           HA       THR  49   3.355   5.647  -3.728
  376    HB   THR  49           HB       THR  49   3.045   7.695  -4.757
  377    HG1  THR  49           HG1      THR  49   5.737   7.749  -5.610
  378   1HG2  THR  49          HG21      THR  49   5.655   8.658  -3.760
  379   2HG2  THR  49          HG22      THR  49   4.656   7.817  -2.575
  380   3HG2  THR  49          HG23      THR  49   4.029   9.239  -3.407
  381    H    ARG  50           HN       ARG  50   6.415   5.457  -5.423
  382    HA   ARG  50           HA       ARG  50   5.052   4.347  -7.816
  383   1HB   ARG  50          HB2       ARG  50   7.883   5.199  -7.241
  384   2HB   ARG  50          HB1       ARG  50   7.440   4.352  -8.722
  385   1HG   ARG  50          HG2       ARG  50   5.544   6.222  -8.806
  386   2HG   ARG  50          HG1       ARG  50   6.711   7.112  -7.827
  387   1HD   ARG  50          HD2       ARG  50   7.992   7.524  -9.630
  388   2HD   ARG  50          HD1       ARG  50   8.055   5.807 -10.028
  389    HE   ARG  50           HE       ARG  50   6.109   6.105 -11.441
  390   1HH1  ARG  50          HH11      ARG  50   4.578   8.175 -10.050
  391   2HH1  ARG  50          HH12      ARG  50   4.871   9.595 -10.996
  392   1HH2  ARG  50          HH21      ARG  50   7.647   8.278 -12.601
  393   2HH2  ARG  50          HH22      ARG  50   6.608   9.654 -12.439
  394    H    ASP  51           HN       ASP  51   7.345   3.311  -5.331
  395    HA   ASP  51           HA       ASP  51   7.639   0.688  -6.613
  396   1HB   ASP  51          HB2       ASP  51   8.720   1.795  -4.009
  397   2HB   ASP  51          HB1       ASP  51   9.154   0.222  -4.690
  398    H    ILE  52           HN       ILE  52   6.242   1.841  -3.523
  399    HA   ILE  52           HA       ILE  52   5.579  -0.701  -2.515
  400    HB   ILE  52           HB       ILE  52   4.552   2.051  -2.080
  401   1HG1  ILE  52          HG12      ILE  52   5.630  -0.210  -0.396
  402   2HG1  ILE  52          HG11      ILE  52   6.404   1.331  -0.764
  403   1HG2  ILE  52          HG21      ILE  52   2.460   0.696  -2.235
  404   2HG2  ILE  52          HG22      ILE  52   2.753   1.288  -0.600
  405   3HG2  ILE  52          HG23      ILE  52   3.105  -0.392  -1.005
  406   1HD1  ILE  52          HD11      ILE  52   5.487   2.194   1.097
  407   2HD1  ILE  52          HD12      ILE  52   4.610   0.693   1.394
  408   3HD1  ILE  52          HD13      ILE  52   3.891   1.950   0.386
  409    HA   PRO  53           HA       PRO  53   1.437  -0.547  -4.785
  410   1HB   PRO  53          HB2       PRO  53   1.226   1.268  -6.832
  411   2HB   PRO  53          HB1       PRO  53   0.656   1.547  -5.176
  412   1HG   PRO  53          HG2       PRO  53   3.063   2.639  -6.560
  413   2HG   PRO  53          HG1       PRO  53   2.135   3.332  -5.218
  414   1HD   PRO  53          HD2       PRO  53   4.609   2.011  -4.986
  415   2HD   PRO  53          HD1       PRO  53   3.494   2.355  -3.645
  416    H    GLY  54           HN       GLY  54   4.020   0.602  -6.993
  417   1HA   GLY  54          HA2       GLY  54   3.417  -1.083  -9.158
  418   2HA   GLY  54          HA1       GLY  54   5.072  -0.607  -8.734
  419    H    PHE  55           HN       PHE  55   4.657  -1.842  -5.989
  420    HA   PHE  55           HA       PHE  55   5.543  -4.525  -6.748
  421   1HB   PHE  55          HB2       PHE  55   6.664  -3.904  -4.833
  422   2HB   PHE  55          HB1       PHE  55   5.319  -2.942  -4.228
  423    HD1  PHE  55           HD1      PHE  55   5.365  -6.519  -5.341
  424    HD2  PHE  55           HD2      PHE  55   4.884  -3.776  -2.079
  425    HE1  PHE  55           HE1      PHE  55   4.626  -8.375  -3.891
  426    HE2  PHE  55           HE2      PHE  55   4.146  -5.639  -0.639
  427    HZ   PHE  55           HZ       PHE  55   4.006  -7.940  -1.543
  428    H    CYS  56           HN       CYS  56   2.729  -3.236  -4.886
  429    HA   CYS  56           HA       CYS  56   1.431  -5.710  -4.525
  430   1HB   CYS  56          HB2       CYS  56   0.421  -2.900  -4.865
  431   2HB   CYS  56          HB1       CYS  56  -0.704  -4.243  -4.655
  432    HG   CYS  56           HG       CYS  56   0.313  -4.725  -2.326
  433    H    THR  57           HN       THR  57   1.440  -3.593  -7.363
  434    HA   THR  57           HA       THR  57  -0.596  -5.030  -8.796
  435    HB   THR  57           HB       THR  57   1.745  -3.510  -9.968
  436    HG1  THR  57           HG1      THR  57   0.804  -2.022  -8.755
  437   1HG2  THR  57          HG21      THR  57  -0.646  -4.806 -11.034
  438   2HG2  THR  57          HG22      THR  57   0.776  -4.204 -11.885
  439   3HG2  THR  57          HG23      THR  57  -0.545  -3.105 -11.486
  440    H    PHE  58           HN       PHE  58   2.868  -5.498  -8.438
  441    HA   PHE  58           HA       PHE  58   3.102  -7.442 -10.568
  442   1HB   PHE  58          HB2       PHE  58   4.932  -6.002  -9.346
  443   2HB   PHE  58          HB1       PHE  58   4.989  -7.375  -8.241
  444    HD1  PHE  58           HD1      PHE  58   6.252  -6.062 -11.269
  445    HD2  PHE  58           HD2      PHE  58   5.072  -9.752  -9.413
  446    HE1  PHE  58           HE1      PHE  58   7.628  -7.324 -12.903
  447    HE2  PHE  58           HE2      PHE  58   6.447 -11.014 -11.047
  448    HZ   PHE  58           HZ       PHE  58   7.724  -9.800 -12.792
  449    H    MET  59           HN       MET  59   2.329  -7.702  -7.115
  450    HA   MET  59           HA       MET  59   2.638 -10.623  -7.238
  451   1HB   MET  59          HB2       MET  59   2.175  -8.656  -5.102
  452   2HB   MET  59          HB1       MET  59   1.564 -10.280  -4.825
  453   1HG   MET  59          HG2       MET  59   4.412  -9.571  -5.591
  454   2HG   MET  59          HG1       MET  59   3.871 -10.052  -3.982
  455   1HE   MET  59          HE1       MET  59   6.058 -12.886  -5.354
  456   2HE   MET  59          HE2       MET  59   6.098 -11.162  -4.992
  457   3HE   MET  59          HE3       MET  59   5.960 -11.700  -6.663
  458    H    GLU  60           HN       GLU  60   0.306  -8.718  -8.410
  459    HA   GLU  60           HA       GLU  60  -1.819  -9.382  -9.219
  460   1HB   GLU  60          HB2       GLU  60  -1.831 -11.679  -7.265
  461   2HB   GLU  60          HB1       GLU  60  -2.702 -11.529  -8.790
  462   1HG   GLU  60          HG2       GLU  60   0.178 -11.260  -9.166
  463   2HG   GLU  60          HG1       GLU  60  -0.245 -12.801  -8.420
  464    H    HIS  61           HN       HIS  61  -1.199  -7.727  -6.794
  465    HA   HIS  61           HA       HIS  61  -3.629  -8.123  -5.158
  466   1HB   HIS  61          HB2       HIS  61  -1.407  -6.081  -4.851
  467   2HB   HIS  61          HB1       HIS  61  -2.631  -6.505  -3.660
  468    HD1  HIS  61           HD1      HIS  61  -2.117  -9.637  -4.872
  469    HD2  HIS  61           HD2      HIS  61   0.409  -7.130  -2.706
  470    HE1  HIS  61           HE1      HIS  61  -0.374 -11.125  -3.814
  471    H    GLU  62           HN       GLU  62  -4.739  -5.845  -4.622
  472    HA   GLU  62           HA       GLU  62  -4.930  -4.389  -7.232
  473   1HB   GLU  62          HB2       GLU  62  -7.020  -5.402  -5.371
  474   2HB   GLU  62          HB1       GLU  62  -7.340  -3.908  -6.237
  475   1HG   GLU  62          HG2       GLU  62  -7.955  -5.175  -8.000
  476   2HG   GLU  62          HG1       GLU  62  -6.259  -5.629  -8.166
  477    H    LEU  63           HN       LEU  63  -4.971  -2.212  -7.159
  478    HA   LEU  63           HA       LEU  63  -4.302  -0.887  -4.600
  479   1HB   LEU  63          HB2       LEU  63  -3.003   0.031  -6.341
  480   2HB   LEU  63          HB1       LEU  63  -4.310  -0.098  -7.513
  481    HG   LEU  63           HG       LEU  63  -5.527   1.696  -6.149
  482   1HD1  LEU  63          HD11      LEU  63  -4.572   2.523  -4.282
  483   2HD1  LEU  63          HD12      LEU  63  -3.058   2.827  -5.134
  484   3HD1  LEU  63          HD13      LEU  63  -3.361   1.248  -4.409
  485   1HD2  LEU  63          HD21      LEU  63  -3.706   1.859  -8.219
  486   2HD2  LEU  63          HD22      LEU  63  -3.069   3.024  -7.058
  487   3HD2  LEU  63          HD23      LEU  63  -4.720   3.187  -7.655
  488    H    VAL  64           HN       VAL  64  -6.231  -0.785  -3.376
  489    HA   VAL  64           HA       VAL  64  -8.754  -0.474  -4.674
  490    HB   VAL  64           HB       VAL  64  -7.842  -0.333  -1.800
  491   1HG1  VAL  64          HG11      VAL  64  -9.865   0.919  -1.892
  492   2HG1  VAL  64          HG12      VAL  64 -10.328  -0.713  -1.401
  493   3HG1  VAL  64          HG13      VAL  64 -10.568  -0.190  -3.068
  494   1HG2  VAL  64          HG21      VAL  64  -8.150  -2.572  -1.804
  495   2HG2  VAL  64          HG22      VAL  64  -8.109  -2.447  -3.564
  496   3HG2  VAL  64          HG23      VAL  64  -9.654  -2.444  -2.715
  497    H    ALA  65           HN       ALA  65  -6.784   1.866  -2.698
  498    HA   ALA  65           HA       ALA  65  -8.080   3.992  -4.342
  499   1HB   ALA  65          HB1       ALA  65  -9.537   4.493  -2.696
  500   2HB   ALA  65          HB2       ALA  65  -8.148   5.112  -1.803
  501   3HB   ALA  65          HB3       ALA  65  -8.700   3.460  -1.538
  502    H    LYS  66           HN       LYS  66  -6.516   5.556  -4.881
  503    HA   LYS  66           HA       LYS  66  -3.987   5.386  -3.373
  504   1HB   LYS  66          HB2       LYS  66  -4.357   7.091  -5.779
  505   2HB   LYS  66          HB1       LYS  66  -2.931   6.197  -5.255
  506   1HG   LYS  66          HG2       LYS  66  -3.623   4.804  -6.884
  507   2HG   LYS  66          HG1       LYS  66  -4.615   4.155  -5.609
  508   1HD   LYS  66          HD2       LYS  66  -6.408   4.587  -6.903
  509   2HD   LYS  66          HD1       LYS  66  -6.083   6.302  -6.646
  510   1HE   LYS  66          HE2       LYS  66  -5.222   6.580  -8.733
  511   2HE   LYS  66          HE1       LYS  66  -4.386   5.028  -8.698
  512   1HZ   LYS  66          HZ1       LYS  66  -6.837   4.143  -8.820
  513   2HZ   LYS  66          HZ2       LYS  66  -5.989   4.582 -10.224
  514   3HZ   LYS  66          HZ3       LYS  66  -7.117   5.653  -9.540
  515    H    GLU  67           HN       GLU  67  -2.883   7.348  -2.852
  516    HA   GLU  67           HA       GLU  67  -4.597   9.738  -2.518
  517   1HB   GLU  67          HB2       GLU  67  -3.338   8.100  -0.428
  518   2HB   GLU  67          HB1       GLU  67  -3.287   9.825  -0.205
  519   1HG   GLU  67          HG2       GLU  67  -5.852   8.438  -0.938
  520   2HG   GLU  67          HG1       GLU  67  -5.332   8.543   0.745
  521    H    THR  68           HN       THR  68  -3.492  11.247  -3.666
  522    HA   THR  68           HA       THR  68  -0.575  11.579  -3.109
  523    HB   THR  68           HB       THR  68  -0.140  11.978  -5.484
  524    HG1  THR  68           HG1      THR  68  -1.766  11.801  -6.975
  525   1HG2  THR  68          HG21      THR  68  -1.260   9.429  -4.504
  526   2HG2  THR  68          HG22      THR  68   0.278   9.751  -5.306
  527   3HG2  THR  68          HG23      THR  68  -1.195   9.581  -6.260
  528    H    ASP  69           HN       ASP  69  -2.987  12.928  -2.133
  529    HA   ASP  69           HA       ASP  69  -3.185  15.462  -3.567
  530   1HB   ASP  69          HB2       ASP  69  -4.131  14.748  -0.787
  531   2HB   ASP  69          HB1       ASP  69  -4.658  16.139  -1.737
  532    H    GLY  70           HN       GLY  70  -0.739  14.285  -1.881
  533   1HA   GLY  70          HA2       GLY  70   1.081  16.041  -1.630
  534   2HA   GLY  70          HA1       GLY  70  -0.047  16.804  -0.540
  535    H    LEU  71           HN       LEU  71   2.555  15.151  -0.494
  536    HA   LEU  71           HA       LEU  71   2.541  12.874   0.945
  537   1HB   LEU  71          HB2       LEU  71   4.214  15.301   1.617
  538   2HB   LEU  71          HB1       LEU  71   4.525  13.683   2.207
  539    HG   LEU  71           HG       LEU  71   4.181  13.985  -0.703
  540   1HD1  LEU  71          HD11      LEU  71   5.644  15.851  -0.358
  541   2HD1  LEU  71          HD12      LEU  71   6.679  14.507  -0.841
  542   3HD1  LEU  71          HD13      LEU  71   6.573  14.972   0.857
  543   1HD2  LEU  71          HD21      LEU  71   5.905  12.359   1.169
  544   2HD2  LEU  71          HD22      LEU  71   6.086  12.302  -0.584
  545   3HD2  LEU  71          HD23      LEU  71   4.573  11.786   0.165
  546    HA   PRO  72           HA       PRO  72   3.352  11.865   2.411
  547   1HB   PRO  72          HB2       PRO  72   2.313   9.910   4.000
  548   2HB   PRO  72          HB1       PRO  72   3.549  11.048   4.574
  549   1HG   PRO  72          HG2       PRO  72   0.630  10.991   5.144
  550   2HG   PRO  72          HG1       PRO  72   1.949  11.585   6.172
  551   1HD   PRO  72          HD2       PRO  72   0.201  13.195   4.638
  552   2HD   PRO  72          HD1       PRO  72   1.751  13.727   5.330
  553    H    TYR  73           HN       TYR  73   2.782  10.206   0.963
  554    HA   TYR  73           HA       TYR  73   0.179  10.295  -0.253
  555   1HB   TYR  73          HB2       TYR  73   2.066   8.042  -0.644
  556   2HB   TYR  73          HB1       TYR  73   0.979   8.772  -1.812
  557    HD1  TYR  73           HD1      TYR  73   4.213   8.689  -0.418
  558    HD2  TYR  73           HD2      TYR  73   1.507  11.173  -2.592
  559    HE1  TYR  73           HE1      TYR  73   6.132  10.018  -1.231
  560    HE2  TYR  73           HE2      TYR  73   3.395  12.554  -3.395
  561    HH   TYR  73           HH       TYR  73   6.225  11.804  -3.673
  562    H    ARG  74           HN       ARG  74  -1.172   8.275  -0.565
  563    HA   ARG  74           HA       ARG  74  -0.754   6.185   1.417
  564   1HB   ARG  74          HB2       ARG  74  -3.065   8.089   1.472
  565   2HB   ARG  74          HB1       ARG  74  -3.296   6.400   1.940
  566   1HG   ARG  74          HG2       ARG  74  -1.993   6.561   3.777
  567   2HG   ARG  74          HG1       ARG  74  -0.948   7.767   3.072
  568   1HD   ARG  74          HD2       ARG  74  -2.264   8.791   4.865
  569   2HD   ARG  74          HD1       ARG  74  -2.774   9.451   3.312
  570    HE   ARG  74           HE       ARG  74  -4.471   7.282   3.753
  571   1HH1  ARG  74          HH21      ARG  74  -4.915  10.418   3.849
  572   2HH1  ARG  74          HH22      ARG  74  -5.847  10.516   5.304
  573   1HH2  ARG  74          HH11      ARG  74  -5.101   7.285   6.314
  574   2HH2  ARG  74          HH12      ARG  74  -5.953   8.743   6.700
  575    H    TYR  75           HN       TYR  75  -1.900   4.300   0.839
  576    HA   TYR  75           HA       TYR  75  -3.419   4.374  -1.656
  577   1HB   TYR  75          HB2       TYR  75  -1.215   2.413  -1.653
  578   2HB   TYR  75          HB1       TYR  75  -1.997   3.227  -3.005
  579    HD1  TYR  75           HD1      TYR  75  -1.521   5.792  -3.255
  580    HD2  TYR  75           HD2      TYR  75   0.757   3.138  -0.845
  581    HE1  TYR  75           HE1      TYR  75   0.395   7.363  -3.382
  582    HE2  TYR  75           HE2      TYR  75   2.704   4.694  -0.935
  583    HH   TYR  75           HH       TYR  75   2.504   7.726  -2.809
  584    H    LEU  76           HN       LEU  76  -5.086   2.929  -1.325
  585    HA   LEU  76           HA       LEU  76  -4.723   1.004   0.776
  586   1HB   LEU  76          HB2       LEU  76  -6.903   2.107   0.627
  587   2HB   LEU  76          HB1       LEU  76  -7.119   1.487  -0.993
  588    HG   LEU  76           HG       LEU  76  -6.727  -0.824   0.025
  589   1HD1  LEU  76          HD11      LEU  76  -6.175   0.696   2.278
  590   2HD1  LEU  76          HD12      LEU  76  -6.458  -1.044   2.245
  591   3HD1  LEU  76          HD13      LEU  76  -7.790   0.060   2.587
  592   1HD2  LEU  76          HD21      LEU  76  -8.911  -0.948  -0.275
  593   2HD2  LEU  76          HD22      LEU  76  -8.978   0.814  -0.281
  594   3HD2  LEU  76          HD23      LEU  76  -9.201  -0.072   1.227
  595    H    ILE  77           HN       ILE  77  -4.917  -1.361   0.217
  596    HA   ILE  77           HA       ILE  77  -4.928  -1.904  -2.669
  597    HB   ILE  77           HB       ILE  77  -2.800  -2.984  -0.821
  598   1HG1  ILE  77          HG12      ILE  77  -2.883  -0.535  -2.576
  599   2HG1  ILE  77          HG11      ILE  77  -2.351  -0.668  -0.903
  600   1HG2  ILE  77          HG21      ILE  77  -2.558  -2.788  -3.801
  601   2HG2  ILE  77          HG22      ILE  77  -3.596  -4.052  -3.138
  602   3HG2  ILE  77          HG23      ILE  77  -1.888  -3.996  -2.704
  603   1HD1  ILE  77          HD11      ILE  77  -0.364  -1.877  -1.561
  604   2HD1  ILE  77          HD12      ILE  77  -0.467  -0.422  -2.550
  605   3HD1  ILE  77          HD13      ILE  77  -0.925  -1.983  -3.229
  606    H    ARG  78           HN       ARG  78  -6.647  -3.279  -2.790
  607    HA   ARG  78           HA       ARG  78  -7.384  -5.021  -0.590
  608   1HB   ARG  78          HB2       ARG  78  -9.149  -4.341  -2.041
  609   2HB   ARG  78          HB1       ARG  78  -8.252  -4.822  -3.480
  610   1HG   ARG  78          HG2       ARG  78  -8.839  -7.015  -3.272
  611   2HG   ARG  78          HG1       ARG  78  -8.711  -6.984  -1.514
  612   1HD   ARG  78          HD2       ARG  78 -11.006  -7.185  -1.734
  613   2HD   ARG  78          HD1       ARG  78 -10.858  -5.428  -1.733
  614    HE   ARG  78           HE       ARG  78 -10.732  -6.687  -4.389
  615   1HH1  ARG  78          HH21      ARG  78 -13.380  -7.022  -2.718
  616   2HH1  ARG  78          HH22      ARG  78 -14.320  -5.749  -3.423
  617   1HH2  ARG  78          HH11      ARG  78 -11.607  -4.243  -4.970
  618   2HH2  ARG  78          HH12      ARG  78 -13.316  -4.176  -4.698
  619    H    LYS  79           HN       LYS  79  -6.185  -6.781  -0.042
  620    HA   LYS  79           HA       LYS  79  -4.203  -8.026  -1.679
  621   1HB   LYS  79          HB2       LYS  79  -4.079  -8.447   0.655
  622   2HB   LYS  79          HB1       LYS  79  -5.767  -8.951   0.740
  623   1HG   LYS  79          HG2       LYS  79  -4.345 -10.927   0.841
  624   2HG   LYS  79          HG1       LYS  79  -5.203 -10.917  -0.698
  625   1HD   LYS  79          HD2       LYS  79  -3.293 -10.316  -1.911
  626   2HD   LYS  79          HD1       LYS  79  -2.483  -9.652  -0.492
  627   1HE   LYS  79          HE2       LYS  79  -1.774 -11.715   0.242
  628   2HE   LYS  79          HE1       LYS  79  -3.174 -12.550  -0.430
  629   1HZ   LYS  79          HZ1       LYS  79  -0.814 -11.522  -1.901
  630   2HZ   LYS  79          HZ2       LYS  79  -2.227 -12.080  -2.666
  631   3HZ   LYS  79          HZ3       LYS  79  -1.293 -13.140  -1.722
  632    H    GLY  80           HN       GLY  80  -4.396  -9.594  -3.240
  633   1HA   GLY  80          HA2       GLY  80  -6.554 -11.459  -3.441
  634   2HA   GLY  80          HA1       GLY  80  -6.863 -10.099  -4.523
  635    H    GLY  81           HN       GLY  81  -6.609 -12.078  -6.067
  636   1HA   GLY  81          HA2       GLY  81  -4.975 -12.118  -8.009
  637   2HA   GLY  81          HA1       GLY  81  -3.719 -12.351  -6.791
  Start of MODEL    5
    1   1H    MET   1          HT1       MET   1 -16.653  11.433   3.685
    2   2H    MET   1          HT2       MET   1 -18.302  11.813   3.535
    3   3H    MET   1          HT3       MET   1 -17.123  12.991   3.207
    4    HA   MET   1           HA       MET   1 -18.282  11.745   1.262
    5   1HB   MET   1          HB2       MET   1 -15.554  12.770   1.687
    6   2HB   MET   1          HB1       MET   1 -15.698  11.669   0.316
    7   1HG   MET   1          HG2       MET   1 -17.962  13.347   0.191
    8   2HG   MET   1          HG1       MET   1 -16.597  14.407   0.541
    9   1HE   MET   1          HE1       MET   1 -14.026  13.404  -2.187
   10   2HE   MET   1          HE2       MET   1 -14.234  12.929  -0.504
   11   3HE   MET   1          HE3       MET   1 -14.427  14.618  -0.965
   12    H    THR   2           HN       THR   2 -18.346   9.776   0.194
   13    HA   THR   2           HA       THR   2 -17.604   7.405   1.596
   14    HB   THR   2           HB       THR   2 -19.369   7.310  -0.051
   15    HG1  THR   2           HG1      THR   2 -17.587   5.584   0.127
   16   1HG2  THR   2          HG21      THR   2 -19.247   8.419  -2.002
   17   2HG2  THR   2          HG22      THR   2 -17.816   7.505  -2.479
   18   3HG2  THR   2          HG23      THR   2 -17.644   8.979  -1.526
   19    H    ASP   3           HN       ASP   3 -15.480   6.971   2.031
   20    HA   ASP   3           HA       ASP   3 -13.522   7.305  -0.206
   21   1HB   ASP   3          HB2       ASP   3 -13.389   7.849   2.697
   22   2HB   ASP   3          HB1       ASP   3 -11.979   7.024   2.033
   23    H    LEU   4           HN       LEU   4 -12.404   5.498  -0.865
   24    HA   LEU   4           HA       LEU   4 -13.311   2.900   0.050
   25   1HB   LEU   4          HB2       LEU   4 -11.211   3.848  -1.892
   26   2HB   LEU   4          HB1       LEU   4 -11.323   2.145  -1.450
   27    HG   LEU   4           HG       LEU   4 -13.692   3.744  -2.442
   28   1HD1  LEU   4          HD11      LEU   4 -12.557   1.749  -4.260
   29   2HD1  LEU   4          HD12      LEU   4 -11.457   3.093  -3.952
   30   3HD1  LEU   4          HD13      LEU   4 -13.071   3.402  -4.592
   31   1HD2  LEU   4          HD21      LEU   4 -14.263   1.736  -1.180
   32   2HD2  LEU   4          HD22      LEU   4 -13.123   0.780  -2.128
   33   3HD2  LEU   4          HD23      LEU   4 -14.568   1.442  -2.892
   34    H    PHE   5           HN       PHE   5 -11.197   5.074   1.410
   35    HA   PHE   5           HA       PHE   5  -9.234   3.102   2.364
   36   1HB   PHE   5          HB2       PHE   5  -9.583   6.060   2.562
   37   2HB   PHE   5          HB1       PHE   5  -8.648   5.259   3.825
   38    HD1  PHE   5           HD1      PHE   5  -6.659   6.562   2.955
   39    HD2  PHE   5           HD2      PHE   5  -8.692   3.624   0.587
   40    HE1  PHE   5           HE1      PHE   5  -4.728   6.413   1.420
   41    HE2  PHE   5           HE2      PHE   5  -6.728   3.498  -0.915
   42    HZ   PHE   5           HZ       PHE   5  -4.749   4.943  -0.531
   43    H    SER   6           HN       SER   6 -12.273   3.222   3.068
   44    HA   SER   6           HA       SER   6 -12.755   3.849   5.731
   45   1HB   SER   6          HB2       SER   6 -13.649   1.311   4.331
   46   2HB   SER   6          HB1       SER   6 -14.403   2.027   5.753
   47    HG   SER   6           HG       SER   6 -15.429   3.321   4.466
   48    H    SER   7           HN       SER   7 -12.985   2.061   7.550
   49    HA   SER   7           HA       SER   7 -10.471   1.362   8.504
   50   1HB   SER   7          HB2       SER   7 -11.579  -0.198   9.994
   51   2HB   SER   7          HB1       SER   7 -12.627   1.199   9.779
   52    HG   SER   7           HG       SER   7 -13.994  -0.376   9.327
   53    HA   PRO   8           HA       PRO   8  -9.586  -1.732   5.329
   54   1HB   PRO   8          HB2       PRO   8  -6.869  -1.613   5.694
   55   2HB   PRO   8          HB1       PRO   8  -7.772  -0.476   4.681
   56   1HG   PRO   8          HG2       PRO   8  -6.613  -0.052   7.401
   57   2HG   PRO   8          HG1       PRO   8  -6.904   1.124   6.109
   58   1HD   PRO   8          HD2       PRO   8  -8.522   0.762   8.387
   59   2HD   PRO   8          HD1       PRO   8  -8.987   1.640   6.916
   60    H    ASP   9           HN       ASP   9  -8.149  -3.804   5.513
   61    HA   ASP   9           HA       ASP   9  -8.710  -5.028   8.141
   62   1HB   ASP   9          HB2       ASP   9  -7.642  -6.169   5.540
   63   2HB   ASP   9          HB1       ASP   9  -7.926  -7.125   6.996
   64    H    HIS  10           HN       HIS  10  -6.046  -3.732   6.345
   65    HA   HIS  10           HA       HIS  10  -4.239  -4.389   8.612
   66   1HB   HIS  10          HB2       HIS  10  -3.872  -5.125   5.718
   67   2HB   HIS  10          HB1       HIS  10  -2.471  -4.815   6.735
   68    HD1  HIS  10           HD1      HIS  10  -1.633  -6.819   7.969
   69    HD2  HIS  10           HD2      HIS  10  -5.691  -7.152   7.070
   70    HE1  HIS  10           HE1      HIS  10  -2.365  -9.100   8.793
   71    H    THR  11           HN       THR  11  -2.064  -3.087   8.212
   72    HA   THR  11           HA       THR  11  -2.554  -0.600   6.677
   73    HB   THR  11           HB       THR  11  -1.757  -0.612   9.585
   74    HG1  THR  11           HG1      THR  11  -3.872   0.428   9.759
   75   1HG2  THR  11          HG21      THR  11  -2.051   1.831   9.394
   76   2HG2  THR  11          HG22      THR  11  -2.441   1.647   7.685
   77   3HG2  THR  11          HG23      THR  11  -0.824   1.251   8.268
   78    H    LEU  12           HN       LEU  12  -0.554   0.672   6.443
   79    HA   LEU  12           HA       LEU  12   1.981  -0.688   7.163
   80   1HB   LEU  12          HB2       LEU  12   1.631  -1.676   5.011
   81   2HB   LEU  12          HB1       LEU  12   1.060  -0.153   4.338
   82    HG   LEU  12           HG       LEU  12   3.270   0.800   4.287
   83   1HD1  LEU  12          HD11      LEU  12   4.118   0.360   6.447
   84   2HD1  LEU  12          HD12      LEU  12   5.170  -0.579   5.397
   85   3HD1  LEU  12          HD13      LEU  12   3.880  -1.379   6.296
   86   1HD2  LEU  12          HD21      LEU  12   4.703  -1.237   3.432
   87   2HD2  LEU  12          HD22      LEU  12   3.293  -0.716   2.513
   88   3HD2  LEU  12          HD23      LEU  12   3.186  -2.124   3.572
   89    H    ASP  13           HN       ASP  13   3.035   1.012   8.152
   90    HA   ASP  13           HA       ASP  13   2.605   3.760   7.170
   91   1HB   ASP  13          HB2       ASP  13   2.969   3.191   9.630
   92   2HB   ASP  13          HB1       ASP  13   4.639   2.802   9.212
   93    H    ALA  14           HN       ALA  14   4.164   4.885   5.858
   94    HA   ALA  14           HA       ALA  14   6.694   3.435   5.353
   95   1HB   ALA  14          HB1       ALA  14   4.630   2.988   3.655
   96   2HB   ALA  14          HB2       ALA  14   6.330   2.890   3.197
   97   3HB   ALA  14          HB3       ALA  14   5.413   4.363   2.874
   98    H    LEU  15           HN       LEU  15   5.563   5.874   6.541
   99    HA   LEU  15           HA       LEU  15   6.724   8.111   5.097
  100   1HB   LEU  15          HB2       LEU  15   5.954   8.243   7.966
  101   2HB   LEU  15          HB1       LEU  15   5.707   9.396   6.666
  102    HG   LEU  15           HG       LEU  15   4.151   6.869   7.186
  103   1HD1  LEU  15          HD11      LEU  15   3.724   9.382   8.114
  104   2HD1  LEU  15          HD12      LEU  15   2.429   8.230   7.785
  105   3HD1  LEU  15          HD13      LEU  15   2.847   9.454   6.586
  106   1HD2  LEU  15          HD21      LEU  15   4.790   8.170   4.678
  107   2HD2  LEU  15          HD22      LEU  15   3.057   8.228   4.983
  108   3HD2  LEU  15          HD23      LEU  15   3.896   6.679   4.959
  109    H    GLY  16           HN       GLY  16   8.846   8.000   5.025
  110   1HA   GLY  16          HA2       GLY  16  11.004   8.405   6.100
  111   2HA   GLY  16          HA1       GLY  16  10.369   7.629   7.558
  112    H    LEU  17           HN       LEU  17   9.172   5.866   5.080
  113    HA   LEU  17           HA       LEU  17  11.255   3.787   5.322
  114   1HB   LEU  17          HB2       LEU  17   8.440   3.757   4.191
  115   2HB   LEU  17          HB1       LEU  17   9.527   2.373   4.171
  116    HG   LEU  17           HG       LEU  17   8.109   3.644   6.470
  117   1HD1  LEU  17          HD11      LEU  17   7.185   1.618   5.583
  118   2HD1  LEU  17          HD12      LEU  17   8.039   1.146   7.053
  119   3HD1  LEU  17          HD13      LEU  17   8.775   0.864   5.474
  120   1HD2  LEU  17          HD21      LEU  17  10.802   2.288   6.563
  121   2HD2  LEU  17          HD22      LEU  17   9.715   2.325   7.952
  122   3HD2  LEU  17          HD23      LEU  17  10.336   3.832   7.277
  123    H    ARG  18           HN       ARG  18  12.154   2.914   3.387
  124    HA   ARG  18           HA       ARG  18  11.377   4.335   0.914
  125   1HB   ARG  18          HB2       ARG  18  13.865   4.659   0.396
  126   2HB   ARG  18          HB1       ARG  18  13.099   5.740   1.559
  127   1HG   ARG  18          HG2       ARG  18  13.925   3.770   3.231
  128   2HG   ARG  18          HG1       ARG  18  15.178   3.670   1.995
  129   1HD   ARG  18          HD2       ARG  18  14.393   6.106   3.613
  130   2HD   ARG  18          HD1       ARG  18  15.933   5.249   3.653
  131    HE   ARG  18           HE       ARG  18  15.373   7.356   1.882
  132   1HH1  ARG  18          HH11      ARG  18  17.857   5.424   2.252
  133   2HH1  ARG  18          HH12      ARG  18  18.128   5.011   0.592
  134   1HH2  ARG  18          HH21      ARG  18  15.073   6.243  -0.491
  135   2HH2  ARG  18          HH22      ARG  18  16.553   5.474  -0.961
  136    H    CYS  19           HN       CYS  19  11.869   3.178  -0.956
  137    HA   CYS  19           HA       CYS  19  11.665   0.396  -0.846
  138   1HB   CYS  19          HB2       CYS  19  11.346   1.447  -2.945
  139   2HB   CYS  19          HB1       CYS  19  12.957   2.160  -2.928
  140    HG   CYS  19           HG       CYS  19  13.956  -0.242  -3.289
  141    HA   PRO  20           HA       PRO  20  12.092  -1.393  -1.508
  142   1HB   PRO  20          HB2       PRO  20  12.899  -3.808  -0.518
  143   2HB   PRO  20          HB1       PRO  20  13.498  -3.153  -2.053
  144   1HG   PRO  20          HG2       PRO  20  14.902  -3.382   0.560
  145   2HG   PRO  20          HG1       PRO  20  15.583  -3.293  -1.069
  146   1HD   PRO  20          HD2       PRO  20  15.404  -1.173   0.834
  147   2HD   PRO  20          HD1       PRO  20  15.929  -1.046  -0.859
  148    H    GLU  21           HN       GLU  21  13.063  -0.469   1.528
  149    HA   GLU  21           HA       GLU  21  11.909  -2.193   3.368
  150   1HB   GLU  21          HB2       GLU  21  12.266   0.749   3.420
  151   2HB   GLU  21          HB1       GLU  21  11.555  -0.087   4.791
  152   1HG   GLU  21          HG2       GLU  21  13.714  -1.669   4.313
  153   2HG   GLU  21          HG1       GLU  21  14.349  -0.103   3.806
  154    HA   PRO  22           HA       PRO  22   7.710   0.033   3.206
  155   1HB   PRO  22          HB2       PRO  22   7.193   1.358   0.845
  156   2HB   PRO  22          HB1       PRO  22   7.820   2.142   2.295
  157   1HG   PRO  22          HG2       PRO  22   9.253   1.396  -0.209
  158   2HG   PRO  22          HG1       PRO  22   9.596   2.710   0.930
  159   1HD   PRO  22          HD2       PRO  22  10.997   0.304   0.803
  160   2HD   PRO  22          HD1       PRO  22  10.997   1.389   2.200
  161    H    VAL  23           HN       VAL  23   8.594  -0.475  -0.180
  162    HA   VAL  23           HA       VAL  23   6.460  -2.110  -0.977
  163    HB   VAL  23           HB       VAL  23   9.375  -2.558  -1.671
  164   1HG1  VAL  23          HG11      VAL  23   7.921  -2.939  -3.951
  165   2HG1  VAL  23          HG12      VAL  23   6.775  -3.495  -2.731
  166   3HG1  VAL  23          HG13      VAL  23   8.372  -4.237  -2.845
  167   1HG2  VAL  23          HG21      VAL  23   7.454  -0.392  -2.405
  168   2HG2  VAL  23          HG22      VAL  23   8.495  -1.013  -3.686
  169   3HG2  VAL  23          HG23      VAL  23   9.207  -0.325  -2.227
  170    H    MET  24           HN       MET  24   9.154  -2.775   1.165
  171    HA   MET  24           HA       MET  24   8.871  -5.674   1.094
  172   1HB   MET  24          HB2       MET  24  10.341  -3.709   2.827
  173   2HB   MET  24          HB1       MET  24  10.189  -5.388   3.346
  174   1HG   MET  24          HG2       MET  24  10.922  -5.274   0.552
  175   2HG   MET  24          HG1       MET  24  12.064  -4.339   1.518
  176   1HE   MET  24          HE1       MET  24  11.347  -7.456  -0.010
  177   2HE   MET  24          HE2       MET  24  12.658  -8.442   0.632
  178   3HE   MET  24          HE3       MET  24  13.015  -6.868  -0.073
  179    H    MET  25           HN       MET  25   7.728  -3.097   3.269
  180    HA   MET  25           HA       MET  25   6.549  -4.795   5.223
  181   1HB   MET  25          HB2       MET  25   6.146  -1.962   4.349
  182   2HB   MET  25          HB1       MET  25   4.927  -2.691   5.395
  183   1HG   MET  25          HG2       MET  25   7.806  -3.040   6.129
  184   2HG   MET  25          HG1       MET  25   7.056  -1.471   6.423
  185   1HE   MET  25          HE1       MET  25   7.702  -1.985   9.043
  186   2HE   MET  25          HE2       MET  25   8.340  -3.518   8.455
  187   3HE   MET  25          HE3       MET  25   7.244  -3.499   9.835
  188    H    VAL  26           HN       VAL  26   5.211  -3.396   2.228
  189    HA   VAL  26           HA       VAL  26   2.580  -4.488   2.553
  190    HB   VAL  26           HB       VAL  26   4.159  -3.809   0.061
  191   1HG1  VAL  26          HG11      VAL  26   2.450  -4.551  -1.235
  192   2HG1  VAL  26          HG12      VAL  26   1.241  -3.833  -0.174
  193   3HG1  VAL  26          HG13      VAL  26   1.887  -5.431   0.184
  194   1HG2  VAL  26          HG21      VAL  26   3.696  -1.752   0.973
  195   2HG2  VAL  26          HG22      VAL  26   2.353  -2.374   1.929
  196   3HG2  VAL  26          HG23      VAL  26   2.127  -2.028   0.217
  197    H    ARG  27           HN       ARG  27   5.612  -5.862   1.444
  198    HA   ARG  27           HA       ARG  27   4.503  -8.216   0.198
  199   1HB   ARG  27          HB2       ARG  27   7.197  -7.570   1.376
  200   2HB   ARG  27          HB1       ARG  27   6.813  -9.212   0.841
  201   1HG   ARG  27          HG2       ARG  27   6.308  -6.859  -0.965
  202   2HG   ARG  27          HG1       ARG  27   7.915  -7.574  -0.858
  203   1HD   ARG  27          HD2       ARG  27   5.385  -9.120  -1.491
  204   2HD   ARG  27          HD1       ARG  27   6.554  -8.573  -2.693
  205    HE   ARG  27           HE       ARG  27   8.166 -10.001  -1.065
  206   1HH1  ARG  27          HH21      ARG  27   5.241 -10.599  -2.750
  207   2HH1  ARG  27          HH22      ARG  27   5.311 -12.318  -2.554
  208   1HH2  ARG  27          HH11      ARG  27   8.173 -12.241  -0.595
  209   2HH2  ARG  27          HH12      ARG  27   6.972 -13.249  -1.332
  210    H    LYS  28           HN       LYS  28   5.969  -7.790   3.391
  211    HA   LYS  28           HA       LYS  28   5.326 -10.391   4.383
  212   1HB   LYS  28          HB2       LYS  28   5.716  -9.395   6.637
  213   2HB   LYS  28          HB1       LYS  28   6.999  -8.991   5.497
  214   1HG   LYS  28          HG2       LYS  28   6.136  -6.787   5.159
  215   2HG   LYS  28          HG1       LYS  28   4.625  -7.180   5.978
  216   1HD   LYS  28          HD2       LYS  28   7.155  -7.542   7.519
  217   2HD   LYS  28          HD1       LYS  28   6.603  -5.891   7.236
  218   1HE   LYS  28          HE2       LYS  28   4.372  -6.509   8.152
  219   2HE   LYS  28          HE1       LYS  28   4.992  -8.121   8.509
  220   1HZ   LYS  28          HZ1       LYS  28   6.795  -6.258   9.541
  221   2HZ   LYS  28          HZ2       LYS  28   5.803  -7.341  10.396
  222   3HZ   LYS  28          HZ3       LYS  28   5.244  -5.779  10.032
  223    H    THR  29           HN       THR  29   3.602  -7.378   4.297
  224    HA   THR  29           HA       THR  29   1.369  -8.171   5.967
  225    HB   THR  29           HB       THR  29   2.125  -5.972   4.120
  226    HG1  THR  29           HG1      THR  29   1.500  -4.753   5.926
  227   1HG2  THR  29          HG21      THR  29  -0.187  -6.632   3.385
  228   2HG2  THR  29          HG22      THR  29  -0.059  -4.990   4.005
  229   3HG2  THR  29          HG23      THR  29  -0.744  -6.261   5.017
  230    H    VAL  30           HN       VAL  30   2.282  -8.272   2.625
  231    HA   VAL  30           HA       VAL  30  -0.241  -9.146   1.524
  232    HB   VAL  30           HB       VAL  30   2.648  -9.128   0.649
  233   1HG1  VAL  30          HG11      VAL  30   1.884 -11.195  -0.254
  234   2HG1  VAL  30          HG12      VAL  30   1.824 -10.015  -1.564
  235   3HG1  VAL  30          HG13      VAL  30   0.342 -10.488  -0.732
  236   1HG2  VAL  30          HG21      VAL  30   0.833  -7.177   0.507
  237   2HG2  VAL  30          HG22      VAL  30   0.367  -8.043  -0.956
  238   3HG2  VAL  30          HG23      VAL  30   2.009  -7.425  -0.784
  239    H    ARG  31           HN       ARG  31   2.501 -10.586   3.064
  240    HA   ARG  31           HA       ARG  31   1.855 -13.346   2.394
  241   1HB   ARG  31          HB2       ARG  31   3.684 -12.165   4.506
  242   2HB   ARG  31          HB1       ARG  31   3.625 -13.869   4.057
  243   1HG   ARG  31          HG2       ARG  31   4.535 -13.465   1.918
  244   2HG   ARG  31          HG1       ARG  31   4.131 -11.753   1.966
  245   1HD   ARG  31          HD2       ARG  31   6.197 -11.328   2.740
  246   2HD   ARG  31          HD1       ARG  31   5.805 -12.241   4.197
  247    HE   ARG  31           HE       ARG  31   6.774 -13.722   1.806
  248   1HH1  ARG  31          HH21      ARG  31   6.368 -14.297   4.945
  249   2HH1  ARG  31          HH22      ARG  31   8.024 -14.591   5.358
  250   1HH2  ARG  31          HH11      ARG  31   9.265 -13.361   2.362
  251   2HH2  ARG  31          HH12      ARG  31   9.665 -14.062   3.894
  252    H    ASN  32           HN       ASN  32   1.177 -11.037   4.967
  253    HA   ASN  32           HA       ASN  32  -0.189 -13.192   6.514
  254   1HB   ASN  32          HB2       ASN  32  -0.285 -11.624   8.356
  255   2HB   ASN  32          HB1       ASN  32   1.356 -11.620   7.715
  256   1HD2  ASN  32          HD21      ASN  32   1.627  -9.407   8.598
  257   2HD2  ASN  32          HD22      ASN  32   0.945  -8.078   7.794
  258    H    MET  33           HN       MET  33  -0.930 -11.139   4.055
  259    HA   MET  33           HA       MET  33  -3.583 -10.322   5.042
  260   1HB   MET  33          HB2       MET  33  -1.955  -9.804   2.593
  261   2HB   MET  33          HB1       MET  33  -3.707  -9.704   2.438
  262   1HG   MET  33          HG2       MET  33  -3.445  -8.279   4.678
  263   2HG   MET  33          HG1       MET  33  -1.848  -7.979   4.007
  264   1HE   MET  33          HE1       MET  33  -5.629  -7.753   3.628
  265   2HE   MET  33          HE2       MET  33  -5.260  -8.698   2.188
  266   3HE   MET  33          HE3       MET  33  -5.889  -7.062   2.021
  267    H    GLN  34           HN       GLN  34  -5.363 -10.746   3.221
  268    HA   GLN  34           HA       GLN  34  -5.212 -13.578   2.313
  269   1HB   GLN  34          HB2       GLN  34  -7.493 -12.313   3.868
  270   2HB   GLN  34          HB1       GLN  34  -7.547 -13.912   3.123
  271   1HG   GLN  34          HG2       GLN  34  -6.530 -14.804   4.919
  272   2HG   GLN  34          HG1       GLN  34  -5.158 -13.716   4.698
  273   1HE2  GLN  34          HE21      GLN  34  -4.946 -11.972   6.163
  274   2HE2  GLN  34          HE22      GLN  34  -6.085 -11.607   7.368
  275    HA   PRO  35           HA       PRO  35  -6.916 -11.837  -1.317
  276   1HB   PRO  35          HB2       PRO  35  -8.310 -14.015  -2.293
  277   2HB   PRO  35          HB1       PRO  35  -6.551 -13.831  -2.402
  278   1HG   PRO  35          HG2       PRO  35  -8.151 -15.553  -0.550
  279   2HG   PRO  35          HG1       PRO  35  -6.520 -15.813  -1.193
  280   1HD   PRO  35          HD2       PRO  35  -7.092 -14.899   1.396
  281   2HD   PRO  35          HD1       PRO  35  -5.528 -14.710   0.573
  282    H    GLY  36           HN       GLY  36  -8.514 -10.432  -1.288
  283   1HA   GLY  36          HA2       GLY  36 -10.880  -9.864  -1.471
  284   2HA   GLY  36          HA1       GLY  36 -11.236 -11.242  -0.417
  285    H    GLU  37           HN       GLU  37  -8.484  -9.200   0.229
  286    HA   GLU  37           HA       GLU  37  -9.971  -8.032   2.559
  287   1HB   GLU  37          HB2       GLU  37  -7.325  -9.392   2.388
  288   2HB   GLU  37          HB1       GLU  37  -7.471  -8.032   3.490
  289   1HG   GLU  37          HG2       GLU  37  -8.019 -10.087   4.684
  290   2HG   GLU  37          HG1       GLU  37  -9.477  -9.109   4.507
  291    H    THR  38           HN       THR  38  -8.265  -6.188   3.491
  292    HA   THR  38           HA       THR  38  -7.337  -4.589   1.163
  293    HB   THR  38           HB       THR  38  -8.413  -2.586   2.520
  294    HG1  THR  38           HG1      THR  38  -9.775  -3.210   3.970
  295   1HG2  THR  38          HG21      THR  38 -10.643  -3.334   1.205
  296   2HG2  THR  38          HG22      THR  38  -9.494  -4.460   0.484
  297   3HG2  THR  38          HG23      THR  38  -9.211  -2.723   0.377
  298    H    LEU  39           HN       LEU  39  -5.793  -2.964   1.705
  299    HA   LEU  39           HA       LEU  39  -4.685  -3.018   4.477
  300   1HB   LEU  39          HB2       LEU  39  -3.343  -4.663   3.350
  301   2HB   LEU  39          HB1       LEU  39  -3.199  -3.657   1.911
  302    HG   LEU  39           HG       LEU  39  -2.138  -1.947   3.677
  303   1HD1  LEU  39          HD11      LEU  39  -1.994  -4.653   4.937
  304   2HD1  LEU  39          HD12      LEU  39  -2.203  -3.074   5.693
  305   3HD1  LEU  39          HD13      LEU  39  -0.616  -3.566   5.108
  306   1HD2  LEU  39          HD21      LEU  39  -0.945  -2.674   1.719
  307   2HD2  LEU  39          HD22      LEU  39  -0.793  -4.313   2.351
  308   3HD2  LEU  39          HD23      LEU  39   0.104  -2.992   3.100
  309    H    LEU  40           HN       LEU  40  -4.614  -0.853   5.037
  310    HA   LEU  40           HA       LEU  40  -4.436   1.188   2.918
  311   1HB   LEU  40          HB2       LEU  40  -5.991   1.755   4.632
  312   2HB   LEU  40          HB1       LEU  40  -4.866   1.300   5.911
  313    HG   LEU  40           HG       LEU  40  -3.355   3.167   5.122
  314   1HD1  LEU  40          HD11      LEU  40  -3.884   3.863   3.014
  315   2HD1  LEU  40          HD12      LEU  40  -5.022   4.913   3.858
  316   3HD1  LEU  40          HD13      LEU  40  -5.573   3.384   3.174
  317   1HD2  LEU  40          HD21      LEU  40  -5.866   4.573   5.745
  318   2HD2  LEU  40          HD22      LEU  40  -4.350   4.530   6.645
  319   3HD2  LEU  40          HD23      LEU  40  -5.519   3.222   6.823
  320    H    ILE  41           HN       ILE  41  -2.603   2.485   2.616
  321    HA   ILE  41           HA       ILE  41  -0.272   1.910   4.389
  322    HB   ILE  41           HB       ILE  41  -0.016   2.116   1.389
  323   1HG1  ILE  41          HG12      ILE  41  -0.818  -0.243   3.092
  324   2HG1  ILE  41          HG11      ILE  41  -1.452   0.269   1.538
  325   1HG2  ILE  41          HG21      ILE  41   1.789   1.954   3.557
  326   2HG2  ILE  41          HG22      ILE  41   2.170   1.823   1.841
  327   3HG2  ILE  41          HG23      ILE  41   1.829   0.374   2.781
  328   1HD1  ILE  41          HD11      ILE  41   1.255  -0.238   1.042
  329   2HD1  ILE  41          HD12      ILE  41  -0.110  -1.251   0.575
  330   3HD1  ILE  41          HD13      ILE  41   0.729  -1.550   2.094
  331    H    ILE  42           HN       ILE  42   1.323   3.606   4.433
  332    HA   ILE  42           HA       ILE  42   0.519   6.121   3.080
  333    HB   ILE  42           HB       ILE  42   1.917   6.218   5.724
  334   1HG1  ILE  42          HG12      ILE  42  -0.986   5.564   5.261
  335   2HG1  ILE  42          HG11      ILE  42   0.130   4.872   6.442
  336   1HG2  ILE  42          HG21      ILE  42  -0.275   8.069   4.982
  337   2HG2  ILE  42          HG22      ILE  42   1.122   8.101   3.912
  338   3HG2  ILE  42          HG23      ILE  42   1.324   8.425   5.631
  339   1HD1  ILE  42          HD11      ILE  42  -1.387   6.385   7.586
  340   2HD1  ILE  42          HD12      ILE  42  -0.993   7.679   6.452
  341   3HD1  ILE  42          HD13      ILE  42   0.233   7.086   7.575
  342    H    ALA  43           HN       ALA  43   2.478   7.520   2.859
  343    HA   ALA  43           HA       ALA  43   5.072   6.270   3.209
  344   1HB   ALA  43          HB1       ALA  43   5.347   5.278   1.208
  345   2HB   ALA  43          HB2       ALA  43   4.867   6.752   0.369
  346   3HB   ALA  43          HB3       ALA  43   3.643   5.585   0.870
  347    H    ASP  44           HN       ASP  44   6.510   7.895   3.394
  348    HA   ASP  44           HA       ASP  44   5.673  10.523   2.283
  349   1HB   ASP  44          HB2       ASP  44   6.892  11.620   3.945
  350   2HB   ASP  44          HB1       ASP  44   6.232  10.257   4.825
  351    H    ASP  45           HN       ASP  45   7.955   7.939   2.308
  352    HA   ASP  45           HA       ASP  45  10.072   9.204   0.865
  353   1HB   ASP  45          HB2       ASP  45  10.587   7.127   1.715
  354   2HB   ASP  45          HB1       ASP  45   9.052   6.448   1.219
  355    HA   PRO  46           HA       PRO  46   7.959   9.892  -2.954
  356   1HB   PRO  46          HB2       PRO  46  10.179  10.385  -4.498
  357   2HB   PRO  46          HB1       PRO  46   9.500  11.558  -3.356
  358   1HG   PRO  46          HG2       PRO  46  11.966   9.902  -3.107
  359   2HG   PRO  46          HG1       PRO  46  11.576  11.454  -2.346
  360   1HD   PRO  46          HD2       PRO  46  11.459   8.915  -1.098
  361   2HD   PRO  46          HD1       PRO  46  10.777  10.421  -0.464
  362    H    ALA  47           HN       ALA  47  10.334   7.453  -2.499
  363    HA   ALA  47           HA       ALA  47   9.889   6.231  -5.155
  364   1HB   ALA  47          HB1       ALA  47  11.572   5.366  -2.785
  365   2HB   ALA  47          HB2       ALA  47  12.151   6.132  -4.264
  366   3HB   ALA  47          HB3       ALA  47  11.494   4.497  -4.318
  367    H    THR  48           HN       THR  48   8.224   6.246  -2.279
  368    HA   THR  48           HA       THR  48   7.484   3.390  -2.328
  369    HB   THR  48           HB       THR  48   5.829   4.241  -0.512
  370    HG1  THR  48           HG1      THR  48   7.505   6.337  -0.031
  371   1HG2  THR  48          HG21      THR  48   8.434   3.351  -0.457
  372   2HG2  THR  48          HG22      THR  48   7.401   3.552   0.958
  373   3HG2  THR  48          HG23      THR  48   8.519   4.833   0.492
  374    H    THR  49           HN       THR  49   6.029   6.538  -3.090
  375    HA   THR  49           HA       THR  49   3.401   5.626  -3.681
  376    HB   THR  49           HB       THR  49   3.045   7.692  -4.660
  377    HG1  THR  49           HG1      THR  49   4.204   8.341  -6.296
  378   1HG2  THR  49          HG21      THR  49   4.652   7.817  -2.525
  379   2HG2  THR  49          HG22      THR  49   4.140   9.262  -3.396
  380   3HG2  THR  49          HG23      THR  49   5.727   8.560  -3.708
  381    H    ARG  50           HN       ARG  50   6.400   5.482  -5.472
  382    HA   ARG  50           HA       ARG  50   4.969   4.396  -7.838
  383   1HB   ARG  50          HB2       ARG  50   7.806   5.266  -7.336
  384   2HB   ARG  50          HB1       ARG  50   7.341   4.410  -8.806
  385   1HG   ARG  50          HG2       ARG  50   5.441   6.506  -8.313
  386   2HG   ARG  50          HG1       ARG  50   7.067   7.185  -8.257
  387   1HD   ARG  50          HD2       ARG  50   7.517   6.657 -10.462
  388   2HD   ARG  50          HD1       ARG  50   6.424   5.274 -10.463
  389    HE   ARG  50           HE       ARG  50   4.864   7.635 -10.149
  390   1HH1  ARG  50          HH21      ARG  50   4.186   5.619 -12.183
  391   2HH1  ARG  50          HH22      ARG  50   4.554   6.423 -13.673
  392   1HH2  ARG  50          HH11      ARG  50   6.509   8.866 -12.175
  393   2HH2  ARG  50          HH12      ARG  50   5.869   8.263 -13.668
  394    H    ASP  51           HN       ASP  51   7.349   3.330  -5.442
  395    HA   ASP  51           HA       ASP  51   7.614   0.729  -6.768
  396   1HB   ASP  51          HB2       ASP  51   8.724   1.704  -4.123
  397   2HB   ASP  51          HB1       ASP  51   9.207   0.228  -4.965
  398    H    ILE  52           HN       ILE  52   6.272   1.817  -3.626
  399    HA   ILE  52           HA       ILE  52   5.635  -0.743  -2.657
  400    HB   ILE  52           HB       ILE  52   4.593   1.990  -2.147
  401   1HG1  ILE  52          HG12      ILE  52   5.753  -0.302  -0.566
  402   2HG1  ILE  52          HG11      ILE  52   6.446   1.294  -0.849
  403   1HG2  ILE  52          HG21      ILE  52   2.508   0.625  -2.317
  404   2HG2  ILE  52          HG22      ILE  52   2.808   1.181  -0.670
  405   3HG2  ILE  52          HG23      ILE  52   3.168  -0.487  -1.117
  406   1HD1  ILE  52          HD11      ILE  52   5.486   1.008   1.458
  407   2HD1  ILE  52          HD12      ILE  52   3.898   0.814   0.720
  408   3HD1  ILE  52          HD13      ILE  52   4.766   2.339   0.552
  409    HA   PRO  53           HA       PRO  53   1.468  -0.582  -4.879
  410   1HB   PRO  53          HB2       PRO  53   1.259   1.189  -6.966
  411   2HB   PRO  53          HB1       PRO  53   0.703   1.509  -5.314
  412   1HG   PRO  53          HG2       PRO  53   3.104   2.556  -6.734
  413   2HG   PRO  53          HG1       PRO  53   2.194   3.276  -5.395
  414   1HD   PRO  53          HD2       PRO  53   4.662   1.934  -5.173
  415   2HD   PRO  53          HD1       PRO  53   3.575   2.328  -3.824
  416    H    GLY  54           HN       GLY  54   4.027   0.498  -7.149
  417   1HA   GLY  54          HA2       GLY  54   3.406  -1.244  -9.259
  418   2HA   GLY  54          HA1       GLY  54   5.066  -0.766  -8.860
  419    H    PHE  55           HN       PHE  55   4.679  -1.922  -6.085
  420    HA   PHE  55           HA       PHE  55   5.552  -4.623  -6.767
  421   1HB   PHE  55          HB2       PHE  55   6.663  -3.958  -4.864
  422   2HB   PHE  55          HB1       PHE  55   5.318  -2.975  -4.290
  423    HD1  PHE  55           HD1      PHE  55   5.403  -6.583  -5.301
  424    HD2  PHE  55           HD2      PHE  55   4.828  -3.749  -2.134
  425    HE1  PHE  55           HE1      PHE  55   4.654  -8.405  -3.812
  426    HE2  PHE  55           HE2      PHE  55   4.080  -5.578  -0.650
  427    HZ   PHE  55           HZ       PHE  55   3.979  -7.903  -1.490
  428    H    CYS  56           HN       CYS  56   2.718  -3.288  -4.962
  429    HA   CYS  56           HA       CYS  56   1.433  -5.762  -4.549
  430   1HB   CYS  56          HB2       CYS  56   0.419  -2.961  -4.934
  431   2HB   CYS  56          HB1       CYS  56  -0.716  -4.300  -4.753
  432    HG   CYS  56           HG       CYS  56   1.099  -3.188  -2.535
  433    H    THR  57           HN       THR  57   1.386  -3.672  -7.417
  434    HA   THR  57           HA       THR  57  -0.601  -5.140  -8.854
  435    HB   THR  57           HB       THR  57   1.788  -3.694 -10.027
  436    HG1  THR  57           HG1      THR  57  -0.782  -2.708  -9.341
  437   1HG2  THR  57          HG21      THR  57  -0.777  -3.513 -11.394
  438   2HG2  THR  57          HG22      THR  57  -0.244  -5.186 -11.222
  439   3HG2  THR  57          HG23      THR  57   0.793  -4.007 -12.025
  440    H    PHE  58           HN       PHE  58   2.860  -5.645  -8.441
  441    HA   PHE  58           HA       PHE  58   3.130  -7.646 -10.493
  442   1HB   PHE  58          HB2       PHE  58   4.963  -6.274  -9.285
  443   2HB   PHE  58          HB1       PHE  58   4.857  -7.509  -8.031
  444    HD1  PHE  58           HD1      PHE  58   6.393  -6.627 -11.089
  445    HD2  PHE  58           HD2      PHE  58   4.900 -10.009  -8.904
  446    HE1  PHE  58           HE1      PHE  58   7.809  -8.136 -12.458
  447    HE2  PHE  58           HE2      PHE  58   6.314 -11.519 -10.272
  448    HZ   PHE  58           HZ       PHE  58   7.768 -10.583 -12.050
  449    H    MET  59           HN       MET  59   2.378  -7.856  -7.008
  450    HA   MET  59           HA       MET  59   2.491 -10.775  -7.113
  451   1HB   MET  59          HB2       MET  59   1.917  -8.784  -4.997
  452   2HB   MET  59          HB1       MET  59   1.471 -10.462  -4.737
  453   1HG   MET  59          HG2       MET  59   4.239  -9.459  -5.459
  454   2HG   MET  59          HG1       MET  59   3.731 -10.013  -3.864
  455   1HE   MET  59          HE1       MET  59   6.291 -11.321  -5.441
  456   2HE   MET  59          HE2       MET  59   5.456 -10.643  -6.837
  457   3HE   MET  59          HE3       MET  59   5.831 -12.365  -6.794
  458    H    GLU  60           HN       GLU  60   0.282  -8.803  -8.391
  459    HA   GLU  60           HA       GLU  60  -1.857  -9.372  -9.232
  460   1HB   GLU  60          HB2       GLU  60  -2.004 -11.659  -7.276
  461   2HB   GLU  60          HB1       GLU  60  -2.808 -11.490  -8.836
  462   1HG   GLU  60          HG2       GLU  60  -0.146 -11.273  -9.524
  463   2HG   GLU  60          HG1       GLU  60  -0.104 -12.465  -8.224
  464    H    HIS  61           HN       HIS  61  -1.237  -7.747  -6.771
  465    HA   HIS  61           HA       HIS  61  -3.726  -8.069  -5.211
  466   1HB   HIS  61          HB2       HIS  61  -1.477  -6.078  -4.807
  467   2HB   HIS  61          HB1       HIS  61  -2.715  -6.549  -3.648
  468    HD1  HIS  61           HD1      HIS  61  -2.306  -9.655  -4.796
  469    HD2  HIS  61           HD2      HIS  61   0.439  -7.187  -2.863
  470    HE1  HIS  61           HE1      HIS  61  -0.541 -11.176  -3.823
  471    H    GLU  62           HN       GLU  62  -4.776  -5.777  -4.682
  472    HA   GLU  62           HA       GLU  62  -4.847  -4.259  -7.261
  473   1HB   GLU  62          HB2       GLU  62  -7.009  -5.296  -5.513
  474   2HB   GLU  62          HB1       GLU  62  -7.276  -3.743  -6.283
  475   1HG   GLU  62          HG2       GLU  62  -7.368  -4.654  -8.390
  476   2HG   GLU  62          HG1       GLU  62  -6.182  -5.903  -8.012
  477    H    LEU  63           HN       LEU  63  -4.856  -2.079  -7.136
  478    HA   LEU  63           HA       LEU  63  -4.239  -0.829  -4.529
  479   1HB   LEU  63          HB2       LEU  63  -2.898   0.161  -6.181
  480   2HB   LEU  63          HB1       LEU  63  -4.140   0.010  -7.419
  481    HG   LEU  63           HG       LEU  63  -5.459   1.784  -6.144
  482   1HD1  LEU  63          HD11      LEU  63  -3.227   3.057  -4.921
  483   2HD1  LEU  63          HD12      LEU  63  -3.278   1.400  -4.318
  484   3HD1  LEU  63          HD13      LEU  63  -4.686   2.447  -4.139
  485   1HD2  LEU  63          HD21      LEU  63  -3.452   1.988  -8.049
  486   2HD2  LEU  63          HD22      LEU  63  -2.982   3.180  -6.839
  487   3HD2  LEU  63          HD23      LEU  63  -4.571   3.273  -7.597
  488    H    VAL  64           HN       VAL  64  -6.189  -0.772  -3.348
  489    HA   VAL  64           HA       VAL  64  -8.693  -0.432  -4.658
  490    HB   VAL  64           HB       VAL  64  -7.806  -0.318  -1.775
  491   1HG1  VAL  64          HG11      VAL  64  -9.828   0.934  -1.882
  492   2HG1  VAL  64          HG12      VAL  64 -10.288  -0.699  -1.393
  493   3HG1  VAL  64          HG13      VAL  64 -10.524  -0.175  -3.060
  494   1HG2  VAL  64          HG21      VAL  64  -8.111  -2.558  -1.807
  495   2HG2  VAL  64          HG22      VAL  64  -8.059  -2.416  -3.565
  496   3HG2  VAL  64          HG23      VAL  64  -9.609  -2.422  -2.725
  497    H    ALA  65           HN       ALA  65  -6.724   1.893  -2.674
  498    HA   ALA  65           HA       ALA  65  -8.036   4.030  -4.283
  499   1HB   ALA  65          HB1       ALA  65  -8.183   5.186  -1.809
  500   2HB   ALA  65          HB2       ALA  65  -8.575   3.508  -1.430
  501   3HB   ALA  65          HB3       ALA  65  -9.536   4.392  -2.617
  502    H    LYS  66           HN       LYS  66  -6.496   5.617  -4.795
  503    HA   LYS  66           HA       LYS  66  -3.955   5.444  -3.312
  504   1HB   LYS  66          HB2       LYS  66  -4.371   7.199  -5.674
  505   2HB   LYS  66          HB1       LYS  66  -2.928   6.316  -5.183
  506   1HG   LYS  66          HG2       LYS  66  -3.615   4.946  -6.837
  507   2HG   LYS  66          HG1       LYS  66  -4.584   4.254  -5.566
  508   1HD   LYS  66          HD2       LYS  66  -6.402   4.694  -6.822
  509   2HD   LYS  66          HD1       LYS  66  -6.089   6.408  -6.548
  510   1HE   LYS  66          HE2       LYS  66  -5.692   6.634  -8.751
  511   2HE   LYS  66          HE1       LYS  66  -4.276   5.600  -8.557
  512   1HZ   LYS  66          HZ1       LYS  66  -6.923   4.353  -8.764
  513   2HZ   LYS  66          HZ2       LYS  66  -5.406   3.756  -9.244
  514   3HZ   LYS  66          HZ3       LYS  66  -6.190   4.940 -10.177
  515    H    GLU  67           HN       GLU  67  -2.864   7.408  -2.774
  516    HA   GLU  67           HA       GLU  67  -4.598   9.763  -2.320
  517   1HB   GLU  67          HB2       GLU  67  -3.254   8.079  -0.324
  518   2HB   GLU  67          HB1       GLU  67  -3.217   9.798  -0.046
  519   1HG   GLU  67          HG2       GLU  67  -5.754   8.280  -0.667
  520   2HG   GLU  67          HG1       GLU  67  -5.202   8.589   0.980
  521    H    THR  68           HN       THR  68  -3.554  11.336  -3.436
  522    HA   THR  68           HA       THR  68  -0.623  11.692  -2.964
  523    HB   THR  68           HB       THR  68  -0.283  12.199  -5.335
  524    HG1  THR  68           HG1      THR  68  -1.980  12.021  -6.773
  525   1HG2  THR  68          HG21      THR  68  -0.351   9.767  -4.398
  526   2HG2  THR  68          HG22      THR  68  -0.331   9.998  -6.147
  527   3HG2  THR  68          HG23      THR  68  -1.845   9.627  -5.324
  528    H    ASP  69           HN       ASP  69  -3.043  12.953  -1.859
  529    HA   ASP  69           HA       ASP  69  -3.306  15.552  -3.159
  530   1HB   ASP  69          HB2       ASP  69  -4.194  14.662  -0.409
  531   2HB   ASP  69          HB1       ASP  69  -4.739  16.115  -1.250
  532    H    GLY  70           HN       GLY  70  -0.819  14.317  -1.566
  533   1HA   GLY  70          HA2       GLY  70   0.988  16.085  -1.265
  534   2HA   GLY  70          HA1       GLY  70  -0.130  16.779  -0.121
  535    H    LEU  71           HN       LEU  71   2.491  15.144  -0.216
  536    HA   LEU  71           HA       LEU  71   2.532  12.807   1.121
  537   1HB   LEU  71          HB2       LEU  71   4.197  15.217   1.868
  538   2HB   LEU  71          HB1       LEU  71   4.537  13.576   2.374
  539    HG   LEU  71           HG       LEU  71   4.123  14.013  -0.510
  540   1HD1  LEU  71          HD11      LEU  71   6.585  14.592  -0.709
  541   2HD1  LEU  71          HD12      LEU  71   6.569  14.911   1.027
  542   3HD1  LEU  71          HD13      LEU  71   5.576  15.883  -0.058
  543   1HD2  LEU  71          HD21      LEU  71   4.558  11.778   0.216
  544   2HD2  LEU  71          HD22      LEU  71   5.880  12.307   1.255
  545   3HD2  LEU  71          HD23      LEU  71   6.065  12.351  -0.498
  546    HA   PRO  72           HA       PRO  72   3.403  11.746   2.531
  547   1HB   PRO  72          HB2       PRO  72   2.417   9.700   4.039
  548   2HB   PRO  72          HB1       PRO  72   3.652  10.821   4.646
  549   1HG   PRO  72          HG2       PRO  72   0.744  10.704   5.264
  550   2HG   PRO  72          HG1       PRO  72   2.075  11.258   6.299
  551   1HD   PRO  72          HD2       PRO  72   0.287  12.929   4.887
  552   2HD   PRO  72          HD1       PRO  72   1.851  13.438   5.565
  553    H    TYR  73           HN       TYR  73   2.834  10.179   1.004
  554    HA   TYR  73           HA       TYR  73   0.232  10.278  -0.187
  555   1HB   TYR  73          HB2       TYR  73   2.145   8.056  -0.645
  556   2HB   TYR  73          HB1       TYR  73   1.039   8.796  -1.794
  557    HD1  TYR  73           HD1      TYR  73   4.297   8.723  -0.440
  558    HD2  TYR  73           HD2      TYR  73   1.515  11.239  -2.485
  559    HE1  TYR  73           HE1      TYR  73   6.186  10.091  -1.270
  560    HE2  TYR  73           HE2      TYR  73   3.366  12.668  -3.282
  561    HH   TYR  73           HH       TYR  73   6.720  11.708  -2.883
  562    H    ARG  74           HN       ARG  74  -1.126   8.260  -0.539
  563    HA   ARG  74           HA       ARG  74  -0.662   6.121   1.378
  564   1HB   ARG  74          HB2       ARG  74  -2.910   8.058   1.600
  565   2HB   ARG  74          HB1       ARG  74  -3.226   6.353   1.934
  566   1HG   ARG  74          HG2       ARG  74  -1.708   6.253   3.674
  567   2HG   ARG  74          HG1       ARG  74  -0.851   7.677   3.144
  568   1HD   ARG  74          HD2       ARG  74  -3.247   7.455   4.855
  569   2HD   ARG  74          HD1       ARG  74  -2.022   8.720   4.805
  570    HE   ARG  74           HE       ARG  74  -4.460   8.608   3.116
  571   1HH1  ARG  74          HH11      ARG  74  -1.299   9.847   3.243
  572   2HH1  ARG  74          HH12      ARG  74  -1.754  11.475   2.867
  573   1HH2  ARG  74          HH21      ARG  74  -5.159  10.830   2.978
  574   2HH2  ARG  74          HH22      ARG  74  -3.939  12.032   2.716
  575    H    TYR  75           HN       TYR  75  -1.854   4.260   0.830
  576    HA   TYR  75           HA       TYR  75  -3.413   4.356  -1.638
  577   1HB   TYR  75          HB2       TYR  75  -1.219   2.379  -1.642
  578   2HB   TYR  75          HB1       TYR  75  -2.004   3.189  -2.998
  579    HD1  TYR  75           HD1      TYR  75  -1.509   5.741  -3.280
  580    HD2  TYR  75           HD2      TYR  75   0.750   3.114  -0.821
  581    HE1  TYR  75           HE1      TYR  75   0.404   7.314  -3.403
  582    HE2  TYR  75           HE2      TYR  75   2.695   4.674  -0.910
  583    HH   TYR  75           HH       TYR  75   3.459   6.600  -1.696
  584    H    LEU  76           HN       LEU  76  -5.085   2.894  -1.318
  585    HA   LEU  76           HA       LEU  76  -4.727   0.995   0.813
  586   1HB   LEU  76          HB2       LEU  76  -6.916   2.105   0.610
  587   2HB   LEU  76          HB1       LEU  76  -7.116   1.417  -0.987
  588    HG   LEU  76           HG       LEU  76  -6.689  -0.848   0.156
  589   1HD1  LEU  76          HD11      LEU  76  -6.545  -0.954   2.400
  590   2HD1  LEU  76          HD12      LEU  76  -7.871   0.189   2.617
  591   3HD1  LEU  76          HD13      LEU  76  -6.232   0.780   2.338
  592   1HD2  LEU  76          HD21      LEU  76  -8.852  -0.993  -0.282
  593   2HD2  LEU  76          HD22      LEU  76  -8.979   0.767  -0.246
  594   3HD2  LEU  76          HD23      LEU  76  -9.215  -0.167   1.231
  595    H    ILE  77           HN       ILE  77  -4.901  -1.388   0.255
  596    HA   ILE  77           HA       ILE  77  -4.873  -1.915  -2.636
  597    HB   ILE  77           HB       ILE  77  -2.761  -2.978  -0.756
  598   1HG1  ILE  77          HG12      ILE  77  -2.858  -0.549  -2.531
  599   2HG1  ILE  77          HG11      ILE  77  -2.283  -0.679  -0.873
  600   1HG2  ILE  77          HG21      ILE  77  -1.939  -4.138  -2.552
  601   2HG2  ILE  77          HG22      ILE  77  -2.339  -2.851  -3.688
  602   3HG2  ILE  77          HG23      ILE  77  -3.586  -3.981  -3.161
  603   1HD1  ILE  77          HD11      ILE  77  -0.917  -1.976  -3.246
  604   2HD1  ILE  77          HD12      ILE  77  -0.320  -1.908  -1.588
  605   3HD1  ILE  77          HD13      ILE  77  -0.434  -0.432  -2.544
  606    H    ARG  78           HN       ARG  78  -6.622  -3.262  -2.755
  607    HA   ARG  78           HA       ARG  78  -7.311  -5.069  -0.588
  608   1HB   ARG  78          HB2       ARG  78  -9.134  -4.346  -1.911
  609   2HB   ARG  78          HB1       ARG  78  -8.286  -4.687  -3.417
  610   1HG   ARG  78          HG2       ARG  78  -8.754  -6.939  -3.334
  611   2HG   ARG  78          HG1       ARG  78  -8.757  -6.982  -1.571
  612   1HD   ARG  78          HD2       ARG  78 -10.885  -5.336  -2.061
  613   2HD   ARG  78          HD1       ARG  78 -10.973  -6.428  -3.441
  614    HE   ARG  78           HE       ARG  78 -10.595  -8.043  -1.163
  615   1HH1  ARG  78          HH21      ARG  78 -12.972  -7.577  -3.250
  616   2HH1  ARG  78          HH22      ARG  78 -14.290  -7.523  -2.129
  617   1HH2  ARG  78          HH11      ARG  78 -12.254  -7.209   0.659
  618   2HH2  ARG  78          HH12      ARG  78 -13.885  -7.314   0.083
  619    H    LYS  79           HN       LYS  79  -6.131  -6.898  -0.151
  620    HA   LYS  79           HA       LYS  79  -4.214  -8.071  -1.914
  621   1HB   LYS  79          HB2       LYS  79  -4.060  -8.664   0.400
  622   2HB   LYS  79          HB1       LYS  79  -5.742  -9.192   0.454
  623   1HG   LYS  79          HG2       LYS  79  -5.257 -11.236  -0.413
  624   2HG   LYS  79          HG1       LYS  79  -4.133 -10.567  -1.593
  625   1HD   LYS  79          HD2       LYS  79  -3.572 -11.141   1.328
  626   2HD   LYS  79          HD1       LYS  79  -2.881 -11.966  -0.065
  627   1HE   LYS  79          HE2       LYS  79  -2.355  -9.156   0.895
  628   2HE   LYS  79          HE1       LYS  79  -1.196 -10.439   0.559
  629   1HZ   LYS  79          HZ1       LYS  79  -2.311 -10.220  -1.817
  630   2HZ   LYS  79          HZ2       LYS  79  -0.979  -9.278  -1.346
  631   3HZ   LYS  79          HZ3       LYS  79  -2.547  -8.629  -1.280
  632    H    GLY  80           HN       GLY  80  -4.463  -9.628  -3.501
  633   1HA   GLY  80          HA2       GLY  80  -6.711 -11.364  -3.787
  634   2HA   GLY  80          HA1       GLY  80  -6.951  -9.947  -4.813
  635    H    GLY  81           HN       GLY  81  -6.786 -11.870  -6.439
  636   1HA   GLY  81          HA2       GLY  81  -3.955 -11.965  -7.367
  637   2HA   GLY  81          HA1       GLY  81  -4.891 -13.458  -7.287
  Start of MODEL    6
    1   1H    MET   1          HT1       MET   1 -14.697  12.376  -2.201
    2   2H    MET   1          HT2       MET   1 -15.883  13.442  -2.785
    3   3H    MET   1          HT3       MET   1 -16.052  11.768  -3.021
    4    HA   MET   1           HA       MET   1 -16.035  13.098  -0.367
    5   1HB   MET   1          HB2       MET   1 -18.130  12.750  -2.361
    6   2HB   MET   1          HB1       MET   1 -18.533  11.939  -0.847
    7   1HG   MET   1          HG2       MET   1 -19.029  13.922   0.088
    8   2HG   MET   1          HG1       MET   1 -17.380  14.474  -0.208
    9   1HE   MET   1          HE1       MET   1 -20.633  14.221  -3.249
   10   2HE   MET   1          HE2       MET   1 -21.264  15.048  -1.828
   11   3HE   MET   1          HE3       MET   1 -20.513  13.465  -1.655
   12    H    THR   2           HN       THR   2 -17.174  10.188  -2.130
   13    HA   THR   2           HA       THR   2 -17.278   8.459   0.089
   14    HB   THR   2           HB       THR   2 -16.617   6.685  -1.766
   15    HG1  THR   2           HG1      THR   2 -15.835   8.401  -3.144
   16   1HG2  THR   2          HG21      THR   2 -19.021   8.066  -1.016
   17   2HG2  THR   2          HG22      THR   2 -18.837   6.405  -1.581
   18   3HG2  THR   2          HG23      THR   2 -19.076   7.710  -2.743
   19    H    ASP   3           HN       ASP   3 -15.733   7.304   1.224
   20    HA   ASP   3           HA       ASP   3 -12.893   7.782   0.414
   21   1HB   ASP   3          HB2       ASP   3 -12.484   7.255   2.924
   22   2HB   ASP   3          HB1       ASP   3 -13.162   8.831   2.510
   23    H    LEU   4           HN       LEU   4 -12.428   5.915  -0.741
   24    HA   LEU   4           HA       LEU   4 -13.393   3.298   0.018
   25   1HB   LEU   4          HB2       LEU   4 -10.948   3.904  -1.664
   26   2HB   LEU   4          HB1       LEU   4 -11.955   2.457  -1.714
   27    HG   LEU   4           HG       LEU   4 -13.258   5.106  -2.203
   28   1HD1  LEU   4          HD11      LEU   4 -11.252   3.765  -3.964
   29   2HD1  LEU   4          HD12      LEU   4 -11.616   5.481  -3.784
   30   3HD1  LEU   4          HD13      LEU   4 -12.688   4.447  -4.727
   31   1HD2  LEU   4          HD21      LEU   4 -14.240   3.336  -4.009
   32   2HD2  LEU   4          HD22      LEU   4 -14.874   3.489  -2.370
   33   3HD2  LEU   4          HD23      LEU   4 -13.709   2.222  -2.750
   34    H    PHE   5           HN       PHE   5 -11.117   5.313   1.413
   35    HA   PHE   5           HA       PHE   5  -9.255   3.223   2.285
   36   1HB   PHE   5          HB2       PHE   5  -9.468   6.186   2.574
   37   2HB   PHE   5          HB1       PHE   5  -8.553   5.308   3.799
   38    HD1  PHE   5           HD1      PHE   5  -6.568   6.644   2.860
   39    HD2  PHE   5           HD2      PHE   5  -8.673   3.673   0.591
   40    HE1  PHE   5           HE1      PHE   5  -4.672   6.440   1.290
   41    HE2  PHE   5           HE2      PHE   5  -6.731   3.492  -0.938
   42    HZ   PHE   5           HZ       PHE   5  -4.740   4.926  -0.612
   43    H    SER   6           HN       SER   6 -12.267   3.430   3.047
   44    HA   SER   6           HA       SER   6 -12.712   4.014   5.710
   45   1HB   SER   6          HB2       SER   6 -14.550   3.143   4.504
   46   2HB   SER   6          HB1       SER   6 -13.665   1.700   4.023
   47    HG   SER   6           HG       SER   6 -15.166   2.129   6.205
   48    H    SER   7           HN       SER   7 -12.942   2.212   7.515
   49    HA   SER   7           HA       SER   7 -10.430   1.504   8.458
   50   1HB   SER   7          HB2       SER   7 -11.812  -0.517   9.531
   51   2HB   SER   7          HB1       SER   7 -12.046   1.146  10.061
   52    HG   SER   7           HG       SER   7 -13.583  -0.351   8.206
   53    HA   PRO   8           HA       PRO   8  -9.507  -1.554   5.255
   54   1HB   PRO   8          HB2       PRO   8  -6.795  -1.425   5.648
   55   2HB   PRO   8          HB1       PRO   8  -7.693  -0.288   4.630
   56   1HG   PRO   8          HG2       PRO   8  -6.563   0.128   7.363
   57   2HG   PRO   8          HG1       PRO   8  -6.845   1.310   6.074
   58   1HD   PRO   8          HD2       PRO   8  -8.485   0.936   8.334
   59   2HD   PRO   8          HD1       PRO   8  -8.944   1.810   6.858
   60    H    ASP   9           HN       ASP   9  -8.278  -3.670   5.407
   61    HA   ASP   9           HA       ASP   9  -8.788  -4.911   8.011
   62   1HB   ASP   9          HB2       ASP   9  -7.650  -5.997   5.417
   63   2HB   ASP   9          HB1       ASP   9  -7.961  -6.982   6.846
   64    H    HIS  10           HN       HIS  10  -6.071  -3.596   6.288
   65    HA   HIS  10           HA       HIS  10  -4.342  -4.219   8.619
   66   1HB   HIS  10          HB2       HIS  10  -3.873  -5.054   5.765
   67   2HB   HIS  10          HB1       HIS  10  -2.511  -4.728   6.831
   68    HD1  HIS  10           HD1      HIS  10  -1.740  -6.719   8.118
   69    HD2  HIS  10           HD2      HIS  10  -5.785  -6.989   7.152
   70    HE1  HIS  10           HE1      HIS  10  -2.539  -8.953   9.002
   71    H    THR  11           HN       THR  11  -2.120  -2.971   8.202
   72    HA   THR  11           HA       THR  11  -2.555  -0.504   6.617
   73    HB   THR  11           HB       THR  11  -1.805  -0.490   9.541
   74    HG1  THR  11           HG1      THR  11  -3.940   0.782   9.406
   75   1HG2  THR  11          HG21      THR  11  -0.777   1.394   8.589
   76   2HG2  THR  11          HG22      THR  11  -2.332   2.031   9.124
   77   3HG2  THR  11          HG23      THR  11  -2.082   1.631   7.426
   78    H    LEU  12           HN       LEU  12  -0.504   0.740   6.412
   79    HA   LEU  12           HA       LEU  12   1.964  -0.708   7.175
   80   1HB   LEU  12          HB2       LEU  12   1.622  -1.681   5.023
   81   2HB   LEU  12          HB1       LEU  12   1.121  -0.141   4.339
   82    HG   LEU  12           HG       LEU  12   3.354   0.729   4.314
   83   1HD1  LEU  12          HD11      LEU  12   5.166  -0.766   5.519
   84   2HD1  LEU  12          HD12      LEU  12   3.788  -1.354   6.450
   85   3HD1  LEU  12          HD13      LEU  12   4.195   0.360   6.464
   86   1HD2  LEU  12          HD21      LEU  12   4.758  -1.393   3.589
   87   2HD2  LEU  12          HD22      LEU  12   3.437  -0.813   2.584
   88   3HD2  LEU  12          HD23      LEU  12   3.192  -2.195   3.652
   89    H    ASP  13           HN       ASP  13   2.969   0.953   8.247
   90    HA   ASP  13           HA       ASP  13   2.695   3.726   7.361
   91   1HB   ASP  13          HB2       ASP  13   3.135   2.977   9.771
   92   2HB   ASP  13          HB1       ASP  13   4.783   2.613   9.258
   93    H    ALA  14           HN       ALA  14   4.119   4.790   5.926
   94    HA   ALA  14           HA       ALA  14   6.654   3.366   5.323
   95   1HB   ALA  14          HB1       ALA  14   6.242   2.935   3.148
   96   2HB   ALA  14          HB2       ALA  14   5.273   4.394   2.932
   97   3HB   ALA  14          HB3       ALA  14   4.560   2.960   3.673
   98    H    LEU  15           HN       LEU  15   5.498   5.782   6.597
   99    HA   LEU  15           HA       LEU  15   6.670   8.048   5.212
  100   1HB   LEU  15          HB2       LEU  15   5.926   8.067   8.099
  101   2HB   LEU  15          HB1       LEU  15   5.728   9.296   6.864
  102    HG   LEU  15           HG       LEU  15   4.107   6.764   7.101
  103   1HD1  LEU  15          HD11      LEU  15   2.286   8.661   7.216
  104   2HD1  LEU  15          HD12      LEU  15   3.643   9.636   7.785
  105   3HD1  LEU  15          HD13      LEU  15   3.169   8.183   8.665
  106   1HD2  LEU  15          HD21      LEU  15   3.071   7.316   5.089
  107   2HD2  LEU  15          HD22      LEU  15   4.734   7.783   4.753
  108   3HD2  LEU  15          HD23      LEU  15   3.544   9.006   5.192
  109    H    GLY  16           HN       GLY  16   8.795   7.885   5.103
  110   1HA   GLY  16          HA2       GLY  16  10.969   8.232   6.176
  111   2HA   GLY  16          HA1       GLY  16  10.330   7.423   7.616
  112    H    LEU  17           HN       LEU  17   9.056   5.704   5.180
  113    HA   LEU  17           HA       LEU  17  11.139   3.618   5.296
  114   1HB   LEU  17          HB2       LEU  17   8.291   3.636   4.251
  115   2HB   LEU  17          HB1       LEU  17   9.369   2.250   4.142
  116    HG   LEU  17           HG       LEU  17   8.011   3.420   6.522
  117   1HD1  LEU  17          HD11      LEU  17   7.583   1.221   5.088
  118   2HD1  LEU  17          HD12      LEU  17   7.381   1.200   6.840
  119   3HD1  LEU  17          HD13      LEU  17   8.862   0.575   6.114
  120   1HD2  LEU  17          HD21      LEU  17  10.408   3.599   7.069
  121   2HD2  LEU  17          HD22      LEU  17  10.627   1.904   6.628
  122   3HD2  LEU  17          HD23      LEU  17   9.625   2.333   8.016
  123    H    ARG  18           HN       ARG  18  12.028   2.830   3.332
  124    HA   ARG  18           HA       ARG  18  11.158   4.285   0.907
  125   1HB   ARG  18          HB2       ARG  18  13.662   4.635   0.367
  126   2HB   ARG  18          HB1       ARG  18  12.856   5.713   1.509
  127   1HG   ARG  18          HG2       ARG  18  13.727   4.388   3.396
  128   2HG   ARG  18          HG1       ARG  18  14.534   3.303   2.262
  129   1HD   ARG  18          HD2       ARG  18  15.469   5.706   1.394
  130   2HD   ARG  18          HD1       ARG  18  15.283   6.038   3.116
  131    HE   ARG  18           HE       ARG  18  16.901   3.740   2.082
  132   1HH1  ARG  18          HH21      ARG  18  17.869   6.625   2.936
  133   2HH1  ARG  18          HH22      ARG  18  18.574   6.236   4.470
  134   1HH2  ARG  18          HH11      ARG  18  17.117   3.094   4.641
  135   2HH2  ARG  18          HH12      ARG  18  18.147   4.236   5.435
  136    H    CYS  19           HN       CYS  19  11.593   3.157  -0.990
  137    HA   CYS  19           HA       CYS  19  11.466   0.371  -0.918
  138   1HB   CYS  19          HB2       CYS  19  11.043   1.454  -2.982
  139   2HB   CYS  19          HB1       CYS  19  12.641   2.193  -3.019
  140    HG   CYS  19           HG       CYS  19  13.094   0.178  -4.456
  141    HA   PRO  20           HA       PRO  20  11.905  -1.398  -1.627
  142   1HB   PRO  20          HB2       PRO  20  12.794  -3.808  -0.705
  143   2HB   PRO  20          HB1       PRO  20  13.328  -3.118  -2.249
  144   1HG   PRO  20          HG2       PRO  20  14.823  -3.354   0.313
  145   2HG   PRO  20          HG1       PRO  20  15.446  -3.235  -1.337
  146   1HD   PRO  20          HD2       PRO  20  15.299  -1.140   0.594
  147   2HD   PRO  20          HD1       PRO  20  15.754  -0.984  -1.116
  148    H    GLU  21           HN       GLU  21  12.967  -0.497   1.391
  149    HA   GLU  21           HA       GLU  21  11.902  -2.283   3.231
  150   1HB   GLU  21          HB2       GLU  21  12.216   0.662   3.346
  151   2HB   GLU  21          HB1       GLU  21  11.560  -0.220   4.715
  152   1HG   GLU  21          HG2       GLU  21  13.552  -1.533   4.936
  153   2HG   GLU  21          HG1       GLU  21  14.176  -0.966   3.386
  154    HA   PRO  22           HA       PRO  22   7.672  -0.116   3.250
  155   1HB   PRO  22          HB2       PRO  22   7.060   1.238   0.934
  156   2HB   PRO  22          HB1       PRO  22   7.721   2.007   2.373
  157   1HG   PRO  22          HG2       PRO  22   9.084   1.322  -0.188
  158   2HG   PRO  22          HG1       PRO  22   9.439   2.629   0.956
  159   1HD   PRO  22          HD2       PRO  22  10.883   0.255   0.759
  160   2HD   PRO  22          HD1       PRO  22  10.896   1.315   2.174
  161    H    VAL  23           HN       VAL  23   8.432  -0.556  -0.185
  162    HA   VAL  23           HA       VAL  23   6.304  -2.216  -0.933
  163    HB   VAL  23           HB       VAL  23   9.230  -2.320  -1.700
  164   1HG1  VAL  23          HG11      VAL  23   8.213  -3.568  -3.758
  165   2HG1  VAL  23          HG12      VAL  23   6.871  -3.926  -2.670
  166   3HG1  VAL  23          HG13      VAL  23   8.498  -4.479  -2.275
  167   1HG2  VAL  23          HG21      VAL  23   7.587  -0.332  -2.240
  168   2HG2  VAL  23          HG22      VAL  23   6.952  -1.440  -3.455
  169   3HG2  VAL  23          HG23      VAL  23   8.644  -0.952  -3.507
  170    H    MET  24           HN       MET  24   9.088  -2.876   1.100
  171    HA   MET  24           HA       MET  24   8.823  -5.775   1.019
  172   1HB   MET  24          HB2       MET  24  10.341  -3.809   2.709
  173   2HB   MET  24          HB1       MET  24  10.221  -5.489   3.228
  174   1HG   MET  24          HG2       MET  24  10.911  -5.093   0.376
  175   2HG   MET  24          HG1       MET  24  12.142  -4.576   1.530
  176   1HE   MET  24          HE1       MET  24  13.612  -7.926   0.502
  177   2HE   MET  24          HE2       MET  24  13.674  -6.166   0.440
  178   3HE   MET  24          HE3       MET  24  12.556  -7.039  -0.605
  179    H    MET  25           HN       MET  25   7.746  -3.233   3.268
  180    HA   MET  25           HA       MET  25   6.633  -4.969   5.229
  181   1HB   MET  25          HB2       MET  25   6.226  -2.115   4.431
  182   2HB   MET  25          HB1       MET  25   5.034  -2.854   5.501
  183   1HG   MET  25          HG2       MET  25   8.027  -2.833   5.995
  184   2HG   MET  25          HG1       MET  25   6.870  -1.749   6.769
  185   1HE   MET  25          HE1       MET  25   8.123  -2.869   9.106
  186   2HE   MET  25          HE2       MET  25   9.022  -3.760   7.881
  187   3HE   MET  25          HE3       MET  25   8.282  -4.627   9.224
  188    H    VAL  26           HN       VAL  26   5.211  -3.518   2.295
  189    HA   VAL  26           HA       VAL  26   2.582  -4.604   2.699
  190    HB   VAL  26           HB       VAL  26   4.062  -3.933   0.142
  191   1HG1  VAL  26          HG11      VAL  26   1.172  -3.856  -0.036
  192   2HG1  VAL  26          HG12      VAL  26   1.700  -5.458   0.471
  193   3HG1  VAL  26          HG13      VAL  26   2.311  -4.763  -1.027
  194   1HG2  VAL  26          HG21      VAL  26   3.693  -1.876   1.104
  195   2HG2  VAL  26          HG22      VAL  26   2.332  -2.455   2.063
  196   3HG2  VAL  26          HG23      VAL  26   2.116  -2.103   0.350
  197    H    ARG  27           HN       ARG  27   5.567  -5.959   1.476
  198    HA   ARG  27           HA       ARG  27   4.409  -8.291   0.233
  199   1HB   ARG  27          HB2       ARG  27   7.050  -7.280   0.725
  200   2HB   ARG  27          HB1       ARG  27   6.963  -8.958   1.281
  201   1HG   ARG  27          HG2       ARG  27   5.574  -8.792  -1.203
  202   2HG   ARG  27          HG1       ARG  27   7.141  -8.009  -1.408
  203   1HD   ARG  27          HD2       ARG  27   7.305 -10.470   0.157
  204   2HD   ARG  27          HD1       ARG  27   6.675 -10.741  -1.467
  205    HE   ARG  27           HE       ARG  27   9.383 -10.365  -0.953
  206   1HH1  ARG  27          HH11      ARG  27   7.191  -9.935  -3.414
  207   2HH1  ARG  27          HH12      ARG  27   8.138  -8.799  -4.317
  208   1HH2  ARG  27          HH21      ARG  27  10.507  -8.382  -1.820
  209   2HH2  ARG  27          HH22      ARG  27  10.013  -7.920  -3.414
  210    H    LYS  28           HN       LYS  28   6.100  -7.944   3.333
  211    HA   LYS  28           HA       LYS  28   5.500 -10.526   4.349
  212   1HB   LYS  28          HB2       LYS  28   5.832  -7.946   5.920
  213   2HB   LYS  28          HB1       LYS  28   5.970  -9.577   6.576
  214   1HG   LYS  28          HG2       LYS  28   7.754  -9.871   4.652
  215   2HG   LYS  28          HG1       LYS  28   7.833  -8.111   4.740
  216   1HD   LYS  28          HD2       LYS  28   7.900  -8.797   7.395
  217   2HD   LYS  28          HD1       LYS  28   8.789 -10.131   6.661
  218   1HE   LYS  28          HE2       LYS  28  10.371  -8.370   7.185
  219   2HE   LYS  28          HE1       LYS  28  10.185  -8.440   5.433
  220   1HZ   LYS  28          HZ1       LYS  28   8.265  -6.718   6.662
  221   2HZ   LYS  28          HZ2       LYS  28   9.344  -6.400   5.389
  222   3HZ   LYS  28          HZ3       LYS  28   9.855  -6.232   7.000
  223    H    THR  29           HN       THR  29   3.717  -7.534   4.344
  224    HA   THR  29           HA       THR  29   1.521  -8.385   6.029
  225    HB   THR  29           HB       THR  29   2.206  -6.164   4.178
  226    HG1  THR  29           HG1      THR  29   2.493  -5.400   6.090
  227   1HG2  THR  29          HG21      THR  29  -0.010  -5.212   4.133
  228   2HG2  THR  29          HG22      THR  29  -0.645  -6.535   5.111
  229   3HG2  THR  29          HG23      THR  29  -0.095  -6.840   3.463
  230    H    VAL  30           HN       VAL  30   2.390  -8.470   2.678
  231    HA   VAL  30           HA       VAL  30  -0.146  -9.381   1.627
  232    HB   VAL  30           HB       VAL  30   2.717  -9.283   0.682
  233   1HG1  VAL  30          HG11      VAL  30   1.873 -11.396  -0.157
  234   2HG1  VAL  30          HG12      VAL  30   1.998 -10.230  -1.476
  235   3HG1  VAL  30          HG13      VAL  30   0.424 -10.596  -0.768
  236   1HG2  VAL  30          HG21      VAL  30   0.866  -7.374   0.602
  237   2HG2  VAL  30          HG22      VAL  30   0.372  -8.241  -0.850
  238   3HG2  VAL  30          HG23      VAL  30   2.005  -7.590  -0.727
  239    H    ARG  31           HN       ARG  31   2.632 -10.760   3.150
  240    HA   ARG  31           HA       ARG  31   2.065 -13.532   2.459
  241   1HB   ARG  31          HB2       ARG  31   3.832 -12.355   4.631
  242   2HB   ARG  31          HB1       ARG  31   3.826 -14.042   4.119
  243   1HG   ARG  31          HG2       ARG  31   4.395 -13.200   1.774
  244   2HG   ARG  31          HG1       ARG  31   4.680 -11.628   2.508
  245   1HD   ARG  31          HD2       ARG  31   6.669 -13.344   2.217
  246   2HD   ARG  31          HD1       ARG  31   6.557 -12.336   3.660
  247    HE   ARG  31           HE       ARG  31   5.536 -14.319   4.810
  248   1HH1  ARG  31          HH21      ARG  31   4.906 -16.078   2.548
  249   2HH1  ARG  31          HH22      ARG  31   6.262 -17.154   2.493
  250   1HH2  ARG  31          HH11      ARG  31   8.290 -15.130   4.443
  251   2HH2  ARG  31          HH12      ARG  31   8.177 -16.618   3.565
  252    H    ASN  32           HN       ASN  32   1.329 -11.245   5.034
  253    HA   ASN  32           HA       ASN  32  -0.061 -13.419   6.536
  254   1HB   ASN  32          HB2       ASN  32  -0.165 -11.864   8.403
  255   2HB   ASN  32          HB1       ASN  32   1.488 -11.913   7.797
  256   1HD2  ASN  32          HD21      ASN  32   1.878  -9.721   8.645
  257   2HD2  ASN  32          HD22      ASN  32   1.230  -8.361   7.865
  258    H    MET  33           HN       MET  33  -0.783 -11.446   4.065
  259    HA   MET  33           HA       MET  33  -3.437 -10.605   5.082
  260   1HB   MET  33          HB2       MET  33  -1.743  -9.876   2.739
  261   2HB   MET  33          HB1       MET  33  -3.490  -9.780   2.532
  262   1HG   MET  33          HG2       MET  33  -3.309  -8.569   4.907
  263   2HG   MET  33          HG1       MET  33  -1.705  -8.183   4.306
  264   1HE   MET  33          HE1       MET  33  -5.527  -7.912   3.820
  265   2HE   MET  33          HE2       MET  33  -5.045  -8.805   2.380
  266   3HE   MET  33          HE3       MET  33  -5.686  -7.172   2.220
  267    H    GLN  34           HN       GLN  34  -5.252 -10.933   3.402
  268    HA   GLN  34           HA       GLN  34  -5.067 -13.641   2.162
  269   1HB   GLN  34          HB2       GLN  34  -7.382 -12.555   3.802
  270   2HB   GLN  34          HB1       GLN  34  -7.362 -14.105   2.962
  271   1HG   GLN  34          HG2       GLN  34  -5.113 -13.542   4.838
  272   2HG   GLN  34          HG1       GLN  34  -6.690 -13.895   5.547
  273   1HE2  GLN  34          HE21      GLN  34  -6.175 -16.039   6.286
  274   2HE2  GLN  34          HE22      GLN  34  -5.833 -17.315   5.220
  275    HA   PRO  35           HA       PRO  35  -6.800 -11.602  -1.295
  276   1HB   PRO  35          HB2       PRO  35  -8.161 -13.705  -2.454
  277   2HB   PRO  35          HB1       PRO  35  -6.405 -13.490  -2.545
  278   1HG   PRO  35          HG2       PRO  35  -7.985 -15.386  -0.852
  279   2HG   PRO  35          HG1       PRO  35  -6.350 -15.567  -1.509
  280   1HD   PRO  35          HD2       PRO  35  -6.942 -14.885   1.147
  281   2HD   PRO  35          HD1       PRO  35  -5.378 -14.612   0.349
  282    H    GLY  36           HN       GLY  36  -8.473 -10.243  -1.250
  283   1HA   GLY  36          HA2       GLY  36 -10.879  -9.807  -1.405
  284   2HA   GLY  36          HA1       GLY  36 -11.142 -11.202  -0.348
  285    H    GLU  37           HN       GLU  37  -8.429  -9.211   0.375
  286    HA   GLU  37           HA       GLU  37  -9.960  -7.985   2.640
  287   1HB   GLU  37          HB2       GLU  37  -7.322  -9.376   2.511
  288   2HB   GLU  37          HB1       GLU  37  -7.477  -8.018   3.620
  289   1HG   GLU  37          HG2       GLU  37  -9.700  -9.196   4.347
  290   2HG   GLU  37          HG1       GLU  37  -8.974 -10.625   3.610
  291    H    THR  38           HN       THR  38  -8.277  -6.111   3.561
  292    HA   THR  38           HA       THR  38  -7.303  -4.592   1.195
  293    HB   THR  38           HB       THR  38  -8.343  -2.544   2.540
  294    HG1  THR  38           HG1      THR  38  -9.549  -3.261   4.088
  295   1HG2  THR  38          HG21      THR  38  -8.814  -3.313   0.191
  296   2HG2  THR  38          HG22      THR  38 -10.217  -2.632   1.016
  297   3HG2  THR  38          HG23      THR  38 -10.055  -4.381   0.848
  298    H    LEU  39           HN       LEU  39  -5.770  -2.917   1.729
  299    HA   LEU  39           HA       LEU  39  -4.648  -2.964   4.485
  300   1HB   LEU  39          HB2       LEU  39  -3.376  -4.690   3.402
  301   2HB   LEU  39          HB1       LEU  39  -3.183  -3.723   1.943
  302    HG   LEU  39           HG       LEU  39  -2.056  -2.023   3.678
  303   1HD1  LEU  39          HD11      LEU  39  -1.997  -4.723   4.975
  304   2HD1  LEU  39          HD12      LEU  39  -2.219  -3.136   5.711
  305   3HD1  LEU  39          HD13      LEU  39  -0.619  -3.639   5.168
  306   1HD2  LEU  39          HD21      LEU  39   0.137  -3.141   3.116
  307   2HD2  LEU  39          HD22      LEU  39  -0.912  -2.869   1.725
  308   3HD2  LEU  39          HD23      LEU  39  -0.789  -4.478   2.435
  309    H    LEU  40           HN       LEU  40  -4.507  -0.792   4.985
  310    HA   LEU  40           HA       LEU  40  -4.242   1.190   2.824
  311   1HB   LEU  40          HB2       LEU  40  -5.755   1.784   4.627
  312   2HB   LEU  40          HB1       LEU  40  -4.506   1.474   5.835
  313    HG   LEU  40           HG       LEU  40  -3.125   3.284   4.820
  314   1HD1  LEU  40          HD11      LEU  40  -5.624   3.880   3.207
  315   2HD1  LEU  40          HD12      LEU  40  -4.184   3.103   2.547
  316   3HD1  LEU  40          HD13      LEU  40  -4.094   4.757   3.152
  317   1HD2  LEU  40          HD21      LEU  40  -4.111   4.744   6.239
  318   2HD2  LEU  40          HD22      LEU  40  -5.350   3.512   6.483
  319   3HD2  LEU  40          HD23      LEU  40  -5.593   4.781   5.282
  320    H    ILE  41           HN       ILE  41  -2.388   2.547   2.616
  321    HA   ILE  41           HA       ILE  41  -0.037   1.828   4.298
  322    HB   ILE  41           HB       ILE  41   0.168   1.969   1.296
  323   1HG1  ILE  41          HG12      ILE  41  -0.779  -0.315   3.027
  324   2HG1  ILE  41          HG11      ILE  41  -1.418   0.253   1.495
  325   1HG2  ILE  41          HG21      ILE  41   2.002   1.697   3.410
  326   2HG2  ILE  41          HG22      ILE  41   2.324   1.469   1.690
  327   3HG2  ILE  41          HG23      ILE  41   1.875   0.094   2.692
  328   1HD1  ILE  41          HD11      ILE  41   0.661  -1.712   1.989
  329   2HD1  ILE  41          HD12      ILE  41   1.206  -0.448   0.887
  330   3HD1  ILE  41          HD13      ILE  41  -0.238  -1.387   0.509
  331    H    ILE  42           HN       ILE  42   0.889   3.767   4.971
  332    HA   ILE  42           HA       ILE  42   0.430   6.118   3.224
  333    HB   ILE  42           HB       ILE  42   1.808   6.249   5.887
  334   1HG1  ILE  42          HG12      ILE  42  -1.151   5.915   5.365
  335   2HG1  ILE  42          HG11      ILE  42  -0.133   5.003   6.482
  336   1HG2  ILE  42          HG21      ILE  42   0.944   8.078   3.908
  337   2HG2  ILE  42          HG22      ILE  42   1.582   8.465   5.502
  338   3HG2  ILE  42          HG23      ILE  42  -0.155   8.285   5.266
  339   1HD1  ILE  42          HD11      ILE  42  -1.452   7.579   6.853
  340   2HD1  ILE  42          HD12      ILE  42   0.264   7.625   7.256
  341   3HD1  ILE  42          HD13      ILE  42  -0.799   6.468   8.058
  342    H    ALA  43           HN       ALA  43   2.383   7.503   2.938
  343    HA   ALA  43           HA       ALA  43   4.984   6.252   3.274
  344   1HB   ALA  43          HB1       ALA  43   3.666   5.265   1.140
  345   2HB   ALA  43          HB2       ALA  43   5.412   5.517   1.137
  346   3HB   ALA  43          HB3       ALA  43   4.346   6.714   0.400
  347    H    ASP  44           HN       ASP  44   6.367   7.923   3.503
  348    HA   ASP  44           HA       ASP  44   5.535  10.513   2.305
  349   1HB   ASP  44          HB2       ASP  44   6.925  11.644   3.910
  350   2HB   ASP  44          HB1       ASP  44   5.929  10.506   4.806
  351    H    ASP  45           HN       ASP  45   7.810   7.926   2.392
  352    HA   ASP  45           HA       ASP  45   9.984   9.183   1.032
  353   1HB   ASP  45          HB2       ASP  45  10.430   7.082   1.885
  354   2HB   ASP  45          HB1       ASP  45   8.908   6.435   1.307
  355    HA   PRO  46           HA       PRO  46   8.004   9.928  -2.848
  356   1HB   PRO  46          HB2       PRO  46  10.277  10.363  -4.331
  357   2HB   PRO  46          HB1       PRO  46   9.602  11.552  -3.204
  358   1HG   PRO  46          HG2       PRO  46  12.013   9.830  -2.894
  359   2HG   PRO  46          HG1       PRO  46  11.645  11.389  -2.139
  360   1HD   PRO  46          HD2       PRO  46  11.426   8.850  -0.904
  361   2HD   PRO  46          HD1       PRO  46  10.770  10.372  -0.281
  362    H    ALA  47           HN       ALA  47  10.306   7.427  -2.341
  363    HA   ALA  47           HA       ALA  47   9.895   6.218  -5.008
  364   1HB   ALA  47          HB1       ALA  47  12.132   6.136  -3.916
  365   2HB   ALA  47          HB2       ALA  47  11.499   4.525  -4.259
  366   3HB   ALA  47          HB3       ALA  47  11.437   5.166  -2.617
  367    H    THR  48           HN       THR  48   8.147   6.263  -2.180
  368    HA   THR  48           HA       THR  48   7.362   3.422  -2.246
  369    HB   THR  48           HB       THR  48   5.601   4.381  -0.540
  370    HG1  THR  48           HG1      THR  48   5.961   6.547  -1.007
  371   1HG2  THR  48          HG21      THR  48   8.575   4.360   0.037
  372   2HG2  THR  48          HG22      THR  48   7.503   2.961   0.066
  373   3HG2  THR  48          HG23      THR  48   7.297   4.250   1.249
  374    H    THR  49           HN       THR  49   5.932   6.586  -3.039
  375    HA   THR  49           HA       THR  49   3.339   5.692  -3.749
  376    HB   THR  49           HB       THR  49   3.032   7.751  -4.757
  377    HG1  THR  49           HG1      THR  49   5.724   7.765  -5.622
  378   1HG2  THR  49          HG21      THR  49   4.029   9.284  -3.402
  379   2HG2  THR  49          HG22      THR  49   5.651   8.688  -3.752
  380   3HG2  THR  49          HG23      THR  49   4.638   7.851  -2.576
  381    H    ARG  50           HN       ARG  50   6.396   5.519  -5.458
  382    HA   ARG  50           HA       ARG  50   5.017   4.437  -7.853
  383   1HB   ARG  50          HB2       ARG  50   7.851   5.276  -7.277
  384   2HB   ARG  50          HB1       ARG  50   7.414   4.425  -8.758
  385   1HG   ARG  50          HG2       ARG  50   5.521   6.535  -8.347
  386   2HG   ARG  50          HG1       ARG  50   7.144   7.208  -8.196
  387   1HD   ARG  50          HD2       ARG  50   7.486   5.605 -10.362
  388   2HD   ARG  50          HD1       ARG  50   5.792   6.050 -10.565
  389    HE   ARG  50           HE       ARG  50   6.861   8.484 -10.141
  390   1HH1  ARG  50          HH11      ARG  50   7.695   5.840 -12.187
  391   2HH1  ARG  50          HH12      ARG  50   8.658   6.800 -13.257
  392   1HH2  ARG  50          HH21      ARG  50   8.230   9.728 -11.453
  393   2HH2  ARG  50          HH22      ARG  50   8.959   8.998 -12.845
  394    H    ASP  51           HN       ASP  51   7.314   3.359  -5.388
  395    HA   ASP  51           HA       ASP  51   7.574   0.744  -6.699
  396   1HB   ASP  51          HB2       ASP  51   8.672   1.761  -4.063
  397   2HB   ASP  51          HB1       ASP  51   9.133   0.249  -4.851
  398    H    ILE  52           HN       ILE  52   6.247   1.887  -3.578
  399    HA   ILE  52           HA       ILE  52   5.542  -0.624  -2.553
  400    HB   ILE  52           HB       ILE  52   4.540   2.138  -2.158
  401   1HG1  ILE  52          HG12      ILE  52   5.575  -0.114  -0.441
  402   2HG1  ILE  52          HG11      ILE  52   6.374   1.411  -0.828
  403   1HG2  ILE  52          HG21      ILE  52   2.747   1.368  -0.629
  404   2HG2  ILE  52          HG22      ILE  52   3.039  -0.295  -1.137
  405   3HG2  ILE  52          HG23      ILE  52   2.417   0.883  -2.292
  406   1HD1  ILE  52          HD11      ILE  52   4.464   0.823   1.284
  407   2HD1  ILE  52          HD12      ILE  52   3.922   2.168   0.282
  408   3HD1  ILE  52          HD13      ILE  52   5.495   2.237   1.076
  409    HA   PRO  53           HA       PRO  53   1.391  -0.475  -4.797
  410   1HB   PRO  53          HB2       PRO  53   1.186   1.295  -6.884
  411   2HB   PRO  53          HB1       PRO  53   0.624   1.611  -5.233
  412   1HG   PRO  53          HG2       PRO  53   3.036   2.658  -6.644
  413   2HG   PRO  53          HG1       PRO  53   2.112   3.388  -5.320
  414   1HD   PRO  53          HD2       PRO  53   4.578   2.063  -5.048
  415   2HD   PRO  53          HD1       PRO  53   3.457   2.431  -3.719
  416    H    GLY  54           HN       GLY  54   3.967   0.598  -7.047
  417   1HA   GLY  54          HA2       GLY  54   3.344  -1.142  -9.160
  418   2HA   GLY  54          HA1       GLY  54   5.003  -0.666  -8.756
  419    H    PHE  55           HN       PHE  55   4.581  -1.827  -5.976
  420    HA   PHE  55           HA       PHE  55   5.488  -4.518  -6.652
  421   1HB   PHE  55          HB2       PHE  55   6.559  -3.829  -4.720
  422   2HB   PHE  55          HB1       PHE  55   5.170  -2.902  -4.155
  423    HD1  PHE  55           HD1      PHE  55   5.351  -6.478  -5.247
  424    HD2  PHE  55           HD2      PHE  55   4.699  -3.747  -2.007
  425    HE1  PHE  55           HE1      PHE  55   4.642  -8.358  -3.814
  426    HE2  PHE  55           HE2      PHE  55   3.984  -5.636  -0.580
  427    HZ   PHE  55           HZ       PHE  55   3.947  -7.937  -1.483
  428    H    CYS  56           HN       CYS  56   2.639  -3.220  -4.851
  429    HA   CYS  56           HA       CYS  56   1.355  -5.718  -4.504
  430   1HB   CYS  56          HB2       CYS  56   0.335  -2.903  -4.788
  431   2HB   CYS  56          HB1       CYS  56  -0.778  -4.254  -4.562
  432    HG   CYS  56           HG       CYS  56   1.087  -3.114  -2.419
  433    H    THR  57           HN       THR  57   1.319  -3.551  -7.301
  434    HA   THR  57           HA       THR  57  -0.746  -4.955  -8.719
  435    HB   THR  57           HB       THR  57   1.564  -3.412  -9.915
  436    HG1  THR  57           HG1      THR  57   0.677  -1.945  -8.640
  437   1HG2  THR  57          HG21      THR  57   0.527  -3.911 -11.843
  438   2HG2  THR  57          HG22      THR  57  -0.880  -3.014 -11.272
  439   3HG2  THR  57          HG23      THR  57  -0.759  -4.748 -10.973
  440    H    PHE  58           HN       PHE  58   2.734  -5.437  -8.470
  441    HA   PHE  58           HA       PHE  58   2.876  -7.335 -10.657
  442   1HB   PHE  58          HB2       PHE  58   4.750  -5.900  -9.422
  443   2HB   PHE  58          HB1       PHE  58   4.896  -7.371  -8.459
  444    HD1  PHE  58           HD1      PHE  58   5.954  -5.753 -11.412
  445    HD2  PHE  58           HD2      PHE  58   4.926  -9.628  -9.868
  446    HE1  PHE  58           HE1      PHE  58   7.237  -6.823 -13.245
  447    HE2  PHE  58           HE2      PHE  58   6.210 -10.698 -11.701
  448    HZ   PHE  58           HZ       PHE  58   7.365  -9.296 -13.388
  449    H    MET  59           HN       MET  59   2.276  -7.650  -7.176
  450    HA   MET  59           HA       MET  59   2.618 -10.557  -7.308
  451   1HB   MET  59          HB2       MET  59   2.093  -8.596  -5.181
  452   2HB   MET  59          HB1       MET  59   1.512 -10.231  -4.903
  453   1HG   MET  59          HG2       MET  59   4.354  -9.462  -5.633
  454   2HG   MET  59          HG1       MET  59   3.801  -9.963  -4.035
  455   1HE   MET  59          HE1       MET  59   6.167 -12.431  -5.779
  456   2HE   MET  59          HE2       MET  59   5.608 -12.599  -4.116
  457   3HE   MET  59          HE3       MET  59   5.973 -11.000  -4.760
  458    H    GLU  60           HN       GLU  60   0.246  -8.675  -8.460
  459    HA   GLU  60           HA       GLU  60  -1.860  -9.380  -9.294
  460   1HB   GLU  60          HB2       GLU  60  -0.839 -11.780  -8.544
  461   2HB   GLU  60          HB1       GLU  60  -2.180 -11.638  -7.407
  462   1HG   GLU  60          HG2       GLU  60  -3.762 -11.325  -9.205
  463   2HG   GLU  60          HG1       GLU  60  -2.462 -11.213 -10.392
  464    H    HIS  61           HN       HIS  61  -1.206  -7.788  -6.801
  465    HA   HIS  61           HA       HIS  61  -3.678  -8.168  -5.223
  466   1HB   HIS  61          HB2       HIS  61  -1.408  -6.197  -4.806
  467   2HB   HIS  61          HB1       HIS  61  -2.662  -6.633  -3.653
  468    HD1  HIS  61           HD1      HIS  61  -2.136  -9.728  -5.031
  469    HD2  HIS  61           HD2      HIS  61   0.289  -7.369  -2.598
  470    HE1  HIS  61           HE1      HIS  61  -0.458 -11.289  -3.971
  471    H    GLU  62           HN       GLU  62  -4.736  -5.867  -4.653
  472    HA   GLU  62           HA       GLU  62  -4.818  -4.347  -7.230
  473   1HB   GLU  62          HB2       GLU  62  -6.973  -5.385  -5.479
  474   2HB   GLU  62          HB1       GLU  62  -7.244  -3.836  -6.255
  475   1HG   GLU  62          HG2       GLU  62  -6.137  -5.986  -7.981
  476   2HG   GLU  62          HG1       GLU  62  -7.807  -6.199  -7.453
  477    H    LEU  63           HN       LEU  63  -4.804  -2.180  -7.120
  478    HA   LEU  63           HA       LEU  63  -4.205  -0.901  -4.522
  479   1HB   LEU  63          HB2       LEU  63  -2.855   0.070  -6.181
  480   2HB   LEU  63          HB1       LEU  63  -4.093  -0.091  -7.421
  481    HG   LEU  63           HG       LEU  63  -5.415   1.692  -6.156
  482   1HD1  LEU  63          HD11      LEU  63  -4.538   2.745  -4.333
  483   2HD1  LEU  63          HD12      LEU  63  -2.892   2.674  -4.963
  484   3HD1  LEU  63          HD13      LEU  63  -3.595   1.263  -4.170
  485   1HD2  LEU  63          HD21      LEU  63  -4.531   3.182  -7.616
  486   2HD2  LEU  63          HD22      LEU  63  -3.441   1.877  -8.086
  487   3HD2  LEU  63          HD23      LEU  63  -2.928   3.066  -6.888
  488    H    VAL  64           HN       VAL  64  -6.163  -0.812  -3.351
  489    HA   VAL  64           HA       VAL  64  -8.655  -0.505  -4.696
  490    HB   VAL  64           HB       VAL  64  -7.800  -0.359  -1.806
  491   1HG1  VAL  64          HG11      VAL  64  -9.828   0.888  -1.952
  492   2HG1  VAL  64          HG12      VAL  64 -10.286  -0.739  -1.443
  493   3HG1  VAL  64          HG13      VAL  64 -10.506  -0.244  -3.119
  494   1HG2  VAL  64          HG21      VAL  64  -8.027  -2.475  -3.576
  495   2HG2  VAL  64          HG22      VAL  64  -9.585  -2.479  -2.750
  496   3HG2  VAL  64          HG23      VAL  64  -8.094  -2.600  -1.818
  497    H    ALA  65           HN       ALA  65  -6.725   1.851  -2.710
  498    HA   ALA  65           HA       ALA  65  -8.027   3.968  -4.358
  499   1HB   ALA  65          HB1       ALA  65  -8.683   3.419  -1.567
  500   2HB   ALA  65          HB2       ALA  65  -9.500   4.470  -2.724
  501   3HB   ALA  65          HB3       ALA  65  -8.120   5.073  -1.806
  502    H    LYS  66           HN       LYS  66  -6.469   5.550  -4.876
  503    HA   LYS  66           HA       LYS  66  -3.955   5.393  -3.340
  504   1HB   LYS  66          HB2       LYS  66  -4.312   7.109  -5.740
  505   2HB   LYS  66          HB1       LYS  66  -2.885   6.221  -5.206
  506   1HG   LYS  66          HG2       LYS  66  -3.551   4.832  -6.849
  507   2HG   LYS  66          HG1       LYS  66  -4.555   4.171  -5.589
  508   1HD   LYS  66          HD2       LYS  66  -6.343   4.617  -6.883
  509   2HD   LYS  66          HD1       LYS  66  -6.006   6.331  -6.642
  510   1HE   LYS  66          HE2       LYS  66  -5.004   6.567  -8.695
  511   2HE   LYS  66          HE1       LYS  66  -4.375   4.920  -8.694
  512   1HZ   LYS  66          HZ1       LYS  66  -6.848   4.277  -8.874
  513   2HZ   LYS  66          HZ2       LYS  66  -6.041   4.829 -10.264
  514   3HZ   LYS  66          HZ3       LYS  66  -7.070   5.873  -9.404
  515    H    GLU  67           HN       GLU  67  -2.872   7.373  -2.814
  516    HA   GLU  67           HA       GLU  67  -4.617   9.738  -2.479
  517   1HB   GLU  67          HB2       GLU  67  -3.364   8.103  -0.383
  518   2HB   GLU  67          HB1       GLU  67  -3.334   9.827  -0.151
  519   1HG   GLU  67          HG2       GLU  67  -5.928   9.312  -1.022
  520   2HG   GLU  67          HG1       GLU  67  -5.571   7.973   0.069
  521    H    THR  68           HN       THR  68  -3.515  11.263  -3.607
  522    HA   THR  68           HA       THR  68  -0.604  11.611  -3.024
  523    HB   THR  68           HB       THR  68  -0.165  12.036  -5.397
  524    HG1  THR  68           HG1      THR  68  -2.901  11.368  -5.730
  525   1HG2  THR  68          HG21      THR  68  -0.907   9.690  -6.282
  526   2HG2  THR  68          HG22      THR  68  -1.493   9.447  -4.637
  527   3HG2  THR  68          HG23      THR  68   0.215   9.776  -4.925
  528    H    ASP  69           HN       ASP  69  -3.016  12.934  -2.034
  529    HA   ASP  69           HA       ASP  69  -3.236  15.486  -3.434
  530   1HB   ASP  69          HB2       ASP  69  -4.170  14.713  -0.666
  531   2HB   ASP  69          HB1       ASP  69  -4.695  16.132  -1.574
  532    H    GLY  70           HN       GLY  70  -0.786  14.290  -1.760
  533   1HA   GLY  70          HA2       GLY  70   1.034  16.050  -1.497
  534   2HA   GLY  70          HA1       GLY  70  -0.094  16.794  -0.394
  535    H    LEU  71           HN       LEU  71   2.514  15.151  -0.378
  536    HA   LEU  71           HA       LEU  71   2.528  12.854   1.023
  537   1HB   LEU  71          HB2       LEU  71   4.157  15.283   1.787
  538   2HB   LEU  71          HB1       LEU  71   4.514  13.635   2.261
  539    HG   LEU  71           HG       LEU  71   4.119  14.133  -0.616
  540   1HD1  LEU  71          HD11      LEU  71   5.726  15.906   0.629
  541   2HD1  LEU  71          HD12      LEU  71   6.072  15.286  -0.985
  542   3HD1  LEU  71          HD13      LEU  71   6.867  14.578   0.420
  543   1HD2  LEU  71          HD21      LEU  71   6.052  12.483  -0.644
  544   2HD2  LEU  71          HD22      LEU  71   4.564  11.888   0.094
  545   3HD2  LEU  71          HD23      LEU  71   5.903  12.416   1.111
  546    HA   PRO  72           HA       PRO  72   3.341  11.820   2.464
  547   1HB   PRO  72          HB2       PRO  72   2.328   9.825   4.020
  548   2HB   PRO  72          HB1       PRO  72   3.557  10.962   4.609
  549   1HG   PRO  72          HG2       PRO  72   0.646  10.864   5.199
  550   2HG   PRO  72          HG1       PRO  72   1.965  11.457   6.226
  551   1HD   PRO  72          HD2       PRO  72   0.185  13.069   4.728
  552   2HD   PRO  72          HD1       PRO  72   1.729  13.610   5.425
  553    H    TYR  73           HN       TYR  73   2.779  10.193   0.984
  554    HA   TYR  73           HA       TYR  73   0.177  10.275  -0.227
  555   1HB   TYR  73          HB2       TYR  73   2.079   8.036  -0.630
  556   2HB   TYR  73          HB1       TYR  73   0.984   8.764  -1.796
  557    HD1  TYR  73           HD1      TYR  73   4.221   8.697  -0.407
  558    HD2  TYR  73           HD2      TYR  73   1.491  11.175  -2.557
  559    HE1  TYR  73           HE1      TYR  73   6.128  10.041  -1.221
  560    HE2  TYR  73           HE2      TYR  73   3.365  12.577  -3.355
  561    HH   TYR  73           HH       TYR  73   6.424  11.661  -3.434
  562    H    ARG  74           HN       ARG  74  -1.209   8.293  -0.511
  563    HA   ARG  74           HA       ARG  74  -0.738   6.173   1.437
  564   1HB   ARG  74          HB2       ARG  74  -3.079   8.046   1.530
  565   2HB   ARG  74          HB1       ARG  74  -3.254   6.358   2.031
  566   1HG   ARG  74          HG2       ARG  74  -1.901   6.580   3.823
  567   2HG   ARG  74          HG1       ARG  74  -0.909   7.800   3.068
  568   1HD   ARG  74          HD2       ARG  74  -3.703   8.613   3.576
  569   2HD   ARG  74          HD1       ARG  74  -2.738   8.331   5.024
  570    HE   ARG  74           HE       ARG  74  -1.054   9.919   3.654
  571   1HH1  ARG  74          HH21      ARG  74  -3.078  10.928   1.801
  572   2HH1  ARG  74          HH22      ARG  74  -3.772  12.268   2.652
  573   1HH2  ARG  74          HH11      ARG  74  -2.544  11.286   5.742
  574   2HH2  ARG  74          HH12      ARG  74  -3.470  12.470   4.883
  575    H    TYR  75           HN       TYR  75  -1.863   4.288   0.856
  576    HA   TYR  75           HA       TYR  75  -3.393   4.360  -1.636
  577   1HB   TYR  75          HB2       TYR  75  -1.188   2.399  -1.613
  578   2HB   TYR  75          HB1       TYR  75  -1.973   3.197  -2.974
  579    HD1  TYR  75           HD1      TYR  75  -1.536   5.795  -3.187
  580    HD2  TYR  75           HD2      TYR  75   0.804   3.109  -0.874
  581    HE1  TYR  75           HE1      TYR  75   0.369   7.378  -3.322
  582    HE2  TYR  75           HE2      TYR  75   2.742   4.676  -0.976
  583    HH   TYR  75           HH       TYR  75   3.356   6.790  -1.519
  584    H    LEU  76           HN       LEU  76  -5.067   2.916  -1.317
  585    HA   LEU  76           HA       LEU  76  -4.735   1.009   0.807
  586   1HB   LEU  76          HB2       LEU  76  -6.914   2.119   0.599
  587   2HB   LEU  76          HB1       LEU  76  -7.099   1.464  -1.012
  588    HG   LEU  76           HG       LEU  76  -6.715  -0.825   0.060
  589   1HD1  LEU  76          HD11      LEU  76  -7.854  -0.112   2.573
  590   2HD1  LEU  76          HD12      LEU  76  -6.402   0.859   2.332
  591   3HD1  LEU  76          HD13      LEU  76  -6.309  -0.900   2.258
  592   1HD2  LEU  76          HD21      LEU  76  -8.889  -0.963  -0.293
  593   2HD2  LEU  76          HD22      LEU  76  -8.969   0.799  -0.322
  594   3HD2  LEU  76          HD23      LEU  76  -9.219  -0.071   1.191
  595    H    ILE  77           HN       ILE  77  -4.911  -1.368   0.265
  596    HA   ILE  77           HA       ILE  77  -4.864  -1.924  -2.624
  597    HB   ILE  77           HB       ILE  77  -2.769  -2.974  -0.724
  598   1HG1  ILE  77          HG12      ILE  77  -2.841  -0.541  -2.498
  599   2HG1  ILE  77          HG11      ILE  77  -2.333  -0.658  -0.817
  600   1HG2  ILE  77          HG21      ILE  77  -2.330  -2.814  -3.657
  601   2HG2  ILE  77          HG22      ILE  77  -3.550  -3.976  -3.133
  602   3HG2  ILE  77          HG23      ILE  77  -1.901  -4.097  -2.526
  603   1HD1  ILE  77          HD11      ILE  77  -0.414  -0.403  -2.391
  604   2HD1  ILE  77          HD12      ILE  77  -0.865  -1.934  -3.139
  605   3HD1  ILE  77          HD13      ILE  77  -0.340  -1.895  -1.455
  606    H    ARG  78           HN       ARG  78  -6.589  -3.315  -2.766
  607    HA   ARG  78           HA       ARG  78  -7.286  -5.092  -0.580
  608   1HB   ARG  78          HB2       ARG  78  -9.089  -4.473  -2.001
  609   2HB   ARG  78          HB1       ARG  78  -8.180  -4.871  -3.459
  610   1HG   ARG  78          HG2       ARG  78  -8.209  -7.267  -2.805
  611   2HG   ARG  78          HG1       ARG  78  -9.167  -6.852  -1.382
  612   1HD   ARG  78          HD2       ARG  78 -11.000  -6.090  -2.743
  613   2HD   ARG  78          HD1       ARG  78 -10.031  -6.205  -4.211
  614    HE   ARG  78           HE       ARG  78  -9.957  -8.762  -3.519
  615   1HH1  ARG  78          HH21      ARG  78 -12.529  -6.505  -3.728
  616   2HH1  ARG  78          HH22      ARG  78 -13.776  -7.697  -3.574
  617   1HH2  ARG  78          HH11      ARG  78 -11.573 -10.325  -3.063
  618   2HH2  ARG  78          HH12      ARG  78 -13.235  -9.858  -3.199
  619    H    LYS  79           HN       LYS  79  -5.921  -6.734  -0.048
  620    HA   LYS  79           HA       LYS  79  -3.975  -7.920  -1.771
  621   1HB   LYS  79          HB2       LYS  79  -4.044  -8.056   0.756
  622   2HB   LYS  79          HB1       LYS  79  -5.304  -9.278   0.585
  623   1HG   LYS  79          HG2       LYS  79  -2.647  -9.512  -0.836
  624   2HG   LYS  79          HG1       LYS  79  -2.888 -10.136   0.796
  625   1HD   LYS  79          HD2       LYS  79  -5.088 -11.144  -0.475
  626   2HD   LYS  79          HD1       LYS  79  -3.902 -11.166  -1.781
  627   1HE   LYS  79          HE2       LYS  79  -2.451 -12.109   0.378
  628   2HE   LYS  79          HE1       LYS  79  -4.043 -12.822   0.636
  629   1HZ   LYS  79          HZ1       LYS  79  -3.210 -12.939  -2.100
  630   2HZ   LYS  79          HZ2       LYS  79  -3.775 -14.179  -1.086
  631   3HZ   LYS  79          HZ3       LYS  79  -2.133 -13.747  -1.069
  632    H    GLY  80           HN       GLY  80  -4.204  -9.413  -3.345
  633   1HA   GLY  80          HA2       GLY  80  -6.528 -11.245  -3.311
  634   2HA   GLY  80          HA1       GLY  80  -6.365 -10.183  -4.711
  635    H    GLY  81           HN       GLY  81  -6.208 -12.502  -5.684
  636   1HA   GLY  81          HA2       GLY  81  -3.885 -13.020  -6.952
  637   2HA   GLY  81          HA1       GLY  81  -3.545 -13.733  -5.375
  Start of MODEL    7
    1   1H    MET   1          HT1       MET   1 -16.732  11.819   1.086
    2   2H    MET   1          HT2       MET   1 -16.263  11.762   2.718
    3   3H    MET   1          HT3       MET   1 -17.295  12.995   2.170
    4    HA   MET   1           HA       MET   1 -18.491  11.265   3.413
    5   1HB   MET   1          HB2       MET   1 -19.167  11.327   0.457
    6   2HB   MET   1          HB1       MET   1 -20.283  11.015   1.788
    7   1HG   MET   1          HG2       MET   1 -19.731  13.307   2.683
    8   2HG   MET   1          HG1       MET   1 -18.818  13.603   1.203
    9   1HE   MET   1          HE1       MET   1 -21.312  15.383  -0.701
   10   2HE   MET   1          HE2       MET   1 -19.670  14.755  -0.602
   11   3HE   MET   1          HE3       MET   1 -20.309  15.738   0.713
   12    H    THR   2           HN       THR   2 -17.921   9.938   0.144
   13    HA   THR   2           HA       THR   2 -17.806   7.232   1.328
   14    HB   THR   2           HB       THR   2 -17.463   6.764  -1.291
   15    HG1  THR   2           HG1      THR   2 -18.933   9.177  -1.252
   16   1HG2  THR   2          HG21      THR   2 -19.857   7.269   0.398
   17   2HG2  THR   2          HG22      THR   2 -19.380   5.811  -0.470
   18   3HG2  THR   2          HG23      THR   2 -20.128   7.150  -1.340
   19    H    ASP   3           HN       ASP   3 -15.806   6.798   2.188
   20    HA   ASP   3           HA       ASP   3 -13.418   7.501   0.527
   21   1HB   ASP   3          HB2       ASP   3 -13.768   8.390   2.984
   22   2HB   ASP   3          HB1       ASP   3 -13.233   6.771   3.434
   23    H    LEU   4           HN       LEU   4 -12.579   5.754  -0.498
   24    HA   LEU   4           HA       LEU   4 -13.322   3.044   0.168
   25   1HB   LEU   4          HB2       LEU   4 -10.949   3.936  -1.495
   26   2HB   LEU   4          HB1       LEU   4 -11.792   2.389  -1.581
   27    HG   LEU   4           HG       LEU   4 -13.147   5.041  -2.128
   28   1HD1  LEU   4          HD11      LEU   4 -12.988   3.913  -4.558
   29   2HD1  LEU   4          HD12      LEU   4 -11.504   3.260  -3.867
   30   3HD1  LEU   4          HD13      LEU   4 -11.743   5.005  -3.952
   31   1HD2  LEU   4          HD21      LEU   4 -13.895   2.147  -2.229
   32   2HD2  LEU   4          HD22      LEU   4 -14.581   3.216  -3.454
   33   3HD2  LEU   4          HD23      LEU   4 -14.864   3.538  -1.743
   34    H    PHE   5           HN       PHE   5 -11.131   5.188   1.572
   35    HA   PHE   5           HA       PHE   5  -9.189   3.148   2.408
   36   1HB   PHE   5          HB2       PHE   5  -9.462   6.107   2.698
   37   2HB   PHE   5          HB1       PHE   5  -8.507   5.250   3.908
   38    HD1  PHE   5           HD1      PHE   5  -6.547   6.587   2.973
   39    HD2  PHE   5           HD2      PHE   5  -8.664   3.652   0.670
   40    HE1  PHE   5           HE1      PHE   5  -4.669   6.432   1.375
   41    HE2  PHE   5           HE2      PHE   5  -6.743   3.521  -0.893
   42    HZ   PHE   5           HZ       PHE   5  -4.752   4.962  -0.562
   43    H    SER   6           HN       SER   6 -12.195   3.305   3.225
   44    HA   SER   6           HA       SER   6 -12.584   3.878   5.909
   45   1HB   SER   6          HB2       SER   6 -13.543   1.437   4.389
   46   2HB   SER   6          HB1       SER   6 -14.176   1.945   5.952
   47    HG   SER   6           HG       SER   6 -14.999   3.751   5.036
   48    H    SER   7           HN       SER   7 -12.756   2.065   7.713
   49    HA   SER   7           HA       SER   7 -10.214   1.340   8.564
   50   1HB   SER   7          HB2       SER   7 -11.247  -0.044  10.166
   51   2HB   SER   7          HB1       SER   7 -12.508   1.120   9.769
   52    HG   SER   7           HG       SER   7 -13.134  -0.514   8.124
   53    HA   PRO   8           HA       PRO   8  -9.449  -1.683   5.295
   54   1HB   PRO   8          HB2       PRO   8  -6.719  -1.581   5.576
   55   2HB   PRO   8          HB1       PRO   8  -7.651  -0.425   4.611
   56   1HG   PRO   8          HG2       PRO   8  -6.400  -0.050   7.295
   57   2HG   PRO   8          HG1       PRO   8  -6.735   1.149   6.036
   58   1HD   PRO   8          HD2       PRO   8  -8.273   0.747   8.363
   59   2HD   PRO   8          HD1       PRO   8  -8.789   1.652   6.925
   60    H    ASP   9           HN       ASP   9  -8.238  -3.811   5.361
   61    HA   ASP   9           HA       ASP   9  -8.674  -5.116   7.934
   62   1HB   ASP   9          HB2       ASP   9  -7.420  -6.161   5.373
   63   2HB   ASP   9          HB1       ASP   9  -7.895  -7.149   6.756
   64    H    HIS  10           HN       HIS  10  -6.008  -3.656   6.268
   65    HA   HIS  10           HA       HIS  10  -4.250  -4.283   8.571
   66   1HB   HIS  10          HB2       HIS  10  -3.780  -5.076   5.705
   67   2HB   HIS  10          HB1       HIS  10  -2.422  -4.748   6.773
   68    HD1  HIS  10           HD1      HIS  10  -1.636  -6.729   8.079
   69    HD2  HIS  10           HD2      HIS  10  -5.650  -7.081   7.009
   70    HE1  HIS  10           HE1      HIS  10  -2.399  -9.000   8.901
   71    H    THR  11           HN       THR  11  -2.060  -2.990   8.163
   72    HA   THR  11           HA       THR  11  -2.523  -0.532   6.573
   73    HB   THR  11           HB       THR  11  -1.748  -0.481   9.489
   74    HG1  THR  11           HG1      THR  11  -3.788  -0.212   9.932
   75   1HG2  THR  11          HG21      THR  11  -2.033   1.944   9.266
   76   2HG2  THR  11          HG22      THR  11  -2.501   1.748   7.577
   77   3HG2  THR  11          HG23      THR  11  -0.856   1.366   8.086
   78    H    LEU  12           HN       LEU  12  -0.476   0.724   6.357
   79    HA   LEU  12           HA       LEU  12   1.996  -0.708   7.142
   80   1HB   LEU  12          HB2       LEU  12   1.687  -1.682   4.987
   81   2HB   LEU  12          HB1       LEU  12   1.164  -0.149   4.301
   82    HG   LEU  12           HG       LEU  12   3.385   0.758   4.291
   83   1HD1  LEU  12          HD11      LEU  12   3.868  -1.357   6.393
   84   2HD1  LEU  12          HD12      LEU  12   4.207   0.370   6.456
   85   3HD1  LEU  12          HD13      LEU  12   5.222  -0.687   5.486
   86   1HD2  LEU  12          HD21      LEU  12   3.487  -0.778   2.547
   87   2HD2  LEU  12          HD22      LEU  12   3.275  -2.167   3.613
   88   3HD2  LEU  12          HD23      LEU  12   4.823  -1.331   3.549
   89    H    ASP  13           HN       ASP  13   2.985   0.954   8.221
   90    HA   ASP  13           HA       ASP  13   2.705   3.725   7.332
   91   1HB   ASP  13          HB2       ASP  13   3.059   3.351   9.703
   92   2HB   ASP  13          HB1       ASP  13   4.509   2.398   9.384
   93    H    ALA  14           HN       ALA  14   4.135   4.788   5.915
   94    HA   ALA  14           HA       ALA  14   6.693   3.404   5.328
   95   1HB   ALA  14          HB1       ALA  14   6.299   2.968   3.150
   96   2HB   ALA  14          HB2       ALA  14   5.309   4.411   2.930
   97   3HB   ALA  14          HB3       ALA  14   4.614   2.965   3.664
   98    H    LEU  15           HN       LEU  15   5.498   5.779   6.605
   99    HA   LEU  15           HA       LEU  15   6.554   8.098   5.237
  100   1HB   LEU  15          HB2       LEU  15   5.878   7.975   8.153
  101   2HB   LEU  15          HB1       LEU  15   5.710   9.290   7.007
  102    HG   LEU  15           HG       LEU  15   4.063   6.770   6.876
  103   1HD1  LEU  15          HD11      LEU  15   2.753   7.625   8.480
  104   2HD1  LEU  15          HD12      LEU  15   2.514   9.071   7.500
  105   3HD1  LEU  15          HD13      LEU  15   3.846   8.998   8.652
  106   1HD2  LEU  15          HD21      LEU  15   4.621   8.685   4.959
  107   2HD2  LEU  15          HD22      LEU  15   3.101   9.242   5.657
  108   3HD2  LEU  15          HD23      LEU  15   3.209   7.627   4.965
  109    H    GLY  16           HN       GLY  16   8.686   7.988   5.041
  110   1HA   GLY  16          HA2       GLY  16  10.888   8.407   6.003
  111   2HA   GLY  16          HA1       GLY  16  10.335   7.623   7.491
  112    H    LEU  17           HN       LEU  17   9.050   5.807   5.102
  113    HA   LEU  17           HA       LEU  17  11.205   3.791   5.248
  114   1HB   LEU  17          HB2       LEU  17   8.354   3.658   4.219
  115   2HB   LEU  17          HB1       LEU  17   9.486   2.312   4.191
  116    HG   LEU  17           HG       LEU  17   8.052   3.542   6.490
  117   1HD1  LEU  17          HD11      LEU  17   7.381   1.378   6.739
  118   2HD1  LEU  17          HD12      LEU  17   9.020   0.765   6.527
  119   3HD1  LEU  17          HD13      LEU  17   8.032   1.145   5.117
  120   1HD2  LEU  17          HD21      LEU  17  10.839   2.393   6.589
  121   2HD2  LEU  17          HD22      LEU  17   9.772   2.436   7.994
  122   3HD2  LEU  17          HD23      LEU  17  10.283   3.940   7.226
  123    H    ARG  18           HN       ARG  18  12.076   2.963   3.293
  124    HA   ARG  18           HA       ARG  18  11.131   4.334   0.848
  125   1HB   ARG  18          HB2       ARG  18  13.610   4.725   0.246
  126   2HB   ARG  18          HB1       ARG  18  12.816   5.809   1.391
  127   1HG   ARG  18          HG2       ARG  18  13.924   4.893   3.239
  128   2HG   ARG  18          HG1       ARG  18  14.265   3.379   2.402
  129   1HD   ARG  18          HD2       ARG  18  16.177   4.182   1.479
  130   2HD   ARG  18          HD1       ARG  18  15.450   5.747   1.113
  131    HE   ARG  18           HE       ARG  18  15.890   6.380   3.490
  132   1HH1  ARG  18          HH11      ARG  18  16.717   3.164   3.271
  133   2HH1  ARG  18          HH12      ARG  18  18.312   3.332   3.925
  134   1HH2  ARG  18          HH21      ARG  18  18.260   6.798   3.861
  135   2HH2  ARG  18          HH22      ARG  18  19.185   5.390   4.259
  136    H    CYS  19           HN       CYS  19  11.616   3.182  -1.044
  137    HA   CYS  19           HA       CYS  19  11.499   0.400  -0.911
  138   1HB   CYS  19          HB2       CYS  19  11.098   1.436  -3.003
  139   2HB   CYS  19          HB1       CYS  19  12.693   2.181  -3.038
  140    HG   CYS  19           HG       CYS  19  13.680   0.049  -3.884
  141    HA   PRO  20           HA       PRO  20  11.950  -1.377  -1.568
  142   1HB   PRO  20          HB2       PRO  20  12.839  -3.764  -0.582
  143   2HB   PRO  20          HB1       PRO  20  13.382  -3.108  -2.137
  144   1HG   PRO  20          HG2       PRO  20  14.861  -3.283   0.438
  145   2HG   PRO  20          HG1       PRO  20  15.494  -3.193  -1.210
  146   1HD   PRO  20          HD2       PRO  20  15.320  -1.061   0.681
  147   2HD   PRO  20          HD1       PRO  20  15.795  -0.938  -1.027
  148    H    GLU  21           HN       GLU  21  12.989  -0.409   1.442
  149    HA   GLU  21           HA       GLU  21  11.923  -2.149   3.319
  150   1HB   GLU  21          HB2       GLU  21  12.344   0.763   3.310
  151   2HB   GLU  21          HB1       GLU  21  11.422   0.080   4.639
  152   1HG   GLU  21          HG2       GLU  21  13.912  -1.361   3.918
  153   2HG   GLU  21          HG1       GLU  21  14.129   0.234   4.641
  154    HA   PRO  22           HA       PRO  22   7.669  -0.045   3.246
  155   1HB   PRO  22          HB2       PRO  22   7.063   1.267   0.901
  156   2HB   PRO  22          HB1       PRO  22   7.702   2.063   2.334
  157   1HG   PRO  22          HG2       PRO  22   9.096   1.367  -0.202
  158   2HG   PRO  22          HG1       PRO  22   9.431   2.683   0.937
  159   1HD   PRO  22          HD2       PRO  22  10.887   0.314   0.765
  160   2HD   PRO  22          HD1       PRO  22  10.894   1.395   2.165
  161    H    VAL  23           HN       VAL  23   8.463  -0.538  -0.168
  162    HA   VAL  23           HA       VAL  23   6.360  -2.232  -0.906
  163    HB   VAL  23           HB       VAL  23   9.295  -2.375  -1.640
  164   1HG1  VAL  23          HG11      VAL  23   6.888  -3.876  -2.635
  165   2HG1  VAL  23          HG12      VAL  23   8.517  -4.472  -2.315
  166   3HG1  VAL  23          HG13      VAL  23   8.200  -3.500  -3.752
  167   1HG2  VAL  23          HG21      VAL  23   7.239  -1.416  -3.551
  168   2HG2  VAL  23          HG22      VAL  23   8.855  -0.788  -3.231
  169   3HG2  VAL  23          HG23      VAL  23   7.519  -0.374  -2.157
  170    H    MET  24           HN       MET  24   9.123  -2.828   1.174
  171    HA   MET  24           HA       MET  24   8.902  -5.733   1.134
  172   1HB   MET  24          HB2       MET  24  10.397  -3.699   2.726
  173   2HB   MET  24          HB1       MET  24  10.200  -5.304   3.429
  174   1HG   MET  24          HG2       MET  24  11.128  -6.311   1.362
  175   2HG   MET  24          HG1       MET  24  11.371  -4.696   0.697
  176   1HE   MET  24          HE1       MET  24  13.439  -7.361   3.267
  177   2HE   MET  24          HE2       MET  24  14.371  -6.955   1.828
  178   3HE   MET  24          HE3       MET  24  12.676  -7.409   1.671
  179    H    MET  25           HN       MET  25   7.778  -3.176   3.343
  180    HA   MET  25           HA       MET  25   6.632  -4.896   5.294
  181   1HB   MET  25          HB2       MET  25   6.243  -2.056   4.467
  182   2HB   MET  25          HB1       MET  25   5.000  -2.786   5.485
  183   1HG   MET  25          HG2       MET  25   6.363  -2.223   7.213
  184   2HG   MET  25          HG1       MET  25   7.312  -3.624   6.719
  185   1HE   MET  25          HE1       MET  25   9.638  -3.479   6.611
  186   2HE   MET  25          HE2       MET  25   9.325  -2.431   7.992
  187   3HE   MET  25          HE3       MET  25  10.540  -1.969   6.802
  188    H    VAL  26           HN       VAL  26   5.244  -3.479   2.325
  189    HA   VAL  26           HA       VAL  26   2.626  -4.619   2.696
  190    HB   VAL  26           HB       VAL  26   4.113  -3.963   0.136
  191   1HG1  VAL  26          HG11      VAL  26   2.332  -4.762  -1.015
  192   2HG1  VAL  26          HG12      VAL  26   1.213  -3.850  -0.003
  193   3HG1  VAL  26          HG13      VAL  26   1.741  -5.457   0.494
  194   1HG2  VAL  26          HG21      VAL  26   2.211  -2.090   0.314
  195   2HG2  VAL  26          HG22      VAL  26   3.780  -1.885   1.092
  196   3HG2  VAL  26          HG23      VAL  26   2.393  -2.429   2.033
  197    H    ARG  27           HN       ARG  27   5.678  -5.907   1.636
  198    HA   ARG  27           HA       ARG  27   4.715  -8.251   0.281
  199   1HB   ARG  27          HB2       ARG  27   7.275  -7.260   1.230
  200   2HB   ARG  27          HB1       ARG  27   7.093  -8.986   1.574
  201   1HG   ARG  27          HG2       ARG  27   6.164  -8.256  -1.104
  202   2HG   ARG  27          HG1       ARG  27   7.873  -7.913  -0.858
  203   1HD   ARG  27          HD2       ARG  27   7.649 -10.372   0.313
  204   2HD   ARG  27          HD1       ARG  27   6.468 -10.504  -0.991
  205    HE   ARG  27           HE       ARG  27   8.583  -9.512  -2.350
  206   1HH1  ARG  27          HH21      ARG  27   7.769 -12.541  -1.650
  207   2HH1  ARG  27          HH22      ARG  27   9.364 -13.194  -1.485
  208   1HH2  ARG  27          HH11      ARG  27  10.913 -10.093  -1.397
  209   2HH2  ARG  27          HH12      ARG  27  11.144 -11.809  -1.341
  210    H    LYS  28           HN       LYS  28   6.067  -7.941   3.523
  211    HA   LYS  28           HA       LYS  28   5.343 -10.523   4.464
  212   1HB   LYS  28          HB2       LYS  28   5.782  -7.923   5.960
  213   2HB   LYS  28          HB1       LYS  28   5.560  -9.479   6.760
  214   1HG   LYS  28          HG2       LYS  28   7.500  -9.915   4.757
  215   2HG   LYS  28          HG1       LYS  28   7.945  -8.397   5.538
  216   1HD   LYS  28          HD2       LYS  28   7.166 -10.784   7.198
  217   2HD   LYS  28          HD1       LYS  28   8.809 -10.631   6.573
  218   1HE   LYS  28          HE2       LYS  28   8.118  -8.097   7.631
  219   2HE   LYS  28          HE1       LYS  28   7.609  -9.291   8.825
  220   1HZ   LYS  28          HZ1       LYS  28  10.001 -10.243   8.101
  221   2HZ   LYS  28          HZ2       LYS  28   9.750  -9.215   9.430
  222   3HZ   LYS  28          HZ3       LYS  28  10.270  -8.575   7.945
  223    H    THR  29           HN       THR  29   3.659  -7.444   4.574
  224    HA   THR  29           HA       THR  29   1.364  -8.278   6.075
  225    HB   THR  29           HB       THR  29   2.161  -6.069   4.261
  226    HG1  THR  29           HG1      THR  29   2.470  -5.867   6.453
  227   1HG2  THR  29          HG21      THR  29  -0.123  -6.725   3.448
  228   2HG2  THR  29          HG22      THR  29  -0.022  -5.088   4.091
  229   3HG2  THR  29          HG23      THR  29  -0.735  -6.374   5.065
  230    H    VAL  30           HN       VAL  30   2.304  -8.329   2.731
  231    HA   VAL  30           HA       VAL  30  -0.199  -9.225   1.610
  232    HB   VAL  30           HB       VAL  30   2.694  -9.176   0.743
  233   1HG1  VAL  30          HG11      VAL  30   2.090 -10.182  -1.387
  234   2HG1  VAL  30          HG12      VAL  30   0.437 -10.421  -0.820
  235   3HG1  VAL  30          HG13      VAL  30   1.766 -11.302  -0.064
  236   1HG2  VAL  30          HG21      VAL  30   0.405  -8.128  -0.874
  237   2HG2  VAL  30          HG22      VAL  30   2.048  -7.506  -0.724
  238   3HG2  VAL  30          HG23      VAL  30   0.883  -7.239   0.572
  239    H    ARG  31           HN       ARG  31   2.553 -10.649   3.160
  240    HA   ARG  31           HA       ARG  31   1.967 -13.411   2.477
  241   1HB   ARG  31          HB2       ARG  31   3.689 -12.214   4.666
  242   2HB   ARG  31          HB1       ARG  31   3.671 -13.919   4.211
  243   1HG   ARG  31          HG2       ARG  31   4.228 -13.079   1.820
  244   2HG   ARG  31          HG1       ARG  31   4.655 -11.568   2.605
  245   1HD   ARG  31          HD2       ARG  31   6.624 -13.036   2.329
  246   2HD   ARG  31          HD1       ARG  31   6.274 -12.720   4.029
  247    HE   ARG  31           HE       ARG  31   5.025 -15.160   3.006
  248   1HH1  ARG  31          HH21      ARG  31   8.089 -13.889   3.828
  249   2HH1  ARG  31          HH22      ARG  31   8.563 -15.254   4.784
  250   1HH2  ARG  31          HH11      ARG  31   5.498 -16.852   4.500
  251   2HH2  ARG  31          HH12      ARG  31   7.096 -16.931   5.165
  252    H    ASN  32           HN       ASN  32   1.129 -11.143   5.029
  253    HA   ASN  32           HA       ASN  32  -0.256 -13.342   6.497
  254   1HB   ASN  32          HB2       ASN  32  -0.408 -11.807   8.373
  255   2HB   ASN  32          HB1       ASN  32   1.255 -11.817   7.791
  256   1HD2  ASN  32          HD21      ASN  32   1.589  -9.626   8.662
  257   2HD2  ASN  32          HD22      ASN  32   0.926  -8.272   7.883
  258    H    MET  33           HN       MET  33  -0.948 -11.350   4.027
  259    HA   MET  33           HA       MET  33  -3.620 -10.523   4.992
  260   1HB   MET  33          HB2       MET  33  -1.911  -9.857   2.636
  261   2HB   MET  33          HB1       MET  33  -3.660  -9.741   2.436
  262   1HG   MET  33          HG2       MET  33  -3.449  -8.482   4.785
  263   2HG   MET  33          HG1       MET  33  -1.842  -8.132   4.167
  264   1HE   MET  33          HE1       MET  33  -5.794  -7.328   3.617
  265   2HE   MET  33          HE2       MET  33  -5.232  -8.813   2.854
  266   3HE   MET  33          HE3       MET  33  -5.709  -7.443   1.854
  267    H    GLN  34           HN       GLN  34  -5.333 -10.829   3.098
  268    HA   GLN  34           HA       GLN  34  -5.142 -13.576   1.973
  269   1HB   GLN  34          HB2       GLN  34  -7.391 -12.488   3.696
  270   2HB   GLN  34          HB1       GLN  34  -7.525 -13.955   2.724
  271   1HG   GLN  34          HG2       GLN  34  -6.765 -14.983   4.612
  272   2HG   GLN  34          HG1       GLN  34  -5.187 -14.433   4.044
  273   1HE2  GLN  34          HE21      GLN  34  -7.952 -12.794   5.709
  274   2HE2  GLN  34          HE22      GLN  34  -6.991 -12.101   6.925
  275    HA   PRO  35           HA       PRO  35  -6.875 -11.553  -1.500
  276   1HB   PRO  35          HB2       PRO  35  -8.206 -13.670  -2.672
  277   2HB   PRO  35          HB1       PRO  35  -6.453 -13.429  -2.756
  278   1HG   PRO  35          HG2       PRO  35  -8.010 -15.354  -1.075
  279   2HG   PRO  35          HG1       PRO  35  -6.371 -15.510  -1.730
  280   1HD   PRO  35          HD2       PRO  35  -6.975 -14.850   0.929
  281   2HD   PRO  35          HD1       PRO  35  -5.414 -14.545   0.132
  282    H    GLY  36           HN       GLY  36  -8.518 -10.191  -1.337
  283   1HA   GLY  36          HA2       GLY  36 -10.939  -9.765  -1.521
  284   2HA   GLY  36          HA1       GLY  36 -11.196 -11.171  -0.475
  285    H    GLU  37           HN       GLU  37  -8.480  -9.172   0.233
  286    HA   GLU  37           HA       GLU  37  -9.985  -7.959   2.520
  287   1HB   GLU  37          HB2       GLU  37  -7.375  -9.398   2.386
  288   2HB   GLU  37          HB1       GLU  37  -7.501  -8.040   3.498
  289   1HG   GLU  37          HG2       GLU  37  -9.884  -9.561   3.779
  290   2HG   GLU  37          HG1       GLU  37  -8.536 -10.698   3.812
  291    H    THR  38           HN       THR  38  -8.270  -6.130   3.463
  292    HA   THR  38           HA       THR  38  -7.263  -4.596   1.120
  293    HB   THR  38           HB       THR  38  -8.296  -2.549   2.462
  294    HG1  THR  38           HG1      THR  38  -9.503  -3.268   4.012
  295   1HG2  THR  38          HG21      THR  38  -8.872  -2.930   0.187
  296   2HG2  THR  38          HG22      THR  38 -10.407  -2.914   1.055
  297   3HG2  THR  38          HG23      THR  38  -9.684  -4.448   0.569
  298    H    LEU  39           HN       LEU  39  -5.735  -2.929   1.682
  299    HA   LEU  39           HA       LEU  39  -4.633  -2.981   4.448
  300   1HB   LEU  39          HB2       LEU  39  -3.329  -4.692   3.410
  301   2HB   LEU  39          HB1       LEU  39  -3.164  -3.768   1.919
  302    HG   LEU  39           HG       LEU  39  -2.037  -2.004   3.594
  303   1HD1  LEU  39          HD11      LEU  39  -1.950  -4.656   4.974
  304   2HD1  LEU  39          HD12      LEU  39  -2.141  -3.043   5.660
  305   3HD1  LEU  39          HD13      LEU  39  -0.559  -3.579   5.101
  306   1HD2  LEU  39          HD21      LEU  39  -0.894  -2.872   1.659
  307   2HD2  LEU  39          HD22      LEU  39  -0.773  -4.474   2.384
  308   3HD2  LEU  39          HD23      LEU  39   0.164  -3.134   3.046
  309    H    LEU  40           HN       LEU  40  -4.488  -0.809   4.948
  310    HA   LEU  40           HA       LEU  40  -4.234   1.176   2.787
  311   1HB   LEU  40          HB2       LEU  40  -5.758   1.756   4.577
  312   2HB   LEU  40          HB1       LEU  40  -4.524   1.439   5.798
  313    HG   LEU  40           HG       LEU  40  -3.131   3.258   4.711
  314   1HD1  LEU  40          HD11      LEU  40  -4.709   4.909   3.420
  315   2HD1  LEU  40          HD12      LEU  40  -5.677   3.465   3.125
  316   3HD1  LEU  40          HD13      LEU  40  -4.008   3.538   2.560
  317   1HD2  LEU  40          HD21      LEU  40  -5.566   3.516   6.318
  318   2HD2  LEU  40          HD22      LEU  40  -5.169   4.999   5.449
  319   3HD2  LEU  40          HD23      LEU  40  -3.991   4.275   6.544
  320    H    ILE  41           HN       ILE  41  -2.374   2.515   2.549
  321    HA   ILE  41           HA       ILE  41  -0.029   1.823   4.258
  322    HB   ILE  41           HB       ILE  41   0.195   1.970   1.256
  323   1HG1  ILE  41          HG12      ILE  41  -0.727  -0.328   2.985
  324   2HG1  ILE  41          HG11      ILE  41  -1.370   0.230   1.452
  325   1HG2  ILE  41          HG21      ILE  41   1.919   0.116   2.657
  326   2HG2  ILE  41          HG22      ILE  41   2.009   1.711   3.399
  327   3HG2  ILE  41          HG23      ILE  41   2.358   1.517   1.683
  328   1HD1  ILE  41          HD11      ILE  41   1.287  -0.443   0.883
  329   2HD1  ILE  41          HD12      ILE  41  -0.151  -1.362   0.440
  330   3HD1  ILE  41          HD13      ILE  41   0.703  -1.729   1.938
  331    H    ILE  42           HN       ILE  42   0.929   3.750   4.919
  332    HA   ILE  42           HA       ILE  42   0.464   6.119   3.191
  333    HB   ILE  42           HB       ILE  42   1.843   6.260   5.847
  334   1HG1  ILE  42          HG12      ILE  42  -1.072   5.703   5.333
  335   2HG1  ILE  42          HG11      ILE  42  -0.008   4.997   6.553
  336   1HG2  ILE  42          HG21      ILE  42  -0.245   8.194   5.093
  337   2HG2  ILE  42          HG22      ILE  42   1.076   8.107   3.936
  338   3HG2  ILE  42          HG23      ILE  42   1.410   8.482   5.624
  339   1HD1  ILE  42          HD11      ILE  42  -1.449   6.564   7.673
  340   2HD1  ILE  42          HD12      ILE  42  -1.093   7.814   6.480
  341   3HD1  ILE  42          HD13      ILE  42   0.162   7.278   7.597
  342    H    ALA  43           HN       ALA  43   2.407   7.501   2.905
  343    HA   ALA  43           HA       ALA  43   5.012   6.300   3.292
  344   1HB   ALA  43          HB1       ALA  43   5.446   5.437   1.228
  345   2HB   ALA  43          HB2       ALA  43   4.533   6.703   0.405
  346   3HB   ALA  43          HB3       ALA  43   3.691   5.321   1.106
  347    H    ASP  44           HN       ASP  44   6.369   8.001   3.504
  348    HA   ASP  44           HA       ASP  44   5.492  10.553   2.251
  349   1HB   ASP  44          HB2       ASP  44   6.894  11.733   3.819
  350   2HB   ASP  44          HB1       ASP  44   5.905  10.615   4.747
  351    H    ASP  45           HN       ASP  45   7.792   7.988   2.368
  352    HA   ASP  45           HA       ASP  45   9.946   9.252   0.968
  353   1HB   ASP  45          HB2       ASP  45  10.420   7.174   1.865
  354   2HB   ASP  45          HB1       ASP  45   8.910   6.495   1.293
  355    HA   PRO  46           HA       PRO  46   7.930   9.884  -2.911
  356   1HB   PRO  46          HB2       PRO  46  10.187  10.334  -4.414
  357   2HB   PRO  46          HB1       PRO  46   9.495  11.530  -3.303
  358   1HG   PRO  46          HG2       PRO  46  11.942   9.861  -2.982
  359   2HG   PRO  46          HG1       PRO  46  11.545  11.422  -2.245
  360   1HD   PRO  46          HD2       PRO  46  11.379   8.889  -0.981
  361   2HD   PRO  46          HD1       PRO  46  10.711  10.409  -0.366
  362    H    ALA  47           HN       ALA  47  10.294   7.431  -2.388
  363    HA   ALA  47           HA       ALA  47   9.877   6.184  -5.034
  364   1HB   ALA  47          HB1       ALA  47  11.298   4.681  -2.908
  365   2HB   ALA  47          HB2       ALA  47  12.034   6.210  -3.386
  366   3HB   ALA  47          HB3       ALA  47  11.752   4.952  -4.589
  367    H    THR  48           HN       THR  48   8.156   6.238  -2.190
  368    HA   THR  48           HA       THR  48   7.398   3.387  -2.229
  369    HB   THR  48           HB       THR  48   5.687   4.284  -0.476
  370    HG1  THR  48           HG1      THR  48   6.050   6.488  -1.158
  371   1HG2  THR  48          HG21      THR  48   8.369   3.464  -0.351
  372   2HG2  THR  48          HG22      THR  48   7.198   3.459   0.967
  373   3HG2  THR  48          HG23      THR  48   8.254   4.851   0.729
  374    H    THR  49           HN       THR  49   5.982   6.538  -3.043
  375    HA   THR  49           HA       THR  49   3.365   5.674  -3.700
  376    HB   THR  49           HB       THR  49   3.082   7.726  -4.729
  377    HG1  THR  49           HG1      THR  49   4.212   7.573  -6.539
  378   1HG2  THR  49          HG21      THR  49   4.146   9.275  -3.430
  379   2HG2  THR  49          HG22      THR  49   5.742   8.591  -3.740
  380   3HG2  THR  49          HG23      THR  49   4.673   7.836  -2.558
  381    H    ARG  50           HN       ARG  50   6.389   5.477  -5.481
  382    HA   ARG  50           HA       ARG  50   4.950   4.336  -7.816
  383   1HB   ARG  50          HB2       ARG  50   7.786   5.231  -7.347
  384   2HB   ARG  50          HB1       ARG  50   7.323   4.335  -8.794
  385   1HG   ARG  50          HG2       ARG  50   5.748   6.038  -9.443
  386   2HG   ARG  50          HG1       ARG  50   5.931   6.872  -7.900
  387   1HD   ARG  50          HD2       ARG  50   8.037   6.560 -10.056
  388   2HD   ARG  50          HD1       ARG  50   7.248   8.055  -9.555
  389    HE   ARG  50           HE       ARG  50   9.213   6.538  -7.899
  390   1HH1  ARG  50          HH11      ARG  50   6.908   9.041  -7.988
  391   2HH1  ARG  50          HH12      ARG  50   7.891  10.187  -7.137
  392   1HH2  ARG  50          HH21      ARG  50  10.689   8.138  -7.075
  393   2HH2  ARG  50          HH22      ARG  50  10.030   9.674  -6.620
  394    H    ASP  51           HN       ASP  51   7.357   3.327  -5.417
  395    HA   ASP  51           HA       ASP  51   7.643   0.708  -6.691
  396   1HB   ASP  51          HB2       ASP  51   8.700   1.797  -4.070
  397   2HB   ASP  51          HB1       ASP  51   9.149   0.237  -4.766
  398    H    ILE  52           HN       ILE  52   6.254   1.817  -3.578
  399    HA   ILE  52           HA       ILE  52   5.584  -0.714  -2.580
  400    HB   ILE  52           HB       ILE  52   4.524   2.028  -2.171
  401   1HG1  ILE  52          HG12      ILE  52   5.621  -0.218  -0.483
  402   2HG1  ILE  52          HG11      ILE  52   6.363   1.343  -0.832
  403   1HG2  ILE  52          HG21      ILE  52   2.437   0.692  -2.333
  404   2HG2  ILE  52          HG22      ILE  52   2.730   1.233  -0.680
  405   3HG2  ILE  52          HG23      ILE  52   3.079  -0.434  -1.136
  406   1HD1  ILE  52          HD11      ILE  52   4.537   0.643   1.292
  407   2HD1  ILE  52          HD12      ILE  52   3.844   1.924   0.296
  408   3HD1  ILE  52          HD13      ILE  52   5.425   2.147   1.046
  409    HA   PRO  53           HA       PRO  53   1.473  -0.630  -4.899
  410   1HB   PRO  53          HB2       PRO  53   1.307   1.087  -7.037
  411   2HB   PRO  53          HB1       PRO  53   0.702   1.441  -5.409
  412   1HG   PRO  53          HG2       PRO  53   3.128   2.484  -6.789
  413   2HG   PRO  53          HG1       PRO  53   2.181   3.217  -5.483
  414   1HD   PRO  53          HD2       PRO  53   4.657   1.899  -5.182
  415   2HD   PRO  53          HD1       PRO  53   3.538   2.317  -3.865
  416    H    GLY  54           HN       GLY  54   4.087   0.399  -7.124
  417   1HA   GLY  54          HA2       GLY  54   3.532  -1.391  -9.210
  418   2HA   GLY  54          HA1       GLY  54   5.179  -0.907  -8.769
  419    H    PHE  55           HN       PHE  55   4.701  -2.011  -5.982
  420    HA   PHE  55           HA       PHE  55   5.591  -4.730  -6.596
  421   1HB   PHE  55          HB2       PHE  55   6.666  -4.001  -4.684
  422   2HB   PHE  55          HB1       PHE  55   5.285  -3.051  -4.141
  423    HD1  PHE  55           HD1      PHE  55   5.596  -6.663  -5.101
  424    HD2  PHE  55           HD2      PHE  55   4.655  -3.823  -2.030
  425    HE1  PHE  55           HE1      PHE  55   4.882  -8.503  -3.616
  426    HE2  PHE  55           HE2      PHE  55   3.938  -5.678  -0.564
  427    HZ   PHE  55           HZ       PHE  55   4.036  -8.010  -1.357
  428    H    CYS  56           HN       CYS  56   2.725  -3.343  -4.888
  429    HA   CYS  56           HA       CYS  56   1.401  -5.814  -4.481
  430   1HB   CYS  56          HB2       CYS  56   0.408  -3.006  -4.922
  431   2HB   CYS  56          HB1       CYS  56  -0.714  -4.343  -4.662
  432    HG   CYS  56           HG       CYS  56   0.777  -4.788  -2.389
  433    H    THR  57           HN       THR  57   1.471  -3.742  -7.354
  434    HA   THR  57           HA       THR  57  -0.540  -5.117  -8.833
  435    HB   THR  57           HB       THR  57   1.943  -3.806  -9.969
  436    HG1  THR  57           HG1      THR  57  -0.473  -2.766  -8.956
  437   1HG2  THR  57          HG21      THR  57   0.691  -3.561 -11.958
  438   2HG2  THR  57          HG22      THR  57  -0.834  -3.901 -11.140
  439   3HG2  THR  57          HG23      THR  57   0.325  -5.201 -11.421
  440    H    PHE  58           HN       PHE  58   2.899  -5.786  -8.375
  441    HA   PHE  58           HA       PHE  58   3.086  -7.816 -10.407
  442   1HB   PHE  58          HB2       PHE  58   4.940  -6.527  -9.008
  443   2HB   PHE  58          HB1       PHE  58   4.799  -7.938  -7.961
  444    HD1  PHE  58           HD1      PHE  58   6.236  -6.635 -10.968
  445    HD2  PHE  58           HD2      PHE  58   4.918 -10.271  -9.096
  446    HE1  PHE  58           HE1      PHE  58   7.615  -7.951 -12.554
  447    HE2  PHE  58           HE2      PHE  58   6.297 -11.586 -10.682
  448    HZ   PHE  58           HZ       PHE  58   7.646 -10.427 -12.411
  449    H    MET  59           HN       MET  59   2.394  -7.983  -6.906
  450    HA   MET  59           HA       MET  59   2.277 -10.879  -6.907
  451   1HB   MET  59          HB2       MET  59   1.161  -8.951  -4.914
  452   2HB   MET  59          HB1       MET  59   1.415 -10.668  -4.649
  453   1HG   MET  59          HG2       MET  59   3.530  -8.569  -5.174
  454   2HG   MET  59          HG1       MET  59   3.290  -9.487  -3.688
  455   1HE   MET  59          HE1       MET  59   3.300 -12.134  -3.648
  456   2HE   MET  59          HE2       MET  59   4.744 -11.289  -3.098
  457   3HE   MET  59          HE3       MET  59   4.904 -12.737  -4.089
  458    H    GLU  60           HN       GLU  60   0.255  -8.781  -8.377
  459    HA   GLU  60           HA       GLU  60  -1.852  -9.225  -9.357
  460   1HB   GLU  60          HB2       GLU  60  -1.071 -11.729  -8.704
  461   2HB   GLU  60          HB1       GLU  60  -2.441 -11.551  -7.607
  462   1HG   GLU  60          HG2       GLU  60  -3.617 -12.253  -9.445
  463   2HG   GLU  60          HG1       GLU  60  -3.541 -10.540  -9.858
  464    H    HIS  61           HN       HIS  61  -1.291  -7.745  -6.816
  465    HA   HIS  61           HA       HIS  61  -3.824  -8.077  -5.333
  466   1HB   HIS  61          HB2       HIS  61  -1.531  -6.156  -4.823
  467   2HB   HIS  61          HB1       HIS  61  -2.824  -6.588  -3.711
  468    HD1  HIS  61           HD1      HIS  61  -2.273  -9.675  -5.127
  469    HD2  HIS  61           HD2      HIS  61   0.064  -7.373  -2.556
  470    HE1  HIS  61           HE1      HIS  61  -0.653 -11.267  -4.017
  471    H    GLU  62           HN       GLU  62  -4.838  -5.769  -4.761
  472    HA   GLU  62           HA       GLU  62  -4.819  -4.199  -7.309
  473   1HB   GLU  62          HB2       GLU  62  -7.039  -5.231  -5.637
  474   2HB   GLU  62          HB1       GLU  62  -7.259  -3.651  -6.370
  475   1HG   GLU  62          HG2       GLU  62  -6.330  -4.923  -8.522
  476   2HG   GLU  62          HG1       GLU  62  -6.968  -6.331  -7.672
  477    H    LEU  63           HN       LEU  63  -4.857  -2.017  -7.163
  478    HA   LEU  63           HA       LEU  63  -4.239  -0.798  -4.538
  479   1HB   LEU  63          HB2       LEU  63  -2.891   0.218  -6.166
  480   2HB   LEU  63          HB1       LEU  63  -4.118   0.064  -7.420
  481    HG   LEU  63           HG       LEU  63  -5.460   1.824  -6.135
  482   1HD1  LEU  63          HD11      LEU  63  -3.260   3.135  -4.921
  483   2HD1  LEU  63          HD12      LEU  63  -3.237   1.471  -4.338
  484   3HD1  LEU  63          HD13      LEU  63  -4.681   2.462  -4.123
  485   1HD2  LEU  63          HD21      LEU  63  -4.593   3.318  -7.595
  486   2HD2  LEU  63          HD22      LEU  63  -3.468   2.039  -8.053
  487   3HD2  LEU  63          HD23      LEU  63  -2.997   3.237  -6.847
  488    H    VAL  64           HN       VAL  64  -6.192  -0.740  -3.365
  489    HA   VAL  64           HA       VAL  64  -8.690  -0.408  -4.691
  490    HB   VAL  64           HB       VAL  64  -7.815  -0.322  -1.805
  491   1HG1  VAL  64          HG11      VAL  64 -10.534  -0.172  -3.090
  492   2HG1  VAL  64          HG12      VAL  64  -9.839   0.933  -1.904
  493   3HG1  VAL  64          HG13      VAL  64 -10.297  -0.704  -1.427
  494   1HG2  VAL  64          HG21      VAL  64  -8.065  -2.398  -3.620
  495   2HG2  VAL  64          HG22      VAL  64  -9.615  -2.417  -2.778
  496   3HG2  VAL  64          HG23      VAL  64  -8.113  -2.562  -1.866
  497    H    ALA  65           HN       ALA  65  -6.737   1.915  -2.690
  498    HA   ALA  65           HA       ALA  65  -8.071   4.058  -4.275
  499   1HB   ALA  65          HB1       ALA  65  -8.142   5.135  -1.722
  500   2HB   ALA  65          HB2       ALA  65  -8.660   3.469  -1.471
  501   3HB   ALA  65          HB3       ALA  65  -9.528   4.499  -2.608
  502    H    LYS  66           HN       LYS  66  -6.524   5.648  -4.791
  503    HA   LYS  66           HA       LYS  66  -3.981   5.468  -3.307
  504   1HB   LYS  66          HB2       LYS  66  -4.390   7.239  -5.658
  505   2HB   LYS  66          HB1       LYS  66  -2.952   6.341  -5.176
  506   1HG   LYS  66          HG2       LYS  66  -3.649   4.994  -6.843
  507   2HG   LYS  66          HG1       LYS  66  -4.618   4.294  -5.577
  508   1HD   LYS  66          HD2       LYS  66  -6.406   4.722  -6.889
  509   2HD   LYS  66          HD1       LYS  66  -6.157   6.421  -6.485
  510   1HE   LYS  66          HE2       LYS  66  -5.213   6.907  -8.517
  511   2HE   LYS  66          HE1       LYS  66  -4.451   5.323  -8.658
  512   1HZ   LYS  66          HZ1       LYS  66  -6.247   5.622 -10.261
  513   2HZ   LYS  66          HZ2       LYS  66  -7.351   5.867  -8.994
  514   3HZ   LYS  66          HZ3       LYS  66  -6.588   4.360  -9.179
  515    H    GLU  67           HN       GLU  67  -2.891   7.439  -2.768
  516    HA   GLU  67           HA       GLU  67  -4.635   9.788  -2.324
  517   1HB   GLU  67          HB2       GLU  67  -3.286   8.122  -0.312
  518   2HB   GLU  67          HB1       GLU  67  -3.263   9.841  -0.046
  519   1HG   GLU  67          HG2       GLU  67  -5.879   8.769  -0.869
  520   2HG   GLU  67          HG1       GLU  67  -5.319   8.195   0.702
  521    H    THR  68           HN       THR  68  -3.590  11.343  -3.460
  522    HA   THR  68           HA       THR  68  -0.665  11.723  -2.979
  523    HB   THR  68           HB       THR  68  -0.241  12.075  -5.321
  524    HG1  THR  68           HG1      THR  68  -2.937  11.513  -5.904
  525   1HG2  THR  68          HG21      THR  68  -0.200   9.738  -4.748
  526   2HG2  THR  68          HG22      THR  68  -1.010   9.877  -6.309
  527   3HG2  THR  68          HG23      THR  68  -1.958   9.629  -4.842
  528    H    ASP  69           HN       ASP  69  -3.100  12.990  -1.925
  529    HA   ASP  69           HA       ASP  69  -3.384  15.556  -3.288
  530   1HB   ASP  69          HB2       ASP  69  -4.258  14.735  -0.513
  531   2HB   ASP  69          HB1       ASP  69  -4.825  16.151  -1.399
  532    H    GLY  70           HN       GLY  70  -0.884  14.388  -1.677
  533   1HA   GLY  70          HA2       GLY  70   0.902  16.195  -1.419
  534   2HA   GLY  70          HA1       GLY  70  -0.215  16.874  -0.265
  535    H    LEU  71           HN       LEU  71   2.423  15.233  -0.408
  536    HA   LEU  71           HA       LEU  71   2.454  12.909   0.957
  537   1HB   LEU  71          HB2       LEU  71   4.205  15.316   1.416
  538   2HB   LEU  71          HB1       LEU  71   4.481  13.794   2.238
  539    HG   LEU  71           HG       LEU  71   4.093  13.674  -0.680
  540   1HD1  LEU  71          HD11      LEU  71   6.790  13.980  -0.558
  541   2HD1  LEU  71          HD12      LEU  71   6.281  15.140   0.670
  542   3HD1  LEU  71          HD13      LEU  71   5.686  15.289  -0.983
  543   1HD2  LEU  71          HD21      LEU  71   6.081  12.036  -0.235
  544   2HD2  LEU  71          HD22      LEU  71   4.467  11.585   0.313
  545   3HD2  LEU  71          HD23      LEU  71   5.635  12.240   1.460
  546    HA   PRO  72           HA       PRO  72   3.413  11.899   2.362
  547   1HB   PRO  72          HB2       PRO  72   2.503   9.884   3.960
  548   2HB   PRO  72          HB1       PRO  72   3.751  11.032   4.484
  549   1HG   PRO  72          HG2       PRO  72   0.875  10.907   5.230
  550   2HG   PRO  72          HG1       PRO  72   2.243  11.504   6.188
  551   1HD   PRO  72          HD2       PRO  72   0.376  13.112   4.801
  552   2HD   PRO  72          HD1       PRO  72   1.955  13.660   5.407
  553    H    TYR  73           HN       TYR  73   2.812  10.252   0.924
  554    HA   TYR  73           HA       TYR  73   0.180  10.319  -0.212
  555   1HB   TYR  73          HB2       TYR  73   2.066   8.079  -0.651
  556   2HB   TYR  73          HB1       TYR  73   0.963   8.820  -1.800
  557    HD1  TYR  73           HD1      TYR  73   4.216   8.714  -0.465
  558    HD2  TYR  73           HD2      TYR  73   1.472  11.246  -2.531
  559    HE1  TYR  73           HE1      TYR  73   6.121  10.058  -1.284
  560    HE2  TYR  73           HE2      TYR  73   3.341  12.649  -3.335
  561    HH   TYR  73           HH       TYR  73   6.199  11.877  -3.663
  562    H    ARG  74           HN       ARG  74  -1.178   8.320  -0.503
  563    HA   ARG  74           HA       ARG  74  -0.705   6.199   1.433
  564   1HB   ARG  74          HB2       ARG  74  -3.031   8.080   1.562
  565   2HB   ARG  74          HB1       ARG  74  -3.229   6.387   2.028
  566   1HG   ARG  74          HG2       ARG  74  -1.871   6.554   3.827
  567   2HG   ARG  74          HG1       ARG  74  -0.868   7.782   3.098
  568   1HD   ARG  74          HD2       ARG  74  -2.050   9.433   4.088
  569   2HD   ARG  74          HD1       ARG  74  -3.564   8.769   3.474
  570    HE   ARG  74           HE       ARG  74  -2.748   7.140   5.644
  571   1HH1  ARG  74          HH11      ARG  74  -3.230  10.502   5.173
  572   2HH1  ARG  74          HH12      ARG  74  -4.142  10.720   6.629
  573   1HH2  ARG  74          HH21      ARG  74  -4.142   7.350   7.448
  574   2HH2  ARG  74          HH22      ARG  74  -4.658   8.935   7.917
  575    H    TYR  75           HN       TYR  75  -1.877   4.316   0.862
  576    HA   TYR  75           HA       TYR  75  -3.411   4.411  -1.622
  577   1HB   TYR  75          HB2       TYR  75  -1.206   2.451  -1.639
  578   2HB   TYR  75          HB1       TYR  75  -1.994   3.269  -2.986
  579    HD1  TYR  75           HD1      TYR  75  -1.517   5.836  -3.229
  580    HD2  TYR  75           HD2      TYR  75   0.766   3.173  -0.835
  581    HE1  TYR  75           HE1      TYR  75   0.400   7.404  -3.359
  582    HE2  TYR  75           HE2      TYR  75   2.713   4.728  -0.925
  583    HH   TYR  75           HH       TYR  75   3.310   6.883  -1.451
  584    H    LEU  76           HN       LEU  76  -5.076   2.950  -1.307
  585    HA   LEU  76           HA       LEU  76  -4.711   1.018   0.789
  586   1HB   LEU  76          HB2       LEU  76  -6.898   2.116   0.624
  587   2HB   LEU  76          HB1       LEU  76  -7.097   1.492  -0.996
  588    HG   LEU  76           HG       LEU  76  -6.703  -0.817   0.023
  589   1HD1  LEU  76          HD11      LEU  76  -5.913   0.369   2.212
  590   2HD1  LEU  76          HD12      LEU  76  -6.870  -1.108   2.326
  591   3HD1  LEU  76          HD13      LEU  76  -7.638   0.462   2.566
  592   1HD2  LEU  76          HD21      LEU  76  -9.189  -0.082   1.210
  593   2HD2  LEU  76          HD22      LEU  76  -8.886  -0.949  -0.295
  594   3HD2  LEU  76          HD23      LEU  76  -8.963   0.815  -0.290
  595    H    ILE  77           HN       ILE  77  -4.888  -1.354   0.212
  596    HA   ILE  77           HA       ILE  77  -4.876  -1.860  -2.686
  597    HB   ILE  77           HB       ILE  77  -2.758  -2.941  -0.826
  598   1HG1  ILE  77          HG12      ILE  77  -2.852  -0.501  -2.588
  599   2HG1  ILE  77          HG11      ILE  77  -2.289  -0.636  -0.925
  600   1HG2  ILE  77          HG21      ILE  77  -2.413  -2.784  -3.780
  601   2HG2  ILE  77          HG22      ILE  77  -3.581  -3.967  -3.193
  602   3HG2  ILE  77          HG23      ILE  77  -1.906  -4.044  -2.656
  603   1HD1  ILE  77          HD11      ILE  77  -0.312  -1.835  -1.613
  604   2HD1  ILE  77          HD12      ILE  77  -0.438  -0.390  -2.616
  605   3HD1  ILE  77          HD13      ILE  77  -0.902  -1.959  -3.271
  606    H    ARG  78           HN       ARG  78  -6.608  -3.243  -2.833
  607    HA   ARG  78           HA       ARG  78  -7.292  -5.054  -0.668
  608   1HB   ARG  78          HB2       ARG  78  -9.089  -4.364  -2.077
  609   2HB   ARG  78          HB1       ARG  78  -8.205  -4.799  -3.539
  610   1HG   ARG  78          HG2       ARG  78  -8.263  -7.198  -2.772
  611   2HG   ARG  78          HG1       ARG  78  -9.326  -6.694  -1.457
  612   1HD   ARG  78          HD2       ARG  78 -11.031  -5.991  -2.980
  613   2HD   ARG  78          HD1       ARG  78  -9.940  -6.109  -4.361
  614    HE   ARG  78           HE       ARG  78  -9.990  -8.685  -3.356
  615   1HH1  ARG  78          HH11      ARG  78 -12.098  -6.404  -4.806
  616   2HH1  ARG  78          HH12      ARG  78 -13.364  -7.548  -5.100
  617   1HH2  ARG  78          HH21      ARG  78 -11.731 -10.164  -3.515
  618   2HH2  ARG  78          HH22      ARG  78 -13.157  -9.676  -4.369
  619    H    LYS  79           HN       LYS  79  -5.909  -6.712  -0.182
  620    HA   LYS  79           HA       LYS  79  -4.017  -7.905  -1.962
  621   1HB   LYS  79          HB2       LYS  79  -4.339  -8.051   0.667
  622   2HB   LYS  79          HB1       LYS  79  -5.212  -9.524   0.247
  623   1HG   LYS  79          HG2       LYS  79  -2.787  -9.393  -1.291
  624   2HG   LYS  79          HG1       LYS  79  -2.400  -9.163   0.415
  625   1HD   LYS  79          HD2       LYS  79  -3.584 -11.210   1.005
  626   2HD   LYS  79          HD1       LYS  79  -4.117 -11.419  -0.664
  627   1HE   LYS  79          HE2       LYS  79  -1.886 -11.817  -1.425
  628   2HE   LYS  79          HE1       LYS  79  -1.195 -11.274   0.104
  629   1HZ   LYS  79          HZ1       LYS  79  -1.846 -13.183   1.180
  630   2HZ   LYS  79          HZ2       LYS  79  -1.445 -13.788  -0.357
  631   3HZ   LYS  79          HZ3       LYS  79  -3.072 -13.540   0.063
  632    H    GLY  80           HN       GLY  80  -4.234  -9.533  -3.439
  633   1HA   GLY  80          HA2       GLY  80  -6.385 -11.462  -3.384
  634   2HA   GLY  80          HA1       GLY  80  -6.679 -10.217  -4.599
  635    H    GLY  81           HN       GLY  81  -6.448 -12.343  -5.935
  636   1HA   GLY  81          HA2       GLY  81  -4.483 -12.339  -7.753
  637   2HA   GLY  81          HA1       GLY  81  -3.625 -13.096  -6.410
  Start of MODEL    8
    1   1H    MET   1          HT1       MET   1 -20.292   8.827  -1.690
    2   2H    MET   1          HT2       MET   1 -19.467  10.305  -1.839
    3   3H    MET   1          HT3       MET   1 -21.106  10.285  -1.393
    4    HA   MET   1           HA       MET   1 -19.026  10.440   0.326
    5   1HB   MET   1          HB2       MET   1 -21.468  10.948   0.691
    6   2HB   MET   1          HB1       MET   1 -21.738   9.218   0.912
    7   1HG   MET   1          HG2       MET   1 -20.779   9.203   2.979
    8   2HG   MET   1          HG1       MET   1 -19.520  10.344   2.509
    9   1HE   MET   1          HE1       MET   1 -21.435  11.726   5.652
   10   2HE   MET   1          HE2       MET   1 -20.296  10.499   5.104
   11   3HE   MET   1          HE3       MET   1 -22.015  10.122   5.180
   12    H    THR   2           HN       THR   2 -18.236   8.239  -1.242
   13    HA   THR   2           HA       THR   2 -18.490   5.930   0.635
   14    HB   THR   2           HB       THR   2 -17.415   5.911  -2.199
   15    HG1  THR   2           HG1      THR   2 -20.003   5.288  -1.221
   16   1HG2  THR   2          HG21      THR   2 -17.386   4.012  -0.107
   17   2HG2  THR   2          HG22      THR   2 -16.975   3.743  -1.801
   18   3HG2  THR   2          HG23      THR   2 -18.625   3.474  -1.240
   19    H    ASP   3           HN       ASP   3 -16.743   5.458   1.879
   20    HA   ASP   3           HA       ASP   3 -14.161   6.782   1.210
   21   1HB   ASP   3          HB2       ASP   3 -14.980   5.409   3.788
   22   2HB   ASP   3          HB1       ASP   3 -13.557   6.422   3.535
   23    H    LEU   4           HN       LEU   4 -12.991   5.435  -0.107
   24    HA   LEU   4           HA       LEU   4 -13.160   2.543   0.061
   25   1HB   LEU   4          HB2       LEU   4 -11.350   4.466  -1.403
   26   2HB   LEU   4          HB1       LEU   4 -11.065   2.726  -1.445
   27    HG   LEU   4           HG       LEU   4 -13.775   3.884  -2.094
   28   1HD1  LEU   4          HD11      LEU   4 -12.929   3.466  -4.533
   29   2HD1  LEU   4          HD12      LEU   4 -11.324   3.652  -3.826
   30   3HD1  LEU   4          HD13      LEU   4 -12.490   4.971  -3.728
   31   1HD2  LEU   4          HD21      LEU   4 -13.911   1.738  -3.391
   32   2HD2  LEU   4          HD22      LEU   4 -13.695   1.490  -1.658
   33   3HD2  LEU   4          HD23      LEU   4 -12.325   1.300  -2.753
   34    H    PHE   5           HN       PHE   5 -11.214   4.996   1.582
   35    HA   PHE   5           HA       PHE   5  -9.186   3.064   2.489
   36   1HB   PHE   5          HB2       PHE   5  -9.583   6.018   2.674
   37   2HB   PHE   5          HB1       PHE   5  -8.594   5.246   3.912
   38    HD1  PHE   5           HD1      PHE   5  -6.647   6.555   2.990
   39    HD2  PHE   5           HD2      PHE   5  -8.720   3.606   0.671
   40    HE1  PHE   5           HE1      PHE   5  -4.760   6.431   1.398
   41    HE2  PHE   5           HE2      PHE   5  -6.796   3.504  -0.889
   42    HZ   PHE   5           HZ       PHE   5  -4.819   4.968  -0.555
   43    H    SER   6           HN       SER   6 -12.210   3.159   3.293
   44    HA   SER   6           HA       SER   6 -12.592   3.796   5.974
   45   1HB   SER   6          HB2       SER   6 -13.550   1.278   4.579
   46   2HB   SER   6          HB1       SER   6 -14.231   1.953   6.057
   47    HG   SER   6           HG       SER   6 -15.261   2.521   3.968
   48    H    SER   7           HN       SER   7 -12.762   1.998   7.800
   49    HA   SER   7           HA       SER   7 -10.214   1.289   8.653
   50   1HB   SER   7          HB2       SER   7 -11.289  -0.361  10.125
   51   2HB   SER   7          HB1       SER   7 -12.244   1.118  10.064
   52    HG   SER   7           HG       SER   7 -13.285  -1.083   9.728
   53    HA   PRO   8           HA       PRO   8  -9.483  -1.767   5.406
   54   1HB   PRO   8          HB2       PRO   8  -6.750  -1.650   5.639
   55   2HB   PRO   8          HB1       PRO   8  -7.702  -0.501   4.684
   56   1HG   PRO   8          HG2       PRO   8  -6.408  -0.108   7.346
   57   2HG   PRO   8          HG1       PRO   8  -6.771   1.083   6.088
   58   1HD   PRO   8          HD2       PRO   8  -8.266   0.681   8.442
   59   2HD   PRO   8          HD1       PRO   8  -8.804   1.586   7.013
   60    H    ASP   9           HN       ASP   9  -8.155  -3.870   5.483
   61    HA   ASP   9           HA       ASP   9  -8.579  -5.146   8.089
   62   1HB   ASP   9          HB2       ASP   9  -7.497  -6.185   5.452
   63   2HB   ASP   9          HB1       ASP   9  -7.735  -7.189   6.883
   64    H    HIS  10           HN       HIS  10  -5.955  -3.746   6.303
   65    HA   HIS  10           HA       HIS  10  -4.128  -4.365   8.561
   66   1HB   HIS  10          HB2       HIS  10  -3.753  -5.129   5.674
   67   2HB   HIS  10          HB1       HIS  10  -2.356  -4.779   6.685
   68    HD1  HIS  10           HD1      HIS  10  -1.474  -6.758   7.928
   69    HD2  HIS  10           HD2      HIS  10  -5.534  -7.161   7.067
   70    HE1  HIS  10           HE1      HIS  10  -2.162  -9.044   8.776
   71    H    THR  11           HN       THR  11  -1.989  -3.030   8.163
   72    HA   THR  11           HA       THR  11  -2.498  -0.577   6.580
   73    HB   THR  11           HB       THR  11  -1.746  -0.541   9.503
   74    HG1  THR  11           HG1      THR  11  -3.794  -0.056   9.899
   75   1HG2  THR  11          HG21      THR  11  -2.363   1.972   9.051
   76   2HG2  THR  11          HG22      THR  11  -2.028   1.553   7.371
   77   3HG2  THR  11          HG23      THR  11  -0.768   1.374   8.593
   78    H    LEU  12           HN       LEU  12  -0.497   0.720   6.368
   79    HA   LEU  12           HA       LEU  12   2.028  -0.645   7.116
   80   1HB   LEU  12          HB2       LEU  12   1.690  -1.625   4.958
   81   2HB   LEU  12          HB1       LEU  12   1.146  -0.094   4.281
   82    HG   LEU  12           HG       LEU  12   3.361   0.834   4.266
   83   1HD1  LEU  12          HD11      LEU  12   4.184   0.396   6.430
   84   2HD1  LEU  12          HD12      LEU  12   5.230  -0.582   5.407
   85   3HD1  LEU  12          HD13      LEU  12   3.907  -1.339   6.295
   86   1HD2  LEU  12          HD21      LEU  12   3.312  -0.733   2.502
   87   2HD2  LEU  12          HD22      LEU  12   3.346  -2.114   3.598
   88   3HD2  LEU  12          HD23      LEU  12   4.793  -1.132   3.368
   89    H    ASP  13           HN       ASP  13   3.047   1.054   8.142
   90    HA   ASP  13           HA       ASP  13   2.643   3.806   7.181
   91   1HB   ASP  13          HB2       ASP  13   2.979   3.318   9.616
   92   2HB   ASP  13          HB1       ASP  13   4.604   2.736   9.247
   93    H    ALA  14           HN       ALA  14   4.203   4.952   5.888
   94    HA   ALA  14           HA       ALA  14   6.733   3.514   5.356
   95   1HB   ALA  14          HB1       ALA  14   6.328   2.920   3.236
   96   2HB   ALA  14          HB2       ALA  14   5.503   4.435   2.869
   97   3HB   ALA  14          HB3       ALA  14   4.629   3.118   3.656
   98    H    LEU  15           HN       LEU  15   5.578   5.954   6.539
   99    HA   LEU  15           HA       LEU  15   6.744   8.190   5.096
  100   1HB   LEU  15          HB2       LEU  15   5.941   8.309   7.962
  101   2HB   LEU  15          HB1       LEU  15   5.741   9.483   6.673
  102    HG   LEU  15           HG       LEU  15   4.154   6.945   7.046
  103   1HD1  LEU  15          HD11      LEU  15   3.772   9.430   8.155
  104   2HD1  LEU  15          HD12      LEU  15   2.499   8.243   7.873
  105   3HD1  LEU  15          HD13      LEU  15   2.790   9.520   6.692
  106   1HD2  LEU  15          HD21      LEU  15   3.785   8.999   4.867
  107   2HD2  LEU  15          HD22      LEU  15   3.100   7.382   4.971
  108   3HD2  LEU  15          HD23      LEU  15   4.814   7.589   4.640
  109    H    GLY  16           HN       GLY  16   8.870   8.050   5.031
  110   1HA   GLY  16          HA2       GLY  16  11.021   8.470   6.116
  111   2HA   GLY  16          HA1       GLY  16  10.376   7.708   7.578
  112    H    LEU  17           HN       LEU  17   9.181   5.922   5.121
  113    HA   LEU  17           HA       LEU  17  11.270   3.847   5.375
  114   1HB   LEU  17          HB2       LEU  17   8.448   3.791   4.260
  115   2HB   LEU  17          HB1       LEU  17   9.539   2.410   4.271
  116    HG   LEU  17           HG       LEU  17   8.096   3.710   6.531
  117   1HD1  LEU  17          HD11      LEU  17   8.959   0.864   6.453
  118   2HD1  LEU  17          HD12      LEU  17   7.843   1.374   5.186
  119   3HD1  LEU  17          HD13      LEU  17   7.391   1.546   6.882
  120   1HD2  LEU  17          HD21      LEU  17  10.302   3.994   7.351
  121   2HD2  LEU  17          HD22      LEU  17  10.831   2.452   6.676
  122   3HD2  LEU  17          HD23      LEU  17   9.736   2.481   8.059
  123    H    ARG  18           HN       ARG  18  12.148   2.950   3.446
  124    HA   ARG  18           HA       ARG  18  11.343   4.334   0.960
  125   1HB   ARG  18          HB2       ARG  18  13.841   4.633   0.425
  126   2HB   ARG  18          HB1       ARG  18  13.073   5.746   1.556
  127   1HG   ARG  18          HG2       ARG  18  13.922   3.704   3.215
  128   2HG   ARG  18          HG1       ARG  18  15.222   3.803   2.029
  129   1HD   ARG  18          HD2       ARG  18  15.105   6.363   2.424
  130   2HD   ARG  18          HD1       ARG  18  14.210   5.949   3.886
  131    HE   ARG  18           HE       ARG  18  17.048   5.229   3.348
  132   1HH1  ARG  18          HH11      ARG  18  15.400   3.259   5.021
  133   2HH1  ARG  18          HH12      ARG  18  15.772   3.803   6.624
  134   1HH2  ARG  18          HH21      ARG  18  17.057   6.848   5.574
  135   2HH2  ARG  18          HH22      ARG  18  16.710   5.837   6.936
  136    H    CYS  19           HN       CYS  19  11.839   3.136  -0.901
  137    HA   CYS  19           HA       CYS  19  11.621   0.358  -0.733
  138   1HB   CYS  19          HB2       CYS  19  11.309   1.362  -2.854
  139   2HB   CYS  19          HB1       CYS  19  12.919   2.075  -2.851
  140    HG   CYS  19           HG       CYS  19  13.415   0.005  -4.186
  141    HA   PRO  20           HA       PRO  20  12.039  -1.447  -1.364
  142   1HB   PRO  20          HB2       PRO  20  12.830  -3.846  -0.326
  143   2HB   PRO  20          HB1       PRO  20  13.437  -3.225  -1.870
  144   1HG   PRO  20          HG2       PRO  20  14.832  -3.409   0.752
  145   2HG   PRO  20          HG1       PRO  20  15.517  -3.360  -0.878
  146   1HD   PRO  20          HD2       PRO  20  15.352  -1.198   0.977
  147   2HD   PRO  20          HD1       PRO  20  15.875  -1.113  -0.718
  148    H    GLU  21           HN       GLU  21  13.008  -0.467   1.656
  149    HA   GLU  21           HA       GLU  21  11.837  -2.158   3.520
  150   1HB   GLU  21          HB2       GLU  21  12.319   0.754   3.507
  151   2HB   GLU  21          HB1       GLU  21  11.440   0.051   4.856
  152   1HG   GLU  21          HG2       GLU  21  13.758  -1.558   4.202
  153   2HG   GLU  21          HG1       GLU  21  14.236   0.113   4.506
  154    HA   PRO  22           HA       PRO  22   7.667   0.114   3.330
  155   1HB   PRO  22          HB2       PRO  22   7.155   1.405   0.949
  156   2HB   PRO  22          HB1       PRO  22   7.805   2.204   2.380
  157   1HG   PRO  22          HG2       PRO  22   9.214   1.385  -0.115
  158   2HG   PRO  22          HG1       PRO  22   9.574   2.726   0.988
  159   1HD   PRO  22          HD2       PRO  22  10.956   0.308   0.920
  160   2HD   PRO  22          HD1       PRO  22  10.959   1.420   2.297
  161    H    VAL  23           HN       VAL  23   8.503  -0.443  -0.060
  162    HA   VAL  23           HA       VAL  23   6.346  -2.078  -0.792
  163    HB   VAL  23           HB       VAL  23   9.228  -2.564  -1.570
  164   1HG1  VAL  23          HG11      VAL  23   7.322  -2.726  -3.709
  165   2HG1  VAL  23          HG12      VAL  23   6.740  -3.703  -2.362
  166   3HG1  VAL  23          HG13      VAL  23   8.335  -4.010  -3.048
  167   1HG2  VAL  23          HG21      VAL  23   7.519  -0.230  -1.988
  168   2HG2  VAL  23          HG22      VAL  23   8.052  -0.938  -3.513
  169   3HG2  VAL  23          HG23      VAL  23   9.241  -0.426  -2.316
  170    H    MET  24           HN       MET  24   9.087  -2.731   1.289
  171    HA   MET  24           HA       MET  24   8.868  -5.627   1.213
  172   1HB   MET  24          HB2       MET  24  10.290  -3.615   2.909
  173   2HB   MET  24          HB1       MET  24  10.114  -5.254   3.532
  174   1HG   MET  24          HG2       MET  24  11.126  -4.755   0.735
  175   2HG   MET  24          HG1       MET  24  12.220  -4.733   2.118
  176   1HE   MET  24          HE1       MET  24  13.009  -6.158   3.262
  177   2HE   MET  24          HE2       MET  24  13.588  -7.518   2.305
  178   3HE   MET  24          HE3       MET  24  12.477  -7.801   3.644
  179    H    MET  25           HN       MET  25   7.645  -3.110   3.417
  180    HA   MET  25           HA       MET  25   6.485  -4.865   5.330
  181   1HB   MET  25          HB2       MET  25   5.981  -2.032   4.486
  182   2HB   MET  25          HB1       MET  25   4.819  -2.820   5.554
  183   1HG   MET  25          HG2       MET  25   7.394  -3.453   6.558
  184   2HG   MET  25          HG1       MET  25   7.400  -1.724   6.209
  185   1HE   MET  25          HE1       MET  25   7.530  -3.690   8.729
  186   2HE   MET  25          HE2       MET  25   6.533  -3.049  10.033
  187   3HE   MET  25          HE3       MET  25   7.733  -2.016   9.261
  188    H    VAL  26           HN       VAL  26   5.148  -3.478   2.330
  189    HA   VAL  26           HA       VAL  26   2.538  -4.638   2.652
  190    HB   VAL  26           HB       VAL  26   4.071  -3.906   0.143
  191   1HG1  VAL  26          HG11      VAL  26   2.349  -4.708  -1.098
  192   2HG1  VAL  26          HG12      VAL  26   1.164  -3.922  -0.060
  193   3HG1  VAL  26          HG13      VAL  26   1.777  -5.520   0.356
  194   1HG2  VAL  26          HG21      VAL  26   2.336  -2.485   2.080
  195   2HG2  VAL  26          HG22      VAL  26   2.003  -2.157   0.379
  196   3HG2  VAL  26          HG23      VAL  26   3.610  -1.850   1.039
  197    H    ARG  27           HN       ARG  27   5.597  -5.911   1.487
  198    HA   ARG  27           HA       ARG  27   4.541  -8.248   0.188
  199   1HB   ARG  27          HB2       ARG  27   7.208  -7.547   1.370
  200   2HB   ARG  27          HB1       ARG  27   6.871  -9.216   0.891
  201   1HG   ARG  27          HG2       ARG  27   6.222  -7.007  -1.020
  202   2HG   ARG  27          HG1       ARG  27   7.901  -7.507  -0.844
  203   1HD   ARG  27          HD2       ARG  27   6.900  -9.931  -1.088
  204   2HD   ARG  27          HD1       ARG  27   5.557  -9.085  -1.855
  205    HE   ARG  27           HE       ARG  27   7.022  -8.459  -3.650
  206   1HH1  ARG  27          HH11      ARG  27   8.105 -11.097  -1.938
  207   2HH1  ARG  27          HH12      ARG  27   9.756 -10.993  -2.450
  208   1HH2  ARG  27          HH21      ARG  27   9.370  -7.890  -3.950
  209   2HH2  ARG  27          HH22      ARG  27  10.474  -9.176  -3.589
  210    H    LYS  28           HN       LYS  28   5.927  -7.852   3.421
  211    HA   LYS  28           HA       LYS  28   5.350 -10.490   4.350
  212   1HB   LYS  28          HB2       LYS  28   6.033  -7.881   5.630
  213   2HB   LYS  28          HB1       LYS  28   5.317  -9.121   6.660
  214   1HG   LYS  28          HG2       LYS  28   7.359 -10.244   4.920
  215   2HG   LYS  28          HG1       LYS  28   8.008  -8.938   5.911
  216   1HD   LYS  28          HD2       LYS  28   6.720 -10.116   7.860
  217   2HD   LYS  28          HD1       LYS  28   6.738 -11.519   6.789
  218   1HE   LYS  28          HE2       LYS  28   8.814 -11.945   7.565
  219   2HE   LYS  28          HE1       LYS  28   9.345 -10.530   6.658
  220   1HZ   LYS  28          HZ1       LYS  28   8.422 -10.585   9.479
  221   2HZ   LYS  28          HZ2       LYS  28   8.782  -9.168   8.613
  222   3HZ   LYS  28          HZ3       LYS  28  10.003 -10.303   8.936
  223    H    THR  29           HN       THR  29   3.564  -7.476   4.505
  224    HA   THR  29           HA       THR  29   1.301  -8.421   5.997
  225    HB   THR  29           HB       THR  29   2.047  -6.137   4.259
  226    HG1  THR  29           HG1      THR  29   0.542  -5.900   6.578
  227   1HG2  THR  29          HG21      THR  29  -0.846  -6.500   5.048
  228   2HG2  THR  29          HG22      THR  29  -0.232  -6.833   3.427
  229   3HG2  THR  29          HG23      THR  29  -0.144  -5.203   4.082
  230    H    VAL  30           HN       VAL  30   2.249  -8.358   2.656
  231    HA   VAL  30           HA       VAL  30  -0.241  -9.268   1.512
  232    HB   VAL  30           HB       VAL  30   2.642  -9.129   0.634
  233   1HG1  VAL  30          HG11      VAL  30   1.872  -9.932  -1.602
  234   2HG1  VAL  30          HG12      VAL  30   0.344 -10.397  -0.855
  235   3HG1  VAL  30          HG13      VAL  30   1.845 -11.175  -0.352
  236   1HG2  VAL  30          HG21      VAL  30   1.933  -7.388  -0.748
  237   2HG2  VAL  30          HG22      VAL  30   0.847  -7.189   0.626
  238   3HG2  VAL  30          HG23      VAL  30   0.281  -7.995  -0.835
  239    H    ARG  31           HN       ARG  31   2.535 -10.684   3.005
  240    HA   ARG  31           HA       ARG  31   1.997 -13.433   2.202
  241   1HB   ARG  31          HB2       ARG  31   3.747 -12.215   4.356
  242   2HB   ARG  31          HB1       ARG  31   3.691 -13.942   4.004
  243   1HG   ARG  31          HG2       ARG  31   4.496 -13.559   1.736
  244   2HG   ARG  31          HG1       ARG  31   4.410 -11.817   1.958
  245   1HD   ARG  31          HD2       ARG  31   6.409 -11.755   2.998
  246   2HD   ARG  31          HD1       ARG  31   5.978 -13.100   4.054
  247    HE   ARG  31           HE       ARG  31   7.763 -13.369   1.942
  248   1HH1  ARG  31          HH21      ARG  31   6.516 -15.561   3.775
  249   2HH1  ARG  31          HH22      ARG  31   5.978 -16.684   2.571
  250   1HH2  ARG  31          HH11      ARG  31   6.281 -14.431  -0.047
  251   2HH2  ARG  31          HH12      ARG  31   5.843 -16.045   0.409
  252    H    ASN  32           HN       ASN  32   1.147 -11.257   4.824
  253    HA   ASN  32           HA       ASN  32  -0.217 -13.512   6.226
  254   1HB   ASN  32          HB2       ASN  32  -0.351 -12.058   8.163
  255   2HB   ASN  32          HB1       ASN  32   1.305 -12.034   7.562
  256   1HD2  ASN  32          HD21      ASN  32   1.627  -9.882   8.533
  257   2HD2  ASN  32          HD22      ASN  32   0.953  -8.499   7.820
  258    H    MET  33           HN       MET  33  -0.911 -11.370   3.864
  259    HA   MET  33           HA       MET  33  -3.577 -10.581   4.850
  260   1HB   MET  33          HB2       MET  33  -1.881  -9.902   2.493
  261   2HB   MET  33          HB1       MET  33  -3.629  -9.801   2.283
  262   1HG   MET  33          HG2       MET  33  -3.507  -8.505   4.585
  263   2HG   MET  33          HG1       MET  33  -1.847  -8.208   4.091
  264   1HE   MET  33          HE1       MET  33  -5.724  -7.226   3.208
  265   2HE   MET  33          HE2       MET  33  -5.161  -8.773   2.581
  266   3HE   MET  33          HE3       MET  33  -5.486  -7.445   1.471
  267    H    GLN  34           HN       GLN  34  -5.422 -10.980   3.257
  268    HA   GLN  34           HA       GLN  34  -5.211 -13.684   2.009
  269   1HB   GLN  34          HB2       GLN  34  -7.468 -12.636   3.751
  270   2HB   GLN  34          HB1       GLN  34  -7.514 -14.152   2.850
  271   1HG   GLN  34          HG2       GLN  34  -5.166 -14.468   4.163
  272   2HG   GLN  34          HG1       GLN  34  -6.037 -13.474   5.332
  273   1HE2  GLN  34          HE21      GLN  34  -8.708 -14.501   4.633
  274   2HE2  GLN  34          HE22      GLN  34  -8.781 -16.097   5.207
  275    HA   PRO  35           HA       PRO  35  -7.052 -11.700  -1.408
  276   1HB   PRO  35          HB2       PRO  35  -8.519 -13.783  -2.477
  277   2HB   PRO  35          HB1       PRO  35  -6.766 -13.608  -2.652
  278   1HG   PRO  35          HG2       PRO  35  -8.303 -15.439  -0.851
  279   2HG   PRO  35          HG1       PRO  35  -6.713 -15.674  -1.595
  280   1HD   PRO  35          HD2       PRO  35  -7.120 -14.951   1.077
  281   2HD   PRO  35          HD1       PRO  35  -5.608 -14.693   0.179
  282    H    GLY  36           HN       GLY  36  -8.690 -10.292  -1.339
  283   1HA   GLY  36          HA2       GLY  36 -11.064  -9.749  -1.353
  284   2HA   GLY  36          HA1       GLY  36 -11.340 -11.147  -0.302
  285    H    GLU  37           HN       GLU  37  -8.533  -9.203   0.280
  286    HA   GLU  37           HA       GLU  37  -9.898  -8.035   2.681
  287   1HB   GLU  37          HB2       GLU  37  -7.248  -9.367   2.321
  288   2HB   GLU  37          HB1       GLU  37  -7.365  -8.056   3.486
  289   1HG   GLU  37          HG2       GLU  37  -9.401  -9.256   4.446
  290   2HG   GLU  37          HG1       GLU  37  -8.942 -10.633   3.445
  291    H    THR  38           HN       THR  38  -8.161  -6.193   3.537
  292    HA   THR  38           HA       THR  38  -7.329  -4.576   1.188
  293    HB   THR  38           HB       THR  38  -8.384  -2.589   2.604
  294    HG1  THR  38           HG1      THR  38  -9.629  -3.299   4.116
  295   1HG2  THR  38          HG21      THR  38  -9.490  -4.431   0.549
  296   2HG2  THR  38          HG22      THR  38  -9.213  -2.691   0.469
  297   3HG2  THR  38          HG23      THR  38 -10.630  -3.321   1.309
  298    H    LEU  39           HN       LEU  39  -5.770  -2.950   1.687
  299    HA   LEU  39           HA       LEU  39  -4.607  -2.986   4.435
  300   1HB   LEU  39          HB2       LEU  39  -3.283  -4.632   3.282
  301   2HB   LEU  39          HB1       LEU  39  -3.157  -3.617   1.847
  302    HG   LEU  39           HG       LEU  39  -2.084  -1.911   3.607
  303   1HD1  LEU  39          HD11      LEU  39  -1.976  -4.600   4.880
  304   2HD1  LEU  39          HD12      LEU  39  -2.080  -3.006   5.627
  305   3HD1  LEU  39          HD13      LEU  39  -0.540  -3.584   4.996
  306   1HD2  LEU  39          HD21      LEU  39  -0.910  -2.637   1.634
  307   2HD2  LEU  39          HD22      LEU  39  -0.738  -4.271   2.271
  308   3HD2  LEU  39          HD23      LEU  39   0.156  -2.941   3.005
  309    H    LEU  40           HN       LEU  40  -4.551  -0.822   4.983
  310    HA   LEU  40           HA       LEU  40  -4.391   1.216   2.858
  311   1HB   LEU  40          HB2       LEU  40  -5.946   1.770   4.582
  312   2HB   LEU  40          HB1       LEU  40  -4.805   1.337   5.856
  313    HG   LEU  40           HG       LEU  40  -3.318   3.209   5.036
  314   1HD1  LEU  40          HD11      LEU  40  -4.235   3.395   2.767
  315   2HD1  LEU  40          HD12      LEU  40  -4.406   4.932   3.616
  316   3HD1  LEU  40          HD13      LEU  40  -5.801   3.870   3.423
  317   1HD2  LEU  40          HD21      LEU  40  -4.869   5.027   5.944
  318   2HD2  LEU  40          HD22      LEU  40  -4.633   3.629   6.993
  319   3HD2  LEU  40          HD23      LEU  40  -6.114   3.782   6.047
  320    H    ILE  41           HN       ILE  41  -2.565   2.540   2.578
  321    HA   ILE  41           HA       ILE  41  -0.229   1.950   4.338
  322    HB   ILE  41           HB       ILE  41   0.011   2.157   1.335
  323   1HG1  ILE  41          HG12      ILE  41  -0.763  -0.210   3.044
  324   2HG1  ILE  41          HG11      ILE  41  -1.432   0.314   1.509
  325   1HG2  ILE  41          HG21      ILE  41   1.872   0.412   2.684
  326   2HG2  ILE  41          HG22      ILE  41   1.826   1.966   3.509
  327   3HG2  ILE  41          HG23      ILE  41   2.200   1.893   1.788
  328   1HD1  ILE  41          HD11      ILE  41   1.257  -0.172   0.939
  329   2HD1  ILE  41          HD12      ILE  41  -0.109  -1.203   0.512
  330   3HD1  ILE  41          HD13      ILE  41   0.782  -1.492   2.005
  331    H    ILE  42           HN       ILE  42   1.317   3.673   4.463
  332    HA   ILE  42           HA       ILE  42   0.533   6.169   3.061
  333    HB   ILE  42           HB       ILE  42   1.868   6.234   5.750
  334   1HG1  ILE  42          HG12      ILE  42  -1.058   5.779   5.169
  335   2HG1  ILE  42          HG11      ILE  42  -0.025   4.946   6.335
  336   1HG2  ILE  42          HG21      ILE  42   1.522   8.462   5.522
  337   2HG2  ILE  42          HG22      ILE  42  -0.167   8.225   5.080
  338   3HG2  ILE  42          HG23      ILE  42   1.086   8.126   3.849
  339   1HD1  ILE  42          HD11      ILE  42  -1.468   6.535   7.499
  340   2HD1  ILE  42          HD12      ILE  42  -0.889   7.839   6.462
  341   3HD1  ILE  42          HD13      ILE  42   0.212   7.060   7.597
  342    H    ALA  43           HN       ALA  43   2.472   7.566   2.803
  343    HA   ALA  43           HA       ALA  43   5.077   6.365   3.226
  344   1HB   ALA  43          HB1       ALA  43   4.789   6.757   0.349
  345   2HB   ALA  43          HB2       ALA  43   3.719   5.493   0.954
  346   3HB   ALA  43          HB3       ALA  43   5.458   5.383   1.229
  347    H    ASP  44           HN       ASP  44   6.477   8.026   3.394
  348    HA   ASP  44           HA       ASP  44   5.643  10.590   2.144
  349   1HB   ASP  44          HB2       ASP  44   7.021  11.759   3.717
  350   2HB   ASP  44          HB1       ASP  44   6.057  10.625   4.648
  351    H    ASP  45           HN       ASP  45   7.905   7.995   2.267
  352    HA   ASP  45           HA       ASP  45  10.068   9.227   0.858
  353   1HB   ASP  45          HB2       ASP  45  10.559   7.170   1.766
  354   2HB   ASP  45          HB1       ASP  45   9.024   6.490   1.269
  355    HA   PRO  46           HA       PRO  46   8.030   9.834  -3.020
  356   1HB   PRO  46          HB2       PRO  46  10.281  10.275  -4.533
  357   2HB   PRO  46          HB1       PRO  46   9.592  11.480  -3.431
  358   1HG   PRO  46          HG2       PRO  46  12.038   9.810  -3.099
  359   2HG   PRO  46          HG1       PRO  46  11.651  11.384  -2.385
  360   1HD   PRO  46          HD2       PRO  46  11.489   8.881  -1.073
  361   2HD   PRO  46          HD1       PRO  46  10.806  10.408  -0.491
  362    H    ALA  47           HN       ALA  47  10.360   7.392  -2.445
  363    HA   ALA  47           HA       ALA  47   9.976   6.103  -5.078
  364   1HB   ALA  47          HB1       ALA  47  11.394   4.661  -2.901
  365   2HB   ALA  47          HB2       ALA  47  12.131   6.168  -3.442
  366   3HB   ALA  47          HB3       ALA  47  11.843   4.863  -4.594
  367    H    THR  48           HN       THR  48   8.245   6.212  -2.244
  368    HA   THR  48           HA       THR  48   7.477   3.364  -2.238
  369    HB   THR  48           HB       THR  48   5.790   4.273  -0.482
  370    HG1  THR  48           HG1      THR  48   6.062   6.461  -1.150
  371   1HG2  THR  48          HG21      THR  48   8.417   3.402  -0.348
  372   2HG2  THR  48          HG22      THR  48   7.319   3.577   1.021
  373   3HG2  THR  48          HG23      THR  48   8.429   4.881   0.607
  374    H    THR  49           HN       THR  49   6.070   6.509  -3.107
  375    HA   THR  49           HA       THR  49   3.449   5.605  -3.741
  376    HB   THR  49           HB       THR  49   3.130   7.654  -4.769
  377    HG1  THR  49           HG1      THR  49   4.637   8.551  -6.158
  378   1HG2  THR  49          HG21      THR  49   4.693   7.808  -2.601
  379   2HG2  THR  49          HG22      THR  49   4.202   9.240  -3.508
  380   3HG2  THR  49          HG23      THR  49   5.794   8.528  -3.775
  381    H    ARG  50           HN       ARG  50   6.491   5.391  -5.451
  382    HA   ARG  50           HA       ARG  50   5.117   4.272  -7.835
  383   1HB   ARG  50          HB2       ARG  50   7.945   5.137  -7.272
  384   2HB   ARG  50          HB1       ARG  50   7.519   4.251  -8.735
  385   1HG   ARG  50          HG2       ARG  50   5.575   6.212  -8.636
  386   2HG   ARG  50          HG1       ARG  50   7.004   7.056  -8.038
  387   1HD   ARG  50          HD2       ARG  50   6.977   5.398 -10.575
  388   2HD   ARG  50          HD1       ARG  50   6.725   7.144 -10.546
  389    HE   ARG  50           HE       ARG  50   9.086   6.913  -9.203
  390   1HH1  ARG  50          HH21      ARG  50   8.103   6.892 -12.379
  391   2HH1  ARG  50          HH22      ARG  50   9.550   6.194 -13.024
  392   1HH2  ARG  50          HH11      ARG  50  10.880   5.424  -9.916
  393   2HH2  ARG  50          HH12      ARG  50  11.122   5.362 -11.629
  394    H    ASP  51           HN       ASP  51   7.428   3.242  -5.354
  395    HA   ASP  51           HA       ASP  51   7.698   0.607  -6.615
  396   1HB   ASP  51          HB2       ASP  51   8.799   1.736  -4.031
  397   2HB   ASP  51          HB1       ASP  51   9.195   0.138  -4.669
  398    H    ILE  52           HN       ILE  52   6.309   1.795  -3.533
  399    HA   ILE  52           HA       ILE  52   5.619  -0.725  -2.495
  400    HB   ILE  52           HB       ILE  52   4.578   2.036  -2.116
  401   1HG1  ILE  52          HG12      ILE  52   5.681  -0.187  -0.394
  402   2HG1  ILE  52          HG11      ILE  52   6.431   1.362  -0.778
  403   1HG2  ILE  52          HG21      ILE  52   2.825   1.205  -0.547
  404   2HG2  ILE  52          HG22      ILE  52   3.129  -0.438  -1.115
  405   3HG2  ILE  52          HG23      ILE  52   2.477   0.771  -2.221
  406   1HD1  ILE  52          HD11      ILE  52   5.497   2.228   1.075
  407   2HD1  ILE  52          HD12      ILE  52   4.637   0.719   1.380
  408   3HD1  ILE  52          HD13      ILE  52   3.909   1.957   0.359
  409    HA   PRO  53           HA       PRO  53   1.501  -0.584  -4.810
  410   1HB   PRO  53          HB2       PRO  53   1.337   1.185  -6.905
  411   2HB   PRO  53          HB1       PRO  53   0.745   1.511  -5.266
  412   1HG   PRO  53          HG2       PRO  53   3.184   2.543  -6.637
  413   2HG   PRO  53          HG1       PRO  53   2.241   3.278  -5.329
  414   1HD   PRO  53          HD2       PRO  53   4.697   1.946  -5.023
  415   2HD   PRO  53          HD1       PRO  53   3.563   2.328  -3.709
  416    H    GLY  54           HN       GLY  54   4.125   0.491  -6.995
  417   1HA   GLY  54          HA2       GLY  54   3.572  -1.209  -9.151
  418   2HA   GLY  54          HA1       GLY  54   5.221  -0.766  -8.676
  419    H    PHE  55           HN       PHE  55   4.723  -1.967  -5.942
  420    HA   PHE  55           HA       PHE  55   5.541  -4.684  -6.667
  421   1HB   PHE  55          HB2       PHE  55   6.659  -4.097  -4.749
  422   2HB   PHE  55          HB1       PHE  55   5.348  -3.072  -4.164
  423    HD1  PHE  55           HD1      PHE  55   5.351  -6.666  -5.228
  424    HD2  PHE  55           HD2      PHE  55   4.774  -3.863  -2.035
  425    HE1  PHE  55           HE1      PHE  55   4.530  -8.489  -3.780
  426    HE2  PHE  55           HE2      PHE  55   3.957  -5.694  -0.594
  427    HZ   PHE  55           HZ       PHE  55   3.824  -8.005  -1.463
  428    H    CYS  56           HN       CYS  56   2.742  -3.281  -4.869
  429    HA   CYS  56           HA       CYS  56   1.351  -5.698  -4.486
  430   1HB   CYS  56          HB2       CYS  56   0.424  -2.876  -4.981
  431   2HB   CYS  56          HB1       CYS  56  -0.732  -4.185  -4.729
  432    HG   CYS  56           HG       CYS  56   0.019  -4.433  -2.330
  433    H    THR  57           HN       THR  57   1.533  -3.669  -7.380
  434    HA   THR  57           HA       THR  57  -0.459  -5.119  -8.868
  435    HB   THR  57           HB       THR  57   1.936  -3.583  -9.915
  436    HG1  THR  57           HG1      THR  57   0.296  -1.915 -10.083
  437   1HG2  THR  57          HG21      THR  57  -0.361  -3.387 -11.572
  438   2HG2  THR  57          HG22      THR  57  -0.142  -5.095 -11.193
  439   3HG2  THR  57          HG23      THR  57   1.170  -4.182 -11.937
  440    H    PHE  58           HN       PHE  58   3.006  -5.565  -8.395
  441    HA   PHE  58           HA       PHE  58   3.361  -7.544 -10.447
  442   1HB   PHE  58          HB2       PHE  58   5.143  -6.163  -9.211
  443   2HB   PHE  58          HB1       PHE  58   5.000  -7.357  -7.922
  444    HD1  PHE  58           HD1      PHE  58   6.613  -6.560 -10.969
  445    HD2  PHE  58           HD2      PHE  58   5.132  -9.878  -8.683
  446    HE1  PHE  58           HE1      PHE  58   8.103  -8.093 -12.231
  447    HE2  PHE  58           HE2      PHE  58   6.620 -11.413  -9.943
  448    HZ   PHE  58           HZ       PHE  58   8.105 -10.521 -11.716
  449    H    MET  59           HN       MET  59   2.235  -7.764  -7.103
  450    HA   MET  59           HA       MET  59   2.488 -10.706  -7.219
  451   1HB   MET  59          HB2       MET  59   2.083  -8.734  -5.080
  452   2HB   MET  59          HB1       MET  59   1.397 -10.333  -4.824
  453   1HG   MET  59          HG2       MET  59   3.719 -11.194  -5.618
  454   2HG   MET  59          HG1       MET  59   4.273  -9.563  -5.246
  455   1HE   MET  59          HE1       MET  59   4.790 -12.473  -4.418
  456   2HE   MET  59          HE2       MET  59   3.480 -13.127  -3.440
  457   3HE   MET  59          HE3       MET  59   4.974 -12.609  -2.664
  458    H    GLU  60           HN       GLU  60   0.269  -8.677  -8.409
  459    HA   GLU  60           HA       GLU  60  -1.867  -9.219  -9.266
  460   1HB   GLU  60          HB2       GLU  60  -1.984 -11.584  -7.396
  461   2HB   GLU  60          HB1       GLU  60  -2.852 -11.340  -8.910
  462   1HG   GLU  60          HG2       GLU  60   0.076 -11.207  -9.190
  463   2HG   GLU  60          HG1       GLU  60  -0.523 -12.780  -8.665
  464    H    HIS  61           HN       HIS  61  -1.293  -7.615  -6.832
  465    HA   HIS  61           HA       HIS  61  -3.736  -8.014  -5.219
  466   1HB   HIS  61          HB2       HIS  61  -1.503  -5.983  -4.900
  467   2HB   HIS  61          HB1       HIS  61  -2.752  -6.371  -3.724
  468    HD1  HIS  61           HD1      HIS  61  -2.187  -9.517  -4.976
  469    HD2  HIS  61           HD2      HIS  61   0.185  -7.034  -2.616
  470    HE1  HIS  61           HE1      HIS  61  -0.502 -11.013  -3.839
  471    H    GLU  62           HN       GLU  62  -4.843  -5.730  -4.690
  472    HA   GLU  62           HA       GLU  62  -5.033  -4.280  -7.301
  473   1HB   GLU  62          HB2       GLU  62  -7.108  -5.315  -5.444
  474   2HB   GLU  62          HB1       GLU  62  -7.438  -3.793  -6.255
  475   1HG   GLU  62          HG2       GLU  62  -7.713  -4.800  -8.274
  476   2HG   GLU  62          HG1       GLU  62  -6.328  -5.864  -8.027
  477    H    LEU  63           HN       LEU  63  -5.221  -2.074  -7.222
  478    HA   LEU  63           HA       LEU  63  -4.455  -0.765  -4.677
  479   1HB   LEU  63          HB2       LEU  63  -3.215   0.161  -6.460
  480   2HB   LEU  63          HB1       LEU  63  -4.573   0.066  -7.577
  481    HG   LEU  63           HG       LEU  63  -5.712   1.831  -6.082
  482   1HD1  LEU  63          HD11      LEU  63  -4.578   2.780  -4.362
  483   2HD1  LEU  63          HD12      LEU  63  -3.065   2.820  -5.267
  484   3HD1  LEU  63          HD13      LEU  63  -3.557   1.344  -4.436
  485   1HD2  LEU  63          HD21      LEU  63  -3.331   3.165  -7.171
  486   2HD2  LEU  63          HD22      LEU  63  -5.026   3.348  -7.621
  487   3HD2  LEU  63          HD23      LEU  63  -4.074   2.024  -8.291
  488    H    VAL  64           HN       VAL  64  -6.346  -0.692  -3.396
  489    HA   VAL  64           HA       VAL  64  -8.911  -0.365  -4.610
  490    HB   VAL  64           HB       VAL  64  -7.913  -0.247  -1.761
  491   1HG1  VAL  64          HG11      VAL  64 -10.676  -0.144  -2.953
  492   2HG1  VAL  64          HG12      VAL  64  -9.958   0.974  -1.794
  493   3HG1  VAL  64          HG13      VAL  64 -10.381  -0.667  -1.297
  494   1HG2  VAL  64          HG21      VAL  64  -8.200  -2.353  -3.536
  495   2HG2  VAL  64          HG22      VAL  64  -9.716  -2.382  -2.635
  496   3HG2  VAL  64          HG23      VAL  64  -8.178  -2.489  -1.779
  497    H    ALA  65           HN       ALA  65  -6.900   1.940  -2.628
  498    HA   ALA  65           HA       ALA  65  -8.212   4.098  -4.220
  499   1HB   ALA  65          HB1       ALA  65  -8.224   5.198  -1.681
  500   2HB   ALA  65          HB2       ALA  65  -8.749   3.539  -1.396
  501   3HB   ALA  65          HB3       ALA  65  -9.635   4.561  -2.527
  502    H    LYS  66           HN       LYS  66  -6.651   5.669  -4.769
  503    HA   LYS  66           HA       LYS  66  -4.083   5.448  -3.335
  504   1HB   LYS  66          HB2       LYS  66  -4.490   7.214  -5.687
  505   2HB   LYS  66          HB1       LYS  66  -3.070   6.275  -5.229
  506   1HG   LYS  66          HG2       LYS  66  -3.841   4.943  -6.877
  507   2HG   LYS  66          HG1       LYS  66  -4.802   4.276  -5.587
  508   1HD   LYS  66          HD2       LYS  66  -6.608   4.751  -6.860
  509   2HD   LYS  66          HD1       LYS  66  -6.298   6.444  -6.475
  510   1HE   LYS  66          HE2       LYS  66  -5.037   6.772  -8.474
  511   2HE   LYS  66          HE1       LYS  66  -4.944   5.038  -8.782
  512   1HZ   LYS  66          HZ1       LYS  66  -6.614   6.119 -10.169
  513   2HZ   LYS  66          HZ2       LYS  66  -7.438   6.650  -8.781
  514   3HZ   LYS  66          HZ3       LYS  66  -7.324   4.989  -9.121
  515    H    GLU  67           HN       GLU  67  -2.942   7.401  -2.830
  516    HA   GLU  67           HA       GLU  67  -4.637   9.782  -2.347
  517   1HB   GLU  67          HB2       GLU  67  -3.243   8.102  -0.380
  518   2HB   GLU  67          HB1       GLU  67  -3.192   9.820  -0.117
  519   1HG   GLU  67          HG2       GLU  67  -5.741   8.276  -0.618
  520   2HG   GLU  67          HG1       GLU  67  -5.143   8.673   0.994
  521    H    THR  68           HN       THR  68  -3.610  11.330  -3.510
  522    HA   THR  68           HA       THR  68  -0.665  11.678  -3.121
  523    HB   THR  68           HB       THR  68  -0.406  12.158  -5.525
  524    HG1  THR  68           HG1      THR  68  -2.950  11.121  -6.021
  525   1HG2  THR  68          HG21      THR  68  -1.270   9.744  -6.308
  526   2HG2  THR  68          HG22      THR  68  -1.435   9.532  -4.565
  527   3HG2  THR  68          HG23      THR  68   0.134   9.939  -5.259
  528    H    ASP  69           HN       ASP  69  -3.062  12.977  -1.999
  529    HA   ASP  69           HA       ASP  69  -3.338  15.543  -3.369
  530   1HB   ASP  69          HB2       ASP  69  -4.173  14.792  -0.564
  531   2HB   ASP  69          HB1       ASP  69  -4.771  16.161  -1.503
  532    H    GLY  70           HN       GLY  70  -0.831  14.341  -1.792
  533   1HA   GLY  70          HA2       GLY  70   0.999  16.086  -1.561
  534   2HA   GLY  70          HA1       GLY  70  -0.097  16.843  -0.435
  535    H    LEU  71           HN       LEU  71   2.496  15.166  -0.481
  536    HA   LEU  71           HA       LEU  71   2.537  12.880   0.927
  537   1HB   LEU  71          HB2       LEU  71   4.188  15.310   1.638
  538   2HB   LEU  71          HB1       LEU  71   4.539  13.673   2.151
  539    HG   LEU  71           HG       LEU  71   4.120  14.097  -0.734
  540   1HD1  LEU  71          HD11      LEU  71   6.893  14.449  -0.219
  541   2HD1  LEU  71          HD12      LEU  71   6.027  15.625   0.768
  542   3HD1  LEU  71          HD13      LEU  71   5.788  15.595  -0.979
  543   1HD2  LEU  71          HD21      LEU  71   6.062  12.442  -0.726
  544   2HD2  LEU  71          HD22      LEU  71   4.563  11.867   0.005
  545   3HD2  LEU  71          HD23      LEU  71   5.894  12.406   1.029
  546    HA   PRO  72           HA       PRO  72   3.400  11.854   2.367
  547   1HB   PRO  72          HB2       PRO  72   2.409   9.849   3.928
  548   2HB   PRO  72          HB1       PRO  72   3.641  10.987   4.507
  549   1HG   PRO  72          HG2       PRO  72   0.732  10.884   5.119
  550   2HG   PRO  72          HG1       PRO  72   2.060  11.467   6.141
  551   1HD   PRO  72          HD2       PRO  72   0.274  13.098   4.680
  552   2HD   PRO  72          HD1       PRO  72   1.835  13.626   5.350
  553    H    TYR  73           HN       TYR  73   2.835  10.217   0.892
  554    HA   TYR  73           HA       TYR  73   0.230  10.303  -0.310
  555   1HB   TYR  73          HB2       TYR  73   2.138   8.067  -0.723
  556   2HB   TYR  73          HB1       TYR  73   1.028   8.785  -1.882
  557    HD1  TYR  73           HD1      TYR  73   4.287   8.740  -0.538
  558    HD2  TYR  73           HD2      TYR  73   1.501  11.204  -2.635
  559    HE1  TYR  73           HE1      TYR  73   6.174  10.092  -1.394
  560    HE2  TYR  73           HE2      TYR  73   3.349  12.616  -3.470
  561    HH   TYR  73           HH       TYR  73   5.657  12.624  -3.792
  562    H    ARG  74           HN       ARG  74  -1.144   8.304  -0.615
  563    HA   ARG  74           HA       ARG  74  -0.703   6.199   1.346
  564   1HB   ARG  74          HB2       ARG  74  -2.969   8.143   1.467
  565   2HB   ARG  74          HB1       ARG  74  -3.253   6.452   1.889
  566   1HG   ARG  74          HG2       ARG  74  -1.930   6.518   3.717
  567   2HG   ARG  74          HG1       ARG  74  -0.851   7.710   3.039
  568   1HD   ARG  74          HD2       ARG  74  -2.041   9.450   3.892
  569   2HD   ARG  74          HD1       ARG  74  -3.582   8.705   3.472
  570    HE   ARG  74           HE       ARG  74  -2.598   7.212   5.627
  571   1HH1  ARG  74          HH11      ARG  74  -2.355  10.559   5.362
  572   2HH1  ARG  74          HH12      ARG  74  -3.278  10.912   6.783
  573   1HH2  ARG  74          HH21      ARG  74  -4.259   7.626   7.287
  574   2HH2  ARG  74          HH22      ARG  74  -4.354   9.253   7.874
  575    H    TYR  75           HN       TYR  75  -1.904   4.318   0.803
  576    HA   TYR  75           HA       TYR  75  -3.451   4.400  -1.666
  577   1HB   TYR  75          HB2       TYR  75  -1.257   2.425  -1.686
  578   2HB   TYR  75          HB1       TYR  75  -2.049   3.242  -3.035
  579    HD1  TYR  75           HD1      TYR  75  -1.529   5.788  -3.332
  580    HD2  TYR  75           HD2      TYR  75   0.709   3.148  -0.867
  581    HE1  TYR  75           HE1      TYR  75   0.407   7.334  -3.476
  582    HE2  TYR  75           HE2      TYR  75   2.673   4.681  -0.972
  583    HH   TYR  75           HH       TYR  75   3.367   6.720  -1.613
  584    H    LEU  76           HN       LEU  76  -5.124   2.975  -1.289
  585    HA   LEU  76           HA       LEU  76  -4.719   1.018   0.779
  586   1HB   LEU  76          HB2       LEU  76  -6.892   2.135   0.715
  587   2HB   LEU  76          HB1       LEU  76  -7.162   1.550  -0.909
  588    HG   LEU  76           HG       LEU  76  -6.735  -0.786   0.084
  589   1HD1  LEU  76          HD11      LEU  76  -6.070   0.587   2.311
  590   2HD1  LEU  76          HD12      LEU  76  -6.682  -1.066   2.343
  591   3HD1  LEU  76          HD13      LEU  76  -7.776   0.286   2.637
  592   1HD2  LEU  76          HD21      LEU  76  -8.921  -0.918  -0.223
  593   2HD2  LEU  76          HD22      LEU  76  -8.993   0.845  -0.226
  594   3HD2  LEU  76          HD23      LEU  76  -9.218  -0.044   1.279
  595    H    ILE  77           HN       ILE  77  -4.884  -1.335   0.190
  596    HA   ILE  77           HA       ILE  77  -5.034  -1.825  -2.706
  597    HB   ILE  77           HB       ILE  77  -2.800  -2.895  -0.979
  598   1HG1  ILE  77          HG12      ILE  77  -3.024  -0.448  -2.722
  599   2HG1  ILE  77          HG11      ILE  77  -2.395  -0.572  -1.084
  600   1HG2  ILE  77          HG21      ILE  77  -2.807  -2.708  -3.981
  601   2HG2  ILE  77          HG22      ILE  77  -3.674  -4.029  -3.198
  602   3HG2  ILE  77          HG23      ILE  77  -1.941  -3.839  -2.943
  603   1HD1  ILE  77          HD11      ILE  77  -0.657  -0.293  -2.935
  604   2HD1  ILE  77          HD12      ILE  77  -1.054  -1.938  -3.425
  605   3HD1  ILE  77          HD13      ILE  77  -0.394  -1.630  -1.818
  606    H    ARG  78           HN       ARG  78  -6.740  -3.214  -2.775
  607    HA   ARG  78           HA       ARG  78  -7.341  -5.028  -0.587
  608   1HB   ARG  78          HB2       ARG  78  -9.200  -4.334  -1.893
  609   2HB   ARG  78          HB1       ARG  78  -8.380  -4.715  -3.405
  610   1HG   ARG  78          HG2       ARG  78  -8.400  -7.145  -2.700
  611   2HG   ARG  78          HG1       ARG  78  -9.435  -6.676  -1.351
  612   1HD   ARG  78          HD2       ARG  78 -10.937  -5.571  -3.142
  613   2HD   ARG  78          HD1       ARG  78 -10.028  -6.536  -4.305
  614    HE   ARG  78           HE       ARG  78 -10.761  -8.509  -2.715
  615   1HH1  ARG  78          HH11      ARG  78 -12.518  -6.041  -4.259
  616   2HH1  ARG  78          HH12      ARG  78 -14.068  -6.591  -3.717
  617   1HH2  ARG  78          HH21      ARG  78 -12.772  -9.068  -1.668
  618   2HH2  ARG  78          HH22      ARG  78 -14.212  -8.302  -2.249
  619    H    LYS  79           HN       LYS  79  -6.093  -6.795  -0.168
  620    HA   LYS  79           HA       LYS  79  -4.224  -7.974  -1.987
  621   1HB   LYS  79          HB2       LYS  79  -3.956  -8.421   0.362
  622   2HB   LYS  79          HB1       LYS  79  -5.603  -9.036   0.497
  623   1HG   LYS  79          HG2       LYS  79  -4.724 -11.092   0.173
  624   2HG   LYS  79          HG1       LYS  79  -4.471 -10.617  -1.503
  625   1HD   LYS  79          HD2       LYS  79  -2.235  -9.807  -0.988
  626   2HD   LYS  79          HD1       LYS  79  -2.480 -10.135   0.727
  627   1HE   LYS  79          HE2       LYS  79  -1.566 -12.163   0.305
  628   2HE   LYS  79          HE1       LYS  79  -3.110 -12.557  -0.449
  629   1HZ   LYS  79          HZ1       LYS  79  -0.571 -11.794  -1.695
  630   2HZ   LYS  79          HZ2       LYS  79  -2.014 -11.346  -2.472
  631   3HZ   LYS  79          HZ3       LYS  79  -1.687 -12.984  -2.158
  632    H    GLY  80           HN       GLY  80  -5.012  -8.701  -3.939
  633   1HA   GLY  80          HA2       GLY  80  -6.410 -11.086  -4.253
  634   2HA   GLY  80          HA1       GLY  80  -7.661  -9.844  -4.225
  635    H    GLY  81           HN       GLY  81  -7.310 -11.313  -6.520
  636   1HA   GLY  81          HA2       GLY  81  -6.206  -9.249  -8.372
  637   2HA   GLY  81          HA1       GLY  81  -5.815 -10.952  -8.618
  Start of MODEL    9
    1   1H    MET   1          HT1       MET   1 -18.353  11.463  -3.568
    2   2H    MET   1          HT2       MET   1 -18.657   9.818  -3.274
    3   3H    MET   1          HT3       MET   1 -17.063  10.405  -3.268
    4    HA   MET   1           HA       MET   1 -17.343  11.543  -1.264
    5   1HB   MET   1          HB2       MET   1 -20.028  11.751  -2.211
    6   2HB   MET   1          HB1       MET   1 -20.078  11.009  -0.610
    7   1HG   MET   1          HG2       MET   1 -18.943  12.834   0.393
    8   2HG   MET   1          HG1       MET   1 -18.409  13.463  -1.165
    9   1HE   MET   1          HE1       MET   1 -21.228  12.124   0.665
   10   2HE   MET   1          HE2       MET   1 -22.687  12.938   0.103
   11   3HE   MET   1          HE3       MET   1 -21.731  13.652   1.400
   12    H    THR   2           HN       THR   2 -17.156   8.667  -2.274
   13    HA   THR   2           HA       THR   2 -18.230   7.195   0.066
   14    HB   THR   2           HB       THR   2 -17.226   5.204  -1.235
   15    HG1  THR   2           HG1      THR   2 -17.060   5.811  -3.525
   16   1HG2  THR   2          HG21      THR   2 -19.614   6.792  -1.679
   17   2HG2  THR   2          HG22      THR   2 -19.428   5.039  -1.673
   18   3HG2  THR   2          HG23      THR   2 -19.126   5.952  -3.151
   19    H    ASP   3           HN       ASP   3 -16.740   5.740   1.261
   20    HA   ASP   3           HA       ASP   3 -14.017   6.956   1.451
   21   1HB   ASP   3          HB2       ASP   3 -15.694   6.941   3.454
   22   2HB   ASP   3          HB1       ASP   3 -15.262   5.236   3.587
   23    H    LEU   4           HN       LEU   4 -12.861   5.653   0.010
   24    HA   LEU   4           HA       LEU   4 -13.177   2.741   0.038
   25   1HB   LEU   4          HB2       LEU   4 -10.973   4.356  -1.273
   26   2HB   LEU   4          HB1       LEU   4 -11.511   2.730  -1.699
   27    HG   LEU   4           HG       LEU   4 -13.543   4.920  -1.738
   28   1HD1  LEU   4          HD11      LEU   4 -11.289   5.593  -2.938
   29   2HD1  LEU   4          HD12      LEU   4 -12.835   5.867  -3.741
   30   3HD1  LEU   4          HD13      LEU   4 -11.852   4.468  -4.174
   31   1HD2  LEU   4          HD21      LEU   4 -13.805   3.387  -3.998
   32   2HD2  LEU   4          HD22      LEU   4 -14.601   3.036  -2.464
   33   3HD2  LEU   4          HD23      LEU   4 -13.085   2.233  -2.876
   34    H    PHE   5           HN       PHE   5 -11.138   5.117   1.565
   35    HA   PHE   5           HA       PHE   5  -9.160   3.120   2.437
   36   1HB   PHE   5          HB2       PHE   5  -9.471   6.082   2.656
   37   2HB   PHE   5          HB1       PHE   5  -8.497   5.268   3.880
   38    HD1  PHE   5           HD1      PHE   5  -6.545   6.580   2.925
   39    HD2  PHE   5           HD2      PHE   5  -8.667   3.623   0.658
   40    HE1  PHE   5           HE1      PHE   5  -4.674   6.416   1.319
   41    HE2  PHE   5           HE2      PHE   5  -6.756   3.482  -0.913
   42    HZ   PHE   5           HZ       PHE   5  -4.764   4.930  -0.607
   43    H    SER   6           HN       SER   6 -12.170   3.285   3.267
   44    HA   SER   6           HA       SER   6 -12.528   3.919   5.946
   45   1HB   SER   6          HB2       SER   6 -13.527   1.409   4.564
   46   2HB   SER   6          HB1       SER   6 -14.200   2.110   6.033
   47    HG   SER   6           HG       SER   6 -15.324   2.749   4.122
   48    H    SER   7           HN       SER   7 -12.711   2.138   7.778
   49    HA   SER   7           HA       SER   7 -10.183   1.388   8.628
   50   1HB   SER   7          HB2       SER   7 -12.841   0.849   9.428
   51   2HB   SER   7          HB1       SER   7 -11.951  -0.665   9.457
   52    HG   SER   7           HG       SER   7 -11.314   1.776  10.746
   53    HA   PRO   8           HA       PRO   8  -9.478  -1.709   5.415
   54   1HB   PRO   8          HB2       PRO   8  -6.745  -1.616   5.648
   55   2HB   PRO   8          HB1       PRO   8  -7.685  -0.471   4.679
   56   1HG   PRO   8          HG2       PRO   8  -6.388  -0.055   7.335
   57   2HG   PRO   8          HG1       PRO   8  -6.739   1.122   6.060
   58   1HD   PRO   8          HD2       PRO   8  -8.239   0.767   8.419
   59   2HD   PRO   8          HD1       PRO   8  -8.768   1.658   6.978
   60    H    ASP   9           HN       ASP   9  -8.175  -3.823   5.514
   61    HA   ASP   9           HA       ASP   9  -8.623  -5.076   8.120
   62   1HB   ASP   9          HB2       ASP   9  -7.442  -6.164   5.542
   63   2HB   ASP   9          HB1       ASP   9  -7.822  -7.136   6.965
   64    H    HIS  10           HN       HIS  10  -5.972  -3.665   6.391
   65    HA   HIS  10           HA       HIS  10  -4.187  -4.252   8.686
   66   1HB   HIS  10          HB2       HIS  10  -3.754  -5.095   5.830
   67   2HB   HIS  10          HB1       HIS  10  -2.378  -4.734   6.866
   68    HD1  HIS  10           HD1      HIS  10  -1.559  -6.680   8.204
   69    HD2  HIS  10           HD2      HIS  10  -5.589  -7.074   7.211
   70    HE1  HIS  10           HE1      HIS  10  -2.300  -8.929   9.103
   71    H    THR  11           HN       THR  11  -2.011  -2.960   8.260
   72    HA   THR  11           HA       THR  11  -2.484  -0.530   6.630
   73    HB   THR  11           HB       THR  11  -1.685  -0.429   9.538
   74    HG1  THR  11           HG1      THR  11  -3.857   0.727   9.495
   75   1HG2  THR  11          HG21      THR  11  -2.145   2.032   9.197
   76   2HG2  THR  11          HG22      THR  11  -2.298   1.700   7.471
   77   3HG2  THR  11          HG23      THR  11  -0.761   1.423   8.290
   78    H    LEU  12           HN       LEU  12  -0.465   0.709   6.352
   79    HA   LEU  12           HA       LEU  12   2.033  -0.698   7.129
   80   1HB   LEU  12          HB2       LEU  12   1.700  -1.654   4.960
   81   2HB   LEU  12          HB1       LEU  12   1.183  -0.109   4.293
   82    HG   LEU  12           HG       LEU  12   3.405   0.794   4.313
   83   1HD1  LEU  12          HD11      LEU  12   4.187   0.316   6.494
   84   2HD1  LEU  12          HD12      LEU  12   5.252  -0.628   5.462
   85   3HD1  LEU  12          HD13      LEU  12   3.925  -1.417   6.314
   86   1HD2  LEU  12          HD21      LEU  12   3.367  -2.144   3.616
   87   2HD2  LEU  12          HD22      LEU  12   4.831  -1.180   3.421
   88   3HD2  LEU  12          HD23      LEU  12   3.370  -0.749   2.535
   89    H    ASP  13           HN       ASP  13   3.011   0.986   8.210
   90    HA   ASP  13           HA       ASP  13   2.687   3.748   7.285
   91   1HB   ASP  13          HB2       ASP  13   3.115   3.017   9.718
   92   2HB   ASP  13          HB1       ASP  13   4.782   2.719   9.223
   93    H    ALA  14           HN       ALA  14   4.207   4.866   5.961
   94    HA   ALA  14           HA       ALA  14   6.728   3.449   5.367
   95   1HB   ALA  14          HB1       ALA  14   5.460   4.417   2.919
   96   2HB   ALA  14          HB2       ALA  14   4.604   3.079   3.687
   97   3HB   ALA  14          HB3       ALA  14   6.299   2.900   3.238
   98    H    LEU  15           HN       LEU  15   5.549   5.865   6.606
   99    HA   LEU  15           HA       LEU  15   6.682   8.137   5.205
  100   1HB   LEU  15          HB2       LEU  15   5.903   8.061   8.106
  101   2HB   LEU  15          HB1       LEU  15   5.856   9.386   6.963
  102    HG   LEU  15           HG       LEU  15   4.114   6.956   6.661
  103   1HD1  LEU  15          HD11      LEU  15   2.706   7.760   8.219
  104   2HD1  LEU  15          HD12      LEU  15   2.692   9.339   7.431
  105   3HD1  LEU  15          HD13      LEU  15   3.919   8.969   8.643
  106   1HD2  LEU  15          HD21      LEU  15   3.844   7.936   4.641
  107   2HD2  LEU  15          HD22      LEU  15   4.653   9.413   5.167
  108   3HD2  LEU  15          HD23      LEU  15   2.939   9.177   5.505
  109    H    GLY  16           HN       GLY  16   8.817   8.031   5.082
  110   1HA   GLY  16          HA2       GLY  16  11.000   8.388   6.115
  111   2HA   GLY  16          HA1       GLY  16  10.386   7.596   7.575
  112    H    LEU  17           HN       LEU  17   9.069   5.778   5.285
  113    HA   LEU  17           HA       LEU  17  11.175   3.725   5.384
  114   1HB   LEU  17          HB2       LEU  17   8.325   3.717   4.343
  115   2HB   LEU  17          HB1       LEU  17   9.410   2.337   4.237
  116    HG   LEU  17           HG       LEU  17   8.041   3.500   6.612
  117   1HD1  LEU  17          HD11      LEU  17   8.018   1.021   7.144
  118   2HD1  LEU  17          HD12      LEU  17   8.837   0.754   5.606
  119   3HD1  LEU  17          HD13      LEU  17   7.216   1.446   5.632
  120   1HD2  LEU  17          HD21      LEU  17  10.333   3.766   7.292
  121   2HD2  LEU  17          HD22      LEU  17  10.757   2.178   6.654
  122   3HD2  LEU  17          HD23      LEU  17   9.710   2.310   8.067
  123    H    ARG  18           HN       ARG  18  12.076   2.915   3.436
  124    HA   ARG  18           HA       ARG  18  11.217   4.351   0.994
  125   1HB   ARG  18          HB2       ARG  18  13.708   4.720   0.463
  126   2HB   ARG  18          HB1       ARG  18  12.910   5.780   1.628
  127   1HG   ARG  18          HG2       ARG  18  13.772   4.329   3.476
  128   2HG   ARG  18          HG1       ARG  18  14.672   3.401   2.275
  129   1HD   ARG  18          HD2       ARG  18  15.793   5.546   1.570
  130   2HD   ARG  18          HD1       ARG  18  15.014   6.337   2.942
  131    HE   ARG  18           HE       ARG  18  17.379   4.761   3.110
  132   1HH1  ARG  18          HH11      ARG  18  16.033   6.592   5.210
  133   2HH1  ARG  18          HH12      ARG  18  15.809   5.464   6.505
  134   1HH2  ARG  18          HH21      ARG  18  16.348   2.674   4.521
  135   2HH2  ARG  18          HH22      ARG  18  15.986   3.247   6.114
  136    H    CYS  19           HN       CYS  19  11.684   3.234  -0.897
  137    HA   CYS  19           HA       CYS  19  11.538   0.451  -0.831
  138   1HB   CYS  19          HB2       CYS  19  11.155   1.537  -2.900
  139   2HB   CYS  19          HB1       CYS  19  12.756   2.270  -2.911
  140    HG   CYS  19           HG       CYS  19  13.292  -0.607  -2.887
  141    HA   PRO  20           HA       PRO  20  11.966  -1.305  -1.525
  142   1HB   PRO  20          HB2       PRO  20  12.827  -3.730  -0.610
  143   2HB   PRO  20          HB1       PRO  20  13.372  -3.038  -2.148
  144   1HG   PRO  20          HG2       PRO  20  14.859  -3.310   0.413
  145   2HG   PRO  20          HG1       PRO  20  15.488  -3.169  -1.233
  146   1HD   PRO  20          HD2       PRO  20  15.334  -1.101   0.733
  147   2HD   PRO  20          HD1       PRO  20  15.819  -0.926  -0.968
  148    H    GLU  21           HN       GLU  21  13.025  -0.435   1.499
  149    HA   GLU  21           HA       GLU  21  11.949  -2.196   3.347
  150   1HB   GLU  21          HB2       GLU  21  12.258   0.750   3.421
  151   2HB   GLU  21          HB1       GLU  21  11.565  -0.098   4.794
  152   1HG   GLU  21          HG2       GLU  21  13.576  -1.550   4.883
  153   2HG   GLU  21          HG1       GLU  21  14.276  -0.639   3.543
  154    HA   PRO  22           HA       PRO  22   7.711  -0.056   3.334
  155   1HB   PRO  22          HB2       PRO  22   7.105   1.312   1.026
  156   2HB   PRO  22          HB1       PRO  22   7.766   2.072   2.469
  157   1HG   PRO  22          HG2       PRO  22   9.132   1.405  -0.093
  158   2HG   PRO  22          HG1       PRO  22   9.484   2.704   1.061
  159   1HD   PRO  22          HD2       PRO  22  10.924   0.328   0.846
  160   2HD   PRO  22          HD1       PRO  22  10.942   1.383   2.266
  161    H    VAL  23           HN       VAL  23   8.538  -0.493  -0.076
  162    HA   VAL  23           HA       VAL  23   6.415  -2.134  -0.881
  163    HB   VAL  23           HB       VAL  23   9.350  -2.439  -1.580
  164   1HG1  VAL  23          HG11      VAL  23   8.060  -3.160  -3.816
  165   2HG1  VAL  23          HG12      VAL  23   6.824  -3.619  -2.645
  166   3HG1  VAL  23          HG13      VAL  23   8.438  -4.323  -2.546
  167   1HG2  VAL  23          HG21      VAL  23   7.374  -0.387  -2.185
  168   2HG2  VAL  23          HG22      VAL  23   7.983  -1.143  -3.657
  169   3HG2  VAL  23          HG23      VAL  23   9.105  -0.398  -2.519
  170    H    MET  24           HN       MET  24   9.129  -2.815   1.236
  171    HA   MET  24           HA       MET  24   8.848  -5.717   1.132
  172   1HB   MET  24          HB2       MET  24  10.376  -3.750   2.774
  173   2HB   MET  24          HB1       MET  24  10.134  -5.361   3.447
  174   1HG   MET  24          HG2       MET  24  10.978  -6.287   1.232
  175   2HG   MET  24          HG1       MET  24  11.463  -4.644   0.823
  176   1HE   MET  24          HE1       MET  24  11.884  -7.751   2.435
  177   2HE   MET  24          HE2       MET  24  11.910  -7.185   4.103
  178   3HE   MET  24          HE3       MET  24  13.401  -7.738   3.345
  179    H    MET  25           HN       MET  25   7.744  -3.170   3.356
  180    HA   MET  25           HA       MET  25   6.577  -4.871   5.304
  181   1HB   MET  25          HB2       MET  25   6.136  -2.040   4.434
  182   2HB   MET  25          HB1       MET  25   4.950  -2.783   5.508
  183   1HG   MET  25          HG2       MET  25   7.860  -3.072   6.163
  184   2HG   MET  25          HG1       MET  25   7.062  -1.537   6.508
  185   1HE   MET  25          HE1       MET  25   8.124  -2.602   9.046
  186   2HE   MET  25          HE2       MET  25   8.420  -4.090   8.149
  187   3HE   MET  25          HE3       MET  25   7.510  -4.145   9.656
  188    H    VAL  26           HN       VAL  26   5.202  -3.483   2.319
  189    HA   VAL  26           HA       VAL  26   2.583  -4.611   2.690
  190    HB   VAL  26           HB       VAL  26   4.086  -3.915   0.152
  191   1HG1  VAL  26          HG11      VAL  26   2.329  -4.677  -1.063
  192   2HG1  VAL  26          HG12      VAL  26   1.169  -3.899   0.013
  193   3HG1  VAL  26          HG13      VAL  26   1.788  -5.503   0.396
  194   1HG2  VAL  26          HG21      VAL  26   3.680  -1.857   1.077
  195   2HG2  VAL  26          HG22      VAL  26   2.370  -2.462   2.090
  196   3HG2  VAL  26          HG23      VAL  26   2.080  -2.121   0.386
  197    H    ARG  27           HN       ARG  27   5.610  -5.911   1.505
  198    HA   ARG  27           HA       ARG  27   4.539  -8.250   0.224
  199   1HB   ARG  27          HB2       ARG  27   7.216  -7.606   1.444
  200   2HB   ARG  27          HB1       ARG  27   6.859  -9.223   0.821
  201   1HG   ARG  27          HG2       ARG  27   6.280  -6.811  -0.872
  202   2HG   ARG  27          HG1       ARG  27   7.925  -7.438  -0.778
  203   1HD   ARG  27          HD2       ARG  27   5.514  -9.136  -1.465
  204   2HD   ARG  27          HD1       ARG  27   6.578  -8.406  -2.668
  205    HE   ARG  27           HE       ARG  27   7.186 -10.752  -1.070
  206   1HH1  ARG  27          HH11      ARG  27   8.133  -9.663  -3.881
  207   2HH1  ARG  27          HH12      ARG  27   9.839  -9.601  -3.592
  208   1HH2  ARG  27          HH21      ARG  27   9.538  -9.946  -0.155
  209   2HH2  ARG  27          HH22      ARG  27  10.634  -9.761  -1.482
  210    H    LYS  28           HN       LYS  28   5.952  -7.848   3.448
  211    HA   LYS  28           HA       LYS  28   5.366 -10.469   4.403
  212   1HB   LYS  28          HB2       LYS  28   5.318  -8.045   6.199
  213   2HB   LYS  28          HB1       LYS  28   5.919  -9.665   6.553
  214   1HG   LYS  28          HG2       LYS  28   7.609  -9.159   4.602
  215   2HG   LYS  28          HG1       LYS  28   7.213  -7.477   4.953
  216   1HD   LYS  28          HD2       LYS  28   8.237  -7.518   7.006
  217   2HD   LYS  28          HD1       LYS  28   7.820  -9.208   7.294
  218   1HE   LYS  28          HE2       LYS  28   9.775  -8.544   5.119
  219   2HE   LYS  28          HE1       LYS  28  10.323  -8.532   6.795
  220   1HZ   LYS  28          HZ1       LYS  28   9.963 -10.757   7.031
  221   2HZ   LYS  28          HZ2       LYS  28  10.380 -10.712   5.384
  222   3HZ   LYS  28          HZ3       LYS  28   8.748 -10.816   5.849
  223    H    THR  29           HN       THR  29   3.583  -7.443   4.582
  224    HA   THR  29           HA       THR  29   1.286  -8.363   6.000
  225    HB   THR  29           HB       THR  29   2.052  -6.138   4.207
  226    HG1  THR  29           HG1      THR  29   1.509  -4.955   5.973
  227   1HG2  THR  29          HG21      THR  29  -0.850  -6.573   4.928
  228   2HG2  THR  29          HG22      THR  29  -0.171  -6.815   3.317
  229   3HG2  THR  29          HG23      THR  29  -0.175  -5.207   4.039
  230    H    VAL  30           HN       VAL  30   2.282  -8.381   2.661
  231    HA   VAL  30           HA       VAL  30  -0.194  -9.328   1.521
  232    HB   VAL  30           HB       VAL  30   2.695  -9.187   0.663
  233   1HG1  VAL  30          HG11      VAL  30   1.763  -9.954  -1.615
  234   2HG1  VAL  30          HG12      VAL  30   0.440 -10.645  -0.675
  235   3HG1  VAL  30          HG13      VAL  30   2.097 -11.184  -0.396
  236   1HG2  VAL  30          HG21      VAL  30   0.872  -7.265   0.611
  237   2HG2  VAL  30          HG22      VAL  30   0.354  -8.091  -0.859
  238   3HG2  VAL  30          HG23      VAL  30   1.996  -7.462  -0.734
  239    H    ARG  31           HN       ARG  31   2.570 -10.709   3.069
  240    HA   ARG  31           HA       ARG  31   2.087 -13.464   2.280
  241   1HB   ARG  31          HB2       ARG  31   3.726 -12.236   4.517
  242   2HB   ARG  31          HB1       ARG  31   3.724 -13.955   4.123
  243   1HG   ARG  31          HG2       ARG  31   4.645 -13.534   1.933
  244   2HG   ARG  31          HG1       ARG  31   4.431 -11.797   2.114
  245   1HD   ARG  31          HD2       ARG  31   6.465 -11.642   3.051
  246   2HD   ARG  31          HD1       ARG  31   5.947 -12.722   4.347
  247    HE   ARG  31           HE       ARG  31   6.680 -14.137   1.902
  248   1HH1  ARG  31          HH21      ARG  31   7.044 -14.954   4.848
  249   2HH1  ARG  31          HH22      ARG  31   8.772 -14.942   4.970
  250   1HH2  ARG  31          HH11      ARG  31   9.229 -13.142   2.041
  251   2HH2  ARG  31          HH12      ARG  31  10.009 -13.916   3.379
  252    H    ASN  32           HN       ASN  32   1.112 -11.299   4.886
  253    HA   ASN  32           HA       ASN  32  -0.310 -13.598   6.176
  254   1HB   ASN  32          HB2       ASN  32  -0.640 -12.004   8.091
  255   2HB   ASN  32          HB1       ASN  32   1.052 -12.355   7.743
  256   1HD2  ASN  32          HD21      ASN  32  -1.466  -9.961   6.737
  257   2HD2  ASN  32          HD22      ASN  32  -0.401  -8.641   6.713
  258    H    MET  33           HN       MET  33  -0.910 -11.380   3.854
  259    HA   MET  33           HA       MET  33  -3.602 -10.609   4.792
  260   1HB   MET  33          HB2       MET  33  -1.846  -9.851   2.498
  261   2HB   MET  33          HB1       MET  33  -3.590  -9.716   2.268
  262   1HG   MET  33          HG2       MET  33  -3.429  -8.562   4.673
  263   2HG   MET  33          HG1       MET  33  -1.803  -8.199   4.116
  264   1HE   MET  33          HE1       MET  33  -5.163  -8.773   2.688
  265   2HE   MET  33          HE2       MET  33  -5.604  -7.346   1.753
  266   3HE   MET  33          HE3       MET  33  -5.725  -7.312   3.510
  267    H    GLN  34           HN       GLN  34  -5.394 -10.932   3.078
  268    HA   GLN  34           HA       GLN  34  -5.133 -13.591   1.750
  269   1HB   GLN  34          HB2       GLN  34  -7.163 -12.699   3.782
  270   2HB   GLN  34          HB1       GLN  34  -7.636 -13.847   2.528
  271   1HG   GLN  34          HG2       GLN  34  -5.071 -14.421   3.907
  272   2HG   GLN  34          HG1       GLN  34  -6.531 -14.611   4.880
  273   1HE2  GLN  34          HE21      GLN  34  -4.542 -16.530   3.254
  274   2HE2  GLN  34          HE22      GLN  34  -5.628 -17.614   2.530
  275    HA   PRO  35           HA       PRO  35  -7.016 -11.526  -1.597
  276   1HB   PRO  35          HB2       PRO  35  -8.403 -13.616  -2.753
  277   2HB   PRO  35          HB1       PRO  35  -6.657 -13.367  -2.910
  278   1HG   PRO  35          HG2       PRO  35  -8.133 -15.326  -1.191
  279   2HG   PRO  35          HG1       PRO  35  -6.531 -15.475  -1.937
  280   1HD   PRO  35          HD2       PRO  35  -6.973 -14.872   0.760
  281   2HD   PRO  35          HD1       PRO  35  -5.469 -14.523  -0.123
  282    H    GLY  36           HN       GLY  36  -8.612 -10.146  -1.284
  283   1HA   GLY  36          HA2       GLY  36 -11.040  -9.693  -1.374
  284   2HA   GLY  36          HA1       GLY  36 -11.267 -11.117  -0.348
  285    H    GLU  37           HN       GLU  37  -8.473  -9.264   0.370
  286    HA   GLU  37           HA       GLU  37  -9.890  -8.059   2.719
  287   1HB   GLU  37          HB2       GLU  37  -7.249  -9.435   2.422
  288   2HB   GLU  37          HB1       GLU  37  -7.388  -8.141   3.605
  289   1HG   GLU  37          HG2       GLU  37  -9.304 -10.480   3.457
  290   2HG   GLU  37          HG1       GLU  37  -7.899 -10.436   4.523
  291    H    THR  38           HN       THR  38  -8.188  -6.205   3.617
  292    HA   THR  38           HA       THR  38  -7.242  -4.655   1.261
  293    HB   THR  38           HB       THR  38  -8.308  -2.622   2.604
  294    HG1  THR  38           HG1      THR  38  -9.667  -3.251   4.051
  295   1HG2  THR  38          HG21      THR  38 -10.233  -2.771   1.107
  296   2HG2  THR  38          HG22      THR  38  -9.941  -4.493   0.868
  297   3HG2  THR  38          HG23      THR  38  -8.782  -3.312   0.261
  298    H    LEU  39           HN       LEU  39  -5.688  -3.045   1.756
  299    HA   LEU  39           HA       LEU  39  -4.583  -3.013   4.527
  300   1HB   LEU  39          HB2       LEU  39  -3.242  -4.694   3.451
  301   2HB   LEU  39          HB1       LEU  39  -3.090  -3.727   1.984
  302    HG   LEU  39           HG       LEU  39  -2.039  -1.971   3.714
  303   1HD1  LEU  39          HD11      LEU  39  -2.072  -3.021   5.757
  304   2HD1  LEU  39          HD12      LEU  39  -0.517  -3.606   5.168
  305   3HD1  LEU  39          HD13      LEU  39  -1.948  -4.631   5.051
  306   1HD2  LEU  39          HD21      LEU  39  -0.813  -2.707   1.797
  307   2HD2  LEU  39          HD22      LEU  39  -0.710  -4.356   2.412
  308   3HD2  LEU  39          HD23      LEU  39   0.211  -3.068   3.187
  309    H    LEU  40           HN       LEU  40  -4.525  -0.835   5.014
  310    HA   LEU  40           HA       LEU  40  -4.341   1.140   2.834
  311   1HB   LEU  40          HB2       LEU  40  -5.899   1.755   4.535
  312   2HB   LEU  40          HB1       LEU  40  -4.767   1.350   5.825
  313    HG   LEU  40           HG       LEU  40  -3.281   3.196   5.063
  314   1HD1  LEU  40          HD11      LEU  40  -5.247   4.617   3.496
  315   2HD1  LEU  40          HD12      LEU  40  -4.916   3.050   2.760
  316   3HD1  LEU  40          HD13      LEU  40  -3.595   4.178   3.062
  317   1HD2  LEU  40          HD21      LEU  40  -4.641   3.902   6.824
  318   2HD2  LEU  40          HD22      LEU  40  -6.125   3.690   5.896
  319   3HD2  LEU  40          HD23      LEU  40  -5.071   5.067   5.572
  320    H    ILE  41           HN       ILE  41  -2.525   2.522   2.585
  321    HA   ILE  41           HA       ILE  41  -0.190   1.903   4.333
  322    HB   ILE  41           HB       ILE  41   0.057   2.135   1.336
  323   1HG1  ILE  41          HG12      ILE  41  -0.753  -0.230   3.025
  324   2HG1  ILE  41          HG11      ILE  41  -1.400   0.303   1.484
  325   1HG2  ILE  41          HG21      ILE  41   1.864   1.917   3.511
  326   2HG2  ILE  41          HG22      ILE  41   2.243   1.845   1.792
  327   3HG2  ILE  41          HG23      ILE  41   1.900   0.364   2.680
  328   1HD1  ILE  41          HD11      ILE  41  -0.086  -1.232   0.502
  329   2HD1  ILE  41          HD12      ILE  41   0.786  -1.530   2.005
  330   3HD1  ILE  41          HD13      ILE  41   1.288  -0.217   0.942
  331    H    ILE  42           HN       ILE  42   1.244   3.641   4.624
  332    HA   ILE  42           HA       ILE  42   0.508   6.168   3.243
  333    HB   ILE  42           HB       ILE  42   1.818   5.995   5.958
  334   1HG1  ILE  42          HG12      ILE  42  -1.063   5.745   5.179
  335   2HG1  ILE  42          HG11      ILE  42  -0.196   4.989   6.516
  336   1HG2  ILE  42          HG21      ILE  42   0.120   8.190   4.746
  337   2HG2  ILE  42          HG22      ILE  42   1.855   8.092   4.467
  338   3HG2  ILE  42          HG23      ILE  42   1.240   8.307   6.102
  339   1HD1  ILE  42          HD11      ILE  42  -1.088   7.864   6.303
  340   2HD1  ILE  42          HD12      ILE  42  -0.001   7.270   7.558
  341   3HD1  ILE  42          HD13      ILE  42  -1.651   6.652   7.455
  342    H    ALA  43           HN       ALA  43   2.418   7.532   2.873
  343    HA   ALA  43           HA       ALA  43   5.041   6.355   3.290
  344   1HB   ALA  43          HB1       ALA  43   4.535   6.726   0.397
  345   2HB   ALA  43          HB2       ALA  43   3.736   5.333   1.128
  346   3HB   ALA  43          HB3       ALA  43   5.490   5.495   1.225
  347    H    ASP  44           HN       ASP  44   6.401   8.037   3.482
  348    HA   ASP  44           HA       ASP  44   5.573  10.586   2.200
  349   1HB   ASP  44          HB2       ASP  44   6.981  11.760   3.773
  350   2HB   ASP  44          HB1       ASP  44   5.945  10.681   4.696
  351    H    ASP  45           HN       ASP  45   7.838   7.993   2.369
  352    HA   ASP  45           HA       ASP  45  10.035   9.214   1.013
  353   1HB   ASP  45          HB2       ASP  45  10.461   7.127   1.904
  354   2HB   ASP  45          HB1       ASP  45   8.942   6.476   1.320
  355    HA   PRO  46           HA       PRO  46   8.101   9.915  -2.896
  356   1HB   PRO  46          HB2       PRO  46  10.388  10.298  -4.370
  357   2HB   PRO  46          HB1       PRO  46   9.724  11.510  -3.261
  358   1HG   PRO  46          HG2       PRO  46  12.108   9.754  -2.916
  359   2HG   PRO  46          HG1       PRO  46  11.761  11.331  -2.187
  360   1HD   PRO  46          HD2       PRO  46  11.494   8.813  -0.916
  361   2HD   PRO  46          HD1       PRO  46  10.859  10.354  -0.319
  362    H    ALA  47           HN       ALA  47  10.363   7.387  -2.342
  363    HA   ALA  47           HA       ALA  47   9.941   6.151  -4.996
  364   1HB   ALA  47          HB1       ALA  47  11.575   5.325  -2.582
  365   2HB   ALA  47          HB2       ALA  47  12.178   5.971  -4.108
  366   3HB   ALA  47          HB3       ALA  47  11.460   4.361  -4.054
  367    H    THR  48           HN       THR  48   8.202   6.248  -2.167
  368    HA   THR  48           HA       THR  48   7.418   3.408  -2.162
  369    HB   THR  48           HB       THR  48   5.640   4.439  -0.499
  370    HG1  THR  48           HG1      THR  48   6.247   6.598  -1.173
  371   1HG2  THR  48          HG21      THR  48   8.603   4.382   0.131
  372   2HG2  THR  48          HG22      THR  48   7.531   2.982   0.114
  373   3HG2  THR  48          HG23      THR  48   7.292   4.259   1.307
  374    H    THR  49           HN       THR  49   5.981   6.540  -3.067
  375    HA   THR  49           HA       THR  49   3.393   5.600  -3.752
  376    HB   THR  49           HB       THR  49   3.071   7.628  -4.819
  377    HG1  THR  49           HG1      THR  49   5.715   7.946  -5.635
  378   1HG2  THR  49          HG21      THR  49   4.023   9.196  -3.479
  379   2HG2  THR  49          HG22      THR  49   5.661   8.637  -3.822
  380   3HG2  THR  49          HG23      THR  49   4.672   7.794  -2.629
  381    H    ARG  50           HN       ARG  50   6.462   5.371  -5.411
  382    HA   ARG  50           HA       ARG  50   5.116   4.238  -7.806
  383   1HB   ARG  50          HB2       ARG  50   7.936   5.095  -7.202
  384   2HB   ARG  50          HB1       ARG  50   7.535   4.194  -8.663
  385   1HG   ARG  50          HG2       ARG  50   5.616   6.081  -8.792
  386   2HG   ARG  50          HG1       ARG  50   6.849   6.993  -7.919
  387   1HD   ARG  50          HD2       ARG  50   8.316   6.976  -9.692
  388   2HD   ARG  50          HD1       ARG  50   7.743   5.419 -10.288
  389    HE   ARG  50           HE       ARG  50   6.807   7.964 -11.194
  390   1HH1  ARG  50          HH11      ARG  50   6.419   5.373 -12.658
  391   2HH1  ARG  50          HH12      ARG  50   4.701   5.170 -12.582
  392   1HH2  ARG  50          HH21      ARG  50   4.274   7.488 -10.037
  393   2HH2  ARG  50          HH22      ARG  50   3.487   6.368 -11.098
  394    H    ASP  51           HN       ASP  51   7.362   3.213  -5.272
  395    HA   ASP  51           HA       ASP  51   7.631   0.566  -6.517
  396   1HB   ASP  51          HB2       ASP  51   8.741   1.740  -3.957
  397   2HB   ASP  51          HB1       ASP  51   9.109   0.112  -4.539
  398    H    ILE  52           HN       ILE  52   6.232   1.789  -3.454
  399    HA   ILE  52           HA       ILE  52   5.535  -0.733  -2.414
  400    HB   ILE  52           HB       ILE  52   4.549   2.038  -2.012
  401   1HG1  ILE  52          HG12      ILE  52   5.575  -0.226  -0.300
  402   2HG1  ILE  52          HG11      ILE  52   6.387   1.290  -0.690
  403   1HG2  ILE  52          HG21      ILE  52   2.417   0.819  -2.135
  404   2HG2  ILE  52          HG22      ILE  52   2.767   1.251  -0.461
  405   3HG2  ILE  52          HG23      ILE  52   3.034  -0.401  -1.020
  406   1HD1  ILE  52          HD11      ILE  52   3.876   1.964   0.454
  407   2HD1  ILE  52          HD12      ILE  52   5.480   2.220   1.142
  408   3HD1  ILE  52          HD13      ILE  52   4.601   0.730   1.486
  409    HA   PRO  53           HA       PRO  53   1.407  -0.553  -4.708
  410   1HB   PRO  53          HB2       PRO  53   1.223   1.259  -6.761
  411   2HB   PRO  53          HB1       PRO  53   0.646   1.551  -5.110
  412   1HG   PRO  53          HG2       PRO  53   3.069   2.616  -6.483
  413   2HG   PRO  53          HG1       PRO  53   2.142   3.319  -5.146
  414   1HD   PRO  53          HD2       PRO  53   4.604   1.974  -4.905
  415   2HD   PRO  53          HD1       PRO  53   3.491   2.336  -3.567
  416    H    GLY  54           HN       GLY  54   4.011   0.579  -6.898
  417   1HA   GLY  54          HA2       GLY  54   3.424  -1.105  -9.067
  418   2HA   GLY  54          HA1       GLY  54   5.076  -0.637  -8.624
  419    H    PHE  55           HN       PHE  55   4.621  -1.865  -5.886
  420    HA   PHE  55           HA       PHE  55   5.513  -4.549  -6.617
  421   1HB   PHE  55          HB2       PHE  55   6.597  -3.913  -4.685
  422   2HB   PHE  55          HB1       PHE  55   5.235  -2.957  -4.106
  423    HD1  PHE  55           HD1      PHE  55   5.358  -6.532  -5.216
  424    HD2  PHE  55           HD2      PHE  55   4.730  -3.792  -1.978
  425    HE1  PHE  55           HE1      PHE  55   4.604  -8.401  -3.787
  426    HE2  PHE  55           HE2      PHE  55   3.978  -5.666  -0.557
  427    HZ   PHE  55           HZ       PHE  55   3.904  -7.970  -1.456
  428    H    CYS  56           HN       CYS  56   2.658  -3.243  -4.826
  429    HA   CYS  56           HA       CYS  56   1.353  -5.720  -4.484
  430   1HB   CYS  56          HB2       CYS  56   0.378  -2.900  -4.808
  431   2HB   CYS  56          HB1       CYS  56  -0.786  -4.224  -4.728
  432    HG   CYS  56           HG       CYS  56   0.899  -3.201  -2.386
  433    H    THR  57           HN       THR  57   1.354  -3.562  -7.304
  434    HA   THR  57           HA       THR  57  -0.582  -5.027  -8.822
  435    HB   THR  57           HB       THR  57   1.800  -3.487  -9.889
  436    HG1  THR  57           HG1      THR  57  -0.741  -2.680  -8.955
  437   1HG2  THR  57          HG21      THR  57   0.319  -3.124 -11.829
  438   2HG2  THR  57          HG22      THR  57  -0.927  -4.108 -11.060
  439   3HG2  THR  57          HG23      THR  57   0.599  -4.843 -11.555
  440    H    PHE  58           HN       PHE  58   2.870  -5.454  -8.322
  441    HA   PHE  58           HA       PHE  58   3.266  -7.388 -10.418
  442   1HB   PHE  58          HB2       PHE  58   4.963  -5.977  -8.933
  443   2HB   PHE  58          HB1       PHE  58   4.945  -7.441  -7.949
  444    HD1  PHE  58           HD1      PHE  58   6.530  -5.866 -10.648
  445    HD2  PHE  58           HD2      PHE  58   5.063  -9.704  -9.399
  446    HE1  PHE  58           HE1      PHE  58   8.051  -6.972 -12.264
  447    HE2  PHE  58           HE2      PHE  58   6.584 -10.810 -11.016
  448    HZ   PHE  58           HZ       PHE  58   8.078  -9.445 -12.447
  449    H    MET  59           HN       MET  59   2.243  -7.683  -7.030
  450    HA   MET  59           HA       MET  59   2.470 -10.613  -7.187
  451   1HB   MET  59          HB2       MET  59   1.850  -8.677  -5.038
  452   2HB   MET  59          HB1       MET  59   1.356 -10.349  -4.831
  453   1HG   MET  59          HG2       MET  59   4.168  -9.409  -5.462
  454   2HG   MET  59          HG1       MET  59   3.604  -9.960  -3.885
  455   1HE   MET  59          HE1       MET  59   5.558 -11.965  -3.801
  456   2HE   MET  59          HE2       MET  59   6.023 -10.907  -5.131
  457   3HE   MET  59          HE3       MET  59   6.041 -12.654  -5.358
  458    H    GLU  60           HN       GLU  60   0.270  -8.605  -8.446
  459    HA   GLU  60           HA       GLU  60  -1.847  -9.144  -9.351
  460   1HB   GLU  60          HB2       GLU  60  -0.943 -11.614  -8.696
  461   2HB   GLU  60          HB1       GLU  60  -2.317 -11.484  -7.599
  462   1HG   GLU  60          HG2       GLU  60  -3.211 -12.401  -9.607
  463   2HG   GLU  60          HG1       GLU  60  -3.670 -10.698  -9.631
  464    H    HIS  61           HN       HIS  61  -1.319  -7.611  -6.835
  465    HA   HIS  61           HA       HIS  61  -3.801  -8.079  -5.299
  466   1HB   HIS  61          HB2       HIS  61  -1.581  -6.054  -4.857
  467   2HB   HIS  61          HB1       HIS  61  -2.860  -6.479  -3.726
  468    HD1  HIS  61           HD1      HIS  61  -2.253  -9.580  -5.081
  469    HD2  HIS  61           HD2      HIS  61   0.041  -7.188  -2.557
  470    HE1  HIS  61           HE1      HIS  61  -0.600 -11.116  -3.954
  471    H    GLU  62           HN       GLU  62  -4.928  -5.821  -4.712
  472    HA   GLU  62           HA       GLU  62  -5.107  -4.311  -7.289
  473   1HB   GLU  62          HB2       GLU  62  -7.173  -5.346  -5.433
  474   2HB   GLU  62          HB1       GLU  62  -7.493  -3.808  -6.212
  475   1HG   GLU  62          HG2       GLU  62  -7.520  -4.744  -8.346
  476   2HG   GLU  62          HG1       GLU  62  -6.504  -6.105  -7.872
  477    H    LEU  63           HN       LEU  63  -5.053  -2.155  -7.200
  478    HA   LEU  63           HA       LEU  63  -4.367  -0.841  -4.648
  479   1HB   LEU  63          HB2       LEU  63  -3.099   0.080  -6.411
  480   2HB   LEU  63          HB1       LEU  63  -4.432  -0.036  -7.555
  481    HG   LEU  63           HG       LEU  63  -5.613   1.758  -6.178
  482   1HD1  LEU  63          HD11      LEU  63  -3.233   1.354  -4.574
  483   2HD1  LEU  63          HD12      LEU  63  -4.672   2.305  -4.205
  484   3HD1  LEU  63          HD13      LEU  63  -3.342   3.032  -5.107
  485   1HD2  LEU  63          HD21      LEU  63  -4.801   3.242  -7.682
  486   2HD2  LEU  63          HD22      LEU  63  -3.766   1.926  -8.236
  487   3HD2  LEU  63          HD23      LEU  63  -3.158   3.092  -7.061
  488    H    VAL  64           HN       VAL  64  -6.281  -0.780  -3.397
  489    HA   VAL  64           HA       VAL  64  -8.826  -0.440  -4.636
  490    HB   VAL  64           HB       VAL  64  -7.862  -0.315  -1.776
  491   1HG1  VAL  64          HG11      VAL  64  -9.912   0.897  -1.833
  492   2HG1  VAL  64          HG12      VAL  64 -10.333  -0.744  -1.341
  493   3HG1  VAL  64          HG13      VAL  64 -10.611  -0.222  -3.001
  494   1HG2  VAL  64          HG21      VAL  64  -8.110  -2.421  -3.549
  495   2HG2  VAL  64          HG22      VAL  64  -9.646  -2.454  -2.683
  496   3HG2  VAL  64          HG23      VAL  64  -8.129  -2.558  -1.791
  497    H    ALA  65           HN       ALA  65  -6.820   1.875  -2.671
  498    HA   ALA  65           HA       ALA  65  -8.146   4.023  -4.262
  499   1HB   ALA  65          HB1       ALA  65  -8.586   3.522  -1.381
  500   2HB   ALA  65          HB2       ALA  65  -9.602   4.369  -2.547
  501   3HB   ALA  65          HB3       ALA  65  -8.232   5.197  -1.807
  502    H    LYS  66           HN       LYS  66  -6.591   5.593  -4.814
  503    HA   LYS  66           HA       LYS  66  -4.031   5.397  -3.360
  504   1HB   LYS  66          HB2       LYS  66  -4.422   7.127  -5.740
  505   2HB   LYS  66          HB1       LYS  66  -3.006   6.191  -5.260
  506   1HG   LYS  66          HG2       LYS  66  -3.769   4.845  -6.899
  507   2HG   LYS  66          HG1       LYS  66  -4.735   4.191  -5.605
  508   1HD   LYS  66          HD2       LYS  66  -6.530   4.644  -6.903
  509   2HD   LYS  66          HD1       LYS  66  -6.235   6.340  -6.514
  510   1HE   LYS  66          HE2       LYS  66  -4.419   5.907  -8.527
  511   2HE   LYS  66          HE1       LYS  66  -5.764   4.883  -9.030
  512   1HZ   LYS  66          HZ1       LYS  66  -7.242   6.721  -8.934
  513   2HZ   LYS  66          HZ2       LYS  66  -5.884   7.221  -9.825
  514   3HZ   LYS  66          HZ3       LYS  66  -6.074   7.717  -8.212
  515    H    GLU  67           HN       GLU  67  -2.906   7.356  -2.872
  516    HA   GLU  67           HA       GLU  67  -4.602   9.748  -2.478
  517   1HB   GLU  67          HB2       GLU  67  -3.286   8.101  -0.430
  518   2HB   GLU  67          HB1       GLU  67  -3.223   9.824  -0.205
  519   1HG   GLU  67          HG2       GLU  67  -5.825   8.494  -0.891
  520   2HG   GLU  67          HG1       GLU  67  -5.251   8.495   0.778
  521    H    THR  68           HN       THR  68  -3.531  11.250  -3.648
  522    HA   THR  68           HA       THR  68  -0.601  11.596  -3.178
  523    HB   THR  68           HB       THR  68  -0.098  11.689  -5.476
  524    HG1  THR  68           HG1      THR  68  -1.514  12.286  -6.953
  525   1HG2  THR  68          HG21      THR  68  -2.275   9.611  -5.126
  526   2HG2  THR  68          HG22      THR  68  -0.548   9.386  -4.846
  527   3HG2  THR  68          HG23      THR  68  -1.150   9.649  -6.483
  528    H    ASP  69           HN       ASP  69  -3.046  12.925  -2.206
  529    HA   ASP  69           HA       ASP  69  -3.256  15.450  -3.658
  530   1HB   ASP  69          HB2       ASP  69  -4.215  14.735  -0.882
  531   2HB   ASP  69          HB1       ASP  69  -4.739  16.128  -1.831
  532    H    GLY  70           HN       GLY  70  -0.815  14.294  -1.953
  533   1HA   GLY  70          HA2       GLY  70   0.997  16.070  -1.715
  534   2HA   GLY  70          HA1       GLY  70  -0.134  16.820  -0.620
  535    H    LEU  71           HN       LEU  71   2.476  15.143  -0.621
  536    HA   LEU  71           HA       LEU  71   2.490  12.878   0.826
  537   1HB   LEU  71          HB2       LEU  71   4.161  15.319   1.441
  538   2HB   LEU  71          HB1       LEU  71   4.476  13.723   2.088
  539    HG   LEU  71           HG       LEU  71   4.121  13.917  -0.829
  540   1HD1  LEU  71          HD11      LEU  71   6.680  14.745   0.565
  541   2HD1  LEU  71          HD12      LEU  71   5.588  15.858  -0.260
  542   3HD1  LEU  71          HD13      LEU  71   6.439  14.615  -1.177
  543   1HD2  LEU  71          HD21      LEU  71   5.823  12.358   1.114
  544   2HD2  LEU  71          HD22      LEU  71   6.066  12.263  -0.631
  545   3HD2  LEU  71          HD23      LEU  71   4.533  11.752   0.076
  546    HA   PRO  72           HA       PRO  72   3.359  11.888   2.297
  547   1HB   PRO  72          HB2       PRO  72   2.361   9.916   3.893
  548   2HB   PRO  72          HB1       PRO  72   3.587  11.069   4.456
  549   1HG   PRO  72          HG2       PRO  72   0.676  10.972   5.055
  550   2HG   PRO  72          HG1       PRO  72   1.996  11.581   6.071
  551   1HD   PRO  72          HD2       PRO  72   0.215  13.174   4.562
  552   2HD   PRO  72          HD1       PRO  72   1.770  13.721   5.232
  553    H    TYR  73           HN       TYR  73   2.809  10.216   0.864
  554    HA   TYR  73           HA       TYR  73   0.211  10.266  -0.356
  555   1HB   TYR  73          HB2       TYR  73   2.117   8.024  -0.705
  556   2HB   TYR  73          HB1       TYR  73   1.028   8.730  -1.890
  557    HD1  TYR  73           HD1      TYR  73   4.260   8.695  -0.481
  558    HD2  TYR  73           HD2      TYR  73   1.535  11.121  -2.694
  559    HE1  TYR  73           HE1      TYR  73   6.169  10.027  -1.313
  560    HE2  TYR  73           HE2      TYR  73   3.406  12.512  -3.511
  561    HH   TYR  73           HH       TYR  73   5.996  12.948  -2.414
  562    H    ARG  74           HN       ARG  74  -1.160   8.277  -0.622
  563    HA   ARG  74           HA       ARG  74  -0.710   6.187   1.351
  564   1HB   ARG  74          HB2       ARG  74  -3.020   8.087   1.447
  565   2HB   ARG  74          HB1       ARG  74  -3.235   6.401   1.932
  566   1HG   ARG  74          HG2       ARG  74  -1.888   6.577   3.734
  567   2HG   ARG  74          HG1       ARG  74  -0.868   7.786   2.998
  568   1HD   ARG  74          HD2       ARG  74  -1.984   9.395   4.115
  569   2HD   ARG  74          HD1       ARG  74  -3.458   8.929   3.266
  570    HE   ARG  74           HE       ARG  74  -3.164   7.065   5.338
  571   1HH1  ARG  74          HH21      ARG  74  -4.431  10.115   4.651
  572   2HH1  ARG  74          HH22      ARG  74  -4.797  10.520   6.295
  573   1HH2  ARG  74          HH11      ARG  74  -3.211   7.733   7.614
  574   2HH2  ARG  74          HH12      ARG  74  -4.107   9.171   7.971
  575    H    TYR  75           HN       TYR  75  -1.879   4.299   0.803
  576    HA   TYR  75           HA       TYR  75  -3.422   4.361  -1.676
  577   1HB   TYR  75          HB2       TYR  75  -1.223   2.395  -1.667
  578   2HB   TYR  75          HB1       TYR  75  -2.009   3.200  -3.025
  579    HD1  TYR  75           HD1      TYR  75  -1.520   5.765  -3.299
  580    HD2  TYR  75           HD2      TYR  75   0.748   3.114  -0.875
  581    HE1  TYR  75           HE1      TYR  75   0.406   7.325  -3.437
  582    HE2  TYR  75           HE2      TYR  75   2.705   4.656  -0.977
  583    HH   TYR  75           HH       TYR  75   3.335   6.776  -1.544
  584    H    LEU  76           HN       LEU  76  -5.093   2.917  -1.326
  585    HA   LEU  76           HA       LEU  76  -4.711   0.993   0.777
  586   1HB   LEU  76          HB2       LEU  76  -6.891   2.104   0.649
  587   2HB   LEU  76          HB1       LEU  76  -7.127   1.473  -0.963
  588    HG   LEU  76           HG       LEU  76  -6.704  -0.832   0.083
  589   1HD1  LEU  76          HD11      LEU  76  -7.820   0.011   2.613
  590   2HD1  LEU  76          HD12      LEU  76  -6.254   0.772   2.332
  591   3HD1  LEU  76          HD13      LEU  76  -6.399  -0.985   2.298
  592   1HD2  LEU  76          HD21      LEU  76  -9.195  -0.101   1.252
  593   2HD2  LEU  76          HD22      LEU  76  -8.882  -0.973  -0.249
  594   3HD2  LEU  76          HD23      LEU  76  -8.972   0.789  -0.253
  595    H    ILE  77           HN       ILE  77  -4.862  -1.370   0.224
  596    HA   ILE  77           HA       ILE  77  -4.952  -1.911  -2.670
  597    HB   ILE  77           HB       ILE  77  -2.755  -2.926  -0.860
  598   1HG1  ILE  77          HG12      ILE  77  -2.958  -0.545  -2.687
  599   2HG1  ILE  77          HG11      ILE  77  -2.314  -0.627  -1.053
  600   1HG2  ILE  77          HG21      ILE  77  -2.087  -4.203  -2.615
  601   2HG2  ILE  77          HG22      ILE  77  -2.347  -2.893  -3.767
  602   3HG2  ILE  77          HG23      ILE  77  -3.695  -3.917  -3.275
  603   1HD1  ILE  77          HD11      ILE  77  -1.008  -2.032  -3.397
  604   2HD1  ILE  77          HD12      ILE  77  -0.334  -1.755  -1.790
  605   3HD1  ILE  77          HD13      ILE  77  -0.575  -0.400  -2.891
  606    H    ARG  78           HN       ARG  78  -6.687  -3.298  -2.728
  607    HA   ARG  78           HA       ARG  78  -7.262  -5.100  -0.520
  608   1HB   ARG  78          HB2       ARG  78  -9.067  -4.307  -1.968
  609   2HB   ARG  78          HB1       ARG  78  -8.302  -5.058  -3.369
  610   1HG   ARG  78          HG2       ARG  78  -8.436  -7.246  -1.925
  611   2HG   ARG  78          HG1       ARG  78  -9.683  -6.363  -1.041
  612   1HD   ARG  78          HD2       ARG  78 -10.316  -5.892  -3.709
  613   2HD   ARG  78          HD1       ARG  78  -9.808  -7.580  -3.694
  614    HE   ARG  78           HE       ARG  78 -11.499  -7.544  -1.578
  615   1HH1  ARG  78          HH21      ARG  78 -12.477  -8.707  -4.116
  616   2HH1  ARG  78          HH22      ARG  78 -13.860  -7.730  -4.478
  617   1HH2  ARG  78          HH11      ARG  78 -12.961  -5.182  -2.306
  618   2HH2  ARG  78          HH12      ARG  78 -14.134  -5.734  -3.455
  619    H    LYS  79           HN       LYS  79  -5.895  -6.778  -0.094
  620    HA   LYS  79           HA       LYS  79  -4.063  -7.950  -1.946
  621   1HB   LYS  79          HB2       LYS  79  -4.124  -8.138   0.632
  622   2HB   LYS  79          HB1       LYS  79  -5.257  -9.463   0.373
  623   1HG   LYS  79          HG2       LYS  79  -2.676  -9.410  -1.160
  624   2HG   LYS  79          HG1       LYS  79  -2.674  -9.963   0.516
  625   1HD   LYS  79          HD2       LYS  79  -4.555 -11.540  -0.106
  626   2HD   LYS  79          HD1       LYS  79  -4.274 -11.100  -1.791
  627   1HE   LYS  79          HE2       LYS  79  -1.961 -11.886  -1.640
  628   2HE   LYS  79          HE1       LYS  79  -2.176 -12.256   0.070
  629   1HZ   LYS  79          HZ1       LYS  79  -3.275 -14.132  -0.394
  630   2HZ   LYS  79          HZ2       LYS  79  -2.569 -14.001  -1.934
  631   3HZ   LYS  79          HZ3       LYS  79  -4.151 -13.439  -1.670
  632    H    GLY  80           HN       GLY  80  -4.364  -9.504  -3.479
  633   1HA   GLY  80          HA2       GLY  80  -6.348 -11.542  -3.415
  634   2HA   GLY  80          HA1       GLY  80  -6.967 -10.199  -4.379
  635    H    GLY  81           HN       GLY  81  -6.787 -12.095  -6.020
  636   1HA   GLY  81          HA2       GLY  81  -4.431 -11.579  -7.666
  637   2HA   GLY  81          HA1       GLY  81  -4.492 -13.224  -7.030
  Start of MODEL   10
    1   1H    MET   1          HT1       MET   1 -19.611   9.417  -3.940
    2   2H    MET   1          HT2       MET   1 -20.142   8.170  -2.915
    3   3H    MET   1          HT3       MET   1 -18.527   8.210  -3.443
    4    HA   MET   1           HA       MET   1 -18.241  10.350  -2.252
    5   1HB   MET   1          HB2       MET   1 -19.932  11.025  -0.666
    6   2HB   MET   1          HB1       MET   1 -20.724  10.826  -2.230
    7   1HG   MET   1          HG2       MET   1 -20.744   8.288  -0.936
    8   2HG   MET   1          HG1       MET   1 -21.303   9.483   0.235
    9   1HE   MET   1          HE1       MET   1 -23.410   7.479  -0.306
   10   2HE   MET   1          HE2       MET   1 -22.482   6.971  -1.714
   11   3HE   MET   1          HE3       MET   1 -24.174   7.425  -1.901
   12    H    THR   2           HN       THR   2 -19.005   7.062  -1.811
   13    HA   THR   2           HA       THR   2 -18.196   6.867   0.983
   14    HB   THR   2           HB       THR   2 -18.292   4.649  -1.078
   15    HG1  THR   2           HG1      THR   2 -20.421   4.464  -0.609
   16   1HG2  THR   2          HG21      THR   2 -17.874   4.832   1.820
   17   2HG2  THR   2          HG22      THR   2 -17.514   3.507   0.714
   18   3HG2  THR   2          HG23      THR   2 -19.142   3.692   1.368
   19    H    ASP   3           HN       ASP   3 -16.119   6.921   1.679
   20    HA   ASP   3           HA       ASP   3 -13.913   6.991  -0.210
   21   1HB   ASP   3          HB2       ASP   3 -14.336   7.608   2.568
   22   2HB   ASP   3          HB1       ASP   3 -12.929   6.554   2.418
   23    H    LEU   4           HN       LEU   4 -12.510   5.340  -0.743
   24    HA   LEU   4           HA       LEU   4 -13.315   2.616  -0.002
   25   1HB   LEU   4          HB2       LEU   4 -11.273   3.794  -1.882
   26   2HB   LEU   4          HB1       LEU   4 -11.259   2.072  -1.497
   27    HG   LEU   4           HG       LEU   4 -13.790   3.446  -2.392
   28   1HD1  LEU   4          HD11      LEU   4 -12.011   3.838  -4.096
   29   2HD1  LEU   4          HD12      LEU   4 -13.283   2.770  -4.685
   30   3HD1  LEU   4          HD13      LEU   4 -11.735   2.098  -4.171
   31   1HD2  LEU   4          HD21      LEU   4 -14.338   1.328  -1.612
   32   2HD2  LEU   4          HD22      LEU   4 -12.773   0.646  -2.055
   33   3HD2  LEU   4          HD23      LEU   4 -13.983   0.959  -3.299
   34    H    PHE   5           HN       PHE   5 -11.288   4.957   1.324
   35    HA   PHE   5           HA       PHE   5  -9.270   3.077   2.342
   36   1HB   PHE   5          HB2       PHE   5  -9.714   6.024   2.452
   37   2HB   PHE   5          HB1       PHE   5  -8.775   5.293   3.753
   38    HD1  PHE   5           HD1      PHE   5  -6.794   6.576   2.928
   39    HD2  PHE   5           HD2      PHE   5  -8.741   3.611   0.520
   40    HE1  PHE   5           HE1      PHE   5  -4.826   6.445   1.438
   41    HE2  PHE   5           HE2      PHE   5  -6.741   3.506  -0.938
   42    HZ   PHE   5           HZ       PHE   5  -4.791   4.976  -0.508
   43    H    SER   6           HN       SER   6 -12.318   3.128   3.049
   44    HA   SER   6           HA       SER   6 -12.791   3.815   5.701
   45   1HB   SER   6          HB2       SER   6 -13.640   1.218   4.383
   46   2HB   SER   6          HB1       SER   6 -14.397   1.960   5.789
   47    HG   SER   6           HG       SER   6 -14.370   2.794   3.100
   48    H    SER   7           HN       SER   7 -12.947   2.054   7.570
   49    HA   SER   7           HA       SER   7 -10.398   1.450   8.491
   50   1HB   SER   7          HB2       SER   7 -11.525  -0.387   9.842
   51   2HB   SER   7          HB1       SER   7 -12.257   1.208   9.985
   52    HG   SER   7           HG       SER   7 -13.994   0.455   9.075
   53    HA   PRO   8           HA       PRO   8  -9.462  -1.640   5.333
   54   1HB   PRO   8          HB2       PRO   8  -6.746  -1.446   5.666
   55   2HB   PRO   8          HB1       PRO   8  -7.692  -0.352   4.648
   56   1HG   PRO   8          HG2       PRO   8  -6.511   0.148   7.345
   57   2HG   PRO   8          HG1       PRO   8  -6.857   1.296   6.040
   58   1HD   PRO   8          HD2       PRO   8  -8.432   0.916   8.348
   59   2HD   PRO   8          HD1       PRO   8  -8.946   1.759   6.872
   60    H    ASP   9           HN       ASP   9  -8.262  -3.743   5.483
   61    HA   ASP   9           HA       ASP   9  -8.662  -4.949   8.117
   62   1HB   ASP   9          HB2       ASP   9  -7.560  -6.077   5.525
   63   2HB   ASP   9          HB1       ASP   9  -7.877  -7.031   6.974
   64    H    HIS  10           HN       HIS  10  -5.999  -3.630   6.307
   65    HA   HIS  10           HA       HIS  10  -4.208  -4.242   8.597
   66   1HB   HIS  10          HB2       HIS  10  -3.814  -5.043   5.722
   67   2HB   HIS  10          HB1       HIS  10  -2.426  -4.726   6.757
   68    HD1  HIS  10           HD1      HIS  10  -1.677  -6.641   8.191
   69    HD2  HIS  10           HD2      HIS  10  -5.631  -7.084   6.946
   70    HE1  HIS  10           HE1      HIS  10  -2.434  -8.915   9.012
   71    H    THR  11           HN       THR  11  -2.026  -2.970   8.172
   72    HA   THR  11           HA       THR  11  -2.478  -0.511   6.583
   73    HB   THR  11           HB       THR  11  -1.705  -0.472   9.500
   74    HG1  THR  11           HG1      THR  11  -3.845  -0.884   9.455
   75   1HG2  THR  11          HG21      THR  11  -2.332   1.748   7.537
   76   2HG2  THR  11          HG22      THR  11  -0.735   1.355   8.172
   77   3HG2  THR  11          HG23      THR  11  -1.985   1.975   9.251
   78    H    LEU  12           HN       LEU  12  -0.433   0.736   6.365
   79    HA   LEU  12           HA       LEU  12   2.045  -0.689   7.141
   80   1HB   LEU  12          HB2       LEU  12   1.721  -1.685   4.996
   81   2HB   LEU  12          HB1       LEU  12   1.198  -0.159   4.297
   82    HG   LEU  12           HG       LEU  12   3.421   0.753   4.290
   83   1HD1  LEU  12          HD11      LEU  12   5.264  -0.685   5.470
   84   2HD1  LEU  12          HD12      LEU  12   3.917  -1.389   6.365
   85   3HD1  LEU  12          HD13      LEU  12   4.233   0.341   6.460
   86   1HD2  LEU  12          HD21      LEU  12   3.455  -0.799   2.541
   87   2HD2  LEU  12          HD22      LEU  12   3.345  -2.185   3.627
   88   3HD2  LEU  12          HD23      LEU  12   4.855  -1.287   3.490
   89    H    ASP  13           HN       ASP  13   3.023   0.999   8.200
   90    HA   ASP  13           HA       ASP  13   2.724   3.756   7.281
   91   1HB   ASP  13          HB2       ASP  13   3.166   3.073   9.696
   92   2HB   ASP  13          HB1       ASP  13   4.808   2.662   9.197
   93    H    ALA  14           HN       ALA  14   4.198   4.862   5.904
   94    HA   ALA  14           HA       ALA  14   6.712   3.427   5.280
   95   1HB   ALA  14          HB1       ALA  14   5.400   4.421   2.859
   96   2HB   ALA  14          HB2       ALA  14   4.572   3.067   3.630
   97   3HB   ALA  14          HB3       ALA  14   6.259   2.908   3.145
   98    H    LEU  15           HN       LEU  15   5.591   5.841   6.556
   99    HA   LEU  15           HA       LEU  15   6.734   8.107   5.141
  100   1HB   LEU  15          HB2       LEU  15   6.027   8.146   8.036
  101   2HB   LEU  15          HB1       LEU  15   5.800   9.361   6.791
  102    HG   LEU  15           HG       LEU  15   4.201   6.824   7.114
  103   1HD1  LEU  15          HD11      LEU  15   2.618   8.080   8.105
  104   2HD1  LEU  15          HD12      LEU  15   2.821   9.396   6.949
  105   3HD1  LEU  15          HD13      LEU  15   3.893   9.274   8.344
  106   1HD2  LEU  15          HD21      LEU  15   3.134   7.296   5.090
  107   2HD2  LEU  15          HD22      LEU  15   4.804   7.693   4.715
  108   3HD2  LEU  15          HD23      LEU  15   3.655   8.975   5.087
  109    H    GLY  16           HN       GLY  16   8.855   7.950   5.001
  110   1HA   GLY  16          HA2       GLY  16  11.046   8.316   6.029
  111   2HA   GLY  16          HA1       GLY  16  10.441   7.513   7.487
  112    H    LEU  17           HN       LEU  17   9.120   5.782   5.089
  113    HA   LEU  17           HA       LEU  17  11.203   3.695   5.175
  114   1HB   LEU  17          HB2       LEU  17   8.334   3.710   4.184
  115   2HB   LEU  17          HB1       LEU  17   9.408   2.322   4.066
  116    HG   LEU  17           HG       LEU  17   8.088   3.508   6.458
  117   1HD1  LEU  17          HD11      LEU  17   8.951   0.665   6.101
  118   2HD1  LEU  17          HD12      LEU  17   7.682   1.278   5.041
  119   3HD1  LEU  17          HD13      LEU  17   7.457   1.297   6.791
  120   1HD2  LEU  17          HD21      LEU  17   9.770   2.273   7.878
  121   2HD2  LEU  17          HD22      LEU  17  10.382   3.743   7.117
  122   3HD2  LEU  17          HD23      LEU  17  10.793   2.164   6.446
  123    H    ARG  18           HN       ARG  18  12.048   2.891   3.204
  124    HA   ARG  18           HA       ARG  18  11.142   4.326   0.785
  125   1HB   ARG  18          HB2       ARG  18  13.649   4.652   0.211
  126   2HB   ARG  18          HB1       ARG  18  12.847   5.758   1.329
  127   1HG   ARG  18          HG2       ARG  18  13.951   3.412   2.680
  128   2HG   ARG  18          HG1       ARG  18  15.189   4.363   1.859
  129   1HD   ARG  18          HD2       ARG  18  13.778   6.367   2.988
  130   2HD   ARG  18          HD1       ARG  18  13.461   5.093   4.166
  131    HE   ARG  18           HE       ARG  18  15.920   6.506   3.935
  132   1HH1  ARG  18          HH11      ARG  18  16.957   4.008   2.798
  133   2HH1  ARG  18          HH12      ARG  18  17.347   3.065   4.199
  134   1HH2  ARG  18          HH21      ARG  18  15.433   4.992   6.356
  135   2HH2  ARG  18          HH22      ARG  18  16.485   3.623   6.213
  136    H    CYS  19           HN       CYS  19  11.541   3.184  -1.109
  137    HA   CYS  19           HA       CYS  19  11.412   0.399  -1.014
  138   1HB   CYS  19          HB2       CYS  19  10.953   1.468  -3.080
  139   2HB   CYS  19          HB1       CYS  19  12.551   2.206  -3.150
  140    HG   CYS  19           HG       CYS  19  13.504  -0.306  -3.422
  141    HA   PRO  20           HA       PRO  20  11.836  -1.370  -1.710
  142   1HB   PRO  20          HB2       PRO  20  12.751  -3.776  -0.797
  143   2HB   PRO  20          HB1       PRO  20  13.242  -3.095  -2.358
  144   1HG   PRO  20          HG2       PRO  20  14.807  -3.316   0.165
  145   2HG   PRO  20          HG1       PRO  20  15.386  -3.200  -1.502
  146   1HD   PRO  20          HD2       PRO  20  15.280  -1.100   0.428
  147   2HD   PRO  20          HD1       PRO  20  15.696  -0.949  -1.292
  148    H    GLU  21           HN       GLU  21  12.973  -0.447   1.269
  149    HA   GLU  21           HA       GLU  21  11.977  -2.207   3.165
  150   1HB   GLU  21          HB2       GLU  21  12.241   0.747   3.217
  151   2HB   GLU  21          HB1       GLU  21  11.639  -0.120   4.621
  152   1HG   GLU  21          HG2       GLU  21  13.662  -1.358   4.844
  153   2HG   GLU  21          HG1       GLU  21  14.219  -0.880   3.240
  154    HA   PRO  22           HA       PRO  22   7.714  -0.126   3.264
  155   1HB   PRO  22          HB2       PRO  22   7.015   1.215   0.969
  156   2HB   PRO  22          HB1       PRO  22   7.707   1.996   2.386
  157   1HG   PRO  22          HG2       PRO  22   9.001   1.339  -0.216
  158   2HG   PRO  22          HG1       PRO  22   9.373   2.647   0.922
  159   1HD   PRO  22          HD2       PRO  22  10.838   0.283   0.668
  160   2HD   PRO  22          HD1       PRO  22  10.895   1.351   2.077
  161    H    VAL  23           HN       VAL  23   8.468  -0.578  -0.159
  162    HA   VAL  23           HA       VAL  23   6.350  -2.246  -0.916
  163    HB   VAL  23           HB       VAL  23   9.284  -2.418  -1.653
  164   1HG1  VAL  23          HG11      VAL  23   8.134  -3.461  -3.793
  165   2HG1  VAL  23          HG12      VAL  23   6.857  -3.870  -2.647
  166   3HG1  VAL  23          HG13      VAL  23   8.494  -4.474  -2.395
  167   1HG2  VAL  23          HG21      VAL  23   8.896  -0.672  -3.037
  168   2HG2  VAL  23          HG22      VAL  23   7.362  -0.452  -2.193
  169   3HG2  VAL  23          HG23      VAL  23   7.428  -1.420  -3.666
  170    H    MET  24           HN       MET  24   9.112  -2.881   1.150
  171    HA   MET  24           HA       MET  24   8.850  -5.785   1.087
  172   1HB   MET  24          HB2       MET  24  10.382  -3.797   2.721
  173   2HB   MET  24          HB1       MET  24  10.217  -5.444   3.329
  174   1HG   MET  24          HG2       MET  24  10.851  -5.692   0.589
  175   2HG   MET  24          HG1       MET  24  11.936  -4.457   1.228
  176   1HE   MET  24          HE1       MET  24  14.363  -7.269   1.291
  177   2HE   MET  24          HE2       MET  24  14.397  -5.565   1.735
  178   3HE   MET  24          HE3       MET  24  13.525  -6.074   0.291
  179    H    MET  25           HN       MET  25   7.776  -3.217   3.303
  180    HA   MET  25           HA       MET  25   6.651  -4.918   5.283
  181   1HB   MET  25          HB2       MET  25   6.233  -2.082   4.429
  182   2HB   MET  25          HB1       MET  25   5.033  -2.809   5.500
  183   1HG   MET  25          HG2       MET  25   8.020  -2.752   6.024
  184   2HG   MET  25          HG1       MET  25   6.842  -1.674   6.772
  185   1HE   MET  25          HE1       MET  25   8.805  -4.730   8.261
  186   2HE   MET  25          HE2       MET  25   8.685  -4.540   6.515
  187   3HE   MET  25          HE3       MET  25   7.918  -5.919   7.298
  188    H    VAL  26           HN       VAL  26   5.226  -3.521   2.323
  189    HA   VAL  26           HA       VAL  26   2.606  -4.633   2.733
  190    HB   VAL  26           HB       VAL  26   4.077  -3.990   0.161
  191   1HG1  VAL  26          HG11      VAL  26   1.730  -5.511   0.502
  192   2HG1  VAL  26          HG12      VAL  26   2.299  -4.781  -0.997
  193   3HG1  VAL  26          HG13      VAL  26   1.172  -3.906   0.038
  194   1HG2  VAL  26          HG21      VAL  26   2.384  -2.467   2.082
  195   2HG2  VAL  26          HG22      VAL  26   2.134  -2.144   0.367
  196   3HG2  VAL  26          HG23      VAL  26   3.728  -1.910   1.086
  197    H    ARG  27           HN       ARG  27   5.618  -5.962   1.576
  198    HA   ARG  27           HA       ARG  27   4.536  -8.297   0.291
  199   1HB   ARG  27          HB2       ARG  27   7.215  -7.597   1.449
  200   2HB   ARG  27          HB1       ARG  27   6.872  -9.264   0.970
  201   1HG   ARG  27          HG2       ARG  27   6.234  -7.024  -0.921
  202   2HG   ARG  27          HG1       ARG  27   7.897  -7.590  -0.780
  203   1HD   ARG  27          HD2       ARG  27   5.561  -9.451  -1.264
  204   2HD   ARG  27          HD1       ARG  27   6.525  -8.757  -2.568
  205    HE   ARG  27           HE       ARG  27   8.375  -9.920  -0.818
  206   1HH1  ARG  27          HH11      ARG  27   7.675 -10.714  -3.728
  207   2HH1  ARG  27          HH12      ARG  27   7.343 -12.400  -3.515
  208   1HH2  ARG  27          HH21      ARG  27   7.069 -12.183  -0.066
  209   2HH2  ARG  27          HH22      ARG  27   6.999 -13.232  -1.443
  210    H    LYS  28           HN       LYS  28   6.020  -7.939   3.487
  211    HA   LYS  28           HA       LYS  28   5.373 -10.548   4.441
  212   1HB   LYS  28          HB2       LYS  28   5.899  -7.934   5.877
  213   2HB   LYS  28          HB1       LYS  28   5.597  -9.441   6.744
  214   1HG   LYS  28          HG2       LYS  28   7.692  -9.307   4.582
  215   2HG   LYS  28          HG1       LYS  28   8.064  -8.798   6.230
  216   1HD   LYS  28          HD2       LYS  28   6.652 -11.390   6.000
  217   2HD   LYS  28          HD1       LYS  28   8.296 -11.369   5.360
  218   1HE   LYS  28          HE2       LYS  28   8.648 -10.014   7.699
  219   2HE   LYS  28          HE1       LYS  28   7.356 -11.123   8.156
  220   1HZ   LYS  28          HZ1       LYS  28  10.069 -11.743   7.186
  221   2HZ   LYS  28          HZ2       LYS  28   8.814 -12.874   7.006
  222   3HZ   LYS  28          HZ3       LYS  28   9.263 -12.339   8.555
  223    H    THR  29           HN       THR  29   3.659  -7.496   4.540
  224    HA   THR  29           HA       THR  29   1.407  -8.352   6.115
  225    HB   THR  29           HB       THR  29   2.169  -6.119   4.319
  226    HG1  THR  29           HG1      THR  29   2.329  -6.305   6.705
  227   1HG2  THR  29          HG21      THR  29  -0.023  -5.135   4.210
  228   2HG2  THR  29          HG22      THR  29  -0.716  -6.452   5.157
  229   3HG2  THR  29          HG23      THR  29  -0.120  -6.753   3.523
  230    H    VAL  30           HN       VAL  30   2.297  -8.377   2.756
  231    HA   VAL  30           HA       VAL  30  -0.235  -9.239   1.673
  232    HB   VAL  30           HB       VAL  30   2.640  -9.173   0.766
  233   1HG1  VAL  30          HG11      VAL  30   0.395 -10.724  -0.460
  234   2HG1  VAL  30          HG12      VAL  30   2.088 -11.176  -0.261
  235   3HG1  VAL  30          HG13      VAL  30   1.630  -9.996  -1.489
  236   1HG2  VAL  30          HG21      VAL  30   0.863  -7.234   0.657
  237   2HG2  VAL  30          HG22      VAL  30   0.265  -8.121  -0.746
  238   3HG2  VAL  30          HG23      VAL  30   1.923  -7.521  -0.723
  239    H    ARG  31           HN       ARG  31   2.524 -10.711   3.157
  240    HA   ARG  31           HA       ARG  31   1.883 -13.459   2.445
  241   1HB   ARG  31          HB2       ARG  31   3.682 -12.276   4.584
  242   2HB   ARG  31          HB1       ARG  31   3.589 -13.995   4.204
  243   1HG   ARG  31          HG2       ARG  31   4.229 -13.417   1.823
  244   2HG   ARG  31          HG1       ARG  31   4.523 -11.771   2.368
  245   1HD   ARG  31          HD2       ARG  31   6.471 -13.605   2.317
  246   2HD   ARG  31          HD1       ARG  31   6.413 -12.338   3.542
  247    HE   ARG  31           HE       ARG  31   5.268 -14.065   5.019
  248   1HH1  ARG  31          HH11      ARG  31   8.233 -14.626   4.394
  249   2HH1  ARG  31          HH12      ARG  31   8.175 -16.331   4.093
  250   1HH2  ARG  31          HH21      ARG  31   4.728 -16.419   3.730
  251   2HH2  ARG  31          HH22      ARG  31   6.191 -17.346   3.717
  252    H    ASN  32           HN       ASN  32   1.151 -11.196   5.039
  253    HA   ASN  32           HA       ASN  32  -0.268 -13.376   6.505
  254   1HB   ASN  32          HB2       ASN  32  -0.336 -11.866   8.405
  255   2HB   ASN  32          HB1       ASN  32   1.313 -11.919   7.785
  256   1HD2  ASN  32          HD21      ASN  32   1.727  -9.755   8.689
  257   2HD2  ASN  32          HD22      ASN  32   1.092  -8.367   7.944
  258    H    MET  33           HN       MET  33  -1.011 -11.487   4.036
  259    HA   MET  33           HA       MET  33  -3.621 -10.549   5.098
  260   1HB   MET  33          HB2       MET  33  -1.963  -9.879   2.709
  261   2HB   MET  33          HB1       MET  33  -3.714  -9.736   2.551
  262   1HG   MET  33          HG2       MET  33  -3.426  -8.519   4.918
  263   2HG   MET  33          HG1       MET  33  -1.835  -8.175   4.260
  264   1HE   MET  33          HE1       MET  33  -5.157  -8.650   2.075
  265   2HE   MET  33          HE2       MET  33  -5.889  -7.085   2.417
  266   3HE   MET  33          HE3       MET  33  -5.558  -8.202   3.738
  267    H    GLN  34           HN       GLN  34  -5.360 -10.788   3.171
  268    HA   GLN  34           HA       GLN  34  -5.266 -13.568   2.113
  269   1HB   GLN  34          HB2       GLN  34  -7.276 -12.383   4.003
  270   2HB   GLN  34          HB1       GLN  34  -7.824 -13.549   2.798
  271   1HG   GLN  34          HG2       GLN  34  -6.697 -15.294   3.770
  272   2HG   GLN  34          HG1       GLN  34  -5.367 -14.269   4.313
  273   1HE2  GLN  34          HE21      GLN  34  -8.915 -14.576   4.969
  274   2HE2  GLN  34          HE22      GLN  34  -8.764 -14.374   6.647
  275    HA   PRO  35           HA       PRO  35  -6.858 -11.633  -1.461
  276   1HB   PRO  35          HB2       PRO  35  -8.316 -13.711  -2.539
  277   2HB   PRO  35          HB1       PRO  35  -6.551 -13.585  -2.617
  278   1HG   PRO  35          HG2       PRO  35  -8.238 -15.314  -0.850
  279   2HG   PRO  35          HG1       PRO  35  -6.614 -15.617  -1.492
  280   1HD   PRO  35          HD2       PRO  35  -7.158 -14.788   1.126
  281   2HD   PRO  35          HD1       PRO  35  -5.588 -14.609   0.312
  282    H    GLY  36           HN       GLY  36  -8.440 -10.156  -1.454
  283   1HA   GLY  36          HA2       GLY  36 -10.810  -9.573  -1.650
  284   2HA   GLY  36          HA1       GLY  36 -11.188 -10.965  -0.628
  285    H    GLU  37           HN       GLU  37  -8.409  -9.202   0.310
  286    HA   GLU  37           HA       GLU  37  -9.968  -7.921   2.517
  287   1HB   GLU  37          HB2       GLU  37  -7.335  -9.332   2.420
  288   2HB   GLU  37          HB1       GLU  37  -7.501  -7.981   3.537
  289   1HG   GLU  37          HG2       GLU  37  -9.754  -9.176   4.194
  290   2HG   GLU  37          HG1       GLU  37  -8.971 -10.597   3.501
  291    H    THR  38           HN       THR  38  -8.280  -6.066   3.468
  292    HA   THR  38           HA       THR  38  -7.258  -4.554   1.116
  293    HB   THR  38           HB       THR  38  -8.293  -2.503   2.473
  294    HG1  THR  38           HG1      THR  38  -9.842  -3.066   3.771
  295   1HG2  THR  38          HG21      THR  38  -8.731  -3.520   0.088
  296   2HG2  THR  38          HG22      THR  38  -9.900  -2.401   0.789
  297   3HG2  THR  38          HG23      THR  38 -10.204  -4.138   0.837
  298    H    LEU  39           HN       LEU  39  -5.724  -2.888   1.671
  299    HA   LEU  39           HA       LEU  39  -4.627  -2.951   4.440
  300   1HB   LEU  39          HB2       LEU  39  -3.319  -4.647   3.372
  301   2HB   LEU  39          HB1       LEU  39  -3.149  -3.693   1.902
  302    HG   LEU  39           HG       LEU  39  -2.038  -1.957   3.614
  303   1HD1  LEU  39          HD11      LEU  39  -0.560  -3.568   5.094
  304   2HD1  LEU  39          HD12      LEU  39  -1.962  -4.628   4.952
  305   3HD1  LEU  39          HD13      LEU  39  -2.136  -3.024   5.662
  306   1HD2  LEU  39          HD21      LEU  39   0.172  -3.075   3.061
  307   2HD2  LEU  39          HD22      LEU  39  -0.876  -2.781   1.673
  308   3HD2  LEU  39          HD23      LEU  39  -0.759  -4.400   2.363
  309    H    LEU  40           HN       LEU  40  -4.473  -0.790   4.973
  310    HA   LEU  40           HA       LEU  40  -4.243   1.231   2.842
  311   1HB   LEU  40          HB2       LEU  40  -5.759   1.813   4.619
  312   2HB   LEU  40          HB1       LEU  40  -4.565   1.408   5.853
  313    HG   LEU  40           HG       LEU  40  -3.100   3.236   4.926
  314   1HD1  LEU  40          HD11      LEU  40  -5.579   4.216   3.518
  315   2HD1  LEU  40          HD12      LEU  40  -4.419   3.178   2.690
  316   3HD1  LEU  40          HD13      LEU  40  -3.910   4.749   3.309
  317   1HD2  LEU  40          HD21      LEU  40  -5.068   3.382   6.769
  318   2HD2  LEU  40          HD22      LEU  40  -5.672   4.568   5.612
  319   3HD2  LEU  40          HD23      LEU  40  -4.075   4.772   6.331
  320    H    ILE  41           HN       ILE  41  -2.382   2.560   2.604
  321    HA   ILE  41           HA       ILE  41  -0.036   1.869   4.310
  322    HB   ILE  41           HB       ILE  41   0.178   2.031   1.309
  323   1HG1  ILE  41          HG12      ILE  41  -0.706  -0.285   3.035
  324   2HG1  ILE  41          HG11      ILE  41  -1.367   0.274   1.510
  325   1HG2  ILE  41          HG21      ILE  41   1.998   1.767   3.459
  326   2HG2  ILE  41          HG22      ILE  41   2.349   1.635   1.735
  327   3HG2  ILE  41          HG23      ILE  41   1.943   0.196   2.664
  328   1HD1  ILE  41          HD11      ILE  41   1.290  -0.361   0.914
  329   2HD1  ILE  41          HD12      ILE  41  -0.140  -1.301   0.485
  330   3HD1  ILE  41          HD13      ILE  41   0.737  -1.659   1.971
  331    H    ILE  42           HN       ILE  42   0.996   3.776   4.935
  332    HA   ILE  42           HA       ILE  42   0.464   6.164   3.252
  333    HB   ILE  42           HB       ILE  42   1.870   6.227   5.910
  334   1HG1  ILE  42          HG12      ILE  42  -1.090   5.936   5.380
  335   2HG1  ILE  42          HG11      ILE  42  -0.083   5.014   6.501
  336   1HG2  ILE  42          HG21      ILE  42   1.061   8.127   3.985
  337   2HG2  ILE  42          HG22      ILE  42   1.673   8.458   5.601
  338   3HG2  ILE  42          HG23      ILE  42  -0.061   8.314   5.325
  339   1HD1  ILE  42          HD11      ILE  42   0.324   7.624   7.297
  340   2HD1  ILE  42          HD12      ILE  42  -0.766   6.474   8.075
  341   3HD1  ILE  42          HD13      ILE  42  -1.386   7.603   6.869
  342    H    ALA  43           HN       ALA  43   2.415   7.554   2.937
  343    HA   ALA  43           HA       ALA  43   5.024   6.315   3.240
  344   1HB   ALA  43          HB1       ALA  43   3.537   5.582   0.960
  345   2HB   ALA  43          HB2       ALA  43   5.260   5.323   1.229
  346   3HB   ALA  43          HB3       ALA  43   4.706   6.776   0.397
  347    H    ASP  44           HN       ASP  44   6.415   7.983   3.437
  348    HA   ASP  44           HA       ASP  44   5.560  10.573   2.251
  349   1HB   ASP  44          HB2       ASP  44   6.965  11.708   3.841
  350   2HB   ASP  44          HB1       ASP  44   5.972  10.575   4.746
  351    H    ASP  45           HN       ASP  45   7.845   7.994   2.314
  352    HA   ASP  45           HA       ASP  45   9.998   9.279   0.931
  353   1HB   ASP  45          HB2       ASP  45  10.480   7.191   1.815
  354   2HB   ASP  45          HB1       ASP  45   8.973   6.516   1.235
  355    HA   PRO  46           HA       PRO  46   7.955   9.954  -2.930
  356   1HB   PRO  46          HB2       PRO  46  10.201  10.415  -4.448
  357   2HB   PRO  46          HB1       PRO  46   9.516  11.604  -3.324
  358   1HG   PRO  46          HG2       PRO  46  11.964   9.927  -3.029
  359   2HG   PRO  46          HG1       PRO  46  11.578  11.490  -2.288
  360   1HD   PRO  46          HD2       PRO  46  11.421   8.966  -1.017
  361   2HD   PRO  46          HD1       PRO  46  10.740  10.481  -0.407
  362    H    ALA  47           HN       ALA  47  10.289   7.493  -2.421
  363    HA   ALA  47           HA       ALA  47   9.848   6.252  -5.072
  364   1HB   ALA  47          HB1       ALA  47  11.307   4.445  -3.562
  365   2HB   ALA  47          HB2       ALA  47  11.822   6.004  -2.919
  366   3HB   ALA  47          HB3       ALA  47  11.991   5.661  -4.641
  367    H    THR  48           HN       THR  48   8.198   6.299  -2.188
  368    HA   THR  48           HA       THR  48   7.460   3.446  -2.173
  369    HB   THR  48           HB       THR  48   5.770   4.319  -0.421
  370    HG1  THR  48           HG1      THR  48   5.891   6.497  -1.073
  371   1HG2  THR  48          HG21      THR  48   8.692   4.046  -0.283
  372   2HG2  THR  48          HG22      THR  48   7.442   3.337   0.736
  373   3HG2  THR  48          HG23      THR  48   7.997   4.978   1.042
  374    H    THR  49           HN       THR  49   5.963   6.567  -2.979
  375    HA   THR  49           HA       THR  49   3.364   5.651  -3.606
  376    HB   THR  49           HB       THR  49   3.025   7.691  -4.644
  377    HG1  THR  49           HG1      THR  49   4.081   7.847  -6.437
  378   1HG2  THR  49          HG21      THR  49   4.664   7.852  -2.506
  379   2HG2  THR  49          HG22      THR  49   4.081   9.270  -3.376
  380   3HG2  THR  49          HG23      THR  49   5.684   8.623  -3.719
  381    H    ARG  50           HN       ARG  50   6.368   5.467  -5.411
  382    HA   ARG  50           HA       ARG  50   4.920   4.321  -7.736
  383   1HB   ARG  50          HB2       ARG  50   7.756   5.216  -7.277
  384   2HB   ARG  50          HB1       ARG  50   7.291   4.317  -8.721
  385   1HG   ARG  50          HG2       ARG  50   6.414   6.169  -9.654
  386   2HG   ARG  50          HG1       ARG  50   5.397   6.444  -8.239
  387   1HD   ARG  50          HD2       ARG  50   7.668   7.283  -7.169
  388   2HD   ARG  50          HD1       ARG  50   8.123   7.530  -8.855
  389    HE   ARG  50           HE       ARG  50   5.634   8.725  -8.670
  390   1HH1  ARG  50          HH21      ARG  50   8.858   9.405  -8.027
  391   2HH1  ARG  50          HH22      ARG  50   8.557  10.851  -7.125
  392   1HH2  ARG  50          HH11      ARG  50   5.121  10.397  -7.036
  393   2HH2  ARG  50          HH12      ARG  50   6.441  11.412  -6.564
  394    H    ASP  51           HN       ASP  51   7.336   3.310  -5.347
  395    HA   ASP  51           HA       ASP  51   7.622   0.695  -6.623
  396   1HB   ASP  51          HB2       ASP  51   8.675   1.786  -4.002
  397   2HB   ASP  51          HB1       ASP  51   9.115   0.216  -4.683
  398    H    ILE  52           HN       ILE  52   6.231   1.780  -3.497
  399    HA   ILE  52           HA       ILE  52   5.551  -0.756  -2.524
  400    HB   ILE  52           HB       ILE  52   4.490   1.981  -2.099
  401   1HG1  ILE  52          HG12      ILE  52   5.557  -0.280  -0.412
  402   2HG1  ILE  52          HG11      ILE  52   6.325   1.269  -0.761
  403   1HG2  ILE  52          HG21      ILE  52   2.393   0.686  -2.270
  404   2HG2  ILE  52          HG22      ILE  52   2.700   1.150  -0.598
  405   3HG2  ILE  52          HG23      ILE  52   3.028  -0.499  -1.129
  406   1HD1  ILE  52          HD11      ILE  52   4.502   0.603   1.367
  407   2HD1  ILE  52          HD12      ILE  52   3.794   1.864   0.358
  408   3HD1  ILE  52          HD13      ILE  52   5.377   2.109   1.096
  409    HA   PRO  53           HA       PRO  53   1.448  -0.657  -4.857
  410   1HB   PRO  53          HB2       PRO  53   1.285   1.082  -6.975
  411   2HB   PRO  53          HB1       PRO  53   0.678   1.418  -5.344
  412   1HG   PRO  53          HG2       PRO  53   3.105   2.476  -6.711
  413   2HG   PRO  53          HG1       PRO  53   2.156   3.195  -5.399
  414   1HD   PRO  53          HD2       PRO  53   4.633   1.874  -5.110
  415   2HD   PRO  53          HD1       PRO  53   3.513   2.280  -3.790
  416    H    GLY  54           HN       GLY  54   4.072   0.397  -7.056
  417   1HA   GLY  54          HA2       GLY  54   3.522  -1.357  -9.172
  418   2HA   GLY  54          HA1       GLY  54   5.169  -0.889  -8.714
  419    H    PHE  55           HN       PHE  55   4.680  -2.032  -5.949
  420    HA   PHE  55           HA       PHE  55   5.547  -4.749  -6.600
  421   1HB   PHE  55          HB2       PHE  55   6.616  -4.077  -4.668
  422   2HB   PHE  55          HB1       PHE  55   5.254  -3.100  -4.126
  423    HD1  PHE  55           HD1      PHE  55   5.363  -6.704  -5.152
  424    HD2  PHE  55           HD2      PHE  55   4.718  -3.887  -1.983
  425    HE1  PHE  55           HE1      PHE  55   4.584  -8.535  -3.686
  426    HE2  PHE  55           HE2      PHE  55   3.941  -5.725  -0.529
  427    HZ   PHE  55           HZ       PHE  55   3.863  -8.048  -1.376
  428    H    CYS  56           HN       CYS  56   2.707  -3.375  -4.845
  429    HA   CYS  56           HA       CYS  56   1.358  -5.823  -4.468
  430   1HB   CYS  56          HB2       CYS  56   0.377  -3.011  -4.921
  431   2HB   CYS  56          HB1       CYS  56  -0.742  -4.344  -4.625
  432    HG   CYS  56           HG       CYS  56   0.583  -4.768  -2.332
  433    H    THR  57           HN       THR  57   1.465  -3.760  -7.339
  434    HA   THR  57           HA       THR  57  -0.551  -5.184  -8.803
  435    HB   THR  57           HB       THR  57   1.846  -3.761  -9.979
  436    HG1  THR  57           HG1      THR  57  -0.625  -2.532  -9.512
  437   1HG2  THR  57          HG21      THR  57   0.805  -4.452 -11.862
  438   2HG2  THR  57          HG22      THR  57  -0.406  -3.228 -11.481
  439   3HG2  THR  57          HG23      THR  57  -0.658  -4.901 -10.986
  440    H    PHE  58           HN       PHE  58   2.910  -5.680  -8.383
  441    HA   PHE  58           HA       PHE  58   3.198  -7.670 -10.443
  442   1HB   PHE  58          HB2       PHE  58   4.987  -6.277  -9.084
  443   2HB   PHE  58          HB1       PHE  58   4.937  -7.670  -8.005
  444    HD1  PHE  58           HD1      PHE  58   6.435  -6.337 -10.911
  445    HD2  PHE  58           HD2      PHE  58   5.029 -10.028  -9.225
  446    HE1  PHE  58           HE1      PHE  58   7.888  -7.603 -12.472
  447    HE2  PHE  58           HE2      PHE  58   6.480 -11.295 -10.788
  448    HZ   PHE  58           HZ       PHE  58   7.910 -10.082 -12.411
  449    H    MET  59           HN       MET  59   2.275  -7.867  -7.021
  450    HA   MET  59           HA       MET  59   2.444 -10.795  -7.084
  451   1HB   MET  59          HB2       MET  59   1.960  -8.757  -5.027
  452   2HB   MET  59          HB1       MET  59   1.248 -10.340  -4.743
  453   1HG   MET  59          HG2       MET  59   3.590 -10.077  -3.828
  454   2HG   MET  59          HG1       MET  59   3.395 -11.417  -4.955
  455   1HE   MET  59          HE1       MET  59   6.643 -10.853  -6.532
  456   2HE   MET  59          HE2       MET  59   5.210 -11.880  -6.563
  457   3HE   MET  59          HE3       MET  59   5.945 -11.451  -5.020
  458    H    GLU  60           HN       GLU  60   0.261  -8.806  -8.414
  459    HA   GLU  60           HA       GLU  60  -1.844  -9.391  -9.333
  460   1HB   GLU  60          HB2       GLU  60  -1.037 -11.816  -8.760
  461   2HB   GLU  60          HB1       GLU  60  -2.131 -11.659  -7.386
  462   1HG   GLU  60          HG2       GLU  60  -3.742 -12.345  -8.828
  463   2HG   GLU  60          HG1       GLU  60  -3.669 -10.700  -9.461
  464    H    HIS  61           HN       HIS  61  -1.248  -7.834  -6.779
  465    HA   HIS  61           HA       HIS  61  -3.822  -8.111  -5.350
  466   1HB   HIS  61          HB2       HIS  61  -1.490  -6.247  -4.791
  467   2HB   HIS  61          HB1       HIS  61  -2.825  -6.632  -3.711
  468    HD1  HIS  61           HD1      HIS  61  -2.396  -9.742  -5.059
  469    HD2  HIS  61           HD2      HIS  61   0.058  -7.510  -2.539
  470    HE1  HIS  61           HE1      HIS  61  -0.844 -11.387  -3.935
  471    H    GLU  62           HN       GLU  62  -4.796  -5.782  -4.792
  472    HA   GLU  62           HA       GLU  62  -4.720  -4.198  -7.327
  473   1HB   GLU  62          HB2       GLU  62  -6.976  -5.228  -5.704
  474   2HB   GLU  62          HB1       GLU  62  -7.172  -3.637  -6.419
  475   1HG   GLU  62          HG2       GLU  62  -7.276  -4.474  -8.545
  476   2HG   GLU  62          HG1       GLU  62  -6.047  -5.699  -8.224
  477    H    LEU  63           HN       LEU  63  -4.788  -2.009  -7.169
  478    HA   LEU  63           HA       LEU  63  -4.189  -0.803  -4.533
  479   1HB   LEU  63          HB2       LEU  63  -2.830   0.234  -6.131
  480   2HB   LEU  63          HB1       LEU  63  -4.027   0.057  -7.409
  481    HG   LEU  63           HG       LEU  63  -5.417   1.814  -6.201
  482   1HD1  LEU  63          HD11      LEU  63  -3.218   3.083  -4.874
  483   2HD1  LEU  63          HD12      LEU  63  -3.374   1.442  -4.247
  484   3HD1  LEU  63          HD13      LEU  63  -4.748   2.546  -4.182
  485   1HD2  LEU  63          HD21      LEU  63  -2.916   3.232  -6.780
  486   2HD2  LEU  63          HD22      LEU  63  -4.477   3.332  -7.594
  487   3HD2  LEU  63          HD23      LEU  63  -3.344   2.049  -8.017
  488    H    VAL  64           HN       VAL  64  -6.143  -0.720  -3.363
  489    HA   VAL  64           HA       VAL  64  -8.636  -0.409  -4.700
  490    HB   VAL  64           HB       VAL  64  -7.771  -0.297  -1.812
  491   1HG1  VAL  64          HG11      VAL  64  -9.785   0.959  -1.906
  492   2HG1  VAL  64          HG12      VAL  64 -10.264  -0.679  -1.452
  493   3HG1  VAL  64          HG13      VAL  64 -10.478  -0.123  -3.111
  494   1HG2  VAL  64          HG21      VAL  64  -8.070  -2.537  -1.857
  495   2HG2  VAL  64          HG22      VAL  64  -8.034  -2.389  -3.614
  496   3HG2  VAL  64          HG23      VAL  64  -9.577  -2.396  -2.761
  497    H    ALA  65           HN       ALA  65  -6.712   1.937  -2.690
  498    HA   ALA  65           HA       ALA  65  -8.018   4.060  -4.328
  499   1HB   ALA  65          HB1       ALA  65  -8.155   5.174  -1.799
  500   2HB   ALA  65          HB2       ALA  65  -8.651   3.503  -1.524
  501   3HB   ALA  65          HB3       ALA  65  -9.516   4.499  -2.695
  502    H    LYS  66           HN       LYS  66  -6.468   5.647  -4.838
  503    HA   LYS  66           HA       LYS  66  -3.956   5.509  -3.308
  504   1HB   LYS  66          HB2       LYS  66  -4.320   7.255  -5.678
  505   2HB   LYS  66          HB1       LYS  66  -2.893   6.359  -5.162
  506   1HG   LYS  66          HG2       LYS  66  -3.551   4.995  -6.821
  507   2HG   LYS  66          HG1       LYS  66  -4.569   4.318  -5.582
  508   1HD   LYS  66          HD2       LYS  66  -6.259   4.717  -7.053
  509   2HD   LYS  66          HD1       LYS  66  -6.116   6.384  -6.492
  510   1HE   LYS  66          HE2       LYS  66  -4.217   5.586  -8.621
  511   2HE   LYS  66          HE1       LYS  66  -5.911   5.676  -9.103
  512   1HZ   LYS  66          HZ1       LYS  66  -4.236   7.810  -7.918
  513   2HZ   LYS  66          HZ2       LYS  66  -5.930   7.913  -7.982
  514   3HZ   LYS  66          HZ3       LYS  66  -5.027   7.814  -9.418
  515    H    GLU  67           HN       GLU  67  -2.926   7.398  -2.664
  516    HA   GLU  67           HA       GLU  67  -4.655   9.774  -2.204
  517   1HB   GLU  67          HB2       GLU  67  -3.189   8.099  -0.278
  518   2HB   GLU  67          HB1       GLU  67  -3.151   9.810   0.002
  519   1HG   GLU  67          HG2       GLU  67  -5.071   8.286   1.034
  520   2HG   GLU  67          HG1       GLU  67  -5.408   9.919   0.482
  521    H    THR  68           HN       THR  68  -3.650  11.360  -3.364
  522    HA   THR  68           HA       THR  68  -0.709  11.732  -2.974
  523    HB   THR  68           HB       THR  68  -0.287  11.934  -5.285
  524    HG1  THR  68           HG1      THR  68  -2.000  12.122  -6.787
  525   1HG2  THR  68          HG21      THR  68  -2.472   9.855  -5.332
  526   2HG2  THR  68          HG22      THR  68  -0.965   9.587  -4.457
  527   3HG2  THR  68          HG23      THR  68  -0.937   9.852  -6.200
  528    H    ASP  69           HN       ASP  69  -3.094  12.993  -1.833
  529    HA   ASP  69           HA       ASP  69  -3.409  15.573  -3.174
  530   1HB   ASP  69          HB2       ASP  69  -4.253  14.708  -0.403
  531   2HB   ASP  69          HB1       ASP  69  -4.825  16.145  -1.254
  532    H    GLY  70           HN       GLY  70  -0.887  14.382  -1.625
  533   1HA   GLY  70          HA2       GLY  70   0.914  16.151  -1.347
  534   2HA   GLY  70          HA1       GLY  70  -0.196  16.860  -0.203
  535    H    LEU  71           HN       LEU  71   2.427  15.234  -0.284
  536    HA   LEU  71           HA       LEU  71   2.454  12.906   1.083
  537   1HB   LEU  71          HB2       LEU  71   4.159  15.316   1.733
  538   2HB   LEU  71          HB1       LEU  71   4.475  13.697   2.321
  539    HG   LEU  71           HG       LEU  71   4.058  13.997  -0.580
  540   1HD1  LEU  71          HD11      LEU  71   5.880  15.672   0.730
  541   2HD1  LEU  71          HD12      LEU  71   5.874  15.280  -0.990
  542   3HD1  LEU  71          HD13      LEU  71   6.856  14.332   0.127
  543   1HD2  LEU  71          HD21      LEU  71   5.993  12.310  -0.471
  544   2HD2  LEU  71          HD22      LEU  71   4.452  11.791   0.212
  545   3HD2  LEU  71          HD23      LEU  71   5.751  12.330   1.277
  546    HA   PRO  72           HA       PRO  72   3.357  11.874   2.514
  547   1HB   PRO  72          HB2       PRO  72   2.372   9.864   4.070
  548   2HB   PRO  72          HB1       PRO  72   3.617  10.992   4.644
  549   1HG   PRO  72          HG2       PRO  72   0.715  10.901   5.288
  550   2HG   PRO  72          HG1       PRO  72   2.056  11.469   6.299
  551   1HD   PRO  72          HD2       PRO  72   0.265  13.121   4.871
  552   2HD   PRO  72          HD1       PRO  72   1.839  13.634   5.523
  553    H    TYR  73           HN       TYR  73   2.777  10.271   1.028
  554    HA   TYR  73           HA       TYR  73   0.164  10.359  -0.148
  555   1HB   TYR  73          HB2       TYR  73   2.060   8.123  -0.593
  556   2HB   TYR  73          HB1       TYR  73   0.950   8.857  -1.739
  557    HD1  TYR  73           HD1      TYR  73   4.208   8.755  -0.435
  558    HD2  TYR  73           HD2      TYR  73   1.438  11.300  -2.451
  559    HE1  TYR  73           HE1      TYR  73   6.104  10.099  -1.276
  560    HE2  TYR  73           HE2      TYR  73   3.299  12.703  -3.276
  561    HH   TYR  73           HH       TYR  73   6.279  11.818  -3.540
  562    H    ARG  74           HN       ARG  74  -1.162   8.331  -0.503
  563    HA   ARG  74           HA       ARG  74  -0.711   6.219   1.440
  564   1HB   ARG  74          HB2       ARG  74  -2.972   8.140   1.624
  565   2HB   ARG  74          HB1       ARG  74  -3.293   6.433   1.947
  566   1HG   ARG  74          HG2       ARG  74  -1.784   6.328   3.700
  567   2HG   ARG  74          HG1       ARG  74  -0.950   7.779   3.199
  568   1HD   ARG  74          HD2       ARG  74  -3.829   8.067   3.897
  569   2HD   ARG  74          HD1       ARG  74  -2.718   7.771   5.228
  570    HE   ARG  74           HE       ARG  74  -1.807   9.927   4.906
  571   1HH1  ARG  74          HH21      ARG  74  -4.220   9.180   2.557
  572   2HH1  ARG  74          HH22      ARG  74  -4.001  10.653   1.680
  573   1HH2  ARG  74          HH11      ARG  74  -1.363  11.757   3.627
  574   2HH2  ARG  74          HH12      ARG  74  -2.394  12.106   2.281
  575    H    TYR  75           HN       TYR  75  -1.917   4.338   0.898
  576    HA   TYR  75           HA       TYR  75  -3.417   4.425  -1.604
  577   1HB   TYR  75          HB2       TYR  75  -1.207   2.463  -1.601
  578   2HB   TYR  75          HB1       TYR  75  -1.982   3.282  -2.957
  579    HD1  TYR  75           HD1      TYR  75  -1.477   5.812  -3.256
  580    HD2  TYR  75           HD2      TYR  75   0.733   3.221  -0.718
  581    HE1  TYR  75           HE1      TYR  75   0.439   7.381  -3.369
  582    HE2  TYR  75           HE2      TYR  75   2.679   4.779  -0.793
  583    HH   TYR  75           HH       TYR  75   2.519   7.780  -2.717
  584    H    LEU  76           HN       LEU  76  -5.077   2.961  -1.303
  585    HA   LEU  76           HA       LEU  76  -4.717   1.031   0.799
  586   1HB   LEU  76          HB2       LEU  76  -6.910   2.118   0.619
  587   2HB   LEU  76          HB1       LEU  76  -7.096   1.484  -1.001
  588    HG   LEU  76           HG       LEU  76  -6.683  -0.815   0.031
  589   1HD1  LEU  76          HD11      LEU  76  -5.992   0.525   2.240
  590   2HD1  LEU  76          HD12      LEU  76  -6.689  -1.093   2.304
  591   3HD1  LEU  76          HD13      LEU  76  -7.710   0.318   2.578
  592   1HD2  LEU  76          HD21      LEU  76  -8.963   0.803  -0.266
  593   2HD2  LEU  76          HD22      LEU  76  -9.173  -0.134   1.213
  594   3HD2  LEU  76          HD23      LEU  76  -8.857  -0.955  -0.316
  595    H    ILE  77           HN       ILE  77  -4.888  -1.334   0.214
  596    HA   ILE  77           HA       ILE  77  -4.842  -1.841  -2.685
  597    HB   ILE  77           HB       ILE  77  -2.739  -2.900  -0.794
  598   1HG1  ILE  77          HG12      ILE  77  -2.830  -0.479  -2.578
  599   2HG1  ILE  77          HG11      ILE  77  -2.262  -0.603  -0.918
  600   1HG2  ILE  77          HG21      ILE  77  -1.880  -4.039  -2.592
  601   2HG2  ILE  77          HG22      ILE  77  -2.353  -2.787  -3.741
  602   3HG2  ILE  77          HG23      ILE  77  -3.545  -3.951  -3.161
  603   1HD1  ILE  77          HD11      ILE  77  -0.283  -1.801  -1.608
  604   2HD1  ILE  77          HD12      ILE  77  -0.417  -0.360  -2.615
  605   3HD1  ILE  77          HD13      ILE  77  -0.880  -1.934  -3.262
  606    H    ARG  78           HN       ARG  78  -6.575  -3.239  -2.847
  607    HA   ARG  78           HA       ARG  78  -7.247  -5.041  -0.666
  608   1HB   ARG  78          HB2       ARG  78  -9.048  -4.408  -2.105
  609   2HB   ARG  78          HB1       ARG  78  -8.142  -4.857  -3.550
  610   1HG   ARG  78          HG2       ARG  78  -8.152  -7.239  -2.721
  611   2HG   ARG  78          HG1       ARG  78  -9.246  -6.725  -1.437
  612   1HD   ARG  78          HD2       ARG  78  -9.735  -6.782  -4.410
  613   2HD   ARG  78          HD1       ARG  78 -10.707  -7.490  -3.121
  614    HE   ARG  78           HE       ARG  78 -10.537  -4.546  -3.631
  615   1HH1  ARG  78          HH21      ARG  78 -12.779  -6.699  -4.319
  616   2HH1  ARG  78          HH22      ARG  78 -13.974  -6.213  -3.163
  617   1HH2  ARG  78          HH11      ARG  78 -11.794  -4.208  -1.358
  618   2HH2  ARG  78          HH12      ARG  78 -13.416  -4.803  -1.486
  619    H    LYS  79           HN       LYS  79  -5.865  -6.680  -0.158
  620    HA   LYS  79           HA       LYS  79  -3.987  -7.835  -2.035
  621   1HB   LYS  79          HB2       LYS  79  -4.189  -7.782   0.686
  622   2HB   LYS  79          HB1       LYS  79  -4.726  -9.424   0.341
  623   1HG   LYS  79          HG2       LYS  79  -2.467  -8.890  -1.315
  624   2HG   LYS  79          HG1       LYS  79  -2.055  -8.396   0.328
  625   1HD   LYS  79          HD2       LYS  79  -1.627 -10.587   0.702
  626   2HD   LYS  79          HD1       LYS  79  -3.379 -10.789   0.730
  627   1HE   LYS  79          HE2       LYS  79  -2.548 -10.718  -2.002
  628   2HE   LYS  79          HE1       LYS  79  -1.513 -11.862  -1.149
  629   1HZ   LYS  79          HZ1       LYS  79  -3.519 -12.926  -1.969
  630   2HZ   LYS  79          HZ2       LYS  79  -4.483 -11.839  -1.090
  631   3HZ   LYS  79          HZ3       LYS  79  -3.483 -12.943  -0.273
  632    H    GLY  80           HN       GLY  80  -4.747  -9.018  -3.703
  633   1HA   GLY  80          HA2       GLY  80  -5.907 -11.529  -3.498
  634   2HA   GLY  80          HA1       GLY  80  -7.278 -10.430  -3.615
  635    H    GLY  81           HN       GLY  81  -6.660 -12.325  -5.598
  636   1HA   GLY  81          HA2       GLY  81  -5.588 -10.656  -7.826
  637   2HA   GLY  81          HA1       GLY  81  -5.673 -12.419  -7.847
  Start of MODEL   11
    1   1H    MET   1          HT1       MET   1 -16.929  12.939  -4.034
    2   2H    MET   1          HT2       MET   1 -17.862  11.729  -3.292
    3   3H    MET   1          HT3       MET   1 -17.793  11.834  -4.986
    4    HA   MET   1           HA       MET   1 -16.153  10.364  -4.952
    5   1HB   MET   1          HB2       MET   1 -14.824  12.685  -3.536
    6   2HB   MET   1          HB1       MET   1 -13.942  11.236  -4.022
    7   1HG   MET   1          HG2       MET   1 -15.646  12.423  -6.126
    8   2HG   MET   1          HG1       MET   1 -14.277  13.416  -5.628
    9   1HE   MET   1          HE1       MET   1 -15.080  12.307  -8.208
   10   2HE   MET   1          HE2       MET   1 -15.121  10.546  -8.246
   11   3HE   MET   1          HE3       MET   1 -13.783  11.405  -9.006
   12    H    THR   2           HN       THR   2 -17.258   8.849  -3.550
   13    HA   THR   2           HA       THR   2 -17.219   8.866  -0.727
   14    HB   THR   2           HB       THR   2 -18.579   7.264  -1.960
   15    HG1  THR   2           HG1      THR   2 -16.518   5.978  -0.496
   16   1HG2  THR   2          HG21      THR   2 -15.982   6.676  -3.211
   17   2HG2  THR   2          HG22      THR   2 -17.613   6.472  -3.851
   18   3HG2  THR   2          HG23      THR   2 -16.919   5.240  -2.798
   19    H    ASP   3           HN       ASP   3 -15.850   7.540   0.734
   20    HA   ASP   3           HA       ASP   3 -13.008   7.638  -0.154
   21   1HB   ASP   3          HB2       ASP   3 -14.409   7.920   2.462
   22   2HB   ASP   3          HB1       ASP   3 -12.808   7.181   2.485
   23    H    LEU   4           HN       LEU   4 -12.135   5.723  -0.757
   24    HA   LEU   4           HA       LEU   4 -13.418   3.200   0.091
   25   1HB   LEU   4          HB2       LEU   4 -11.203   3.853  -1.868
   26   2HB   LEU   4          HB1       LEU   4 -11.667   2.199  -1.470
   27    HG   LEU   4           HG       LEU   4 -13.708   4.231  -2.373
   28   1HD1  LEU   4          HD11      LEU   4 -12.185   4.209  -4.200
   29   2HD1  LEU   4          HD12      LEU   4 -13.439   3.049  -4.638
   30   3HD1  LEU   4          HD13      LEU   4 -11.886   2.479  -4.030
   31   1HD2  LEU   4          HD21      LEU   4 -14.016   1.766  -1.287
   32   2HD2  LEU   4          HD22      LEU   4 -13.876   1.330  -2.990
   33   3HD2  LEU   4          HD23      LEU   4 -15.140   2.443  -2.466
   34    H    PHE   5           HN       PHE   5 -11.154   5.222   1.389
   35    HA   PHE   5           HA       PHE   5  -9.256   3.177   2.299
   36   1HB   PHE   5          HB2       PHE   5  -9.515   6.140   2.545
   37   2HB   PHE   5          HB1       PHE   5  -8.589   5.295   3.785
   38    HD1  PHE   5           HD1      PHE   5  -6.603   6.611   2.867
   39    HD2  PHE   5           HD2      PHE   5  -8.690   3.654   0.566
   40    HE1  PHE   5           HE1      PHE   5  -4.696   6.425   1.307
   41    HE2  PHE   5           HE2      PHE   5  -6.741   3.493  -0.959
   42    HZ   PHE   5           HZ       PHE   5  -4.752   4.929  -0.614
   43    H    SER   6           HN       SER   6 -12.278   3.378   3.065
   44    HA   SER   6           HA       SER   6 -12.704   3.983   5.735
   45   1HB   SER   6          HB2       SER   6 -13.676   1.551   4.210
   46   2HB   SER   6          HB1       SER   6 -14.317   2.059   5.769
   47    HG   SER   6           HG       SER   6 -15.559   3.291   4.604
   48    H    SER   7           HN       SER   7 -12.947   2.189   7.549
   49    HA   SER   7           HA       SER   7 -10.439   1.444   8.475
   50   1HB   SER   7          HB2       SER   7 -11.676  -0.383   9.762
   51   2HB   SER   7          HB1       SER   7 -12.296   1.252   9.963
   52    HG   SER   7           HG       SER   7 -13.386  -0.946   8.655
   53    HA   PRO   8           HA       PRO   8  -9.615  -1.627   5.263
   54   1HB   PRO   8          HB2       PRO   8  -6.895  -1.549   5.616
   55   2HB   PRO   8          HB1       PRO   8  -7.787  -0.389   4.621
   56   1HG   PRO   8          HG2       PRO   8  -6.614  -0.012   7.342
   57   2HG   PRO   8          HG1       PRO   8  -6.890   1.181   6.063
   58   1HD   PRO   8          HD2       PRO   8  -8.508   0.826   8.339
   59   2HD   PRO   8          HD1       PRO   8  -8.966   1.717   6.874
   60    H    ASP   9           HN       ASP   9  -8.163  -3.702   5.417
   61    HA   ASP   9           HA       ASP   9  -8.766  -4.982   8.006
   62   1HB   ASP   9          HB2       ASP   9  -7.659  -6.049   5.392
   63   2HB   ASP   9          HB1       ASP   9  -7.929  -7.048   6.820
   64    H    HIS  10           HN       HIS  10  -6.058  -3.662   6.281
   65    HA   HIS  10           HA       HIS  10  -4.303  -4.335   8.583
   66   1HB   HIS  10          HB2       HIS  10  -3.881  -5.087   5.699
   67   2HB   HIS  10          HB1       HIS  10  -2.497  -4.779   6.742
   68    HD1  HIS  10           HD1      HIS  10  -1.693  -6.792   7.985
   69    HD2  HIS  10           HD2      HIS  10  -5.745  -7.080   7.050
   70    HE1  HIS  10           HE1      HIS  10  -2.460  -9.059   8.814
   71    H    THR  11           HN       THR  11  -2.108  -3.041   8.223
   72    HA   THR  11           HA       THR  11  -2.565  -0.551   6.680
   73    HB   THR  11           HB       THR  11  -1.787  -0.553   9.593
   74    HG1  THR  11           HG1      THR  11  -4.189   0.500   8.634
   75   1HG2  THR  11          HG21      THR  11  -2.510   1.946   9.168
   76   2HG2  THR  11          HG22      THR  11  -2.164   1.546   7.486
   77   3HG2  THR  11          HG23      THR  11  -0.896   1.406   8.703
   78    H    LEU  12           HN       LEU  12  -0.561   0.701   6.451
   79    HA   LEU  12           HA       LEU  12   1.959  -0.659   7.229
   80   1HB   LEU  12          HB2       LEU  12   1.622  -1.667   5.078
   81   2HB   LEU  12          HB1       LEU  12   1.098  -0.137   4.381
   82    HG   LEU  12           HG       LEU  12   3.328   0.772   4.381
   83   1HD1  LEU  12          HD11      LEU  12   5.170  -0.670   5.532
   84   2HD1  LEU  12          HD12      LEU  12   3.834  -1.404   6.419
   85   3HD1  LEU  12          HD13      LEU  12   4.136   0.327   6.549
   86   1HD2  LEU  12          HD21      LEU  12   3.275  -2.175   3.711
   87   2HD2  LEU  12          HD22      LEU  12   4.741  -1.218   3.499
   88   3HD2  LEU  12          HD23      LEU  12   3.276  -0.791   2.619
   89    H    ASP  13           HN       ASP  13   3.046   1.035   8.190
   90    HA   ASP  13           HA       ASP  13   2.624   3.781   7.203
   91   1HB   ASP  13          HB2       ASP  13   3.037   3.142   9.667
   92   2HB   ASP  13          HB1       ASP  13   4.715   2.866   9.198
   93    H    ALA  14           HN       ALA  14   4.179   4.892   5.870
   94    HA   ALA  14           HA       ALA  14   6.695   3.427   5.345
   95   1HB   ALA  14          HB1       ALA  14   5.421   4.350   2.868
   96   2HB   ALA  14          HB2       ALA  14   4.603   3.004   3.663
   97   3HB   ALA  14          HB3       ALA  14   6.300   2.859   3.207
   98    H    LEU  15           HN       LEU  15   5.589   5.873   6.536
   99    HA   LEU  15           HA       LEU  15   6.772   8.093   5.081
  100   1HB   LEU  15          HB2       LEU  15   5.965   8.237   7.944
  101   2HB   LEU  15          HB1       LEU  15   5.768   9.400   6.644
  102    HG   LEU  15           HG       LEU  15   4.161   6.888   7.086
  103   1HD1  LEU  15          HD11      LEU  15   3.233   9.743   6.754
  104   2HD1  LEU  15          HD12      LEU  15   3.579   9.028   8.329
  105   3HD1  LEU  15          HD13      LEU  15   2.295   8.361   7.319
  106   1HD2  LEU  15          HD21      LEU  15   4.075   6.794   4.824
  107   2HD2  LEU  15          HD22      LEU  15   4.773   8.403   4.651
  108   3HD2  LEU  15          HD23      LEU  15   3.048   8.222   4.940
  109    H    GLY  16           HN       GLY  16   8.891   7.912   5.019
  110   1HA   GLY  16          HA2       GLY  16  11.046   8.314   6.117
  111   2HA   GLY  16          HA1       GLY  16  10.392   7.533   7.567
  112    H    LEU  17           HN       LEU  17   9.194   5.815   5.053
  113    HA   LEU  17           HA       LEU  17  11.258   3.710   5.278
  114   1HB   LEU  17          HB2       LEU  17   8.434   3.701   4.170
  115   2HB   LEU  17          HB1       LEU  17   9.514   2.312   4.144
  116    HG   LEU  17           HG       LEU  17   8.119   3.591   6.452
  117   1HD1  LEU  17          HD11      LEU  17   8.799   0.783   5.531
  118   2HD1  LEU  17          HD12      LEU  17   7.217   1.560   5.474
  119   3HD1  LEU  17          HD13      LEU  17   7.936   1.136   7.028
  120   1HD2  LEU  17          HD21      LEU  17  10.792   2.196   6.529
  121   2HD2  LEU  17          HD22      LEU  17   9.719   2.266   7.927
  122   3HD2  LEU  17          HD23      LEU  17  10.363   3.754   7.232
  123    H    ARG  18           HN       ARG  18  12.131   2.847   3.329
  124    HA   ARG  18           HA       ARG  18  11.324   4.280   0.873
  125   1HB   ARG  18          HB2       ARG  18  13.838   4.556   0.343
  126   2HB   ARG  18          HB1       ARG  18  13.053   5.678   1.456
  127   1HG   ARG  18          HG2       ARG  18  13.823   4.050   3.322
  128   2HG   ARG  18          HG1       ARG  18  14.922   3.403   2.103
  129   1HD   ARG  18          HD2       ARG  18  15.517   5.950   1.734
  130   2HD   ARG  18          HD1       ARG  18  14.888   6.119   3.372
  131    HE   ARG  18           HE       ARG  18  17.115   4.234   2.703
  132   1HH1  ARG  18          HH21      ARG  18  17.375   7.200   3.710
  133   2HH1  ARG  18          HH22      ARG  18  17.774   6.902   5.369
  134   1HH2  ARG  18          HH11      ARG  18  16.837   3.564   5.271
  135   2HH2  ARG  18          HH12      ARG  18  17.468   4.844   6.253
  136    H    CYS  19           HN       CYS  19  11.755   3.111  -1.003
  137    HA   CYS  19           HA       CYS  19  11.550   0.331  -0.885
  138   1HB   CYS  19          HB2       CYS  19  11.183   1.390  -2.973
  139   2HB   CYS  19          HB1       CYS  19  12.801   2.082  -3.002
  140    HG   CYS  19           HG       CYS  19  12.296  -0.368  -4.364
  141    HA   PRO  20           HA       PRO  20  11.949  -1.464  -1.551
  142   1HB   PRO  20          HB2       PRO  20  12.769  -3.878  -0.574
  143   2HB   PRO  20          HB1       PRO  20  13.330  -3.233  -2.127
  144   1HG   PRO  20          HG2       PRO  20  14.801  -3.456   0.451
  145   2HG   PRO  20          HG1       PRO  20  15.439  -3.383  -1.196
  146   1HD   PRO  20          HD2       PRO  20  15.330  -1.250   0.695
  147   2HD   PRO  20          HD1       PRO  20  15.802  -1.138  -1.014
  148    H    GLU  21           HN       GLU  21  13.005  -0.533   1.456
  149    HA   GLU  21           HA       GLU  21  11.887  -2.252   3.326
  150   1HB   GLU  21          HB2       GLU  21  12.256   0.689   3.376
  151   2HB   GLU  21          HB1       GLU  21  11.583  -0.152   4.762
  152   1HG   GLU  21          HG2       GLU  21  13.563  -1.576   4.898
  153   2HG   GLU  21          HG1       GLU  21  14.231  -0.829   3.446
  154    HA   PRO  22           HA       PRO  22   7.705   0.003   3.274
  155   1HB   PRO  22          HB2       PRO  22   7.131   1.325   0.925
  156   2HB   PRO  22          HB1       PRO  22   7.801   2.108   2.354
  157   1HG   PRO  22          HG2       PRO  22   9.162   1.348  -0.186
  158   2HG   PRO  22          HG1       PRO  22   9.541   2.664   0.939
  159   1HD   PRO  22          HD2       PRO  22  10.930   0.252   0.785
  160   2HD   PRO  22          HD1       PRO  22  10.967   1.339   2.179
  161    H    VAL  23           HN       VAL  23   8.462  -0.512  -0.145
  162    HA   VAL  23           HA       VAL  23   6.313  -2.158  -0.861
  163    HB   VAL  23           HB       VAL  23   9.235  -2.365  -1.632
  164   1HG1  VAL  23          HG11      VAL  23   8.174  -3.473  -3.722
  165   2HG1  VAL  23          HG12      VAL  23   6.762  -3.725  -2.697
  166   3HG1  VAL  23          HG13      VAL  23   8.309  -4.448  -2.259
  167   1HG2  VAL  23          HG21      VAL  23   8.799  -0.801  -3.270
  168   2HG2  VAL  23          HG22      VAL  23   7.591  -0.284  -2.095
  169   3HG2  VAL  23          HG23      VAL  23   7.121  -1.307  -3.452
  170    H    MET  24           HN       MET  24   9.078  -2.811   1.192
  171    HA   MET  24           HA       MET  24   8.816  -5.710   1.132
  172   1HB   MET  24          HB2       MET  24  10.325  -3.721   2.786
  173   2HB   MET  24          HB1       MET  24  10.165  -5.372   3.383
  174   1HG   MET  24          HG2       MET  24  11.284  -6.283   1.511
  175   2HG   MET  24          HG1       MET  24  11.070  -4.812   0.560
  176   1HE   MET  24          HE1       MET  24  12.172  -6.267   3.707
  177   2HE   MET  24          HE2       MET  24  13.587  -5.388   4.281
  178   3HE   MET  24          HE3       MET  24  13.769  -6.619   3.034
  179    H    MET  25           HN       MET  25   7.717  -3.158   3.369
  180    HA   MET  25           HA       MET  25   6.591  -4.885   5.325
  181   1HB   MET  25          HB2       MET  25   6.147  -2.047   4.488
  182   2HB   MET  25          HB1       MET  25   4.934  -2.798   5.525
  183   1HG   MET  25          HG2       MET  25   6.807  -1.598   6.757
  184   2HG   MET  25          HG1       MET  25   6.556  -3.277   7.228
  185   1HE   MET  25          HE1       MET  25  10.371  -1.730   6.956
  186   2HE   MET  25          HE2       MET  25   9.466  -2.613   8.182
  187   3HE   MET  25          HE3       MET  25   8.787  -1.144   7.483
  188    H    VAL  26           HN       VAL  26   5.194  -3.499   2.358
  189    HA   VAL  26           HA       VAL  26   2.593  -4.684   2.733
  190    HB   VAL  26           HB       VAL  26   4.083  -3.905   0.212
  191   1HG1  VAL  26          HG11      VAL  26   2.357  -4.700  -1.025
  192   2HG1  VAL  26          HG12      VAL  26   1.170  -3.963   0.046
  193   3HG1  VAL  26          HG13      VAL  26   1.822  -5.556   0.418
  194   1HG2  VAL  26          HG21      VAL  26   3.611  -1.869   1.143
  195   2HG2  VAL  26          HG22      VAL  26   2.335  -2.527   2.167
  196   3HG2  VAL  26          HG23      VAL  26   2.010  -2.177   0.471
  197    H    ARG  27           HN       ARG  27   5.663  -5.887   1.614
  198    HA   ARG  27           HA       ARG  27   4.709  -8.224   0.238
  199   1HB   ARG  27          HB2       ARG  27   7.282  -7.213   1.152
  200   2HB   ARG  27          HB1       ARG  27   7.126  -8.955   1.436
  201   1HG   ARG  27          HG2       ARG  27   6.193  -7.954  -1.200
  202   2HG   ARG  27          HG1       ARG  27   7.932  -7.938  -0.928
  203   1HD   ARG  27          HD2       ARG  27   7.956 -10.295  -0.439
  204   2HD   ARG  27          HD1       ARG  27   6.194 -10.361  -0.408
  205    HE   ARG  27           HE       ARG  27   6.737  -9.466  -2.958
  206   1HH1  ARG  27          HH21      ARG  27   5.650 -12.204  -2.474
  207   2HH1  ARG  27          HH22      ARG  27   6.878 -13.216  -3.158
  208   1HH2  ARG  27          HH11      ARG  27   9.277 -10.712  -3.217
  209   2HH2  ARG  27          HH12      ARG  27   8.932 -12.371  -3.579
  210    H    LYS  28           HN       LYS  28   6.177  -7.964   3.450
  211    HA   LYS  28           HA       LYS  28   5.464 -10.588   4.316
  212   1HB   LYS  28          HB2       LYS  28   5.748  -9.539   6.663
  213   2HB   LYS  28          HB1       LYS  28   7.145  -9.507   5.588
  214   1HG   LYS  28          HG2       LYS  28   7.200  -7.266   5.731
  215   2HG   LYS  28          HG1       LYS  28   5.579  -7.188   5.040
  216   1HD   LYS  28          HD2       LYS  28   4.757  -6.532   7.025
  217   2HD   LYS  28          HD1       LYS  28   5.336  -8.028   7.760
  218   1HE   LYS  28          HE2       LYS  28   7.352  -5.891   7.238
  219   2HE   LYS  28          HE1       LYS  28   6.218  -5.629   8.564
  220   1HZ   LYS  28          HZ1       LYS  28   6.850  -8.042   9.180
  221   2HZ   LYS  28          HZ2       LYS  28   7.910  -6.777   9.583
  222   3HZ   LYS  28          HZ3       LYS  28   8.225  -7.756   8.230
  223    H    THR  29           HN       THR  29   3.808  -7.509   4.538
  224    HA   THR  29           HA       THR  29   1.609  -8.380   6.181
  225    HB   THR  29           HB       THR  29   2.283  -6.108   4.387
  226    HG1  THR  29           HG1      THR  29   2.540  -5.279   6.273
  227   1HG2  THR  29          HG21      THR  29  -0.222  -5.372   5.230
  228   2HG2  THR  29          HG22      THR  29  -0.458  -7.061   4.787
  229   3HG2  THR  29          HG23      THR  29   0.176  -5.920   3.602
  230    H    VAL  30           HN       VAL  30   2.408  -8.359   2.809
  231    HA   VAL  30           HA       VAL  30  -0.158  -9.206   1.771
  232    HB   VAL  30           HB       VAL  30   2.684  -9.054   0.792
  233   1HG1  VAL  30          HG11      VAL  30   2.080 -11.175  -0.092
  234   2HG1  VAL  30          HG12      VAL  30   1.872 -10.013  -1.403
  235   3HG1  VAL  30          HG13      VAL  30   0.465 -10.611  -0.521
  236   1HG2  VAL  30          HG21      VAL  30   0.302  -8.157  -0.776
  237   2HG2  VAL  30          HG22      VAL  30   1.895  -7.414  -0.633
  238   3HG2  VAL  30          HG23      VAL  30   0.724  -7.248   0.675
  239    H    ARG  31           HN       ARG  31   2.671 -10.668   3.140
  240    HA   ARG  31           HA       ARG  31   2.070 -13.413   2.417
  241   1HB   ARG  31          HB2       ARG  31   3.824 -12.274   4.620
  242   2HB   ARG  31          HB1       ARG  31   3.807 -13.962   4.112
  243   1HG   ARG  31          HG2       ARG  31   4.405 -13.134   1.769
  244   2HG   ARG  31          HG1       ARG  31   4.694 -11.564   2.498
  245   1HD   ARG  31          HD2       ARG  31   6.821 -12.461   2.601
  246   2HD   ARG  31          HD1       ARG  31   6.185 -12.944   4.175
  247    HE   ARG  31           HE       ARG  31   6.689 -14.735   1.887
  248   1HH1  ARG  31          HH11      ARG  31   7.649 -15.428   4.589
  249   2HH1  ARG  31          HH12      ARG  31   6.462 -16.561   5.145
  250   1HH2  ARG  31          HH21      ARG  31   4.110 -15.674   2.757
  251   2HH2  ARG  31          HH22      ARG  31   4.460 -16.702   4.106
  252    H    ASN  32           HN       ASN  32   1.282 -11.209   5.050
  253    HA   ASN  32           HA       ASN  32  -0.091 -13.449   6.472
  254   1HB   ASN  32          HB2       ASN  32  -0.215 -11.978   8.393
  255   2HB   ASN  32          HB1       ASN  32   1.437 -11.952   7.782
  256   1HD2  ASN  32          HD21      ASN  32   1.814  -9.796   8.669
  257   2HD2  ASN  32          HD22      ASN  32   1.106  -8.419   7.974
  258    H    MET  33           HN       MET  33  -0.859 -11.549   4.021
  259    HA   MET  33           HA       MET  33  -3.523 -10.731   5.060
  260   1HB   MET  33          HB2       MET  33  -1.819  -9.896   2.756
  261   2HB   MET  33          HB1       MET  33  -3.568  -9.810   2.546
  262   1HG   MET  33          HG2       MET  33  -3.415  -8.679   4.960
  263   2HG   MET  33          HG1       MET  33  -1.804  -8.268   4.392
  264   1HE   MET  33          HE1       MET  33  -5.595  -7.568   1.981
  265   2HE   MET  33          HE2       MET  33  -5.790  -7.468   3.727
  266   3HE   MET  33          HE3       MET  33  -5.144  -8.938   3.003
  267    H    GLN  34           HN       GLN  34  -5.243 -10.971   3.173
  268    HA   GLN  34           HA       GLN  34  -4.996 -13.644   1.889
  269   1HB   GLN  34          HB2       GLN  34  -7.267 -12.700   3.667
  270   2HB   GLN  34          HB1       GLN  34  -7.367 -14.116   2.617
  271   1HG   GLN  34          HG2       GLN  34  -5.325 -15.026   3.782
  272   2HG   GLN  34          HG1       GLN  34  -5.451 -13.687   4.923
  273   1HE2  GLN  34          HE21      GLN  34  -6.812 -16.783   4.019
  274   2HE2  GLN  34          HE22      GLN  34  -7.966 -16.858   5.262
  275    HA   PRO  35           HA       PRO  35  -6.757 -11.486  -1.475
  276   1HB   PRO  35          HB2       PRO  35  -8.045 -13.565  -2.757
  277   2HB   PRO  35          HB1       PRO  35  -6.296 -13.287  -2.818
  278   1HG   PRO  35          HG2       PRO  35  -7.826 -15.321  -1.243
  279   2HG   PRO  35          HG1       PRO  35  -6.181 -15.415  -1.896
  280   1HD   PRO  35          HD2       PRO  35  -6.810 -14.895   0.788
  281   2HD   PRO  35          HD1       PRO  35  -5.251 -14.526   0.017
  282    H    GLY  36           HN       GLY  36  -8.434 -10.161  -1.298
  283   1HA   GLY  36          HA2       GLY  36 -10.875  -9.820  -1.515
  284   2HA   GLY  36          HA1       GLY  36 -11.088 -11.226  -0.462
  285    H    GLU  37           HN       GLU  37  -8.428  -9.202   0.307
  286    HA   GLU  37           HA       GLU  37 -10.011  -7.973   2.531
  287   1HB   GLU  37          HB2       GLU  37  -7.380  -9.382   2.484
  288   2HB   GLU  37          HB1       GLU  37  -7.559  -8.017   3.581
  289   1HG   GLU  37          HG2       GLU  37  -9.916  -9.649   3.740
  290   2HG   GLU  37          HG1       GLU  37  -8.493 -10.670   3.957
  291    H    THR  38           HN       THR  38  -8.340  -6.114   3.497
  292    HA   THR  38           HA       THR  38  -7.307  -4.595   1.153
  293    HB   THR  38           HB       THR  38  -8.346  -2.551   2.518
  294    HG1  THR  38           HG1      THR  38  -9.500  -3.386   4.070
  295   1HG2  THR  38          HG21      THR  38 -10.445  -2.919   1.062
  296   2HG2  THR  38          HG22      THR  38  -9.654  -4.403   0.529
  297   3HG2  THR  38          HG23      THR  38  -8.889  -2.840   0.236
  298    H    LEU  39           HN       LEU  39  -5.790  -2.918   1.711
  299    HA   LEU  39           HA       LEU  39  -4.680  -2.980   4.476
  300   1HB   LEU  39          HB2       LEU  39  -3.333  -4.633   3.369
  301   2HB   LEU  39          HB1       LEU  39  -3.191  -3.643   1.919
  302    HG   LEU  39           HG       LEU  39  -2.122  -1.914   3.664
  303   1HD1  LEU  39          HD11      LEU  39  -1.994  -4.604   4.955
  304   2HD1  LEU  39          HD12      LEU  39  -2.183  -3.015   5.694
  305   3HD1  LEU  39          HD13      LEU  39  -0.602  -3.532   5.108
  306   1HD2  LEU  39          HD21      LEU  39   0.025  -2.619   2.882
  307   2HD2  LEU  39          HD22      LEU  39  -1.112  -3.031   1.598
  308   3HD2  LEU  39          HD23      LEU  39  -0.518  -4.285   2.687
  309    H    LEU  40           HN       LEU  40  -4.624  -0.809   5.021
  310    HA   LEU  40           HA       LEU  40  -4.411   1.215   2.889
  311   1HB   LEU  40          HB2       LEU  40  -5.996   1.799   4.573
  312   2HB   LEU  40          HB1       LEU  40  -4.891   1.359   5.875
  313    HG   LEU  40           HG       LEU  40  -3.365   3.215   5.086
  314   1HD1  LEU  40          HD11      LEU  40  -4.802   4.989   3.753
  315   2HD1  LEU  40          HD12      LEU  40  -5.684   3.561   3.213
  316   3HD1  LEU  40          HD13      LEU  40  -3.958   3.706   2.887
  317   1HD2  LEU  40          HD21      LEU  40  -5.305   5.009   5.751
  318   2HD2  LEU  40          HD22      LEU  40  -4.470   3.997   6.930
  319   3HD2  LEU  40          HD23      LEU  40  -6.049   3.511   6.312
  320    H    ILE  41           HN       ILE  41  -2.573   2.502   2.612
  321    HA   ILE  41           HA       ILE  41  -0.270   1.933   4.422
  322    HB   ILE  41           HB       ILE  41   0.014   2.124   1.423
  323   1HG1  ILE  41          HG12      ILE  41  -0.820  -0.224   3.127
  324   2HG1  ILE  41          HG11      ILE  41  -1.431   0.283   1.561
  325   1HG2  ILE  41          HG21      ILE  41   1.850   0.378   2.815
  326   2HG2  ILE  41          HG22      ILE  41   1.802   1.946   3.612
  327   3HG2  ILE  41          HG23      ILE  41   2.195   1.841   1.899
  328   1HD1  ILE  41          HD11      ILE  41   1.004  -0.238   0.734
  329   2HD1  ILE  41          HD12      ILE  41  -0.144  -1.558   0.964
  330   3HD1  ILE  41          HD13      ILE  41   1.074  -1.225   2.193
  331    H    ILE  42           HN       ILE  42   1.327   3.635   4.472
  332    HA   ILE  42           HA       ILE  42   0.522   6.135   3.093
  333    HB   ILE  42           HB       ILE  42   1.910   6.255   5.742
  334   1HG1  ILE  42          HG12      ILE  42  -0.977   5.555   5.257
  335   2HG1  ILE  42          HG11      ILE  42   0.132   4.920   6.478
  336   1HG2  ILE  42          HG21      ILE  42   1.334   8.461   5.607
  337   2HG2  ILE  42          HG22      ILE  42  -0.280   8.097   5.001
  338   3HG2  ILE  42          HG23      ILE  42   1.090   8.113   3.897
  339   1HD1  ILE  42          HD11      ILE  42  -0.994   6.362   7.838
  340   2HD1  ILE  42          HD12      ILE  42  -1.487   7.398   6.498
  341   3HD1  ILE  42          HD13      ILE  42   0.142   7.528   7.160
  342    H    ALA  43           HN       ALA  43   2.469   7.538   2.849
  343    HA   ALA  43           HA       ALA  43   5.070   6.303   3.208
  344   1HB   ALA  43          HB1       ALA  43   5.340   5.279   1.222
  345   2HB   ALA  43          HB2       ALA  43   4.856   6.740   0.361
  346   3HB   ALA  43          HB3       ALA  43   3.635   5.579   0.883
  347    H    ASP  44           HN       ASP  44   6.496   7.932   3.374
  348    HA   ASP  44           HA       ASP  44   5.674  10.534   2.197
  349   1HB   ASP  44          HB2       ASP  44   7.045  11.655   3.803
  350   2HB   ASP  44          HB1       ASP  44   6.096  10.488   4.706
  351    H    ASP  45           HN       ASP  45   7.917   7.918   2.260
  352    HA   ASP  45           HA       ASP  45  10.083   9.165   0.865
  353   1HB   ASP  45          HB2       ASP  45  10.561   7.084   1.725
  354   2HB   ASP  45          HB1       ASP  45   9.022   6.424   1.213
  355    HA   PRO  46           HA       PRO  46   8.022   9.884  -2.977
  356   1HB   PRO  46          HB2       PRO  46  10.263  10.340  -4.499
  357   2HB   PRO  46          HB1       PRO  46   9.594  11.525  -3.363
  358   1HG   PRO  46          HG2       PRO  46  12.029   9.829  -3.092
  359   2HG   PRO  46          HG1       PRO  46  11.658  11.387  -2.336
  360   1HD   PRO  46          HD2       PRO  46  11.487   8.851  -1.088
  361   2HD   PRO  46          HD1       PRO  46  10.822  10.366  -0.460
  362    H    ALA  47           HN       ALA  47  10.324   7.397  -2.487
  363    HA   ALA  47           HA       ALA  47   9.881   6.185  -5.152
  364   1HB   ALA  47          HB1       ALA  47  11.763   5.748  -2.891
  365   2HB   ALA  47          HB2       ALA  47  12.065   5.721  -4.628
  366   3HB   ALA  47          HB3       ALA  47  11.333   4.324  -3.840
  367    H    THR  48           HN       THR  48   8.221   6.218  -2.269
  368    HA   THR  48           HA       THR  48   7.448   3.373  -2.322
  369    HB   THR  48           HB       THR  48   5.793   4.251  -0.512
  370    HG1  THR  48           HG1      THR  48   7.538   6.320  -0.069
  371   1HG2  THR  48          HG21      THR  48   8.467   4.792   0.535
  372   2HG2  THR  48          HG22      THR  48   8.404   3.334  -0.451
  373   3HG2  THR  48          HG23      THR  48   7.342   3.500   0.947
  374    H    THR  49           HN       THR  49   6.043   6.532  -3.122
  375    HA   THR  49           HA       THR  49   3.400   5.649  -3.700
  376    HB   THR  49           HB       THR  49   3.069   7.712  -4.692
  377    HG1  THR  49           HG1      THR  49   4.220   8.311  -6.347
  378   1HG2  THR  49          HG21      THR  49   4.173   9.269  -3.426
  379   2HG2  THR  49          HG22      THR  49   5.758   8.568  -3.758
  380   3HG2  THR  49          HG23      THR  49   4.697   7.823  -2.562
  381    H    ARG  50           HN       ARG  50   6.394   5.457  -5.494
  382    HA   ARG  50           HA       ARG  50   4.958   4.372  -7.856
  383   1HB   ARG  50          HB2       ARG  50   7.789   5.236  -7.329
  384   2HB   ARG  50          HB1       ARG  50   7.365   4.332  -8.783
  385   1HG   ARG  50          HG2       ARG  50   5.883   6.035  -9.540
  386   2HG   ARG  50          HG1       ARG  50   5.882   6.837  -7.968
  387   1HD   ARG  50          HD2       ARG  50   7.586   8.127  -8.667
  388   2HD   ARG  50          HD1       ARG  50   8.590   6.681  -8.787
  389    HE   ARG  50           HE       ARG  50   6.847   7.139 -11.103
  390   1HH1  ARG  50          HH21      ARG  50   8.676   9.523 -10.816
  391   2HH1  ARG  50          HH22      ARG  50  10.053   9.024 -11.743
  392   1HH2  ARG  50          HH11      ARG  50   9.149   5.676 -11.775
  393   2HH2  ARG  50          HH12      ARG  50  10.319   6.845 -12.286
  394    H    ASP  51           HN       ASP  51   7.289   3.290  -5.422
  395    HA   ASP  51           HA       ASP  51   7.502   0.667  -6.736
  396   1HB   ASP  51          HB2       ASP  51   8.699   1.722  -4.160
  397   2HB   ASP  51          HB1       ASP  51   9.087   0.161  -4.890
  398    H    ILE  52           HN       ILE  52   6.231   1.841  -3.599
  399    HA   ILE  52           HA       ILE  52   5.555  -0.674  -2.546
  400    HB   ILE  52           HB       ILE  52   4.536   2.087  -2.140
  401   1HG1  ILE  52          HG12      ILE  52   5.643  -0.138  -0.429
  402   2HG1  ILE  52          HG11      ILE  52   6.416   1.391  -0.849
  403   1HG2  ILE  52          HG21      ILE  52   2.762   1.357  -0.625
  404   2HG2  ILE  52          HG22      ILE  52   3.118  -0.333  -0.983
  405   3HG2  ILE  52          HG23      ILE  52   2.449   0.712  -2.236
  406   1HD1  ILE  52          HD11      ILE  52   3.929   2.055   0.321
  407   2HD1  ILE  52          HD12      ILE  52   5.534   2.300   1.007
  408   3HD1  ILE  52          HD13      ILE  52   4.646   0.815   1.349
  409    HA   PRO  53           HA       PRO  53   1.364  -0.518  -4.724
  410   1HB   PRO  53          HB2       PRO  53   1.128   1.253  -6.807
  411   2HB   PRO  53          HB1       PRO  53   0.597   1.573  -5.146
  412   1HG   PRO  53          HG2       PRO  53   2.988   2.609  -6.603
  413   2HG   PRO  53          HG1       PRO  53   2.093   3.342  -5.260
  414   1HD   PRO  53          HD2       PRO  53   4.557   2.002  -5.045
  415   2HD   PRO  53          HD1       PRO  53   3.471   2.384  -3.690
  416    H    GLY  54           HN       GLY  54   3.903   0.554  -7.014
  417   1HA   GLY  54          HA2       GLY  54   3.250  -1.177  -9.125
  418   2HA   GLY  54          HA1       GLY  54   4.916  -0.711  -8.739
  419    H    PHE  55           HN       PHE  55   4.531  -1.877  -5.960
  420    HA   PHE  55           HA       PHE  55   5.400  -4.575  -6.656
  421   1HB   PHE  55          HB2       PHE  55   6.513  -3.904  -4.748
  422   2HB   PHE  55          HB1       PHE  55   5.154  -2.949  -4.164
  423    HD1  PHE  55           HD1      PHE  55   5.202  -6.540  -5.230
  424    HD2  PHE  55           HD2      PHE  55   4.767  -3.763  -1.991
  425    HE1  PHE  55           HE1      PHE  55   4.497  -8.383  -3.748
  426    HE2  PHE  55           HE2      PHE  55   4.062  -5.616  -0.520
  427    HZ   PHE  55           HZ       PHE  55   3.919  -7.924  -1.390
  428    H    CYS  56           HN       CYS  56   2.602  -3.265  -4.779
  429    HA   CYS  56           HA       CYS  56   1.291  -5.739  -4.421
  430   1HB   CYS  56          HB2       CYS  56   0.302  -2.915  -4.708
  431   2HB   CYS  56          HB1       CYS  56  -0.833  -4.250  -4.490
  432    HG   CYS  56           HG       CYS  56   0.867  -4.796  -2.313
  433    H    THR  57           HN       THR  57   1.265  -3.593  -7.230
  434    HA   THR  57           HA       THR  57  -0.815  -5.015  -8.631
  435    HB   THR  57           HB       THR  57   1.463  -3.408  -9.811
  436    HG1  THR  57           HG1      THR  57  -0.252  -1.750  -9.728
  437   1HG2  THR  57          HG21      THR  57  -1.250  -3.411 -10.991
  438   2HG2  THR  57          HG22      THR  57  -0.375  -4.938 -11.105
  439   3HG2  THR  57          HG23      THR  57   0.324  -3.468 -11.785
  440    H    PHE  58           HN       PHE  58   2.664  -5.440  -8.377
  441    HA   PHE  58           HA       PHE  58   2.858  -7.315 -10.578
  442   1HB   PHE  58          HB2       PHE  58   4.694  -5.858  -9.316
  443   2HB   PHE  58          HB1       PHE  58   4.856  -7.333  -8.361
  444    HD1  PHE  58           HD1      PHE  58   5.955  -5.675 -11.261
  445    HD2  PHE  58           HD2      PHE  58   4.894  -9.578  -9.816
  446    HE1  PHE  58           HE1      PHE  58   7.273  -6.710 -13.089
  447    HE2  PHE  58           HE2      PHE  58   6.213 -10.613 -11.644
  448    HZ   PHE  58           HZ       PHE  58   7.402  -9.179 -13.280
  449    H    MET  59           HN       MET  59   2.190  -7.681  -7.118
  450    HA   MET  59           HA       MET  59   2.601 -10.584  -7.293
  451   1HB   MET  59          HB2       MET  59   2.082  -8.668  -5.127
  452   2HB   MET  59          HB1       MET  59   1.516 -10.311  -4.868
  453   1HG   MET  59          HG2       MET  59   4.344  -9.501  -5.614
  454   2HG   MET  59          HG1       MET  59   3.812 -10.042  -4.022
  455   1HE   MET  59          HE1       MET  59   6.073 -12.124  -6.520
  456   2HE   MET  59          HE2       MET  59   5.434 -10.510  -6.821
  457   3HE   MET  59          HE3       MET  59   4.853 -11.872  -7.776
  458    H    GLU  60           HN       GLU  60   0.179  -8.710  -8.365
  459    HA   GLU  60           HA       GLU  60  -1.907  -9.462  -9.207
  460   1HB   GLU  60          HB2       GLU  60  -2.525 -11.649  -9.037
  461   2HB   GLU  60          HB1       GLU  60  -0.880 -11.851  -8.446
  462   1HG   GLU  60          HG2       GLU  60  -2.090 -11.215  -6.120
  463   2HG   GLU  60          HG1       GLU  60  -3.456 -11.956  -6.957
  464    H    HIS  61           HN       HIS  61  -1.242  -7.827  -6.743
  465    HA   HIS  61           HA       HIS  61  -3.726  -8.149  -5.173
  466   1HB   HIS  61          HB2       HIS  61  -1.465  -6.163  -4.782
  467   2HB   HIS  61          HB1       HIS  61  -2.709  -6.607  -3.623
  468    HD1  HIS  61           HD1      HIS  61  -2.128  -9.721  -4.944
  469    HD2  HIS  61           HD2      HIS  61   0.264  -7.264  -2.573
  470    HE1  HIS  61           HE1      HIS  61  -0.416 -11.228  -3.853
  471    H    GLU  62           HN       GLU  62  -4.775  -5.835  -4.665
  472    HA   GLU  62           HA       GLU  62  -4.818  -4.349  -7.263
  473   1HB   GLU  62          HB2       GLU  62  -7.005  -5.366  -5.538
  474   2HB   GLU  62          HB1       GLU  62  -7.260  -3.820  -6.328
  475   1HG   GLU  62          HG2       GLU  62  -7.167  -4.746  -8.465
  476   2HG   GLU  62          HG1       GLU  62  -6.190  -6.117  -7.937
  477    H    LEU  63           HN       LEU  63  -4.845  -2.167  -7.180
  478    HA   LEU  63           HA       LEU  63  -4.239  -0.862  -4.597
  479   1HB   LEU  63          HB2       LEU  63  -2.906   0.094  -6.280
  480   2HB   LEU  63          HB1       LEU  63  -4.163  -0.066  -7.503
  481    HG   LEU  63           HG       LEU  63  -5.463   1.718  -6.198
  482   1HD1  LEU  63          HD11      LEU  63  -4.599   2.529  -4.284
  483   2HD1  LEU  63          HD12      LEU  63  -3.088   2.931  -5.098
  484   3HD1  LEU  63          HD13      LEU  63  -3.313   1.329  -4.398
  485   1HD2  LEU  63          HD21      LEU  63  -4.635   3.194  -7.700
  486   2HD2  LEU  63          HD22      LEU  63  -3.548   1.895  -8.192
  487   3HD2  LEU  63          HD23      LEU  63  -3.011   3.098  -7.020
  488    H    VAL  64           HN       VAL  64  -6.188  -0.768  -3.410
  489    HA   VAL  64           HA       VAL  64  -8.692  -0.453  -4.741
  490    HB   VAL  64           HB       VAL  64  -7.816  -0.325  -1.853
  491   1HG1  VAL  64          HG11      VAL  64  -9.849   0.914  -1.973
  492   2HG1  VAL  64          HG12      VAL  64 -10.300  -0.721  -1.481
  493   3HG1  VAL  64          HG13      VAL  64 -10.532  -0.205  -3.151
  494   1HG2  VAL  64          HG21      VAL  64  -9.599  -2.445  -2.811
  495   2HG2  VAL  64          HG22      VAL  64  -8.108  -2.567  -1.877
  496   3HG2  VAL  64          HG23      VAL  64  -8.041  -2.430  -3.634
  497    H    ALA  65           HN       ALA  65  -6.754   1.884  -2.730
  498    HA   ALA  65           HA       ALA  65  -8.044   4.015  -4.370
  499   1HB   ALA  65          HB1       ALA  65  -8.195   5.178  -1.898
  500   2HB   ALA  65          HB2       ALA  65  -8.598   3.503  -1.519
  501   3HB   ALA  65          HB3       ALA  65  -9.548   4.391  -2.710
  502    H    LYS  66           HN       LYS  66  -6.477   5.595  -4.881
  503    HA   LYS  66           HA       LYS  66  -3.961   5.417  -3.353
  504   1HB   LYS  66          HB2       LYS  66  -4.320   7.166  -5.728
  505   2HB   LYS  66          HB1       LYS  66  -2.894   6.269  -5.211
  506   1HG   LYS  66          HG2       LYS  66  -3.565   4.903  -6.873
  507   2HG   LYS  66          HG1       LYS  66  -4.563   4.225  -5.616
  508   1HD   LYS  66          HD2       LYS  66  -6.350   4.675  -6.913
  509   2HD   LYS  66          HD1       LYS  66  -6.033   6.386  -6.622
  510   1HE   LYS  66          HE2       LYS  66  -4.560   6.473  -8.580
  511   2HE   LYS  66          HE1       LYS  66  -4.800   4.748  -8.857
  512   1HZ   LYS  66          HZ1       LYS  66  -6.462   6.934  -9.593
  513   2HZ   LYS  66          HZ2       LYS  66  -7.324   5.807  -8.659
  514   3HZ   LYS  66          HZ3       LYS  66  -6.541   5.313 -10.084
  515    H    GLU  67           HN       GLU  67  -2.869   7.396  -2.817
  516    HA   GLU  67           HA       GLU  67  -4.618   9.749  -2.420
  517   1HB   GLU  67          HB2       GLU  67  -3.336   8.079  -0.374
  518   2HB   GLU  67          HB1       GLU  67  -3.292   9.801  -0.111
  519   1HG   GLU  67          HG2       GLU  67  -5.915   9.054  -1.011
  520   2HG   GLU  67          HG1       GLU  67  -5.462   8.035   0.356
  521    H    THR  68           HN       THR  68  -3.552  11.316  -3.512
  522    HA   THR  68           HA       THR  68  -0.635  11.683  -2.970
  523    HB   THR  68           HB       THR  68  -0.181  12.083  -5.303
  524    HG1  THR  68           HG1      THR  68  -2.963  12.139  -5.420
  525   1HG2  THR  68          HG21      THR  68  -0.582   9.907  -6.248
  526   2HG2  THR  68          HG22      THR  68  -1.983   9.653  -5.207
  527   3HG2  THR  68          HG23      THR  68  -0.362   9.686  -4.512
  528    H    ASP  69           HN       ASP  69  -3.067  12.948  -1.917
  529    HA   ASP  69           HA       ASP  69  -3.321  15.535  -3.245
  530   1HB   ASP  69          HB2       ASP  69  -4.261  14.622  -0.521
  531   2HB   ASP  69          HB1       ASP  69  -4.762  16.112  -1.324
  532    H    GLY  70           HN       GLY  70  -0.857  14.321  -1.607
  533   1HA   GLY  70          HA2       GLY  70   0.937  16.107  -1.296
  534   2HA   GLY  70          HA1       GLY  70  -0.197  16.790  -0.160
  535    H    LEU  71           HN       LEU  71   2.434  15.162  -0.247
  536    HA   LEU  71           HA       LEU  71   2.482  12.826   1.089
  537   1HB   LEU  71          HB2       LEU  71   4.129  15.239   1.867
  538   2HB   LEU  71          HB1       LEU  71   4.488  13.585   2.323
  539    HG   LEU  71           HG       LEU  71   4.048  14.103  -0.543
  540   1HD1  LEU  71          HD11      LEU  71   6.178  15.355   1.079
  541   2HD1  LEU  71          HD12      LEU  71   5.567  15.810  -0.512
  542   3HD1  LEU  71          HD13      LEU  71   6.739  14.501  -0.360
  543   1HD2  LEU  71          HD21      LEU  71   5.812  12.354   1.166
  544   2HD2  LEU  71          HD22      LEU  71   6.025  12.471  -0.581
  545   3HD2  LEU  71          HD23      LEU  71   4.512  11.856   0.085
  546    HA   PRO  72           HA       PRO  72   3.368  11.771   2.498
  547   1HB   PRO  72          HB2       PRO  72   2.408   9.717   4.012
  548   2HB   PRO  72          HB1       PRO  72   3.632  10.853   4.613
  549   1HG   PRO  72          HG2       PRO  72   0.730  10.706   5.240
  550   2HG   PRO  72          HG1       PRO  72   2.057  11.275   6.269
  551   1HD   PRO  72          HD2       PRO  72   0.245  12.925   4.862
  552   2HD   PRO  72          HD1       PRO  72   1.804  13.452   5.535
  553    H    TYR  73           HN       TYR  73   2.808  10.188   0.978
  554    HA   TYR  73           HA       TYR  73   0.205  10.275  -0.207
  555   1HB   TYR  73          HB2       TYR  73   2.112   8.049  -0.658
  556   2HB   TYR  73          HB1       TYR  73   1.009   8.791  -1.809
  557    HD1  TYR  73           HD1      TYR  73   4.266   8.694  -0.481
  558    HD2  TYR  73           HD2      TYR  73   1.491  11.246  -2.483
  559    HE1  TYR  73           HE1      TYR  73   6.162  10.056  -1.309
  560    HE2  TYR  73           HE2      TYR  73   3.349  12.668  -3.283
  561    HH   TYR  73           HH       TYR  73   6.749  11.857  -2.490
  562    H    ARG  74           HN       ARG  74  -1.192   8.304  -0.523
  563    HA   ARG  74           HA       ARG  74  -0.731   6.165   1.410
  564   1HB   ARG  74          HB2       ARG  74  -3.105   8.003   1.477
  565   2HB   ARG  74          HB1       ARG  74  -3.237   6.323   2.009
  566   1HG   ARG  74          HG2       ARG  74  -1.886   6.619   3.804
  567   2HG   ARG  74          HG1       ARG  74  -0.945   7.869   3.026
  568   1HD   ARG  74          HD2       ARG  74  -3.366   9.104   3.171
  569   2HD   ARG  74          HD1       ARG  74  -3.431   8.097   4.617
  570    HE   ARG  74           HE       ARG  74  -1.003   9.750   4.233
  571   1HH1  ARG  74          HH21      ARG  74  -4.188  10.215   5.168
  572   2HH1  ARG  74          HH22      ARG  74  -3.825  10.811   6.753
  573   1HH2  ARG  74          HH11      ARG  74  -0.445  10.065   6.547
  574   2HH2  ARG  74          HH12      ARG  74  -1.706  10.727   7.532
  575    H    TYR  75           HN       TYR  75  -1.870   4.292   0.837
  576    HA   TYR  75           HA       TYR  75  -3.379   4.357  -1.665
  577   1HB   TYR  75          HB2       TYR  75  -1.173   2.395  -1.605
  578   2HB   TYR  75          HB1       TYR  75  -1.949   3.176  -2.983
  579    HD1  TYR  75           HD1      TYR  75  -1.500   5.751  -3.254
  580    HD2  TYR  75           HD2      TYR  75   0.798   3.136  -0.823
  581    HE1  TYR  75           HE1      TYR  75   0.402   7.337  -3.394
  582    HE2  TYR  75           HE2      TYR  75   2.733   4.708  -0.924
  583    HH   TYR  75           HH       TYR  75   3.463   6.663  -1.685
  584    H    LEU  76           HN       LEU  76  -5.065   2.933  -1.334
  585    HA   LEU  76           HA       LEU  76  -4.735   1.009   0.779
  586   1HB   LEU  76          HB2       LEU  76  -6.914   2.126   0.591
  587   2HB   LEU  76          HB1       LEU  76  -7.108   1.489  -1.024
  588    HG   LEU  76           HG       LEU  76  -6.712  -0.811   0.042
  589   1HD1  LEU  76          HD11      LEU  76  -7.879   0.117   2.542
  590   2HD1  LEU  76          HD12      LEU  76  -6.255   0.754   2.282
  591   3HD1  LEU  76          HD13      LEU  76  -6.530  -0.988   2.274
  592   1HD2  LEU  76          HD21      LEU  76  -9.233  -0.084   1.144
  593   2HD2  LEU  76          HD22      LEU  76  -8.881  -0.955  -0.348
  594   3HD2  LEU  76          HD23      LEU  76  -8.974   0.807  -0.354
  595    H    ILE  77           HN       ILE  77  -4.893  -1.351   0.219
  596    HA   ILE  77           HA       ILE  77  -4.902  -1.885  -2.675
  597    HB   ILE  77           HB       ILE  77  -2.760  -2.914  -0.809
  598   1HG1  ILE  77          HG12      ILE  77  -2.900  -0.532  -2.647
  599   2HG1  ILE  77          HG11      ILE  77  -2.315  -0.610  -0.990
  600   1HG2  ILE  77          HG21      ILE  77  -3.619  -3.994  -3.158
  601   2HG2  ILE  77          HG22      ILE  77  -1.955  -4.102  -2.595
  602   3HG2  ILE  77          HG23      ILE  77  -2.411  -2.858  -3.757
  603   1HD1  ILE  77          HD11      ILE  77  -0.318  -1.753  -1.651
  604   2HD1  ILE  77          HD12      ILE  77  -0.509  -0.398  -2.761
  605   3HD1  ILE  77          HD13      ILE  77  -0.933  -2.027  -3.280
  606    H    ARG  78           HN       ARG  78  -6.612  -3.287  -2.813
  607    HA   ARG  78           HA       ARG  78  -7.304  -5.053  -0.620
  608   1HB   ARG  78          HB2       ARG  78  -9.039  -4.351  -2.171
  609   2HB   ARG  78          HB1       ARG  78  -8.150  -5.036  -3.530
  610   1HG   ARG  78          HG2       ARG  78  -8.301  -7.279  -2.264
  611   2HG   ARG  78          HG1       ARG  78  -9.535  -6.492  -1.279
  612   1HD   ARG  78          HD2       ARG  78 -10.337  -5.819  -3.819
  613   2HD   ARG  78          HD1       ARG  78  -9.681  -7.438  -4.065
  614    HE   ARG  78           HE       ARG  78 -11.465  -8.308  -2.775
  615   1HH1  ARG  78          HH11      ARG  78 -11.213  -6.587  -0.377
  616   2HH1  ARG  78          HH12      ARG  78 -12.674  -5.657  -0.419
  617   1HH2  ARG  78          HH21      ARG  78 -13.349  -6.377  -3.743
  618   2HH2  ARG  78          HH22      ARG  78 -13.884  -5.539  -2.325
  619    H    LYS  79           HN       LYS  79  -5.871  -6.647  -0.071
  620    HA   LYS  79           HA       LYS  79  -3.933  -7.835  -1.778
  621   1HB   LYS  79          HB2       LYS  79  -4.195  -7.952   0.812
  622   2HB   LYS  79          HB1       LYS  79  -5.211  -9.355   0.483
  623   1HG   LYS  79          HG2       LYS  79  -2.421  -9.039  -0.647
  624   2HG   LYS  79          HG1       LYS  79  -2.754  -9.875   0.870
  625   1HD   LYS  79          HD2       LYS  79  -4.541 -11.151  -0.627
  626   2HD   LYS  79          HD1       LYS  79  -3.449 -10.674  -1.926
  627   1HE   LYS  79          HE2       LYS  79  -1.556 -11.694  -0.689
  628   2HE   LYS  79          HE1       LYS  79  -2.677 -12.216   0.568
  629   1HZ   LYS  79          HZ1       LYS  79  -2.423 -13.162  -2.203
  630   2HZ   LYS  79          HZ2       LYS  79  -3.929 -13.266  -1.423
  631   3HZ   LYS  79          HZ3       LYS  79  -2.576 -14.058  -0.772
  632    H    GLY  80           HN       GLY  80  -4.113  -9.408  -3.305
  633   1HA   GLY  80          HA2       GLY  80  -6.590 -11.057  -3.354
  634   2HA   GLY  80          HA1       GLY  80  -6.115 -10.179  -4.809
  635    H    GLY  81           HN       GLY  81  -6.137 -12.583  -5.530
  636   1HA   GLY  81          HA2       GLY  81  -4.187 -13.759  -6.627
  637   2HA   GLY  81          HA1       GLY  81  -3.423 -13.736  -5.035
  Start of MODEL   12
    1   1H    MET   1          HT1       MET   1 -22.478   5.387  -3.454
    2   2H    MET   1          HT2       MET   1 -22.273   6.605  -2.288
    3   3H    MET   1          HT3       MET   1 -22.219   4.970  -1.831
    4    HA   MET   1           HA       MET   1 -20.272   4.873  -3.547
    5   1HB   MET   1          HB2       MET   1 -20.303   7.760  -2.613
    6   2HB   MET   1          HB1       MET   1 -18.995   6.988  -3.510
    7   1HG   MET   1          HG2       MET   1 -20.832   6.405  -5.255
    8   2HG   MET   1          HG1       MET   1 -21.779   7.656  -4.448
    9   1HE   MET   1          HE1       MET   1 -20.326   8.150  -7.875
   10   2HE   MET   1          HE2       MET   1 -21.180   9.579  -7.300
   11   3HE   MET   1          HE3       MET   1 -21.778   7.977  -6.879
   12    H    THR   2           HN       THR   2 -19.941   3.367  -1.791
   13    HA   THR   2           HA       THR   2 -19.440   4.140   0.910
   14    HB   THR   2           HB       THR   2 -19.894   1.814   0.323
   15    HG1  THR   2           HG1      THR   2 -17.203   1.846   1.131
   16   1HG2  THR   2          HG21      THR   2 -18.493   2.152  -1.891
   17   2HG2  THR   2          HG22      THR   2 -18.619   0.556  -1.152
   18   3HG2  THR   2          HG23      THR   2 -17.174   1.533  -0.897
   19    H    ASP   3           HN       ASP   3 -17.319   4.153   2.013
   20    HA   ASP   3           HA       ASP   3 -15.380   5.747   0.542
   21   1HB   ASP   3          HB2       ASP   3 -15.839   4.925   3.324
   22   2HB   ASP   3          HB1       ASP   3 -14.131   4.988   2.889
   23    H    LEU   4           HN       LEU   4 -13.143   5.118   0.175
   24    HA   LEU   4           HA       LEU   4 -12.893   2.206  -0.374
   25   1HB   LEU   4          HB2       LEU   4 -11.284   4.596  -1.323
   26   2HB   LEU   4          HB1       LEU   4 -10.903   2.922  -1.733
   27    HG   LEU   4           HG       LEU   4 -13.388   4.487  -2.462
   28   1HD1  LEU   4          HD11      LEU   4 -12.420   3.151  -4.678
   29   2HD1  LEU   4          HD12      LEU   4 -10.943   3.584  -3.817
   30   3HD1  LEU   4          HD13      LEU   4 -12.090   4.838  -4.287
   31   1HD2  LEU   4          HD21      LEU   4 -12.870   1.524  -2.373
   32   2HD2  LEU   4          HD22      LEU   4 -13.929   2.191  -3.616
   33   3HD2  LEU   4          HD23      LEU   4 -14.323   2.410  -1.912
   34    H    PHE   5           HN       PHE   5 -11.229   4.874   1.290
   35    HA   PHE   5           HA       PHE   5  -9.196   3.033   2.348
   36   1HB   PHE   5          HB2       PHE   5  -9.665   5.979   2.397
   37   2HB   PHE   5          HB1       PHE   5  -8.708   5.282   3.705
   38    HD1  PHE   5           HD1      PHE   5  -6.731   6.551   2.834
   39    HD2  PHE   5           HD2      PHE   5  -8.704   3.546   0.503
   40    HE1  PHE   5           HE1      PHE   5  -4.779   6.394   1.322
   41    HE2  PHE   5           HE2      PHE   5  -6.725   3.414  -0.977
   42    HZ   PHE   5           HZ       PHE   5  -4.764   4.891  -0.601
   43    H    SER   6           HN       SER   6 -12.248   3.075   3.048
   44    HA   SER   6           HA       SER   6 -12.719   3.801   5.695
   45   1HB   SER   6          HB2       SER   6 -13.578   1.235   4.323
   46   2HB   SER   6          HB1       SER   6 -14.283   1.869   5.807
   47    HG   SER   6           HG       SER   6 -14.917   3.706   4.650
   48    H    SER   7           HN       SER   7 -12.869   2.071   7.586
   49    HA   SER   7           HA       SER   7 -10.311   1.454   8.489
   50   1HB   SER   7          HB2       SER   7 -11.328   0.039  10.120
   51   2HB   SER   7          HB1       SER   7 -12.526   1.279   9.763
   52    HG   SER   7           HG       SER   7 -13.775  -0.197   8.935
   53    HA   PRO   8           HA       PRO   8  -9.485  -1.719   5.385
   54   1HB   PRO   8          HB2       PRO   8  -6.757  -1.564   5.663
   55   2HB   PRO   8          HB1       PRO   8  -7.704  -0.468   4.645
   56   1HG   PRO   8          HG2       PRO   8  -6.464   0.050   7.311
   57   2HG   PRO   8          HG1       PRO   8  -6.813   1.184   5.998
   58   1HD   PRO   8          HD2       PRO   8  -8.352   0.866   8.338
   59   2HD   PRO   8          HD1       PRO   8  -8.874   1.699   6.861
   60    H    ASP   9           HN       ASP   9  -8.225  -3.821   5.556
   61    HA   ASP   9           HA       ASP   9  -8.615  -4.967   8.229
   62   1HB   ASP   9          HB2       ASP   9  -7.623  -6.164   5.624
   63   2HB   ASP   9          HB1       ASP   9  -7.878  -7.087   7.106
   64    H    HIS  10           HN       HIS  10  -5.995  -3.729   6.309
   65    HA   HIS  10           HA       HIS  10  -4.130  -4.345   8.546
   66   1HB   HIS  10          HB2       HIS  10  -3.851  -5.129   5.654
   67   2HB   HIS  10          HB1       HIS  10  -2.418  -4.799   6.621
   68    HD1  HIS  10           HD1      HIS  10  -1.559  -6.747   7.934
   69    HD2  HIS  10           HD2      HIS  10  -5.609  -7.158   7.031
   70    HE1  HIS  10           HE1      HIS  10  -2.260  -9.021   8.804
   71    H    THR  11           HN       THR  11  -2.011  -3.028   8.156
   72    HA   THR  11           HA       THR  11  -2.466  -0.603   6.519
   73    HB   THR  11           HB       THR  11  -1.738  -0.504   9.445
   74    HG1  THR  11           HG1      THR  11  -3.783  -0.092   9.832
   75   1HG2  THR  11          HG21      THR  11  -2.339   1.676   7.425
   76   2HG2  THR  11          HG22      THR  11  -0.757   1.311   8.113
   77   3HG2  THR  11          HG23      THR  11  -2.042   1.941   9.144
   78    H    LEU  12           HN       LEU  12  -0.437   0.657   6.298
   79    HA   LEU  12           HA       LEU  12   2.044  -0.771   7.095
   80   1HB   LEU  12          HB2       LEU  12   1.757  -1.698   4.912
   81   2HB   LEU  12          HB1       LEU  12   1.232  -0.152   4.253
   82    HG   LEU  12           HG       LEU  12   3.445   0.773   4.311
   83   1HD1  LEU  12          HD11      LEU  12   3.953  -1.450   6.297
   84   2HD1  LEU  12          HD12      LEU  12   4.227   0.281   6.483
   85   3HD1  LEU  12          HD13      LEU  12   5.291  -0.671   5.456
   86   1HD2  LEU  12          HD21      LEU  12   3.417  -2.147   3.555
   87   2HD2  LEU  12          HD22      LEU  12   4.894  -1.193   3.419
   88   3HD2  LEU  12          HD23      LEU  12   3.462  -0.728   2.510
   89    H    ASP  13           HN       ASP  13   2.996   0.900   8.230
   90    HA   ASP  13           HA       ASP  13   2.708   3.676   7.351
   91   1HB   ASP  13          HB2       ASP  13   3.060   3.170   9.742
   92   2HB   ASP  13          HB1       ASP  13   4.606   2.409   9.363
   93    H    ALA  14           HN       ALA  14   4.194   4.787   5.997
   94    HA   ALA  14           HA       ALA  14   6.732   3.390   5.401
   95   1HB   ALA  14          HB1       ALA  14   6.375   2.997   3.205
   96   2HB   ALA  14          HB2       ALA  14   5.361   4.426   3.004
   97   3HB   ALA  14          HB3       ALA  14   4.687   2.957   3.712
   98    H    LEU  15           HN       LEU  15   5.517   5.795   6.669
   99    HA   LEU  15           HA       LEU  15   6.647   8.092   5.317
  100   1HB   LEU  15          HB2       LEU  15   5.839   7.921   8.210
  101   2HB   LEU  15          HB1       LEU  15   5.827   9.295   7.124
  102    HG   LEU  15           HG       LEU  15   4.073   6.896   6.684
  103   1HD1  LEU  15          HD11      LEU  15   2.440   7.773   8.016
  104   2HD1  LEU  15          HD12      LEU  15   2.890   9.437   7.642
  105   3HD1  LEU  15          HD13      LEU  15   3.805   8.526   8.843
  106   1HD2  LEU  15          HD21      LEU  15   4.672   9.392   5.289
  107   2HD2  LEU  15          HD22      LEU  15   2.949   9.188   5.601
  108   3HD2  LEU  15          HD23      LEU  15   3.832   7.956   4.703
  109    H    GLY  16           HN       GLY  16   8.793   8.010   5.195
  110   1HA   GLY  16          HA2       GLY  16  10.968   8.371   6.236
  111   2HA   GLY  16          HA1       GLY  16  10.355   7.569   7.690
  112    H    LEU  17           HN       LEU  17   9.079   5.772   5.334
  113    HA   LEU  17           HA       LEU  17  11.198   3.729   5.464
  114   1HB   LEU  17          HB2       LEU  17   8.365   3.692   4.378
  115   2HB   LEU  17          HB1       LEU  17   9.465   2.323   4.302
  116    HG   LEU  17           HG       LEU  17   8.039   3.486   6.641
  117   1HD1  LEU  17          HD11      LEU  17   8.926   0.722   5.758
  118   2HD1  LEU  17          HD12      LEU  17   7.309   1.402   5.573
  119   3HD1  LEU  17          HD13      LEU  17   7.940   1.049   7.182
  120   1HD2  LEU  17          HD21      LEU  17   9.705   2.275   8.117
  121   2HD2  LEU  17          HD22      LEU  17  10.281   3.784   7.407
  122   3HD2  LEU  17          HD23      LEU  17  10.785   2.237   6.723
  123    H    ARG  18           HN       ARG  18  12.130   2.936   3.526
  124    HA   ARG  18           HA       ARG  18  11.283   4.358   1.075
  125   1HB   ARG  18          HB2       ARG  18  13.768   4.778   0.567
  126   2HB   ARG  18          HB1       ARG  18  12.946   5.822   1.726
  127   1HG   ARG  18          HG2       ARG  18  14.761   5.339   3.036
  128   2HG   ARG  18          HG1       ARG  18  13.841   3.880   3.400
  129   1HD   ARG  18          HD2       ARG  18  14.998   2.909   1.274
  130   2HD   ARG  18          HD1       ARG  18  16.147   4.227   1.498
  131    HE   ARG  18           HE       ARG  18  16.210   3.184   3.961
  132   1HH1  ARG  18          HH21      ARG  18  17.413   2.175   1.053
  133   2HH1  ARG  18          HH22      ARG  18  17.637   0.514   1.493
  134   1HH2  ARG  18          HH11      ARG  18  15.896   0.795   4.478
  135   2HH2  ARG  18          HH12      ARG  18  16.777  -0.267   3.431
  136    H    CYS  19           HN       CYS  19  11.869   3.261  -0.828
  137    HA   CYS  19           HA       CYS  19  11.726   0.477  -0.775
  138   1HB   CYS  19          HB2       CYS  19  11.443   1.556  -2.863
  139   2HB   CYS  19          HB1       CYS  19  13.034   2.308  -2.789
  140    HG   CYS  19           HG       CYS  19  13.691  -0.507  -2.761
  141    HA   PRO  20           HA       PRO  20  12.201  -1.283  -1.458
  142   1HB   PRO  20          HB2       PRO  20  13.021  -3.705  -0.496
  143   2HB   PRO  20          HB1       PRO  20  13.650  -3.009  -2.001
  144   1HG   PRO  20          HG2       PRO  20  14.989  -3.268   0.644
  145   2HG   PRO  20          HG1       PRO  20  15.710  -3.137  -0.965
  146   1HD   PRO  20          HD2       PRO  20  15.449  -1.057   0.973
  147   2HD   PRO  20          HD1       PRO  20  16.014  -0.890  -0.704
  148    H    GLU  21           HN       GLU  21  13.090  -0.404   1.616
  149    HA   GLU  21           HA       GLU  21  11.924  -2.179   3.397
  150   1HB   GLU  21          HB2       GLU  21  12.318   0.746   3.494
  151   2HB   GLU  21          HB1       GLU  21  11.448  -0.039   4.802
  152   1HG   GLU  21          HG2       GLU  21  13.540  -1.721   4.610
  153   2HG   GLU  21          HG1       GLU  21  14.319  -0.244   4.039
  154    HA   PRO  22           HA       PRO  22   7.699  -0.011   3.204
  155   1HB   PRO  22          HB2       PRO  22   7.192   1.325   0.851
  156   2HB   PRO  22          HB1       PRO  22   7.789   2.103   2.313
  157   1HG   PRO  22          HG2       PRO  22   9.266   1.396  -0.177
  158   2HG   PRO  22          HG1       PRO  22   9.569   2.713   0.970
  159   1HD   PRO  22          HD2       PRO  22  11.020   0.340   0.858
  160   2HD   PRO  22          HD1       PRO  22  10.965   1.408   2.266
  161    H    VAL  23           HN       VAL  23   8.584  -0.478  -0.197
  162    HA   VAL  23           HA       VAL  23   6.460  -2.140  -0.972
  163    HB   VAL  23           HB       VAL  23   9.381  -2.454  -1.719
  164   1HG1  VAL  23          HG11      VAL  23   8.039  -3.135  -3.940
  165   2HG1  VAL  23          HG12      VAL  23   6.817  -3.584  -2.750
  166   3HG1  VAL  23          HG13      VAL  23   8.421  -4.316  -2.687
  167   1HG2  VAL  23          HG21      VAL  23   7.389  -0.391  -2.314
  168   2HG2  VAL  23          HG22      VAL  23   8.056  -1.121  -3.774
  169   3HG2  VAL  23          HG23      VAL  23   9.131  -0.377  -2.591
  170    H    MET  24           HN       MET  24   9.209  -2.782   1.112
  171    HA   MET  24           HA       MET  24   8.965  -5.686   1.023
  172   1HB   MET  24          HB2       MET  24  10.429  -3.716   2.762
  173   2HB   MET  24          HB1       MET  24  10.339  -5.413   3.231
  174   1HG   MET  24          HG2       MET  24  11.019  -5.069   0.406
  175   2HG   MET  24          HG1       MET  24  12.199  -4.321   1.482
  176   1HE   MET  24          HE1       MET  24  13.793  -7.724   0.455
  177   2HE   MET  24          HE2       MET  24  14.096  -6.001   0.671
  178   3HE   MET  24          HE3       MET  24  12.862  -6.535  -0.467
  179    H    MET  25           HN       MET  25   7.804  -3.138   3.208
  180    HA   MET  25           HA       MET  25   6.697  -4.877   5.178
  181   1HB   MET  25          HB2       MET  25   6.229  -2.029   4.365
  182   2HB   MET  25          HB1       MET  25   5.112  -2.792   5.497
  183   1HG   MET  25          HG2       MET  25   8.043  -3.107   5.995
  184   2HG   MET  25          HG1       MET  25   7.307  -1.545   6.354
  185   1HE   MET  25          HE1       MET  25   8.273  -1.843   8.356
  186   2HE   MET  25          HE2       MET  25   8.334  -3.364   9.241
  187   3HE   MET  25          HE3       MET  25   7.192  -2.115   9.730
  188    H    VAL  26           HN       VAL  26   5.276  -3.436   2.230
  189    HA   VAL  26           HA       VAL  26   2.653  -4.536   2.639
  190    HB   VAL  26           HB       VAL  26   4.125  -3.872   0.074
  191   1HG1  VAL  26          HG11      VAL  26   2.357  -4.663  -1.094
  192   2HG1  VAL  26          HG12      VAL  26   1.222  -3.802  -0.059
  193   3HG1  VAL  26          HG13      VAL  26   1.785  -5.408   0.396
  194   1HG2  VAL  26          HG21      VAL  26   2.171  -2.039   0.288
  195   2HG2  VAL  26          HG22      VAL  26   3.758  -1.801   1.017
  196   3HG2  VAL  26          HG23      VAL  26   2.411  -2.376   2.002
  197    H    ARG  27           HN       ARG  27   5.654  -5.869   1.447
  198    HA   ARG  27           HA       ARG  27   4.566  -8.200   0.161
  199   1HB   ARG  27          HB2       ARG  27   7.241  -7.451   1.281
  200   2HB   ARG  27          HB1       ARG  27   6.921  -9.152   0.919
  201   1HG   ARG  27          HG2       ARG  27   6.235  -7.068  -1.122
  202   2HG   ARG  27          HG1       ARG  27   7.912  -7.575  -0.943
  203   1HD   ARG  27          HD2       ARG  27   6.101  -9.855  -0.957
  204   2HD   ARG  27          HD1       ARG  27   5.952  -8.897  -2.427
  205    HE   ARG  27           HE       ARG  27   8.580  -9.117  -2.422
  206   1HH1  ARG  27          HH11      ARG  27   6.096 -11.415  -2.332
  207   2HH1  ARG  27          HH12      ARG  27   7.147 -12.789  -2.250
  208   1HH2  ARG  27          HH21      ARG  27  10.029 -10.892  -1.891
  209   2HH2  ARG  27          HH22      ARG  27   9.375 -12.493  -1.999
  210    H    LYS  28           HN       LYS  28   6.072  -7.854   3.343
  211    HA   LYS  28           HA       LYS  28   5.426 -10.446   4.325
  212   1HB   LYS  28          HB2       LYS  28   6.043  -7.817   5.668
  213   2HB   LYS  28          HB1       LYS  28   5.595  -9.229   6.626
  214   1HG   LYS  28          HG2       LYS  28   7.445 -10.325   4.954
  215   2HG   LYS  28          HG1       LYS  28   8.079  -8.687   5.110
  216   1HD   LYS  28          HD2       LYS  28   7.229  -9.575   7.698
  217   2HD   LYS  28          HD1       LYS  28   8.263 -10.819   6.992
  218   1HE   LYS  28          HE2       LYS  28   9.847  -9.420   7.975
  219   2HE   LYS  28          HE1       LYS  28   9.783  -8.771   6.337
  220   1HZ   LYS  28          HZ1       LYS  28   9.614  -7.116   8.216
  221   2HZ   LYS  28          HZ2       LYS  28   8.063  -7.741   8.513
  222   3HZ   LYS  28          HZ3       LYS  28   8.417  -7.012   7.018
  223    H    THR  29           HN       THR  29   3.710  -7.392   4.445
  224    HA   THR  29           HA       THR  29   1.473  -8.239   6.037
  225    HB   THR  29           HB       THR  29   2.212  -6.021   4.211
  226    HG1  THR  29           HG1      THR  29   2.473  -6.098   6.544
  227   1HG2  THR  29          HG21      THR  29  -0.105  -6.686   3.474
  228   2HG2  THR  29          HG22      THR  29   0.032  -5.043   4.088
  229   3HG2  THR  29          HG23      THR  29  -0.659  -6.307   5.105
  230    H    VAL  30           HN       VAL  30   2.328  -8.285   2.671
  231    HA   VAL  30           HA       VAL  30  -0.211  -9.163   1.618
  232    HB   VAL  30           HB       VAL  30   2.653  -9.100   0.678
  233   1HG1  VAL  30          HG11      VAL  30   1.737  -9.960  -1.543
  234   2HG1  VAL  30          HG12      VAL  30   0.358 -10.549  -0.613
  235   3HG1  VAL  30          HG13      VAL  30   1.979 -11.152  -0.265
  236   1HG2  VAL  30          HG21      VAL  30   0.287  -8.040  -0.829
  237   2HG2  VAL  30          HG22      VAL  30   1.937  -7.423  -0.767
  238   3HG2  VAL  30          HG23      VAL  30   0.848  -7.168   0.597
  239    H    ARG  31           HN       ARG  31   2.569 -10.616   3.081
  240    HA   ARG  31           HA       ARG  31   1.929 -13.372   2.392
  241   1HB   ARG  31          HB2       ARG  31   3.748 -12.177   4.509
  242   2HB   ARG  31          HB1       ARG  31   3.668 -13.895   4.117
  243   1HG   ARG  31          HG2       ARG  31   4.247 -13.263   1.721
  244   2HG   ARG  31          HG1       ARG  31   4.576 -11.640   2.312
  245   1HD   ARG  31          HD2       ARG  31   6.660 -12.886   2.249
  246   2HD   ARG  31          HD1       ARG  31   6.213 -12.597   3.931
  247    HE   ARG  31           HE       ARG  31   5.103 -15.077   3.341
  248   1HH1  ARG  31          HH21      ARG  31   7.904 -13.814   4.576
  249   2HH1  ARG  31          HH22      ARG  31   8.907 -15.185   4.238
  250   1HH2  ARG  31          HH11      ARG  31   6.524 -16.776   2.283
  251   2HH2  ARG  31          HH12      ARG  31   8.126 -16.862   2.939
  252    H    ASN  32           HN       ASN  32   1.219 -11.099   4.984
  253    HA   ASN  32           HA       ASN  32  -0.168 -13.278   6.483
  254   1HB   ASN  32          HB2       ASN  32  -0.232 -11.754   8.367
  255   2HB   ASN  32          HB1       ASN  32   1.409 -11.776   7.728
  256   1HD2  ASN  32          HD21      ASN  32   1.783  -9.594   8.616
  257   2HD2  ASN  32          HD22      ASN  32   1.114  -8.228   7.866
  258    H    MET  33           HN       MET  33  -0.920 -11.372   4.010
  259    HA   MET  33           HA       MET  33  -3.543 -10.463   5.050
  260   1HB   MET  33          HB2       MET  33  -1.870  -9.813   2.670
  261   2HB   MET  33          HB1       MET  33  -3.619  -9.701   2.478
  262   1HG   MET  33          HG2       MET  33  -3.406  -8.429   4.819
  263   2HG   MET  33          HG1       MET  33  -1.798  -8.085   4.201
  264   1HE   MET  33          HE1       MET  33  -5.637  -7.394   1.834
  265   2HE   MET  33          HE2       MET  33  -5.765  -7.297   3.588
  266   3HE   MET  33          HE3       MET  33  -5.174  -8.776   2.836
  267    H    GLN  34           HN       GLN  34  -5.422 -10.859   3.524
  268    HA   GLN  34           HA       GLN  34  -5.266 -13.586   2.313
  269   1HB   GLN  34          HB2       GLN  34  -7.609 -12.440   3.868
  270   2HB   GLN  34          HB1       GLN  34  -7.485 -14.069   3.198
  271   1HG   GLN  34          HG2       GLN  34  -5.975 -14.767   4.813
  272   2HG   GLN  34          HG1       GLN  34  -5.351 -13.139   5.080
  273   1HE2  GLN  34          HE21      GLN  34  -6.478 -11.766   6.595
  274   2HE2  GLN  34          HE22      GLN  34  -7.734 -12.345   7.580
  275    HA   PRO  35           HA       PRO  35  -7.026 -11.602  -1.167
  276   1HB   PRO  35          HB2       PRO  35  -8.406 -13.725  -2.272
  277   2HB   PRO  35          HB1       PRO  35  -6.650 -13.517  -2.386
  278   1HG   PRO  35          HG2       PRO  35  -8.214 -15.378  -0.644
  279   2HG   PRO  35          HG1       PRO  35  -6.586 -15.573  -1.313
  280   1HD   PRO  35          HD2       PRO  35  -7.155 -14.839   1.337
  281   2HD   PRO  35          HD1       PRO  35  -5.595 -14.589   0.521
  282    H    GLY  36           HN       GLY  36  -8.687 -10.241  -1.115
  283   1HA   GLY  36          HA2       GLY  36 -11.091  -9.786  -1.234
  284   2HA   GLY  36          HA1       GLY  36 -11.345 -11.159  -0.144
  285    H    GLU  37           HN       GLU  37  -8.593  -9.174   0.465
  286    HA   GLU  37           HA       GLU  37 -10.049  -7.899   2.753
  287   1HB   GLU  37          HB2       GLU  37  -7.429  -9.316   2.580
  288   2HB   GLU  37          HB1       GLU  37  -7.539  -7.935   3.663
  289   1HG   GLU  37          HG2       GLU  37  -8.108 -10.134   4.754
  290   2HG   GLU  37          HG1       GLU  37  -9.395  -8.932   4.855
  291    H    THR  38           HN       THR  38  -8.334  -6.043   3.610
  292    HA   THR  38           HA       THR  38  -7.410  -4.536   1.209
  293    HB   THR  38           HB       THR  38  -8.368  -2.485   2.628
  294    HG1  THR  38           HG1      THR  38  -9.194  -4.391   4.057
  295   1HG2  THR  38          HG21      THR  38 -10.268  -4.179   1.009
  296   2HG2  THR  38          HG22      THR  38  -8.917  -3.325   0.263
  297   3HG2  THR  38          HG23      THR  38 -10.179  -2.420   1.101
  298    H    LEU  39           HN       LEU  39  -5.849  -2.866   1.711
  299    HA   LEU  39           HA       LEU  39  -4.648  -2.940   4.436
  300   1HB   LEU  39          HB2       LEU  39  -3.363  -4.613   3.300
  301   2HB   LEU  39          HB1       LEU  39  -3.246  -3.633   1.840
  302    HG   LEU  39           HG       LEU  39  -2.114  -1.915   3.560
  303   1HD1  LEU  39          HD11      LEU  39  -1.939  -4.619   4.826
  304   2HD1  LEU  39          HD12      LEU  39  -2.146  -3.040   5.580
  305   3HD1  LEU  39          HD13      LEU  39  -0.569  -3.519   4.963
  306   1HD2  LEU  39          HD21      LEU  39  -0.965  -2.627   1.589
  307   2HD2  LEU  39          HD22      LEU  39  -0.869  -4.291   2.164
  308   3HD2  LEU  39          HD23      LEU  39   0.102  -3.036   2.932
  309    H    LEU  40           HN       LEU  40  -4.555  -0.774   4.967
  310    HA   LEU  40           HA       LEU  40  -4.350   1.243   2.827
  311   1HB   LEU  40          HB2       LEU  40  -5.892   1.860   4.542
  312   2HB   LEU  40          HB1       LEU  40  -4.772   1.393   5.823
  313    HG   LEU  40           HG       LEU  40  -3.241   3.218   5.125
  314   1HD1  LEU  40          HD11      LEU  40  -3.531   4.381   3.204
  315   2HD1  LEU  40          HD12      LEU  40  -5.251   4.618   3.516
  316   3HD1  LEU  40          HD13      LEU  40  -4.689   3.127   2.759
  317   1HD2  LEU  40          HD21      LEU  40  -4.971   3.609   6.869
  318   2HD2  LEU  40          HD22      LEU  40  -6.090   4.147   5.617
  319   3HD2  LEU  40          HD23      LEU  40  -4.627   5.073   5.949
  320    H    ILE  41           HN       ILE  41  -2.475   2.491   2.520
  321    HA   ILE  41           HA       ILE  41  -0.172   1.826   4.302
  322    HB   ILE  41           HB       ILE  41   0.089   2.089   1.306
  323   1HG1  ILE  41          HG12      ILE  41  -0.681  -0.317   2.975
  324   2HG1  ILE  41          HG11      ILE  41  -1.400   0.263   1.486
  325   1HG2  ILE  41          HG21      ILE  41   2.013   0.361   2.301
  326   2HG2  ILE  41          HG22      ILE  41   1.825   1.523   3.605
  327   3HG2  ILE  41          HG23      ILE  41   2.249   2.077   1.987
  328   1HD1  ILE  41          HD11      ILE  41   0.719  -1.639   1.801
  329   2HD1  ILE  41          HD12      ILE  41   1.314  -0.251   0.890
  330   3HD1  ILE  41          HD13      ILE  41  -0.101  -1.137   0.324
  331    H    ILE  42           HN       ILE  42   1.136   3.585   4.786
  332    HA   ILE  42           HA       ILE  42   0.502   6.126   3.378
  333    HB   ILE  42           HB       ILE  42   1.770   5.833   6.106
  334   1HG1  ILE  42          HG12      ILE  42  -1.100   5.795   5.248
  335   2HG1  ILE  42          HG11      ILE  42  -0.316   4.930   6.571
  336   1HG2  ILE  42          HG21      ILE  42   1.456   8.153   6.284
  337   2HG2  ILE  42          HG22      ILE  42   0.202   8.175   5.047
  338   3HG2  ILE  42          HG23      ILE  42   1.886   7.968   4.587
  339   1HD1  ILE  42          HD11      ILE  42  -1.712   6.679   7.502
  340   2HD1  ILE  42          HD12      ILE  42  -0.946   7.882   6.463
  341   3HD1  ILE  42          HD13      ILE  42  -0.018   7.107   7.747
  342    H    ALA  43           HN       ALA  43   2.394   7.455   2.956
  343    HA   ALA  43           HA       ALA  43   5.026   6.305   3.420
  344   1HB   ALA  43          HB1       ALA  43   5.512   5.441   1.362
  345   2HB   ALA  43          HB2       ALA  43   4.522   6.631   0.518
  346   3HB   ALA  43          HB3       ALA  43   3.764   5.229   1.273
  347    H    ASP  44           HN       ASP  44   6.389   7.994   3.587
  348    HA   ASP  44           HA       ASP  44   5.543  10.533   2.295
  349   1HB   ASP  44          HB2       ASP  44   6.978  11.717   3.834
  350   2HB   ASP  44          HB1       ASP  44   5.967  10.637   4.783
  351    H    ASP  45           HN       ASP  45   7.828   7.948   2.447
  352    HA   ASP  45           HA       ASP  45   9.983   9.163   1.020
  353   1HB   ASP  45          HB2       ASP  45  10.480   7.109   1.915
  354   2HB   ASP  45          HB1       ASP  45   8.930   6.439   1.459
  355    HA   PRO  46           HA       PRO  46   7.962   9.752  -2.870
  356   1HB   PRO  46          HB2       PRO  46  10.221  10.198  -4.368
  357   2HB   PRO  46          HB1       PRO  46   9.519  11.403  -3.274
  358   1HG   PRO  46          HG2       PRO  46  11.972   9.747  -2.920
  359   2HG   PRO  46          HG1       PRO  46  11.569  11.318  -2.210
  360   1HD   PRO  46          HD2       PRO  46  11.410   8.810  -0.903
  361   2HD   PRO  46          HD1       PRO  46  10.723  10.335  -0.322
  362    H    ALA  47           HN       ALA  47  10.337   7.320  -2.301
  363    HA   ALA  47           HA       ALA  47   9.969   6.041  -4.936
  364   1HB   ALA  47          HB1       ALA  47  11.605   4.428  -4.183
  365   2HB   ALA  47          HB2       ALA  47  11.436   4.964  -2.512
  366   3HB   ALA  47          HB3       ALA  47  12.175   6.028  -3.707
  367    H    THR  48           HN       THR  48   8.181   6.143  -2.139
  368    HA   THR  48           HA       THR  48   7.380   3.303  -2.178
  369    HB   THR  48           HB       THR  48   5.700   4.175  -0.426
  370    HG1  THR  48           HG1      THR  48   7.028   6.286   0.307
  371   1HG2  THR  48          HG21      THR  48   8.288   4.886   0.701
  372   2HG2  THR  48          HG22      THR  48   8.377   3.428  -0.284
  373   3HG2  THR  48          HG23      THR  48   7.248   3.511   1.068
  374    H    THR  49           HN       THR  49   6.023   6.476  -3.020
  375    HA   THR  49           HA       THR  49   3.405   5.615  -3.707
  376    HB   THR  49           HB       THR  49   3.125   7.683  -4.704
  377    HG1  THR  49           HG1      THR  49   4.284   7.517  -6.508
  378   1HG2  THR  49          HG21      THR  49   5.775   8.540  -3.684
  379   2HG2  THR  49          HG22      THR  49   4.701   7.764  -2.521
  380   3HG2  THR  49          HG23      THR  49   4.175   9.215  -3.375
  381    H    ARG  50           HN       ARG  50   6.463   5.412  -5.401
  382    HA   ARG  50           HA       ARG  50   5.086   4.331  -7.802
  383   1HB   ARG  50          HB2       ARG  50   7.913   5.185  -7.224
  384   2HB   ARG  50          HB1       ARG  50   7.495   4.307  -8.694
  385   1HG   ARG  50          HG2       ARG  50   5.810   6.048  -9.239
  386   2HG   ARG  50          HG1       ARG  50   6.293   6.942  -7.796
  387   1HD   ARG  50          HD2       ARG  50   7.746   7.986  -9.201
  388   2HD   ARG  50          HD1       ARG  50   8.716   6.527  -8.996
  389    HE   ARG  50           HE       ARG  50   6.755   6.305 -11.147
  390   1HH1  ARG  50          HH11      ARG  50   8.672   8.747 -11.458
  391   2HH1  ARG  50          HH12      ARG  50   9.876   8.049 -12.490
  392   1HH2  ARG  50          HH21      ARG  50   8.834   4.786 -11.942
  393   2HH2  ARG  50          HH22      ARG  50   9.966   5.807 -12.765
  394    H    ASP  51           HN       ASP  51   7.381   3.265  -5.327
  395    HA   ASP  51           HA       ASP  51   7.647   0.645  -6.623
  396   1HB   ASP  51          HB2       ASP  51   8.727   1.676  -3.986
  397   2HB   ASP  51          HB1       ASP  51   9.191   0.155  -4.759
  398    H    ILE  52           HN       ILE  52   6.257   1.791  -3.525
  399    HA   ILE  52           HA       ILE  52   5.565  -0.751  -2.533
  400    HB   ILE  52           HB       ILE  52   4.556   2.007  -2.086
  401   1HG1  ILE  52          HG12      ILE  52   5.521  -0.277  -0.352
  402   2HG1  ILE  52          HG11      ILE  52   6.437   1.155  -0.825
  403   1HG2  ILE  52          HG21      ILE  52   2.956   0.721  -0.337
  404   2HG2  ILE  52          HG22      ILE  52   2.926  -0.454  -1.649
  405   3HG2  ILE  52          HG23      ILE  52   2.398   1.202  -1.938
  406   1HD1  ILE  52          HD11      ILE  52   3.887   1.848   0.405
  407   2HD1  ILE  52          HD12      ILE  52   5.512   2.398   0.811
  408   3HD1  ILE  52          HD13      ILE  52   4.900   0.885   1.480
  409    HA   PRO  53           HA       PRO  53   1.427  -0.535  -4.802
  410   1HB   PRO  53          HB2       PRO  53   1.241   1.303  -6.834
  411   2HB   PRO  53          HB1       PRO  53   0.659   1.565  -5.181
  412   1HG   PRO  53          HG2       PRO  53   3.088   2.654  -6.529
  413   2HG   PRO  53          HG1       PRO  53   2.148   3.343  -5.194
  414   1HD   PRO  53          HD2       PRO  53   4.609   2.015  -4.933
  415   2HD   PRO  53          HD1       PRO  53   3.468   2.332  -3.608
  416    H    GLY  54           HN       GLY  54   4.032   0.603  -6.993
  417   1HA   GLY  54          HA2       GLY  54   3.424  -1.065  -9.167
  418   2HA   GLY  54          HA1       GLY  54   5.082  -0.618  -8.729
  419    H    PHE  55           HN       PHE  55   4.629  -1.857  -5.997
  420    HA   PHE  55           HA       PHE  55   5.506  -4.542  -6.731
  421   1HB   PHE  55          HB2       PHE  55   6.565  -3.921  -4.781
  422   2HB   PHE  55          HB1       PHE  55   5.202  -2.957  -4.223
  423    HD1  PHE  55           HD1      PHE  55   5.233  -6.541  -5.319
  424    HD2  PHE  55           HD2      PHE  55   4.757  -3.779  -2.075
  425    HE1  PHE  55           HE1      PHE  55   4.471  -8.388  -3.861
  426    HE2  PHE  55           HE2      PHE  55   3.994  -5.626  -0.631
  427    HZ   PHE  55           HZ       PHE  55   3.844  -7.932  -1.516
  428    H    CYS  56           HN       CYS  56   2.646  -3.259  -4.931
  429    HA   CYS  56           HA       CYS  56   1.332  -5.768  -4.710
  430   1HB   CYS  56          HB2       CYS  56   0.324  -2.930  -4.857
  431   2HB   CYS  56          HB1       CYS  56  -0.782  -4.290  -4.668
  432    HG   CYS  56           HG       CYS  56   1.126  -3.233  -2.513
  433    H    THR  57           HN       THR  57   1.272  -3.429  -7.384
  434    HA   THR  57           HA       THR  57  -0.786  -4.764  -8.865
  435    HB   THR  57           HB       THR  57   1.510  -3.154 -10.001
  436    HG1  THR  57           HG1      THR  57  -0.110  -1.442  -9.776
  437   1HG2  THR  57          HG21      THR  57  -1.137  -4.136 -10.975
  438   2HG2  THR  57          HG22      THR  57   0.392  -3.983 -11.841
  439   3HG2  THR  57          HG23      THR  57  -0.589  -2.553 -11.525
  440    H    PHE  58           HN       PHE  58   2.701  -5.238  -8.684
  441    HA   PHE  58           HA       PHE  58   2.768  -7.080 -10.937
  442   1HB   PHE  58          HB2       PHE  58   4.679  -5.617  -9.800
  443   2HB   PHE  58          HB1       PHE  58   4.906  -7.087  -8.852
  444    HD1  PHE  58           HD1      PHE  58   5.702  -5.444 -11.896
  445    HD2  PHE  58           HD2      PHE  58   4.970  -9.332 -10.225
  446    HE1  PHE  58           HE1      PHE  58   6.906  -6.488 -13.797
  447    HE2  PHE  58           HE2      PHE  58   6.174 -10.376 -12.125
  448    HZ   PHE  58           HZ       PHE  58   7.142  -8.954 -13.911
  449    H    MET  59           HN       MET  59   2.100  -7.414  -7.520
  450    HA   MET  59           HA       MET  59   2.568 -10.330  -7.690
  451   1HB   MET  59          HB2       MET  59   2.278  -8.399  -5.494
  452   2HB   MET  59          HB1       MET  59   1.749 -10.046  -5.179
  453   1HG   MET  59          HG2       MET  59   4.119 -10.467  -6.485
  454   2HG   MET  59          HG1       MET  59   4.472  -8.993  -5.587
  455   1HE   MET  59          HE1       MET  59   3.483 -13.131  -4.552
  456   2HE   MET  59          HE2       MET  59   5.215 -12.832  -4.678
  457   3HE   MET  59          HE3       MET  59   4.146 -12.333  -5.985
  458    H    GLU  60           HN       GLU  60   0.192  -8.642  -8.812
  459    HA   GLU  60           HA       GLU  60  -2.007  -9.228  -9.385
  460   1HB   GLU  60          HB2       GLU  60  -1.503 -11.649  -7.631
  461   2HB   GLU  60          HB1       GLU  60  -2.929 -11.402  -8.630
  462   1HG   GLU  60          HG2       GLU  60  -0.532 -10.952 -10.186
  463   2HG   GLU  60          HG1       GLU  60  -0.489 -12.548  -9.435
  464    H    HIS  61           HN       HIS  61  -1.311  -7.594  -7.018
  465    HA   HIS  61           HA       HIS  61  -3.589  -8.124  -5.208
  466   1HB   HIS  61          HB2       HIS  61  -1.442  -5.984  -5.056
  467   2HB   HIS  61          HB1       HIS  61  -2.570  -6.439  -3.785
  468    HD1  HIS  61           HD1      HIS  61  -1.941  -9.547  -5.107
  469    HD2  HIS  61           HD2      HIS  61   0.478  -6.955  -2.919
  470    HE1  HIS  61           HE1      HIS  61  -0.091 -10.955  -4.130
  471    H    GLU  62           HN       GLU  62  -4.772  -5.887  -4.604
  472    HA   GLU  62           HA       GLU  62  -5.216  -4.494  -7.214
  473   1HB   GLU  62          HB2       GLU  62  -7.137  -5.322  -5.060
  474   2HB   GLU  62          HB1       GLU  62  -7.550  -4.066  -6.215
  475   1HG   GLU  62          HG2       GLU  62  -6.730  -6.909  -6.897
  476   2HG   GLU  62          HG1       GLU  62  -8.363  -6.250  -7.008
  477    H    LEU  63           HN       LEU  63  -5.171  -2.325  -7.196
  478    HA   LEU  63           HA       LEU  63  -4.396  -0.938  -4.702
  479   1HB   LEU  63          HB2       LEU  63  -3.158  -0.099  -6.533
  480   2HB   LEU  63          HB1       LEU  63  -4.530  -0.205  -7.630
  481    HG   LEU  63           HG       LEU  63  -5.621   1.631  -6.194
  482   1HD1  LEU  63          HD11      LEU  63  -4.515   2.237  -4.328
  483   2HD1  LEU  63          HD12      LEU  63  -3.233   2.882  -5.353
  484   3HD1  LEU  63          HD13      LEU  63  -3.142   1.222  -4.765
  485   1HD2  LEU  63          HD21      LEU  63  -4.914   3.073  -7.791
  486   2HD2  LEU  63          HD22      LEU  63  -3.959   1.723  -8.404
  487   3HD2  LEU  63          HD23      LEU  63  -3.225   2.900  -7.315
  488    H    VAL  64           HN       VAL  64  -6.282  -0.789  -3.410
  489    HA   VAL  64           HA       VAL  64  -8.838  -0.455  -4.646
  490    HB   VAL  64           HB       VAL  64  -7.855  -0.322  -1.794
  491   1HG1  VAL  64          HG11      VAL  64  -9.869   0.948  -1.841
  492   2HG1  VAL  64          HG12      VAL  64 -10.342  -0.680  -1.349
  493   3HG1  VAL  64          HG13      VAL  64 -10.605  -0.147  -3.009
  494   1HG2  VAL  64          HG21      VAL  64  -8.191  -2.557  -1.785
  495   2HG2  VAL  64          HG22      VAL  64  -8.178  -2.436  -3.545
  496   3HG2  VAL  64          HG23      VAL  64  -9.708  -2.414  -2.671
  497    H    ALA  65           HN       ALA  65  -6.814   1.853  -2.678
  498    HA   ALA  65           HA       ALA  65  -8.077   3.991  -4.333
  499   1HB   ALA  65          HB1       ALA  65  -8.707   3.478  -1.528
  500   2HB   ALA  65          HB2       ALA  65  -9.526   4.523  -2.690
  501   3HB   ALA  65          HB3       ALA  65  -8.128   5.122  -1.798
  502    H    LYS  66           HN       LYS  66  -6.503   5.540  -4.874
  503    HA   LYS  66           HA       LYS  66  -3.967   5.342  -3.381
  504   1HB   LYS  66          HB2       LYS  66  -4.324   7.042  -5.791
  505   2HB   LYS  66          HB1       LYS  66  -2.910   6.124  -5.274
  506   1HG   LYS  66          HG2       LYS  66  -3.637   4.739  -6.894
  507   2HG   LYS  66          HG1       LYS  66  -4.629   4.112  -5.609
  508   1HD   LYS  66          HD2       LYS  66  -6.388   4.526  -6.970
  509   2HD   LYS  66          HD1       LYS  66  -6.126   6.225  -6.576
  510   1HE   LYS  66          HE2       LYS  66  -4.323   6.050  -8.513
  511   2HE   LYS  66          HE1       LYS  66  -5.338   4.704  -9.032
  512   1HZ   LYS  66          HZ1       LYS  66  -6.625   6.234  -9.969
  513   2HZ   LYS  66          HZ2       LYS  66  -5.832   7.512  -9.181
  514   3HZ   LYS  66          HZ3       LYS  66  -7.102   6.691  -8.408
  515    H    GLU  67           HN       GLU  67  -2.843   7.289  -2.869
  516    HA   GLU  67           HA       GLU  67  -4.532   9.697  -2.530
  517   1HB   GLU  67          HB2       GLU  67  -3.265   8.053  -0.447
  518   2HB   GLU  67          HB1       GLU  67  -3.205   9.777  -0.227
  519   1HG   GLU  67          HG2       GLU  67  -5.835   9.135  -1.081
  520   2HG   GLU  67          HG1       GLU  67  -5.413   8.004   0.206
  521    H    THR  68           HN       THR  68  -3.427  11.198  -3.680
  522    HA   THR  68           HA       THR  68  -0.510  11.528  -3.135
  523    HB   THR  68           HB       THR  68   0.042  11.686  -5.434
  524    HG1  THR  68           HG1      THR  68  -1.515  11.879  -7.024
  525   1HG2  THR  68          HG21      THR  68  -2.081   9.531  -5.402
  526   2HG2  THR  68          HG22      THR  68  -0.522   9.357  -4.595
  527   3HG2  THR  68          HG23      THR  68  -0.591   9.562  -6.345
  528    H    ASP  69           HN       ASP  69  -2.915  12.881  -2.175
  529    HA   ASP  69           HA       ASP  69  -3.122  15.401  -3.638
  530   1HB   ASP  69          HB2       ASP  69  -4.062  14.731  -0.844
  531   2HB   ASP  69          HB1       ASP  69  -4.609  16.089  -1.831
  532    H    GLY  70           HN       GLY  70  -0.683  14.237  -1.929
  533   1HA   GLY  70          HA2       GLY  70   1.145  15.983  -1.689
  534   2HA   GLY  70          HA1       GLY  70   0.013  16.771  -0.620
  535    H    LEU  71           HN       LEU  71   2.603  15.100  -0.521
  536    HA   LEU  71           HA       LEU  71   2.562  12.844   0.943
  537   1HB   LEU  71          HB2       LEU  71   4.233  15.271   1.613
  538   2HB   LEU  71          HB1       LEU  71   4.531  13.656   2.222
  539    HG   LEU  71           HG       LEU  71   4.223  13.935  -0.693
  540   1HD1  LEU  71          HD11      LEU  71   5.694  15.837  -0.116
  541   2HD1  LEU  71          HD12      LEU  71   6.594  14.572  -0.950
  542   3HD1  LEU  71          HD13      LEU  71   6.732  14.745   0.799
  543   1HD2  LEU  71          HD21      LEU  71   5.899  12.310   1.220
  544   2HD2  LEU  71          HD22      LEU  71   6.126  12.245  -0.527
  545   3HD2  LEU  71          HD23      LEU  71   4.591  11.742   0.184
  546    HA   PRO  72           HA       PRO  72   3.352  11.845   2.431
  547   1HB   PRO  72          HB2       PRO  72   2.274   9.905   4.014
  548   2HB   PRO  72          HB1       PRO  72   3.508  11.037   4.599
  549   1HG   PRO  72          HG2       PRO  72   0.581  11.002   5.126
  550   2HG   PRO  72          HG1       PRO  72   1.887  11.595   6.169
  551   1HD   PRO  72          HD2       PRO  72   0.174  13.206   4.601
  552   2HD   PRO  72          HD1       PRO  72   1.718  13.732   5.310
  553    H    TYR  73           HN       TYR  73   2.808  10.173   0.991
  554    HA   TYR  73           HA       TYR  73   0.225  10.256  -0.278
  555   1HB   TYR  73          HB2       TYR  73   2.129   8.008  -0.620
  556   2HB   TYR  73          HB1       TYR  73   1.055   8.722  -1.811
  557    HD1  TYR  73           HD1      TYR  73   4.268   8.657  -0.387
  558    HD2  TYR  73           HD2      TYR  73   1.580  11.130  -2.590
  559    HE1  TYR  73           HE1      TYR  73   6.193   9.980  -1.188
  560    HE2  TYR  73           HE2      TYR  73   3.472  12.509  -3.383
  561    HH   TYR  73           HH       TYR  73   6.829  11.774  -2.363
  562    H    ARG  74           HN       ARG  74  -1.121   8.233  -0.596
  563    HA   ARG  74           HA       ARG  74  -0.708   6.154   1.385
  564   1HB   ARG  74          HB2       ARG  74  -2.989   8.074   1.469
  565   2HB   ARG  74          HB1       ARG  74  -3.271   6.378   1.878
  566   1HG   ARG  74          HG2       ARG  74  -1.967   6.439   3.726
  567   2HG   ARG  74          HG1       ARG  74  -0.903   7.662   3.080
  568   1HD   ARG  74          HD2       ARG  74  -3.760   8.287   3.816
  569   2HD   ARG  74          HD1       ARG  74  -2.459   8.383   5.003
  570    HE   ARG  74           HE       ARG  74  -1.820   9.865   2.594
  571   1HH1  ARG  74          HH21      ARG  74  -1.824  10.260   5.804
  572   2HH1  ARG  74          HH22      ARG  74  -2.600  11.808   5.851
  573   1HH2  ARG  74          HH11      ARG  74  -3.591  11.707   2.530
  574   2HH2  ARG  74          HH12      ARG  74  -3.601  12.628   3.998
  575    H    TYR  75           HN       TYR  75  -1.870   4.254   0.817
  576    HA   TYR  75           HA       TYR  75  -3.388   4.324  -1.674
  577   1HB   TYR  75          HB2       TYR  75  -1.187   2.360  -1.672
  578   2HB   TYR  75          HB1       TYR  75  -1.965   3.178  -3.026
  579    HD1  TYR  75           HD1      TYR  75  -1.473   5.742  -3.274
  580    HD2  TYR  75           HD2      TYR  75   0.782   3.075  -0.858
  581    HE1  TYR  75           HE1      TYR  75   0.446   7.311  -3.378
  582    HE2  TYR  75           HE2      TYR  75   2.733   4.628  -0.927
  583    HH   TYR  75           HH       TYR  75   3.333   6.786  -1.437
  584    H    LEU  76           HN       LEU  76  -5.058   2.897  -1.319
  585    HA   LEU  76           HA       LEU  76  -4.690   0.956   0.770
  586   1HB   LEU  76          HB2       LEU  76  -6.855   2.079   0.666
  587   2HB   LEU  76          HB1       LEU  76  -7.104   1.484  -0.958
  588    HG   LEU  76           HG       LEU  76  -6.723  -0.847   0.034
  589   1HD1  LEU  76          HD11      LEU  76  -7.720   0.206   2.606
  590   2HD1  LEU  76          HD12      LEU  76  -6.017   0.514   2.262
  591   3HD1  LEU  76          HD13      LEU  76  -6.627  -1.141   2.285
  592   1HD2  LEU  76          HD21      LEU  76  -8.958   0.811  -0.247
  593   2HD2  LEU  76          HD22      LEU  76  -9.180  -0.082   1.256
  594   3HD2  LEU  76          HD23      LEU  76  -8.907  -0.950  -0.254
  595    H    ILE  77           HN       ILE  77  -4.920  -1.406   0.209
  596    HA   ILE  77           HA       ILE  77  -5.012  -1.933  -2.679
  597    HB   ILE  77           HB       ILE  77  -2.872  -3.092  -0.902
  598   1HG1  ILE  77          HG12      ILE  77  -2.910  -0.615  -2.622
  599   2HG1  ILE  77          HG11      ILE  77  -2.379  -0.776  -0.952
  600   1HG2  ILE  77          HG21      ILE  77  -3.501  -4.353  -2.965
  601   2HG2  ILE  77          HG22      ILE  77  -1.856  -3.727  -3.048
  602   3HG2  ILE  77          HG23      ILE  77  -3.152  -2.914  -3.922
  603   1HD1  ILE  77          HD11      ILE  77  -0.995  -2.135  -3.276
  604   2HD1  ILE  77          HD12      ILE  77  -0.426  -2.021  -1.611
  605   3HD1  ILE  77          HD13      ILE  77  -0.497  -0.577  -2.620
  606    H    ARG  78           HN       ARG  78  -6.728  -3.320  -2.806
  607    HA   ARG  78           HA       ARG  78  -7.482  -5.039  -0.595
  608   1HB   ARG  78          HB2       ARG  78  -8.503  -4.362  -3.229
  609   2HB   ARG  78          HB1       ARG  78  -8.597  -6.101  -2.956
  610   1HG   ARG  78          HG2       ARG  78  -9.423  -4.967  -0.537
  611   2HG   ARG  78          HG1       ARG  78 -10.188  -3.975  -1.776
  612   1HD   ARG  78          HD2       ARG  78 -10.265  -7.000  -1.808
  613   2HD   ARG  78          HD1       ARG  78 -11.521  -6.013  -1.060
  614    HE   ARG  78           HE       ARG  78 -10.873  -5.435  -3.891
  615   1HH1  ARG  78          HH11      ARG  78 -12.394  -8.032  -2.643
  616   2HH1  ARG  78          HH12      ARG  78 -13.992  -7.639  -3.185
  617   1HH2  ARG  78          HH21      ARG  78 -13.170  -4.400  -4.110
  618   2HH2  ARG  78          HH22      ARG  78 -14.431  -5.584  -4.014
  619    H    LYS  79           HN       LYS  79  -6.137  -6.700  -0.004
  620    HA   LYS  79           HA       LYS  79  -4.186  -7.967  -1.635
  621   1HB   LYS  79          HB2       LYS  79  -4.098  -8.234   0.758
  622   2HB   LYS  79          HB1       LYS  79  -5.698  -8.972   0.792
  623   1HG   LYS  79          HG2       LYS  79  -4.159 -10.789   0.931
  624   2HG   LYS  79          HG1       LYS  79  -4.726 -10.785  -0.739
  625   1HD   LYS  79          HD2       LYS  79  -2.610  -9.099  -0.955
  626   2HD   LYS  79          HD1       LYS  79  -2.042 -10.147   0.347
  627   1HE   LYS  79          HE2       LYS  79  -3.085 -11.101  -2.337
  628   2HE   LYS  79          HE1       LYS  79  -1.385 -11.027  -1.873
  629   1HZ   LYS  79          HZ1       LYS  79  -2.407 -13.244  -1.578
  630   2HZ   LYS  79          HZ2       LYS  79  -3.446 -12.581  -0.408
  631   3HZ   LYS  79          HZ3       LYS  79  -1.768 -12.603  -0.143
  632    H    GLY  80           HN       GLY  80  -4.398  -9.447  -3.237
  633   1HA   GLY  80          HA2       GLY  80  -6.488 -11.439  -3.298
  634   2HA   GLY  80          HA1       GLY  80  -6.818 -10.140  -4.446
  635    H    GLY  81           HN       GLY  81  -6.513 -12.182  -5.895
  636   1HA   GLY  81          HA2       GLY  81  -3.828 -11.984  -7.066
  637   2HA   GLY  81          HA1       GLY  81  -4.235 -13.579  -6.429
  Start of MODEL   13
    1   1H    MET   1          HT1       MET   1 -16.656  11.474  -5.818
    2   2H    MET   1          HT2       MET   1 -15.658  12.529  -4.936
    3   3H    MET   1          HT3       MET   1 -16.926  11.705  -4.160
    4    HA   MET   1           HA       MET   1 -15.107   9.929  -5.487
    5   1HB   MET   1          HB2       MET   1 -13.373  10.272  -3.627
    6   2HB   MET   1          HB1       MET   1 -13.384  11.475  -4.917
    7   1HG   MET   1          HG2       MET   1 -15.249  12.167  -2.788
    8   2HG   MET   1          HG1       MET   1 -13.603  11.993  -2.182
    9   1HE   MET   1          HE1       MET   1 -11.876  12.354  -4.139
   10   2HE   MET   1          HE2       MET   1 -11.428  13.824  -3.277
   11   3HE   MET   1          HE3       MET   1 -11.722  13.885  -5.012
   12    H    THR   2           HN       THR   2 -14.867   8.036  -4.120
   13    HA   THR   2           HA       THR   2 -16.946   7.925  -1.979
   14    HB   THR   2           HB       THR   2 -16.399   5.330  -2.429
   15    HG1  THR   2           HG1      THR   2 -15.129   5.224  -4.090
   16   1HG2  THR   2          HG21      THR   2 -18.096   6.429  -4.562
   17   2HG2  THR   2          HG22      THR   2 -18.475   7.055  -2.957
   18   3HG2  THR   2          HG23      THR   2 -18.507   5.316  -3.258
   19    H    ASP   3           HN       ASP   3 -16.401   6.571  -0.073
   20    HA   ASP   3           HA       ASP   3 -13.598   7.035   0.736
   21   1HB   ASP   3          HB2       ASP   3 -15.747   5.765   2.435
   22   2HB   ASP   3          HB1       ASP   3 -14.333   6.681   2.958
   23    H    LEU   4           HN       LEU   4 -12.374   5.436  -0.295
   24    HA   LEU   4           HA       LEU   4 -13.233   2.608   0.037
   25   1HB   LEU   4          HB2       LEU   4 -11.244   4.010  -1.738
   26   2HB   LEU   4          HB1       LEU   4 -11.122   2.272  -1.466
   27    HG   LEU   4           HG       LEU   4 -13.710   3.576  -2.321
   28   1HD1  LEU   4          HD11      LEU   4 -12.806   3.952  -4.350
   29   2HD1  LEU   4          HD12      LEU   4 -12.573   2.211  -4.509
   30   3HD1  LEU   4          HD13      LEU   4 -11.280   3.219  -3.857
   31   1HD2  LEU   4          HD21      LEU   4 -13.693   1.062  -3.326
   32   2HD2  LEU   4          HD22      LEU   4 -14.297   1.442  -1.714
   33   3HD2  LEU   4          HD23      LEU   4 -12.657   0.823  -1.918
   34    H    PHE   5           HN       PHE   5 -11.211   4.922   1.471
   35    HA   PHE   5           HA       PHE   5  -9.202   2.993   2.424
   36   1HB   PHE   5          HB2       PHE   5  -9.637   5.941   2.651
   37   2HB   PHE   5          HB1       PHE   5  -8.664   5.151   3.889
   38    HD1  PHE   5           HD1      PHE   5  -6.712   6.486   3.063
   39    HD2  PHE   5           HD2      PHE   5  -8.710   3.615   0.585
   40    HE1  PHE   5           HE1      PHE   5  -4.796   6.448   1.509
   41    HE2  PHE   5           HE2      PHE   5  -6.753   3.594  -0.939
   42    HZ   PHE   5           HZ       PHE   5  -4.806   5.076  -0.512
   43    H    SER   6           HN       SER   6 -12.255   3.061   3.138
   44    HA   SER   6           HA       SER   6 -12.732   3.685   5.798
   45   1HB   SER   6          HB2       SER   6 -14.546   2.766   4.597
   46   2HB   SER   6          HB1       SER   6 -13.628   1.340   4.125
   47    HG   SER   6           HG       SER   6 -14.747   2.017   6.625
   48    H    SER   7           HN       SER   7 -12.927   1.909   7.622
   49    HA   SER   7           HA       SER   7 -10.398   1.247   8.567
   50   1HB   SER   7          HB2       SER   7 -11.685  -0.710   9.755
   51   2HB   SER   7          HB1       SER   7 -12.098   0.958  10.140
   52    HG   SER   7           HG       SER   7 -14.017   0.491   9.451
   53    HA   PRO   8           HA       PRO   8  -9.517  -1.830   5.378
   54   1HB   PRO   8          HB2       PRO   8  -6.794  -1.663   5.688
   55   2HB   PRO   8          HB1       PRO   8  -7.737  -0.545   4.692
   56   1HG   PRO   8          HG2       PRO   8  -6.528  -0.092   7.383
   57   2HG   PRO   8          HG1       PRO   8  -6.873   1.076   6.098
   58   1HD   PRO   8          HD2       PRO   8  -8.431   0.679   8.413
   59   2HD   PRO   8          HD1       PRO   8  -8.943   1.554   6.957
   60    H    ASP   9           HN       ASP   9  -8.225  -3.925   5.515
   61    HA   ASP   9           HA       ASP   9  -8.671  -5.160   8.131
   62   1HB   ASP   9          HB2       ASP   9  -7.511  -6.234   5.543
   63   2HB   ASP   9          HB1       ASP   9  -7.799  -7.216   6.980
   64    H    HIS  10           HN       HIS  10  -6.016  -3.756   6.390
   65    HA   HIS  10           HA       HIS  10  -4.242  -4.321   8.701
   66   1HB   HIS  10          HB2       HIS  10  -3.795  -5.174   5.850
   67   2HB   HIS  10          HB1       HIS  10  -2.425  -4.811   6.894
   68    HD1  HIS  10           HD1      HIS  10  -1.639  -6.725   8.306
   69    HD2  HIS  10           HD2      HIS  10  -5.623  -7.176   7.166
   70    HE1  HIS  10           HE1      HIS  10  -2.385  -8.979   9.189
   71    H    THR  11           HN       THR  11  -2.058  -3.037   8.261
   72    HA   THR  11           HA       THR  11  -2.531  -0.611   6.629
   73    HB   THR  11           HB       THR  11  -1.760  -0.509   9.544
   74    HG1  THR  11           HG1      THR  11  -4.183   0.227   8.272
   75   1HG2  THR  11          HG21      THR  11  -2.525   1.994   8.925
   76   2HG2  THR  11          HG22      THR  11  -1.957   1.478   7.336
   77   3HG2  THR  11          HG23      THR  11  -0.861   1.442   8.718
   78    H    LEU  12           HN       LEU  12  -0.505   0.651   6.391
   79    HA   LEU  12           HA       LEU  12   1.996  -0.744   7.169
   80   1HB   LEU  12          HB2       LEU  12   1.674  -1.724   5.009
   81   2HB   LEU  12          HB1       LEU  12   1.135  -0.193   4.326
   82    HG   LEU  12           HG       LEU  12   3.353   0.740   4.347
   83   1HD1  LEU  12          HD11      LEU  12   3.869  -1.464   6.345
   84   2HD1  LEU  12          HD12      LEU  12   4.186   0.263   6.491
   85   3HD1  LEU  12          HD13      LEU  12   5.207  -0.733   5.459
   86   1HD2  LEU  12          HD21      LEU  12   3.338  -0.753   2.547
   87   2HD2  LEU  12          HD22      LEU  12   3.284  -2.178   3.586
   88   3HD2  LEU  12          HD23      LEU  12   4.776  -1.249   3.435
   89    H    ASP  13           HN       ASP  13   3.054   0.942   8.184
   90    HA   ASP  13           HA       ASP  13   2.662   3.697   7.229
   91   1HB   ASP  13          HB2       ASP  13   2.993   3.405   9.622
   92   2HB   ASP  13          HB1       ASP  13   4.480   2.495   9.352
   93    H    ALA  14           HN       ALA  14   4.206   4.835   5.936
   94    HA   ALA  14           HA       ALA  14   6.734   3.431   5.356
   95   1HB   ALA  14          HB1       ALA  14   5.498   4.327   2.876
   96   2HB   ALA  14          HB2       ALA  14   4.589   3.042   3.676
   97   3HB   ALA  14          HB3       ALA  14   6.282   2.796   3.261
   98    H    LEU  15           HN       LEU  15   5.550   5.844   6.565
   99    HA   LEU  15           HA       LEU  15   6.573   8.136   5.135
  100   1HB   LEU  15          HB2       LEU  15   5.943   7.949   8.075
  101   2HB   LEU  15          HB1       LEU  15   5.883   9.340   7.015
  102    HG   LEU  15           HG       LEU  15   4.098   6.963   6.592
  103   1HD1  LEU  15          HD11      LEU  15   3.063   7.585   8.514
  104   2HD1  LEU  15          HD12      LEU  15   2.498   8.974   7.587
  105   3HD1  LEU  15          HD13      LEU  15   3.939   9.113   8.593
  106   1HD2  LEU  15          HD21      LEU  15   2.840   9.192   5.654
  107   2HD2  LEU  15          HD22      LEU  15   3.868   8.157   4.665
  108   3HD2  LEU  15          HD23      LEU  15   4.528   9.626   5.384
  109    H    GLY  16           HN       GLY  16   8.723   8.205   4.916
  110   1HA   GLY  16          HA2       GLY  16  10.954   8.530   5.788
  111   2HA   GLY  16          HA1       GLY  16  10.427   7.795   7.309
  112    H    LEU  17           HN       LEU  17   9.050   5.868   5.113
  113    HA   LEU  17           HA       LEU  17  11.193   3.851   5.241
  114   1HB   LEU  17          HB2       LEU  17   8.319   3.757   4.270
  115   2HB   LEU  17          HB1       LEU  17   9.424   2.392   4.186
  116    HG   LEU  17           HG       LEU  17   8.097   3.619   6.552
  117   1HD1  LEU  17          HD11      LEU  17   8.140   1.156   7.173
  118   2HD1  LEU  17          HD12      LEU  17   8.905   0.854   5.613
  119   3HD1  LEU  17          HD13      LEU  17   7.274   1.523   5.681
  120   1HD2  LEU  17          HD21      LEU  17   9.849   2.413   7.966
  121   2HD2  LEU  17          HD22      LEU  17  10.345   3.945   7.246
  122   3HD2  LEU  17          HD23      LEU  17  10.864   2.422   6.525
  123    H    ARG  18           HN       ARG  18  12.077   2.994   3.304
  124    HA   ARG  18           HA       ARG  18  11.127   4.315   0.832
  125   1HB   ARG  18          HB2       ARG  18  13.604   4.721   0.234
  126   2HB   ARG  18          HB1       ARG  18  12.788   5.815   1.353
  127   1HG   ARG  18          HG2       ARG  18  13.946   5.026   3.199
  128   2HG   ARG  18          HG1       ARG  18  14.199   3.433   2.485
  129   1HD   ARG  18          HD2       ARG  18  16.056   4.105   1.295
  130   2HD   ARG  18          HD1       ARG  18  15.482   5.764   1.133
  131    HE   ARG  18           HE       ARG  18  16.530   6.278   3.192
  132   1HH1  ARG  18          HH21      ARG  18  18.646   4.338   2.603
  133   2HH1  ARG  18          HH22      ARG  18  18.610   3.278   3.972
  134   1HH2  ARG  18          HH11      ARG  18  15.456   4.283   5.002
  135   2HH2  ARG  18          HH12      ARG  18  16.804   3.247   5.331
  136    H    CYS  19           HN       CYS  19  11.587   3.142  -1.035
  137    HA   CYS  19           HA       CYS  19  11.502   0.363  -0.870
  138   1HB   CYS  19          HB2       CYS  19  11.072   1.362  -2.974
  139   2HB   CYS  19          HB1       CYS  19  12.656   2.129  -3.031
  140    HG   CYS  19           HG       CYS  19  12.229  -0.389  -4.328
  141    HA   PRO  20           HA       PRO  20  11.964  -1.422  -1.518
  142   1HB   PRO  20          HB2       PRO  20  12.878  -3.787  -0.506
  143   2HB   PRO  20          HB1       PRO  20  13.406  -3.147  -2.072
  144   1HG   PRO  20          HG2       PRO  20  14.900  -3.272   0.499
  145   2HG   PRO  20          HG1       PRO  20  15.524  -3.206  -1.154
  146   1HD   PRO  20          HD2       PRO  20  15.348  -1.044   0.700
  147   2HD   PRO  20          HD1       PRO  20  15.807  -0.945  -1.014
  148    H    GLU  21           HN       GLU  21  13.004  -0.402   1.470
  149    HA   GLU  21           HA       GLU  21  11.949  -2.130   3.371
  150   1HB   GLU  21          HB2       GLU  21  12.273   0.812   3.367
  151   2HB   GLU  21          HB1       GLU  21  11.579   0.006   4.765
  152   1HG   GLU  21          HG2       GLU  21  13.637  -0.583   5.451
  153   2HG   GLU  21          HG1       GLU  21  13.896  -1.456   3.939
  154    HA   PRO  22           HA       PRO  22   7.702   0.003   3.320
  155   1HB   PRO  22          HB2       PRO  22   7.095   1.334   0.987
  156   2HB   PRO  22          HB1       PRO  22   7.765   2.119   2.415
  157   1HG   PRO  22          HG2       PRO  22   9.120   1.399  -0.138
  158   2HG   PRO  22          HG1       PRO  22   9.483   2.715   0.992
  159   1HD   PRO  22          HD2       PRO  22  10.908   0.324   0.815
  160   2HD   PRO  22          HD1       PRO  22  10.941   1.411   2.211
  161    H    VAL  23           HN       VAL  23   8.492  -0.454  -0.096
  162    HA   VAL  23           HA       VAL  23   6.387  -2.138  -0.854
  163    HB   VAL  23           HB       VAL  23   9.313  -2.399  -1.603
  164   1HG1  VAL  23          HG11      VAL  23   6.774  -3.577  -2.659
  165   2HG1  VAL  23          HG12      VAL  23   8.376  -4.303  -2.524
  166   3HG1  VAL  23          HG13      VAL  23   8.036  -3.150  -3.814
  167   1HG2  VAL  23          HG21      VAL  23   7.810  -1.120  -3.634
  168   2HG2  VAL  23          HG22      VAL  23   9.056  -0.402  -2.616
  169   3HG2  VAL  23          HG23      VAL  23   7.365  -0.332  -2.121
  170    H    MET  24           HN       MET  24   9.151  -2.752   1.216
  171    HA   MET  24           HA       MET  24   8.963  -5.654   1.116
  172   1HB   MET  24          HB2       MET  24  10.400  -3.644   2.810
  173   2HB   MET  24          HB1       MET  24  10.276  -5.303   3.390
  174   1HG   MET  24          HG2       MET  24  11.490  -6.164   1.579
  175   2HG   MET  24          HG1       MET  24  11.165  -4.757   0.567
  176   1HE   MET  24          HE1       MET  24  14.153  -6.374   2.473
  177   2HE   MET  24          HE2       MET  24  12.696  -6.307   3.460
  178   3HE   MET  24          HE3       MET  24  14.115  -5.375   3.932
  179    H    MET  25           HN       MET  25   7.775  -3.158   3.370
  180    HA   MET  25           HA       MET  25   6.660  -4.949   5.280
  181   1HB   MET  25          HB2       MET  25   6.087  -2.102   4.494
  182   2HB   MET  25          HB1       MET  25   5.023  -2.927   5.633
  183   1HG   MET  25          HG2       MET  25   8.029  -2.670   5.943
  184   2HG   MET  25          HG1       MET  25   6.837  -1.686   6.793
  185   1HE   MET  25          HE1       MET  25   5.632  -3.541   9.623
  186   2HE   MET  25          HE2       MET  25   4.670  -3.163   8.197
  187   3HE   MET  25          HE3       MET  25   5.922  -2.043   8.728
  188    H    VAL  26           HN       VAL  26   5.255  -3.502   2.335
  189    HA   VAL  26           HA       VAL  26   2.652  -4.656   2.677
  190    HB   VAL  26           HB       VAL  26   4.172  -3.930   0.159
  191   1HG1  VAL  26          HG11      VAL  26   1.247  -3.959   0.007
  192   2HG1  VAL  26          HG12      VAL  26   1.914  -5.557   0.324
  193   3HG1  VAL  26          HG13      VAL  26   2.428  -4.657  -1.099
  194   1HG2  VAL  26          HG21      VAL  26   2.224  -2.119   0.324
  195   2HG2  VAL  26          HG22      VAL  26   3.746  -1.905   1.187
  196   3HG2  VAL  26          HG23      VAL  26   2.327  -2.516   2.038
  197    H    ARG  27           HN       ARG  27   5.690  -5.954   1.508
  198    HA   ARG  27           HA       ARG  27   4.626  -8.273   0.193
  199   1HB   ARG  27          HB2       ARG  27   7.282  -7.630   1.440
  200   2HB   ARG  27          HB1       ARG  27   6.923  -9.280   0.912
  201   1HG   ARG  27          HG2       ARG  27   6.307  -7.053  -0.975
  202   2HG   ARG  27          HG1       ARG  27   7.999  -7.488  -0.747
  203   1HD   ARG  27          HD2       ARG  27   6.263  -9.826  -1.041
  204   2HD   ARG  27          HD1       ARG  27   6.232  -8.773  -2.452
  205    HE   ARG  27           HE       ARG  27   8.947  -9.138  -1.681
  206   1HH1  ARG  27          HH21      ARG  27   8.081 -11.944  -1.289
  207   2HH1  ARG  27          HH22      ARG  27   8.228 -12.616  -2.878
  208   1HH2  ARG  27          HH11      ARG  27   8.347  -9.530  -4.458
  209   2HH2  ARG  27          HH12      ARG  27   8.379 -11.249  -4.673
  210    H    LYS  28           HN       LYS  28   6.000  -7.937   3.438
  211    HA   LYS  28           HA       LYS  28   5.344 -10.555   4.352
  212   1HB   LYS  28          HB2       LYS  28   5.522  -8.026   6.023
  213   2HB   LYS  28          HB1       LYS  28   5.701  -9.682   6.604
  214   1HG   LYS  28          HG2       LYS  28   7.495  -8.431   4.507
  215   2HG   LYS  28          HG1       LYS  28   7.891  -8.497   6.225
  216   1HD   LYS  28          HD2       LYS  28   7.168 -10.982   4.666
  217   2HD   LYS  28          HD1       LYS  28   8.827 -10.387   4.750
  218   1HE   LYS  28          HE2       LYS  28   7.196 -10.809   7.251
  219   2HE   LYS  28          HE1       LYS  28   8.096 -12.134   6.514
  220   1HZ   LYS  28          HZ1       LYS  28   9.069 -10.134   8.183
  221   2HZ   LYS  28          HZ2       LYS  28   9.736  -9.853   6.646
  222   3HZ   LYS  28          HZ3       LYS  28   9.948 -11.358   7.406
  223    H    THR  29           HN       THR  29   3.622  -7.491   4.617
  224    HA   THR  29           HA       THR  29   1.319  -8.428   6.022
  225    HB   THR  29           HB       THR  29   2.123  -6.139   4.324
  226    HG1  THR  29           HG1      THR  29   2.109  -6.498   6.761
  227   1HG2  THR  29          HG21      THR  29  -0.059  -5.155   4.180
  228   2HG2  THR  29          HG22      THR  29  -0.781  -6.494   5.070
  229   3HG2  THR  29          HG23      THR  29  -0.143  -6.753   3.445
  230    H    VAL  30           HN       VAL  30   2.302  -8.355   2.688
  231    HA   VAL  30           HA       VAL  30  -0.208  -9.188   1.518
  232    HB   VAL  30           HB       VAL  30   2.678  -9.079   0.657
  233   1HG1  VAL  30          HG11      VAL  30   1.813 -11.163  -0.284
  234   2HG1  VAL  30          HG12      VAL  30   2.020  -9.952  -1.551
  235   3HG1  VAL  30          HG13      VAL  30   0.411 -10.305  -0.921
  236   1HG2  VAL  30          HG21      VAL  30   0.289  -7.961  -0.799
  237   2HG2  VAL  30          HG22      VAL  30   1.954  -7.383  -0.804
  238   3HG2  VAL  30          HG23      VAL  30   0.935  -7.125   0.612
  239    H    ARG  31           HN       ARG  31   2.532 -10.687   2.996
  240    HA   ARG  31           HA       ARG  31   1.943 -13.411   2.163
  241   1HB   ARG  31          HB2       ARG  31   3.681 -12.267   4.369
  242   2HB   ARG  31          HB1       ARG  31   3.612 -13.982   3.960
  243   1HG   ARG  31          HG2       ARG  31   4.496 -13.574   1.753
  244   2HG   ARG  31          HG1       ARG  31   4.331 -11.834   1.944
  245   1HD   ARG  31          HD2       ARG  31   6.647 -13.199   2.396
  246   2HD   ARG  31          HD1       ARG  31   6.256 -11.653   3.145
  247    HE   ARG  31           HE       ARG  31   6.139 -12.793   5.197
  248   1HH1  ARG  31          HH21      ARG  31   6.583 -15.046   2.713
  249   2HH1  ARG  31          HH22      ARG  31   6.019 -16.406   3.624
  250   1HH2  ARG  31          HH11      ARG  31   4.968 -14.501   6.323
  251   2HH2  ARG  31          HH12      ARG  31   5.105 -16.098   5.667
  252    H    ASN  32           HN       ASN  32   1.088 -11.261   4.810
  253    HA   ASN  32           HA       ASN  32  -0.308 -13.527   6.163
  254   1HB   ASN  32          HB2       ASN  32  -0.471 -12.092   8.110
  255   2HB   ASN  32          HB1       ASN  32   1.194 -12.061   7.534
  256   1HD2  ASN  32          HD21      ASN  32   1.504  -9.918   8.526
  257   2HD2  ASN  32          HD22      ASN  32   0.836  -8.529   7.816
  258    H    MET  33           HN       MET  33  -0.980 -11.341   3.820
  259    HA   MET  33           HA       MET  33  -3.642 -10.555   4.806
  260   1HB   MET  33          HB2       MET  33  -1.964  -9.894   2.431
  261   2HB   MET  33          HB1       MET  33  -3.713  -9.775   2.242
  262   1HG   MET  33          HG2       MET  33  -3.492  -8.517   4.592
  263   2HG   MET  33          HG1       MET  33  -1.881  -8.175   3.971
  264   1HE   MET  33          HE1       MET  33  -5.279  -8.822   2.556
  265   2HE   MET  33          HE2       MET  33  -5.780  -7.356   1.720
  266   3HE   MET  33          HE3       MET  33  -5.801  -7.410   3.480
  267    H    GLN  34           HN       GLN  34  -5.513 -10.952   3.275
  268    HA   GLN  34           HA       GLN  34  -5.358 -13.675   2.057
  269   1HB   GLN  34          HB2       GLN  34  -7.424 -12.514   3.933
  270   2HB   GLN  34          HB1       GLN  34  -7.818 -13.847   2.847
  271   1HG   GLN  34          HG2       GLN  34  -6.241 -15.293   3.864
  272   2HG   GLN  34          HG1       GLN  34  -5.415 -13.958   4.670
  273   1HE2  GLN  34          HE21      GLN  34  -5.783 -14.364   6.877
  274   2HE2  GLN  34          HE22      GLN  34  -7.318 -14.605   7.561
  275    HA   PRO  35           HA       PRO  35  -7.120 -11.715  -1.416
  276   1HB   PRO  35          HB2       PRO  35  -8.625 -13.783  -2.460
  277   2HB   PRO  35          HB1       PRO  35  -6.865 -13.653  -2.619
  278   1HG   PRO  35          HG2       PRO  35  -8.465 -15.410  -0.800
  279   2HG   PRO  35          HG1       PRO  35  -6.872 -15.699  -1.520
  280   1HD   PRO  35          HD2       PRO  35  -7.296 -14.910   1.132
  281   2HD   PRO  35          HD1       PRO  35  -5.766 -14.712   0.249
  282    H    GLY  36           HN       GLY  36  -8.722 -10.258  -1.372
  283   1HA   GLY  36          HA2       GLY  36 -11.076  -9.648  -1.427
  284   2HA   GLY  36          HA1       GLY  36 -11.421 -11.058  -0.416
  285    H    GLU  37           HN       GLU  37  -8.590  -9.241   0.346
  286    HA   GLU  37           HA       GLU  37 -10.024  -8.066   2.699
  287   1HB   GLU  37          HB2       GLU  37  -7.394  -9.449   2.413
  288   2HB   GLU  37          HB1       GLU  37  -7.509  -8.137   3.579
  289   1HG   GLU  37          HG2       GLU  37  -8.042 -10.318   4.623
  290   2HG   GLU  37          HG1       GLU  37  -9.433  -9.233   4.649
  291    H    THR  38           HN       THR  38  -8.279  -6.257   3.636
  292    HA   THR  38           HA       THR  38  -7.381  -4.632   1.317
  293    HB   THR  38           HB       THR  38  -8.414  -2.642   2.739
  294    HG1  THR  38           HG1      THR  38  -9.830  -3.271   4.141
  295   1HG2  THR  38          HG21      THR  38  -9.682  -2.486   0.887
  296   2HG2  THR  38          HG22      THR  38 -10.612  -3.912   1.347
  297   3HG2  THR  38          HG23      THR  38  -9.114  -4.095   0.435
  298    H    LEU  39           HN       LEU  39  -5.803  -3.057   1.830
  299    HA   LEU  39           HA       LEU  39  -4.660  -3.076   4.581
  300   1HB   LEU  39          HB2       LEU  39  -3.370  -4.795   3.521
  301   2HB   LEU  39          HB1       LEU  39  -3.234  -3.871   2.027
  302    HG   LEU  39           HG       LEU  39  -2.086  -2.098   3.664
  303   1HD1  LEU  39          HD11      LEU  39  -2.161  -3.105   5.746
  304   2HD1  LEU  39          HD12      LEU  39  -0.589  -3.660   5.175
  305   3HD1  LEU  39          HD13      LEU  39  -1.989  -4.728   5.083
  306   1HD2  LEU  39          HD21      LEU  39  -1.027  -3.087   1.690
  307   2HD2  LEU  39          HD22      LEU  39  -0.764  -4.595   2.562
  308   3HD2  LEU  39          HD23      LEU  39   0.097  -3.134   3.048
  309    H    LEU  40           HN       LEU  40  -4.577  -0.892   5.045
  310    HA   LEU  40           HA       LEU  40  -4.357   1.062   2.856
  311   1HB   LEU  40          HB2       LEU  40  -5.936   1.613   4.595
  312   2HB   LEU  40          HB1       LEU  40  -4.731   1.339   5.853
  313    HG   LEU  40           HG       LEU  40  -3.379   3.202   4.607
  314   1HD1  LEU  40          HD11      LEU  40  -5.700   3.065   3.001
  315   2HD1  LEU  40          HD12      LEU  40  -4.404   4.257   2.903
  316   3HD1  LEU  40          HD13      LEU  40  -5.820   4.573   3.906
  317   1HD2  LEU  40          HD21      LEU  40  -5.456   4.739   5.779
  318   2HD2  LEU  40          HD22      LEU  40  -3.945   4.226   6.532
  319   3HD2  LEU  40          HD23      LEU  40  -5.388   3.220   6.672
  320    H    ILE  41           HN       ILE  41  -2.542   2.412   2.581
  321    HA   ILE  41           HA       ILE  41  -0.208   1.827   4.346
  322    HB   ILE  41           HB       ILE  41   0.037   2.123   1.352
  323   1HG1  ILE  41          HG12      ILE  41  -0.671  -0.300   3.007
  324   2HG1  ILE  41          HG11      ILE  41  -1.333   0.224   1.467
  325   1HG2  ILE  41          HG21      ILE  41   1.922   0.417   2.780
  326   2HG2  ILE  41          HG22      ILE  41   1.870   2.040   3.465
  327   3HG2  ILE  41          HG23      ILE  41   2.237   1.815   1.755
  328   1HD1  ILE  41          HD11      ILE  41   0.725  -0.362   0.308
  329   2HD1  ILE  41          HD12      ILE  41   0.173  -1.756   1.236
  330   3HD1  ILE  41          HD13      ILE  41   1.503  -0.768   1.838
  331    H    ILE  42           HN       ILE  42   1.340   3.544   4.482
  332    HA   ILE  42           HA       ILE  42   0.499   6.103   3.232
  333    HB   ILE  42           HB       ILE  42   1.799   5.870   5.951
  334   1HG1  ILE  42          HG12      ILE  42  -1.067   5.652   5.126
  335   2HG1  ILE  42          HG11      ILE  42  -0.231   4.892   6.481
  336   1HG2  ILE  42          HG21      ILE  42   1.912   8.000   4.545
  337   2HG2  ILE  42          HG22      ILE  42   1.208   8.188   6.147
  338   3HG2  ILE  42          HG23      ILE  42   0.164   8.110   4.728
  339   1HD1  ILE  42          HD11      ILE  42  -1.463   6.477   7.615
  340   2HD1  ILE  42          HD12      ILE  42  -1.418   7.620   6.272
  341   3HD1  ILE  42          HD13      ILE  42   0.003   7.403   7.291
  342    H    ALA  43           HN       ALA  43   2.398   7.505   2.889
  343    HA   ALA  43           HA       ALA  43   5.033   6.329   3.258
  344   1HB   ALA  43          HB1       ALA  43   4.494   6.783   0.382
  345   2HB   ALA  43          HB2       ALA  43   3.728   5.357   1.082
  346   3HB   ALA  43          HB3       ALA  43   5.480   5.545   1.162
  347    H    ASP  44           HN       ASP  44   6.438   7.972   3.413
  348    HA   ASP  44           HA       ASP  44   5.581  10.585   2.280
  349   1HB   ASP  44          HB2       ASP  44   6.638  11.691   3.994
  350   2HB   ASP  44          HB1       ASP  44   6.230  10.224   4.855
  351    H    ASP  45           HN       ASP  45   7.887   8.017   2.359
  352    HA   ASP  45           HA       ASP  45  10.012   9.268   0.918
  353   1HB   ASP  45          HB2       ASP  45  10.481   7.179   1.812
  354   2HB   ASP  45          HB1       ASP  45   8.977   6.504   1.222
  355    HA   PRO  46           HA       PRO  46   7.963   9.910  -2.942
  356   1HB   PRO  46          HB2       PRO  46  10.208  10.361  -4.465
  357   2HB   PRO  46          HB1       PRO  46   9.528  11.555  -3.345
  358   1HG   PRO  46          HG2       PRO  46  11.973   9.877  -3.045
  359   2HG   PRO  46          HG1       PRO  46  11.590  11.442  -2.310
  360   1HD   PRO  46          HD2       PRO  46  11.429   8.918  -1.032
  361   2HD   PRO  46          HD1       PRO  46  10.762  10.440  -0.421
  362    H    ALA  47           HN       ALA  47  10.337   7.467  -2.434
  363    HA   ALA  47           HA       ALA  47   9.899   6.199  -5.065
  364   1HB   ALA  47          HB1       ALA  47  11.926   6.093  -3.039
  365   2HB   ALA  47          HB2       ALA  47  11.953   5.380  -4.653
  366   3HB   ALA  47          HB3       ALA  47  11.303   4.463  -3.295
  367    H    THR  48           HN       THR  48   8.197   6.275  -2.206
  368    HA   THR  48           HA       THR  48   7.446   3.421  -2.218
  369    HB   THR  48           HB       THR  48   5.740   4.351  -0.460
  370    HG1  THR  48           HG1      THR  48   7.565   6.377  -0.051
  371   1HG2  THR  48          HG21      THR  48   8.324   4.836   0.740
  372   2HG2  THR  48          HG22      THR  48   8.396   3.448  -0.343
  373   3HG2  THR  48          HG23      THR  48   7.226   3.478   0.976
  374    H    THR  49           HN       THR  49   6.010   6.565  -3.046
  375    HA   THR  49           HA       THR  49   3.390   5.659  -3.665
  376    HB   THR  49           HB       THR  49   3.059   7.709  -4.685
  377    HG1  THR  49           HG1      THR  49   4.576   8.623  -6.069
  378   1HG2  THR  49          HG21      THR  49   4.688   7.839  -2.535
  379   2HG2  THR  49          HG22      THR  49   4.102   9.268  -3.386
  380   3HG2  THR  49          HG23      THR  49   5.710   8.632  -3.733
  381    H    ARG  50           HN       ARG  50   6.414   5.459  -5.413
  382    HA   ARG  50           HA       ARG  50   5.013   4.351  -7.788
  383   1HB   ARG  50          HB2       ARG  50   7.853   5.198  -7.247
  384   2HB   ARG  50          HB1       ARG  50   7.404   4.327  -8.713
  385   1HG   ARG  50          HG2       ARG  50   5.476   6.330  -8.516
  386   2HG   ARG  50          HG1       ARG  50   6.969   7.131  -8.026
  387   1HD   ARG  50          HD2       ARG  50   6.540   5.554 -10.581
  388   2HD   ARG  50          HD1       ARG  50   6.711   7.305 -10.452
  389    HE   ARG  50           HE       ARG  50   9.036   6.432  -9.316
  390   1HH1  ARG  50          HH21      ARG  50   8.292   3.958 -11.085
  391   2HH1  ARG  50          HH22      ARG  50   9.298   4.272 -12.460
  392   1HH2  ARG  50          HH11      ARG  50   9.939   7.563 -11.575
  393   2HH2  ARG  50          HH12      ARG  50  10.231   6.313 -12.737
  394    H    ASP  51           HN       ASP  51   7.357   3.298  -5.341
  395    HA   ASP  51           HA       ASP  51   7.600   0.672  -6.626
  396   1HB   ASP  51          HB2       ASP  51   8.748   1.821  -4.072
  397   2HB   ASP  51          HB1       ASP  51   9.094   0.190  -4.655
  398    H    ILE  52           HN       ILE  52   6.242   1.843  -3.526
  399    HA   ILE  52           HA       ILE  52   5.567  -0.679  -2.492
  400    HB   ILE  52           HB       ILE  52   4.533   2.078  -2.095
  401   1HG1  ILE  52          HG12      ILE  52   5.646  -0.154  -0.398
  402   2HG1  ILE  52          HG11      ILE  52   6.384   1.405  -0.767
  403   1HG2  ILE  52          HG21      ILE  52   2.790   1.236  -0.510
  404   2HG2  ILE  52          HG22      ILE  52   3.074  -0.397  -1.113
  405   3HG2  ILE  52          HG23      ILE  52   2.423   0.839  -2.189
  406   1HD1  ILE  52          HD11      ILE  52   4.591   0.721   1.387
  407   2HD1  ILE  52          HD12      ILE  52   3.874   1.985   0.389
  408   3HD1  ILE  52          HD13      ILE  52   5.463   2.229   1.110
  409    HA   PRO  53           HA       PRO  53   1.428  -0.550  -4.766
  410   1HB   PRO  53          HB2       PRO  53   1.220   1.235  -6.840
  411   2HB   PRO  53          HB1       PRO  53   0.651   1.539  -5.189
  412   1HG   PRO  53          HG2       PRO  53   3.058   2.610  -6.587
  413   2HG   PRO  53          HG1       PRO  53   2.133   3.321  -5.254
  414   1HD   PRO  53          HD2       PRO  53   4.605   1.997  -5.009
  415   2HD   PRO  53          HD1       PRO  53   3.496   2.367  -3.671
  416    H    GLY  54           HN       GLY  54   4.007   0.567  -6.986
  417   1HA   GLY  54          HA2       GLY  54   3.421  -1.140  -9.132
  418   2HA   GLY  54          HA1       GLY  54   5.074  -0.664  -8.701
  419    H    PHE  55           HN       PHE  55   4.647  -1.873  -5.949
  420    HA   PHE  55           HA       PHE  55   5.531  -4.565  -6.679
  421   1HB   PHE  55          HB2       PHE  55   6.638  -3.931  -4.756
  422   2HB   PHE  55          HB1       PHE  55   5.286  -2.966  -4.168
  423    HD1  PHE  55           HD1      PHE  55   5.322  -6.547  -5.268
  424    HD2  PHE  55           HD2      PHE  55   4.856  -3.797  -2.010
  425    HE1  PHE  55           HE1      PHE  55   4.570  -8.398  -3.815
  426    HE2  PHE  55           HE2      PHE  55   4.109  -5.656  -0.566
  427    HZ   PHE  55           HZ       PHE  55   3.955  -7.956  -1.466
  428    H    CYS  56           HN       CYS  56   2.718  -3.255  -4.834
  429    HA   CYS  56           HA       CYS  56   1.405  -5.715  -4.464
  430   1HB   CYS  56          HB2       CYS  56   0.397  -2.907  -4.859
  431   2HB   CYS  56          HB1       CYS  56  -0.720  -4.249  -4.603
  432    HG   CYS  56           HG       CYS  56   1.416  -3.323  -2.518
  433    H    THR  57           HN       THR  57   1.446  -3.627  -7.319
  434    HA   THR  57           HA       THR  57  -0.577  -5.071  -8.762
  435    HB   THR  57           HB       THR  57   1.776  -3.574  -9.939
  436    HG1  THR  57           HG1      THR  57   0.718  -1.765  -9.524
  437   1HG2  THR  57          HG21      THR  57   0.269  -5.006 -11.410
  438   2HG2  THR  57          HG22      THR  57   0.376  -3.302 -11.855
  439   3HG2  THR  57          HG23      THR  57  -1.040  -3.901 -10.989
  440    H    PHE  58           HN       PHE  58   2.889  -5.533  -8.383
  441    HA   PHE  58           HA       PHE  58   3.158  -7.482 -10.496
  442   1HB   PHE  58          HB2       PHE  58   4.962  -6.055  -9.194
  443   2HB   PHE  58          HB1       PHE  58   4.995  -7.465  -8.135
  444    HD1  PHE  58           HD1      PHE  58   6.360  -6.052 -11.058
  445    HD2  PHE  58           HD2      PHE  58   5.061  -9.804  -9.420
  446    HE1  PHE  58           HE1      PHE  58   7.766  -7.259 -12.707
  447    HE2  PHE  58           HE2      PHE  58   6.466 -11.011 -11.068
  448    HZ   PHE  58           HZ       PHE  58   7.818  -9.738 -12.711
  449    H    MET  59           HN       MET  59   2.334  -7.752  -7.054
  450    HA   MET  59           HA       MET  59   2.601 -10.678  -7.206
  451   1HB   MET  59          HB2       MET  59   2.219  -8.725  -5.048
  452   2HB   MET  59          HB1       MET  59   1.569 -10.335  -4.775
  453   1HG   MET  59          HG2       MET  59   3.888 -11.147  -5.651
  454   2HG   MET  59          HG1       MET  59   4.420  -9.509  -5.274
  455   1HE   MET  59          HE1       MET  59   3.152 -12.905  -2.566
  456   2HE   MET  59          HE2       MET  59   4.462 -12.993  -3.741
  457   3HE   MET  59          HE3       MET  59   2.821 -12.658  -4.286
  458    H    GLU  60           HN       GLU  60   0.299  -8.744  -8.364
  459    HA   GLU  60           HA       GLU  60  -1.839  -9.383  -9.165
  460   1HB   GLU  60          HB2       GLU  60  -0.864 -11.802  -8.284
  461   2HB   GLU  60          HB1       GLU  60  -2.313 -11.597  -7.298
  462   1HG   GLU  60          HG2       GLU  60  -3.664 -11.981  -9.062
  463   2HG   GLU  60          HG1       GLU  60  -2.792 -10.816 -10.060
  464    H    HIS  61           HN       HIS  61  -1.196  -7.733  -6.737
  465    HA   HIS  61           HA       HIS  61  -3.645  -8.080  -5.118
  466   1HB   HIS  61          HB2       HIS  61  -1.393  -6.077  -4.780
  467   2HB   HIS  61          HB1       HIS  61  -2.620  -6.513  -3.597
  468    HD1  HIS  61           HD1      HIS  61  -2.117  -9.633  -4.858
  469    HD2  HIS  61           HD2      HIS  61   0.413  -7.168  -2.647
  470    HE1  HIS  61           HE1      HIS  61  -0.386 -11.144  -3.811
  471    H    GLU  62           HN       GLU  62  -4.718  -5.783  -4.598
  472    HA   GLU  62           HA       GLU  62  -4.824  -4.295  -7.190
  473   1HB   GLU  62          HB2       GLU  62  -6.971  -5.339  -5.429
  474   2HB   GLU  62          HB1       GLU  62  -7.253  -3.789  -6.204
  475   1HG   GLU  62          HG2       GLU  62  -6.246  -6.146  -7.795
  476   2HG   GLU  62          HG1       GLU  62  -7.969  -5.951  -7.473
  477    H    LEU  63           HN       LEU  63  -4.842  -2.123  -7.083
  478    HA   LEU  63           HA       LEU  63  -4.214  -0.847  -4.491
  479   1HB   LEU  63          HB2       LEU  63  -2.858   0.087  -6.164
  480   2HB   LEU  63          HB1       LEU  63  -4.112  -0.048  -7.392
  481    HG   LEU  63           HG       LEU  63  -5.380   1.755  -6.054
  482   1HD1  LEU  63          HD11      LEU  63  -2.987   2.980  -5.049
  483   2HD1  LEU  63          HD12      LEU  63  -3.133   1.368  -4.348
  484   3HD1  LEU  63          HD13      LEU  63  -4.443   2.534  -4.161
  485   1HD2  LEU  63          HD21      LEU  63  -4.572   3.214  -7.590
  486   2HD2  LEU  63          HD22      LEU  63  -3.561   1.872  -8.124
  487   3HD2  LEU  63          HD23      LEU  63  -2.921   3.060  -6.990
  488    H    VAL  64           HN       VAL  64  -6.162  -0.723  -3.305
  489    HA   VAL  64           HA       VAL  64  -8.661  -0.396  -4.627
  490    HB   VAL  64           HB       VAL  64  -7.771  -0.240  -1.750
  491   1HG1  VAL  64          HG11      VAL  64 -10.482  -0.067  -3.039
  492   2HG1  VAL  64          HG12      VAL  64  -9.778   1.018  -1.839
  493   3HG1  VAL  64          HG13      VAL  64 -10.270  -0.613  -1.378
  494   1HG2  VAL  64          HG21      VAL  64  -8.055  -2.365  -3.509
  495   2HG2  VAL  64          HG22      VAL  64  -9.590  -2.349  -2.641
  496   3HG2  VAL  64          HG23      VAL  64  -8.075  -2.477  -1.749
  497    H    ALA  65           HN       ALA  65  -6.706   1.964  -2.652
  498    HA   ALA  65           HA       ALA  65  -7.999   4.068  -4.325
  499   1HB   ALA  65          HB1       ALA  65  -8.104   5.193  -1.777
  500   2HB   ALA  65          HB2       ALA  65  -8.682   3.543  -1.543
  501   3HB   ALA  65          HB3       ALA  65  -9.477   4.598  -2.711
  502    H    LYS  66           HN       LYS  66  -6.446   5.608  -4.882
  503    HA   LYS  66           HA       LYS  66  -3.945   5.560  -3.323
  504   1HB   LYS  66          HB2       LYS  66  -4.284   7.140  -5.811
  505   2HB   LYS  66          HB1       LYS  66  -2.862   6.283  -5.216
  506   1HG   LYS  66          HG2       LYS  66  -3.507   4.814  -6.792
  507   2HG   LYS  66          HG1       LYS  66  -4.526   4.215  -5.515
  508   1HD   LYS  66          HD2       LYS  66  -6.234   4.521  -6.975
  509   2HD   LYS  66          HD1       LYS  66  -6.053   6.235  -6.596
  510   1HE   LYS  66          HE2       LYS  66  -4.152   6.075  -8.457
  511   2HE   LYS  66          HE1       LYS  66  -5.140   4.719  -9.004
  512   1HZ   LYS  66          HZ1       LYS  66  -5.906   7.560  -8.731
  513   2HZ   LYS  66          HZ2       LYS  66  -7.077   6.330  -8.798
  514   3HZ   LYS  66          HZ3       LYS  66  -6.010   6.564 -10.100
  515    H    GLU  67           HN       GLU  67  -2.925   7.494  -2.787
  516    HA   GLU  67           HA       GLU  67  -4.599   9.927  -2.709
  517   1HB   GLU  67          HB2       GLU  67  -3.685   8.329  -0.439
  518   2HB   GLU  67          HB1       GLU  67  -3.490  10.051  -0.265
  519   1HG   GLU  67          HG2       GLU  67  -5.665   9.952   0.445
  520   2HG   GLU  67          HG1       GLU  67  -5.999   9.956  -1.283
  521    H    THR  68           HN       THR  68  -3.381  11.375  -3.775
  522    HA   THR  68           HA       THR  68  -0.512  11.674  -2.989
  523    HB   THR  68           HB       THR  68   0.217  11.776  -5.225
  524    HG1  THR  68           HG1      THR  68  -2.332  11.675  -6.334
  525   1HG2  THR  68          HG21      THR  68  -2.051   9.788  -5.432
  526   2HG2  THR  68          HG22      THR  68  -0.599   9.481  -4.480
  527   3HG2  THR  68          HG23      THR  68  -0.478   9.716  -6.224
  528    H    ASP  69           HN       ASP  69  -2.934  13.085  -2.177
  529    HA   ASP  69           HA       ASP  69  -3.019  15.601  -3.652
  530   1HB   ASP  69          HB2       ASP  69  -4.116  14.895  -0.924
  531   2HB   ASP  69          HB1       ASP  69  -4.531  16.339  -1.849
  532    H    GLY  70           HN       GLY  70  -0.683  14.402  -1.819
  533   1HA   GLY  70          HA2       GLY  70   1.136  16.194  -1.539
  534   2HA   GLY  70          HA1       GLY  70  -0.017  16.902  -0.440
  535    H    LEU  71           HN       LEU  71   2.601  15.237  -0.449
  536    HA   LEU  71           HA       LEU  71   2.555  12.925   0.946
  537   1HB   LEU  71          HB2       LEU  71   4.295  15.321   1.524
  538   2HB   LEU  71          HB1       LEU  71   4.551  13.752   2.256
  539    HG   LEU  71           HG       LEU  71   4.238  13.816  -0.673
  540   1HD1  LEU  71          HD11      LEU  71   6.879  14.139  -0.597
  541   2HD1  LEU  71          HD12      LEU  71   6.484  15.072   0.846
  542   3HD1  LEU  71          HD13      LEU  71   5.800  15.529  -0.714
  543   1HD2  LEU  71          HD21      LEU  71   5.816  12.274   1.379
  544   2HD2  LEU  71          HD22      LEU  71   6.142  12.112  -0.346
  545   3HD2  LEU  71          HD23      LEU  71   4.559  11.675   0.297
  546    HA   PRO  72           HA       PRO  72   3.423  11.904   2.401
  547   1HB   PRO  72          HB2       PRO  72   2.414   9.936   3.992
  548   2HB   PRO  72          HB1       PRO  72   3.663  11.068   4.552
  549   1HG   PRO  72          HG2       PRO  72   0.756  11.008   5.179
  550   2HG   PRO  72          HG1       PRO  72   2.095  11.591   6.186
  551   1HD   PRO  72          HD2       PRO  72   0.318  13.219   4.707
  552   2HD   PRO  72          HD1       PRO  72   1.886  13.741   5.365
  553    H    TYR  73           HN       TYR  73   2.831  10.289   0.939
  554    HA   TYR  73           HA       TYR  73   0.226  10.371  -0.245
  555   1HB   TYR  73          HB2       TYR  73   2.095   8.103  -0.631
  556   2HB   TYR  73          HB1       TYR  73   1.018   8.844  -1.806
  557    HD1  TYR  73           HD1      TYR  73   4.250   8.729  -0.404
  558    HD2  TYR  73           HD2      TYR  73   1.567  11.246  -2.570
  559    HE1  TYR  73           HE1      TYR  73   6.181  10.039  -1.219
  560    HE2  TYR  73           HE2      TYR  73   3.466  12.614  -3.366
  561    HH   TYR  73           HH       TYR  73   5.970  12.226  -3.753
  562    H    ARG  74           HN       ARG  74  -1.134   8.358  -0.542
  563    HA   ARG  74           HA       ARG  74  -0.733   6.273   1.442
  564   1HB   ARG  74          HB2       ARG  74  -2.981   8.239   1.540
  565   2HB   ARG  74          HB1       ARG  74  -3.285   6.549   1.955
  566   1HG   ARG  74          HG2       ARG  74  -1.971   6.596   3.794
  567   2HG   ARG  74          HG1       ARG  74  -0.886   7.792   3.133
  568   1HD   ARG  74          HD2       ARG  74  -3.533   8.912   3.454
  569   2HD   ARG  74          HD1       ARG  74  -2.962   8.240   4.981
  570    HE   ARG  74           HE       ARG  74  -0.953   9.879   3.649
  571   1HH1  ARG  74          HH21      ARG  74  -1.566   9.552   6.649
  572   2HH1  ARG  74          HH22      ARG  74  -2.126  11.145   7.035
  573   1HH2  ARG  74          HH11      ARG  74  -2.609  12.065   3.726
  574   2HH2  ARG  74          HH12      ARG  74  -2.716  12.568   5.380
  575    H    TYR  75           HN       TYR  75  -1.904   4.402   0.864
  576    HA   TYR  75           HA       TYR  75  -3.452   4.496  -1.613
  577   1HB   TYR  75          HB2       TYR  75  -1.260   2.521  -1.628
  578   2HB   TYR  75          HB1       TYR  75  -2.034   3.351  -2.978
  579    HD1  TYR  75           HD1      TYR  75  -1.518   5.911  -3.217
  580    HD2  TYR  75           HD2      TYR  75   0.714   3.212  -0.817
  581    HE1  TYR  75           HE1      TYR  75   0.425   7.449  -3.342
  582    HE2  TYR  75           HE2      TYR  75   2.688   4.733  -0.903
  583    HH   TYR  75           HH       TYR  75   3.438   6.718  -1.582
  584    H    LEU  76           HN       LEU  76  -5.106   2.988  -1.323
  585    HA   LEU  76           HA       LEU  76  -4.714   1.090   0.803
  586   1HB   LEU  76          HB2       LEU  76  -6.913   2.148   0.638
  587   2HB   LEU  76          HB1       LEU  76  -7.114   1.503  -0.975
  588    HG   LEU  76           HG       LEU  76  -6.684  -0.788   0.065
  589   1HD1  LEU  76          HD11      LEU  76  -7.247   0.838   2.553
  590   2HD1  LEU  76          HD12      LEU  76  -5.760  -0.038   2.187
  591   3HD1  LEU  76          HD13      LEU  76  -7.257  -0.925   2.481
  592   1HD2  LEU  76          HD21      LEU  76  -8.864  -0.927  -0.249
  593   2HD2  LEU  76          HD22      LEU  76  -8.973   0.834  -0.186
  594   3HD2  LEU  76          HD23      LEU  76  -9.152  -0.115   1.290
  595    H    ILE  77           HN       ILE  77  -4.887  -1.285   0.258
  596    HA   ILE  77           HA       ILE  77  -4.864  -1.852  -2.623
  597    HB   ILE  77           HB       ILE  77  -2.727  -2.859  -0.742
  598   1HG1  ILE  77          HG12      ILE  77  -2.861  -0.479  -2.579
  599   2HG1  ILE  77          HG11      ILE  77  -2.278  -0.557  -0.921
  600   1HG2  ILE  77          HG21      ILE  77  -2.397  -2.800  -3.700
  601   2HG2  ILE  77          HG22      ILE  77  -3.554  -3.971  -3.068
  602   3HG2  ILE  77          HG23      ILE  77  -1.876  -4.018  -2.537
  603   1HD1  ILE  77          HD11      ILE  77  -0.906  -1.930  -3.247
  604   2HD1  ILE  77          HD12      ILE  77  -0.296  -1.755  -1.600
  605   3HD1  ILE  77          HD13      ILE  77  -0.451  -0.339  -2.638
  606    H    ARG  78           HN       ARG  78  -6.617  -3.224  -2.694
  607    HA   ARG  78           HA       ARG  78  -7.241  -4.999  -0.473
  608   1HB   ARG  78          HB2       ARG  78  -9.080  -4.301  -1.832
  609   2HB   ARG  78          HB1       ARG  78  -8.265  -4.800  -3.313
  610   1HG   ARG  78          HG2       ARG  78  -9.045  -6.904  -3.113
  611   2HG   ARG  78          HG1       ARG  78  -8.463  -7.017  -1.451
  612   1HD   ARG  78          HD2       ARG  78 -10.961  -7.259  -1.675
  613   2HD   ARG  78          HD1       ARG  78 -10.462  -5.946  -0.609
  614    HE   ARG  78           HE       ARG  78 -11.042  -4.364  -2.397
  615   1HH1  ARG  78          HH11      ARG  78 -12.943  -7.045  -2.053
  616   2HH1  ARG  78          HH12      ARG  78 -13.647  -6.997  -3.634
  617   1HH2  ARG  78          HH21      ARG  78 -11.483  -4.559  -4.815
  618   2HH2  ARG  78          HH22      ARG  78 -12.821  -5.590  -5.198
  619    H    LYS  79           HN       LYS  79  -6.114  -6.830  -0.031
  620    HA   LYS  79           HA       LYS  79  -4.187  -7.999  -1.816
  621   1HB   LYS  79          HB2       LYS  79  -3.929  -8.417   0.531
  622   2HB   LYS  79          HB1       LYS  79  -5.576  -9.033   0.671
  623   1HG   LYS  79          HG2       LYS  79  -3.835 -10.842   0.612
  624   2HG   LYS  79          HG1       LYS  79  -5.027 -10.969  -0.683
  625   1HD   LYS  79          HD2       LYS  79  -2.835  -9.267  -1.503
  626   2HD   LYS  79          HD1       LYS  79  -2.227 -10.835  -0.970
  627   1HE   LYS  79          HE2       LYS  79  -4.621 -11.168  -2.564
  628   2HE   LYS  79          HE1       LYS  79  -3.411 -10.241  -3.452
  629   1HZ   LYS  79          HZ1       LYS  79  -3.165 -12.945  -2.289
  630   2HZ   LYS  79          HZ2       LYS  79  -1.795 -12.021  -2.682
  631   3HZ   LYS  79          HZ3       LYS  79  -2.904 -12.458  -3.892
  632    H    GLY  80           HN       GLY  80  -4.950  -8.753  -3.759
  633   1HA   GLY  80          HA2       GLY  80  -6.316 -11.154  -4.059
  634   2HA   GLY  80          HA1       GLY  80  -7.584  -9.928  -4.056
  635    H    GLY  81           HN       GLY  81  -7.214 -11.399  -6.341
  636   1HA   GLY  81          HA2       GLY  81  -7.071  -9.540  -8.397
  637   2HA   GLY  81          HA1       GLY  81  -5.408 -10.100  -8.207
  Start of MODEL   14
    1   1H    MET   1          HT1       MET   1 -16.572  11.388  -5.498
    2   2H    MET   1          HT2       MET   1 -16.769  12.405  -4.153
    3   3H    MET   1          HT3       MET   1 -17.376  10.819  -4.117
    4    HA   MET   1           HA       MET   1 -14.808  10.327  -4.637
    5   1HB   MET   1          HB2       MET   1 -14.949  12.790  -2.870
    6   2HB   MET   1          HB1       MET   1 -13.511  11.795  -3.096
    7   1HG   MET   1          HG2       MET   1 -13.015  12.927  -4.974
    8   2HG   MET   1          HG1       MET   1 -14.556  12.437  -5.679
    9   1HE   MET   1          HE1       MET   1 -12.387  14.607  -4.032
   10   2HE   MET   1          HE2       MET   1 -13.359  15.623  -2.970
   11   3HE   MET   1          HE3       MET   1 -12.909  16.210  -4.568
   12    H    THR   2           HN       THR   2 -16.642   8.781  -3.640
   13    HA   THR   2           HA       THR   2 -17.216   8.745  -0.888
   14    HB   THR   2           HB       THR   2 -18.198   7.158  -2.517
   15    HG1  THR   2           HG1      THR   2 -18.205   6.607  -0.318
   16   1HG2  THR   2          HG21      THR   2 -15.352   6.181  -2.594
   17   2HG2  THR   2          HG22      THR   2 -16.430   6.548  -3.940
   18   3HG2  THR   2          HG23      THR   2 -16.686   5.094  -2.977
   19    H    ASP   3           HN       ASP   3 -16.201   7.413   0.833
   20    HA   ASP   3           HA       ASP   3 -13.259   7.679   0.717
   21   1HB   ASP   3          HB2       ASP   3 -15.269   7.812   2.777
   22   2HB   ASP   3          HB1       ASP   3 -14.068   6.593   3.206
   23    H    LEU   4           HN       LEU   4 -12.286   5.944  -0.252
   24    HA   LEU   4           HA       LEU   4 -13.378   3.226   0.203
   25   1HB   LEU   4          HB2       LEU   4 -11.054   4.132  -1.527
   26   2HB   LEU   4          HB1       LEU   4 -11.787   2.527  -1.527
   27    HG   LEU   4           HG       LEU   4 -13.368   5.039  -2.109
   28   1HD1  LEU   4          HD11      LEU   4 -12.083   3.127  -4.085
   29   2HD1  LEU   4          HD12      LEU   4 -11.535   4.773  -3.766
   30   3HD1  LEU   4          HD13      LEU   4 -13.120   4.497  -4.489
   31   1HD2  LEU   4          HD21      LEU   4 -14.563   2.944  -1.396
   32   2HD2  LEU   4          HD22      LEU   4 -13.865   2.124  -2.793
   33   3HD2  LEU   4          HD23      LEU   4 -14.983   3.469  -3.027
   34    H    PHE   5           HN       PHE   5 -11.110   5.304   1.580
   35    HA   PHE   5           HA       PHE   5  -9.215   3.216   2.401
   36   1HB   PHE   5          HB2       PHE   5  -9.424   6.179   2.706
   37   2HB   PHE   5          HB1       PHE   5  -8.482   5.297   3.907
   38    HD1  PHE   5           HD1      PHE   5  -6.511   6.624   2.953
   39    HD2  PHE   5           HD2      PHE   5  -8.671   3.698   0.679
   40    HE1  PHE   5           HE1      PHE   5  -4.642   6.440   1.345
   41    HE2  PHE   5           HE2      PHE   5  -6.757   3.536  -0.894
   42    HZ   PHE   5           HZ       PHE   5  -4.753   4.956  -0.582
   43    H    SER   6           HN       SER   6 -12.220   3.454   3.237
   44    HA   SER   6           HA       SER   6 -12.571   4.017   5.925
   45   1HB   SER   6          HB2       SER   6 -14.471   3.238   4.757
   46   2HB   SER   6          HB1       SER   6 -13.653   1.777   4.217
   47    HG   SER   6           HG       SER   6 -15.085   1.383   5.965
   48    H    SER   7           HN       SER   7 -12.818   2.203   7.703
   49    HA   SER   7           HA       SER   7 -10.308   1.374   8.561
   50   1HB   SER   7          HB2       SER   7 -11.507  -0.343   9.934
   51   2HB   SER   7          HB1       SER   7 -12.242   1.255  10.026
   52    HG   SER   7           HG       SER   7 -13.489  -0.884   9.453
   53    HA   PRO   8           HA       PRO   8  -9.663  -1.685   5.294
   54   1HB   PRO   8          HB2       PRO   8  -6.929  -1.663   5.553
   55   2HB   PRO   8          HB1       PRO   8  -7.832  -0.479   4.594
   56   1HG   PRO   8          HG2       PRO   8  -6.547  -0.141   7.267
   57   2HG   PRO   8          HG1       PRO   8  -6.862   1.066   6.011
   58   1HD   PRO   8          HD2       PRO   8  -8.385   0.702   8.355
   59   2HD   PRO   8          HD1       PRO   8  -8.880   1.635   6.929
   60    H    ASP   9           HN       ASP   9  -8.334  -3.808   5.369
   61    HA   ASP   9           HA       ASP   9  -8.871  -5.125   7.930
   62   1HB   ASP   9          HB2       ASP   9  -7.731  -6.077   5.291
   63   2HB   ASP   9          HB1       ASP   9  -7.880  -7.131   6.698
   64    H    HIS  10           HN       HIS  10  -6.165  -3.707   6.278
   65    HA   HIS  10           HA       HIS  10  -4.448  -4.323   8.620
   66   1HB   HIS  10          HB2       HIS  10  -3.923  -5.082   5.754
   67   2HB   HIS  10          HB1       HIS  10  -2.583  -4.736   6.840
   68    HD1  HIS  10           HD1      HIS  10  -1.761  -6.727   8.096
   69    HD2  HIS  10           HD2      HIS  10  -5.784  -7.109   7.073
   70    HE1  HIS  10           HE1      HIS  10  -2.495  -9.007   8.920
   71    H    THR  11           HN       THR  11  -2.276  -2.979   8.283
   72    HA   THR  11           HA       THR  11  -2.778  -0.505   6.725
   73    HB   THR  11           HB       THR  11  -2.050  -0.501   9.652
   74    HG1  THR  11           HG1      THR  11  -4.473   0.076   8.306
   75   1HG2  THR  11          HG21      THR  11  -2.444   1.627   7.563
   76   2HG2  THR  11          HG22      THR  11  -1.121   1.442   8.716
   77   3HG2  THR  11          HG23      THR  11  -2.702   1.992   9.269
   78    H    LEU  12           HN       LEU  12  -0.784   0.811   6.545
   79    HA   LEU  12           HA       LEU  12   1.738  -0.522   7.337
   80   1HB   LEU  12          HB2       LEU  12   1.391  -1.524   5.180
   81   2HB   LEU  12          HB1       LEU  12   0.915   0.021   4.481
   82    HG   LEU  12           HG       LEU  12   3.177   0.877   4.537
   83   1HD1  LEU  12          HD11      LEU  12   4.195   0.434   6.535
   84   2HD1  LEU  12          HD12      LEU  12   4.827  -0.976   5.700
   85   3HD1  LEU  12          HD13      LEU  12   3.399  -1.125   6.721
   86   1HD2  LEU  12          HD21      LEU  12   2.651  -1.774   3.466
   87   2HD2  LEU  12          HD22      LEU  12   4.343  -1.621   3.936
   88   3HD2  LEU  12          HD23      LEU  12   3.638  -0.476   2.794
   89    H    ASP  13           HN       ASP  13   3.158   1.027   7.977
   90    HA   ASP  13           HA       ASP  13   2.601   3.841   7.171
   91   1HB   ASP  13          HB2       ASP  13   2.883   3.430   9.601
   92   2HB   ASP  13          HB1       ASP  13   4.466   2.715   9.298
   93    H    ALA  14           HN       ALA  14   4.151   4.926   5.834
   94    HA   ALA  14           HA       ALA  14   6.686   3.467   5.381
   95   1HB   ALA  14          HB1       ALA  14   6.315   2.865   3.241
   96   2HB   ALA  14          HB2       ALA  14   5.423   4.342   2.874
   97   3HB   ALA  14          HB3       ALA  14   4.615   3.001   3.688
   98    H    LEU  15           HN       LEU  15   5.573   5.904   6.538
   99    HA   LEU  15           HA       LEU  15   6.749   8.126   5.079
  100   1HB   LEU  15          HB2       LEU  15   5.952   8.286   7.939
  101   2HB   LEU  15          HB1       LEU  15   5.729   9.431   6.627
  102    HG   LEU  15           HG       LEU  15   4.152   6.910   7.127
  103   1HD1  LEU  15          HD11      LEU  15   3.662   9.229   8.247
  104   2HD1  LEU  15          HD12      LEU  15   2.335   8.309   7.537
  105   3HD1  LEU  15          HD13      LEU  15   3.045   9.658   6.651
  106   1HD2  LEU  15          HD21      LEU  15   3.980   6.768   4.878
  107   2HD2  LEU  15          HD22      LEU  15   4.755   8.333   4.650
  108   3HD2  LEU  15          HD23      LEU  15   3.026   8.246   4.963
  109    H    GLY  16           HN       GLY  16   8.871   7.945   5.021
  110   1HA   GLY  16          HA2       GLY  16  11.019   8.366   6.130
  111   2HA   GLY  16          HA1       GLY  16  10.363   7.581   7.575
  112    H    LEU  17           HN       LEU  17   9.210   5.870   5.018
  113    HA   LEU  17           HA       LEU  17  11.284   3.774   5.273
  114   1HB   LEU  17          HB2       LEU  17   8.471   3.743   4.136
  115   2HB   LEU  17          HB1       LEU  17   9.562   2.363   4.121
  116    HG   LEU  17           HG       LEU  17   8.159   3.648   6.427
  117   1HD1  LEU  17          HD11      LEU  17   7.757   1.282   6.960
  118   2HD1  LEU  17          HD12      LEU  17   8.849   0.792   5.663
  119   3HD1  LEU  17          HD13      LEU  17   7.326   1.594   5.279
  120   1HD2  LEU  17          HD21      LEU  17  10.293   3.753   7.354
  121   2HD2  LEU  17          HD22      LEU  17  10.868   2.363   6.431
  122   3HD2  LEU  17          HD23      LEU  17   9.787   2.124   7.804
  123    H    ARG  18           HN       ARG  18  12.151   2.890   3.315
  124    HA   ARG  18           HA       ARG  18  11.381   4.356   0.865
  125   1HB   ARG  18          HB2       ARG  18  13.886   4.623   0.344
  126   2HB   ARG  18          HB1       ARG  18  13.131   5.722   1.497
  127   1HG   ARG  18          HG2       ARG  18  13.955   3.556   3.059
  128   2HG   ARG  18          HG1       ARG  18  15.282   3.804   1.926
  129   1HD   ARG  18          HD2       ARG  18  15.966   5.532   3.193
  130   2HD   ARG  18          HD1       ARG  18  14.487   6.383   2.748
  131    HE   ARG  18           HE       ARG  18  13.542   5.770   4.854
  132   1HH1  ARG  18          HH21      ARG  18  14.700   2.922   4.763
  133   2HH1  ARG  18          HH22      ARG  18  15.739   2.955   6.147
  134   1HH2  ARG  18          HH11      ARG  18  15.698   6.410   6.428
  135   2HH2  ARG  18          HH12      ARG  18  16.304   4.930   7.091
  136    H    CYS  19           HN       CYS  19  11.824   3.209  -1.022
  137    HA   CYS  19           HA       CYS  19  11.598   0.424  -0.941
  138   1HB   CYS  19          HB2       CYS  19  11.245   1.507  -3.020
  139   2HB   CYS  19          HB1       CYS  19  12.861   2.206  -3.027
  140    HG   CYS  19           HG       CYS  19  13.158   0.154  -4.509
  141    HA   PRO  20           HA       PRO  20  12.005  -1.359  -1.634
  142   1HB   PRO  20          HB2       PRO  20  12.817  -3.789  -0.688
  143   2HB   PRO  20          HB1       PRO  20  13.390  -3.119  -2.226
  144   1HG   PRO  20          HG2       PRO  20  14.843  -3.383   0.358
  145   2HG   PRO  20          HG1       PRO  20  15.492  -3.284  -1.284
  146   1HD   PRO  20          HD2       PRO  20  15.369  -1.181   0.640
  147   2HD   PRO  20          HD1       PRO  20  15.853  -1.042  -1.063
  148    H    GLU  21           HN       GLU  21  13.044  -0.472   1.392
  149    HA   GLU  21           HA       GLU  21  11.926  -2.206   3.242
  150   1HB   GLU  21          HB2       GLU  21  12.238   0.744   3.322
  151   2HB   GLU  21          HB1       GLU  21  11.614  -0.140   4.706
  152   1HG   GLU  21          HG2       GLU  21  13.846  -1.610   3.941
  153   2HG   GLU  21          HG1       GLU  21  14.358   0.063   3.710
  154    HA   PRO  22           HA       PRO  22   7.724   0.018   3.188
  155   1HB   PRO  22          HB2       PRO  22   7.145   1.336   0.840
  156   2HB   PRO  22          HB1       PRO  22   7.804   2.122   2.271
  157   1HG   PRO  22          HG2       PRO  22   9.180   1.378  -0.265
  158   2HG   PRO  22          HG1       PRO  22   9.541   2.699   0.860
  159   1HD   PRO  22          HD2       PRO  22  10.956   0.304   0.712
  160   2HD   PRO  22          HD1       PRO  22  10.973   1.387   2.109
  161    H    VAL  23           HN       VAL  23   8.507  -0.509  -0.224
  162    HA   VAL  23           HA       VAL  23   6.345  -2.161  -0.925
  163    HB   VAL  23           HB       VAL  23   9.261  -2.323  -1.728
  164   1HG1  VAL  23          HG11      VAL  23   8.454  -4.414  -2.386
  165   2HG1  VAL  23          HG12      VAL  23   8.118  -3.438  -3.816
  166   3HG1  VAL  23          HG13      VAL  23   6.824  -3.806  -2.676
  167   1HG2  VAL  23          HG21      VAL  23   7.517  -0.301  -2.195
  168   2HG2  VAL  23          HG22      VAL  23   7.139  -1.345  -3.565
  169   3HG2  VAL  23          HG23      VAL  23   8.784  -0.754  -3.335
  170    H    MET  24           HN       MET  24   9.140  -2.789   1.089
  171    HA   MET  24           HA       MET  24   8.922  -5.691   1.023
  172   1HB   MET  24          HB2       MET  24  10.395  -3.695   2.717
  173   2HB   MET  24          HB1       MET  24  10.321  -5.384   3.218
  174   1HG   MET  24          HG2       MET  24  10.986  -4.980   0.370
  175   2HG   MET  24          HG1       MET  24  12.199  -4.378   1.499
  176   1HE   MET  24          HE1       MET  24  12.512  -7.484  -0.541
  177   2HE   MET  24          HE2       MET  24  10.923  -6.725  -0.502
  178   3HE   MET  24          HE3       MET  24  11.120  -8.370   0.099
  179    H    MET  25           HN       MET  25   7.741  -3.145   3.192
  180    HA   MET  25           HA       MET  25   6.716  -4.870   5.212
  181   1HB   MET  25          HB2       MET  25   6.117  -2.066   4.318
  182   2HB   MET  25          HB1       MET  25   5.042  -2.847   5.479
  183   1HG   MET  25          HG2       MET  25   7.687  -3.400   6.333
  184   2HG   MET  25          HG1       MET  25   7.635  -1.682   5.935
  185   1HE   MET  25          HE1       MET  25   6.795  -3.518   9.637
  186   2HE   MET  25          HE2       MET  25   7.496  -4.150   8.150
  187   3HE   MET  25          HE3       MET  25   5.800  -4.456   8.514
  188    H    VAL  26           HN       VAL  26   5.062  -3.352   2.419
  189    HA   VAL  26           HA       VAL  26   2.564  -4.648   2.766
  190    HB   VAL  26           HB       VAL  26   4.008  -3.894   0.213
  191   1HG1  VAL  26          HG11      VAL  26   1.096  -3.980   0.084
  192   2HG1  VAL  26          HG12      VAL  26   1.763  -5.561   0.476
  193   3HG1  VAL  26          HG13      VAL  26   2.276  -4.729  -0.988
  194   1HG2  VAL  26          HG21      VAL  26   1.931  -2.550   1.950
  195   2HG2  VAL  26          HG22      VAL  26   2.263  -2.034   0.298
  196   3HG2  VAL  26          HG23      VAL  26   3.531  -1.948   1.519
  197    H    ARG  27           HN       ARG  27   5.616  -5.869   1.567
  198    HA   ARG  27           HA       ARG  27   4.620  -8.218   0.256
  199   1HB   ARG  27          HB2       ARG  27   7.202  -7.212   1.076
  200   2HB   ARG  27          HB1       ARG  27   7.050  -8.926   1.494
  201   1HG   ARG  27          HG2       ARG  27   6.101  -8.080  -1.200
  202   2HG   ARG  27          HG1       ARG  27   7.840  -8.148  -0.936
  203   1HD   ARG  27          HD2       ARG  27   5.915 -10.411  -0.337
  204   2HD   ARG  27          HD1       ARG  27   6.921 -10.307  -1.781
  205    HE   ARG  27           HE       ARG  27   8.436 -10.115   0.712
  206   1HH1  ARG  27          HH11      ARG  27   6.583 -12.669   0.040
  207   2HH1  ARG  27          HH12      ARG  27   7.841 -13.767  -0.417
  208   1HH2  ARG  27          HH21      ARG  27  10.277 -11.308  -0.620
  209   2HH2  ARG  27          HH22      ARG  27   9.933 -12.997  -0.790
  210    H    LYS  28           HN       LYS  28   6.014  -7.877   3.485
  211    HA   LYS  28           HA       LYS  28   5.390 -10.484   4.424
  212   1HB   LYS  28          HB2       LYS  28   5.820  -7.858   5.863
  213   2HB   LYS  28          HB1       LYS  28   5.515  -9.363   6.731
  214   1HG   LYS  28          HG2       LYS  28   7.546  -9.691   4.662
  215   2HG   LYS  28          HG1       LYS  28   7.999  -8.463   5.844
  216   1HD   LYS  28          HD2       LYS  28   6.827 -10.730   7.193
  217   2HD   LYS  28          HD1       LYS  28   8.146 -11.270   6.154
  218   1HE   LYS  28          HE2       LYS  28   8.731  -8.807   7.663
  219   2HE   LYS  28          HE1       LYS  28   8.483 -10.232   8.672
  220   1HZ   LYS  28          HZ1       LYS  28  10.452  -9.854   6.495
  221   2HZ   LYS  28          HZ2       LYS  28  10.055 -11.392   7.099
  222   3HZ   LYS  28          HZ3       LYS  28  10.747 -10.226   8.123
  223    H    THR  29           HN       THR  29   3.620  -7.443   4.719
  224    HA   THR  29           HA       THR  29   1.363  -8.418   6.165
  225    HB   THR  29           HB       THR  29   2.072  -6.125   4.426
  226    HG1  THR  29           HG1      THR  29   2.245  -6.342   6.799
  227   1HG2  THR  29          HG21      THR  29  -0.802  -6.606   5.226
  228   2HG2  THR  29          HG22      THR  29  -0.174  -6.770   3.586
  229   3HG2  THR  29          HG23      THR  29  -0.165  -5.196   4.381
  230    H    VAL  30           HN       VAL  30   2.282  -8.350   2.812
  231    HA   VAL  30           HA       VAL  30  -0.230  -9.253   1.699
  232    HB   VAL  30           HB       VAL  30   2.639  -9.079   0.784
  233   1HG1  VAL  30          HG11      VAL  30   1.998 -11.153  -0.181
  234   2HG1  VAL  30          HG12      VAL  30   1.830  -9.941  -1.451
  235   3HG1  VAL  30          HG13      VAL  30   0.401 -10.537  -0.606
  236   1HG2  VAL  30          HG21      VAL  30   0.816  -7.187   0.722
  237   2HG2  VAL  30          HG22      VAL  30   0.223  -8.065  -0.690
  238   3HG2  VAL  30          HG23      VAL  30   1.866  -7.424  -0.676
  239    H    ARG  31           HN       ARG  31   2.587 -10.676   3.127
  240    HA   ARG  31           HA       ARG  31   2.048 -13.422   2.349
  241   1HB   ARG  31          HB2       ARG  31   3.760 -12.249   4.562
  242   2HB   ARG  31          HB1       ARG  31   3.752 -13.951   4.101
  243   1HG   ARG  31          HG2       ARG  31   4.332 -13.132   1.722
  244   2HG   ARG  31          HG1       ARG  31   4.701 -11.589   2.478
  245   1HD   ARG  31          HD2       ARG  31   6.627 -13.311   2.177
  246   2HD   ARG  31          HD1       ARG  31   6.485 -12.457   3.713
  247    HE   ARG  31           HE       ARG  31   5.472 -15.244   3.297
  248   1HH1  ARG  31          HH11      ARG  31   4.923 -13.241   5.689
  249   2HH1  ARG  31          HH12      ARG  31   5.946 -13.961   6.887
  250   1HH2  ARG  31          HH21      ARG  31   7.643 -15.957   4.615
  251   2HH2  ARG  31          HH22      ARG  31   7.487 -15.499   6.278
  252    H    ASN  32           HN       ASN  32   1.163 -11.264   4.980
  253    HA   ASN  32           HA       ASN  32  -0.176 -13.551   6.359
  254   1HB   ASN  32          HB2       ASN  32  -0.310 -12.116   8.316
  255   2HB   ASN  32          HB1       ASN  32   1.347 -12.104   7.713
  256   1HD2  ASN  32          HD21      ASN  32   1.705  -9.962   8.690
  257   2HD2  ASN  32          HD22      ASN  32   1.037  -8.566   7.992
  258    H    MET  33           HN       MET  33  -0.938 -11.469   3.999
  259    HA   MET  33           HA       MET  33  -3.585 -10.692   5.076
  260   1HB   MET  33          HB2       MET  33  -1.957  -9.908   2.701
  261   2HB   MET  33          HB1       MET  33  -3.711  -9.805   2.555
  262   1HG   MET  33          HG2       MET  33  -3.439  -8.650   4.956
  263   2HG   MET  33          HG1       MET  33  -1.863  -8.244   4.295
  264   1HE   MET  33          HE1       MET  33  -5.965  -7.204   2.528
  265   2HE   MET  33          HE2       MET  33  -5.591  -8.352   3.811
  266   3HE   MET  33          HE3       MET  33  -5.198  -8.750   2.140
  267    H    GLN  34           HN       GLN  34  -5.358 -10.936   3.225
  268    HA   GLN  34           HA       GLN  34  -5.194 -13.679   2.068
  269   1HB   GLN  34          HB2       GLN  34  -7.264 -12.548   3.936
  270   2HB   GLN  34          HB1       GLN  34  -7.742 -13.743   2.729
  271   1HG   GLN  34          HG2       GLN  34  -6.535 -15.434   3.720
  272   2HG   GLN  34          HG1       GLN  34  -5.298 -14.335   4.329
  273   1HE2  GLN  34          HE21      GLN  34  -8.873 -14.280   4.788
  274   2HE2  GLN  34          HE22      GLN  34  -8.805 -14.326   6.483
  275    HA   PRO  35           HA       PRO  35  -6.779 -11.695  -1.481
  276   1HB   PRO  35          HB2       PRO  35  -8.194 -13.773  -2.612
  277   2HB   PRO  35          HB1       PRO  35  -6.431 -13.618  -2.675
  278   1HG   PRO  35          HG2       PRO  35  -8.106 -15.412  -0.960
  279   2HG   PRO  35          HG1       PRO  35  -6.469 -15.672  -1.588
  280   1HD   PRO  35          HD2       PRO  35  -7.062 -14.904   1.040
  281   2HD   PRO  35          HD1       PRO  35  -5.483 -14.687   0.250
  282    H    GLY  36           HN       GLY  36  -8.383 -10.242  -1.467
  283   1HA   GLY  36          HA2       GLY  36 -10.763  -9.700  -1.686
  284   2HA   GLY  36          HA1       GLY  36 -11.127 -11.109  -0.680
  285    H    GLU  37           HN       GLU  37  -8.391  -9.296   0.297
  286    HA   GLU  37           HA       GLU  37  -9.997  -8.070   2.503
  287   1HB   GLU  37          HB2       GLU  37  -7.339  -9.433   2.412
  288   2HB   GLU  37          HB1       GLU  37  -7.537  -8.100   3.544
  289   1HG   GLU  37          HG2       GLU  37  -9.750  -9.314   4.211
  290   2HG   GLU  37          HG1       GLU  37  -9.011 -10.719   3.443
  291    H    THR  38           HN       THR  38  -8.364  -6.191   3.493
  292    HA   THR  38           HA       THR  38  -7.336  -4.645   1.168
  293    HB   THR  38           HB       THR  38  -8.422  -2.620   2.526
  294    HG1  THR  38           HG1      THR  38  -9.729  -3.348   3.980
  295   1HG2  THR  38          HG21      THR  38  -8.786  -3.427   0.132
  296   2HG2  THR  38          HG22      THR  38 -10.157  -2.616   0.891
  297   3HG2  THR  38          HG23      THR  38 -10.134  -4.375   0.760
  298    H    LEU  39           HN       LEU  39  -5.830  -2.980   1.739
  299    HA   LEU  39           HA       LEU  39  -4.767  -3.007   4.519
  300   1HB   LEU  39          HB2       LEU  39  -3.426  -4.708   3.506
  301   2HB   LEU  39          HB1       LEU  39  -3.264  -3.794   2.010
  302    HG   LEU  39           HG       LEU  39  -2.169  -2.001   3.670
  303   1HD1  LEU  39          HD11      LEU  39  -2.334  -3.068   5.744
  304   2HD1  LEU  39          HD12      LEU  39  -0.693  -3.466   5.236
  305   3HD1  LEU  39          HD13      LEU  39  -1.985  -4.655   5.061
  306   1HD2  LEU  39          HD21      LEU  39  -0.658  -4.460   2.754
  307   2HD2  LEU  39          HD22      LEU  39  -0.013  -2.832   2.967
  308   3HD2  LEU  39          HD23      LEU  39  -1.159  -3.165   1.668
  309    H    LEU  40           HN       LEU  40  -4.704  -0.833   5.005
  310    HA   LEU  40           HA       LEU  40  -4.428   1.145   2.842
  311   1HB   LEU  40          HB2       LEU  40  -6.019   1.764   4.510
  312   2HB   LEU  40          HB1       LEU  40  -4.916   1.351   5.822
  313    HG   LEU  40           HG       LEU  40  -3.386   3.182   5.010
  314   1HD1  LEU  40          HD11      LEU  40  -5.206   4.806   3.628
  315   2HD1  LEU  40          HD12      LEU  40  -5.384   3.212   2.896
  316   3HD1  LEU  40          HD13      LEU  40  -3.801   3.988   2.943
  317   1HD2  LEU  40          HD21      LEU  40  -5.158   5.040   5.669
  318   2HD2  LEU  40          HD22      LEU  40  -4.615   3.863   6.863
  319   3HD2  LEU  40          HD23      LEU  40  -6.163   3.642   6.046
  320    H    ILE  41           HN       ILE  41  -2.621   2.556   2.673
  321    HA   ILE  41           HA       ILE  41  -0.309   1.941   4.450
  322    HB   ILE  41           HB       ILE  41   0.007   2.161   1.461
  323   1HG1  ILE  41          HG12      ILE  41  -0.849  -0.221   3.112
  324   2HG1  ILE  41          HG11      ILE  41  -1.478   0.342   1.571
  325   1HG2  ILE  41          HG21      ILE  41   1.781   0.365   2.887
  326   2HG2  ILE  41          HG22      ILE  41   1.760   1.948   3.661
  327   3HG2  ILE  41          HG23      ILE  41   2.177   1.808   1.954
  328   1HD1  ILE  41          HD11      ILE  41  -0.076  -1.697   1.315
  329   2HD1  ILE  41          HD12      ILE  41   1.297  -0.802   1.963
  330   3HD1  ILE  41          HD13      ILE  41   0.574  -0.320   0.429
  331    H    ILE  42           HN       ILE  42   1.353   3.613   4.414
  332    HA   ILE  42           HA       ILE  42   0.532   6.125   3.064
  333    HB   ILE  42           HB       ILE  42   1.931   6.280   5.700
  334   1HG1  ILE  42          HG12      ILE  42  -0.979   5.604   5.273
  335   2HG1  ILE  42          HG11      ILE  42   0.161   4.892   6.419
  336   1HG2  ILE  42          HG21      ILE  42   1.104   8.118   3.865
  337   2HG2  ILE  42          HG22      ILE  42   1.276   8.473   5.581
  338   3HG2  ILE  42          HG23      ILE  42  -0.308   8.068   4.918
  339   1HD1  ILE  42          HD11      ILE  42  -0.912   7.717   6.491
  340   2HD1  ILE  42          HD12      ILE  42   0.292   7.062   7.601
  341   3HD1  ILE  42          HD13      ILE  42  -1.348   6.412   7.593
  342    H    ALA  43           HN       ALA  43   2.487   7.530   2.839
  343    HA   ALA  43           HA       ALA  43   5.082   6.287   3.184
  344   1HB   ALA  43          HB1       ALA  43   3.677   5.500   0.905
  345   2HB   ALA  43          HB2       ALA  43   5.415   5.349   1.157
  346   3HB   ALA  43          HB3       ALA  43   4.764   6.761   0.325
  347    H    ASP  44           HN       ASP  44   6.499   7.926   3.381
  348    HA   ASP  44           HA       ASP  44   5.661  10.533   2.228
  349   1HB   ASP  44          HB2       ASP  44   6.983  11.653   3.849
  350   2HB   ASP  44          HB1       ASP  44   6.123  10.418   4.747
  351    H    ASP  45           HN       ASP  45   7.929   7.940   2.264
  352    HA   ASP  45           HA       ASP  45  10.062   9.219   0.844
  353   1HB   ASP  45          HB2       ASP  45  10.587   7.151   1.701
  354   2HB   ASP  45          HB1       ASP  45   9.053   6.463   1.214
  355    HA   PRO  46           HA       PRO  46   7.962   9.889  -2.985
  356   1HB   PRO  46          HB2       PRO  46  10.186  10.363  -4.529
  357   2HB   PRO  46          HB1       PRO  46   9.511  11.545  -3.394
  358   1HG   PRO  46          HG2       PRO  46  11.969   9.880  -3.134
  359   2HG   PRO  46          HG1       PRO  46  11.586  11.438  -2.384
  360   1HD   PRO  46          HD2       PRO  46  11.456   8.908  -1.117
  361   2HD   PRO  46          HD1       PRO  46  10.777  10.420  -0.495
  362    H    ALA  47           HN       ALA  47  10.320   7.438  -2.513
  363    HA   ALA  47           HA       ALA  47   9.873   6.203  -5.163
  364   1HB   ALA  47          HB1       ALA  47  11.415   4.990  -2.865
  365   2HB   ALA  47          HB2       ALA  47  12.120   6.228  -3.905
  366   3HB   ALA  47          HB3       ALA  47  11.609   4.685  -4.591
  367    H    THR  48           HN       THR  48   8.200   6.243  -2.291
  368    HA   THR  48           HA       THR  48   7.444   3.392  -2.326
  369    HB   THR  48           HB       THR  48   5.772   4.267  -0.535
  370    HG1  THR  48           HG1      THR  48   5.961   6.455  -1.093
  371   1HG2  THR  48          HG21      THR  48   8.397   4.867   0.563
  372   2HG2  THR  48          HG22      THR  48   8.427   3.429  -0.455
  373   3HG2  THR  48          HG23      THR  48   7.319   3.518   0.915
  374    H    THR  49           HN       THR  49   5.989   6.542  -3.101
  375    HA   THR  49           HA       THR  49   3.372   5.636  -3.720
  376    HB   THR  49           HB       THR  49   3.030   7.696  -4.714
  377    HG1  THR  49           HG1      THR  49   4.083   7.850  -6.513
  378   1HG2  THR  49          HG21      THR  49   4.642   7.820  -2.570
  379   2HG2  THR  49          HG22      THR  49   4.104   9.261  -3.434
  380   3HG2  THR  49          HG23      THR  49   5.699   8.582  -3.757
  381    H    ARG  50           HN       ARG  50   6.381   5.486  -5.510
  382    HA   ARG  50           HA       ARG  50   4.952   4.386  -7.870
  383   1HB   ARG  50          HB2       ARG  50   7.793   5.250  -7.367
  384   2HB   ARG  50          HB1       ARG  50   7.331   4.384  -8.832
  385   1HG   ARG  50          HG2       ARG  50   6.292   6.199  -9.716
  386   2HG   ARG  50          HG1       ARG  50   5.547   6.630  -8.177
  387   1HD   ARG  50          HD2       ARG  50   7.417   7.852  -7.465
  388   2HD   ARG  50          HD1       ARG  50   8.501   7.025  -8.583
  389    HE   ARG  50           HE       ARG  50   6.936   9.387  -9.184
  390   1HH1  ARG  50          HH11      ARG  50   9.573   8.349 -10.418
  391   2HH1  ARG  50          HH12      ARG  50   9.068   8.081 -12.053
  392   1HH2  ARG  50          HH21      ARG  50   5.685   8.226 -11.313
  393   2HH2  ARG  50          HH22      ARG  50   6.868   8.013 -12.560
  394    H    ASP  51           HN       ASP  51   7.327   3.328  -5.466
  395    HA   ASP  51           HA       ASP  51   7.578   0.717  -6.777
  396   1HB   ASP  51          HB2       ASP  51   8.716   1.786  -4.181
  397   2HB   ASP  51          HB1       ASP  51   9.127   0.222  -4.891
  398    H    ILE  52           HN       ILE  52   6.275   1.834  -3.631
  399    HA   ILE  52           HA       ILE  52   5.600  -0.686  -2.611
  400    HB   ILE  52           HB       ILE  52   4.559   2.063  -2.194
  401   1HG1  ILE  52          HG12      ILE  52   5.659  -0.183  -0.506
  402   2HG1  ILE  52          HG11      ILE  52   6.423   1.360  -0.887
  403   1HG2  ILE  52          HG21      ILE  52   2.779   1.291  -0.685
  404   2HG2  ILE  52          HG22      ILE  52   3.128  -0.386  -1.108
  405   3HG2  ILE  52          HG23      ILE  52   2.469   0.712  -2.322
  406   1HD1  ILE  52          HD11      ILE  52   4.643   0.724   1.285
  407   2HD1  ILE  52          HD12      ILE  52   3.917   1.975   0.277
  408   3HD1  ILE  52          HD13      ILE  52   5.516   2.226   0.978
  409    HA   PRO  53           HA       PRO  53   1.435  -0.576  -4.841
  410   1HB   PRO  53          HB2       PRO  53   1.226   1.157  -6.959
  411   2HB   PRO  53          HB1       PRO  53   0.660   1.500  -5.315
  412   1HG   PRO  53          HG2       PRO  53   3.069   2.534  -6.740
  413   2HG   PRO  53          HG1       PRO  53   2.144   3.277  -5.424
  414   1HD   PRO  53          HD2       PRO  53   4.614   1.962  -5.144
  415   2HD   PRO  53          HD1       PRO  53   3.501   2.355  -3.816
  416    H    GLY  54           HN       GLY  54   4.011   0.467  -7.102
  417   1HA   GLY  54          HA2       GLY  54   3.410  -1.298  -9.198
  418   2HA   GLY  54          HA1       GLY  54   5.068  -0.829  -8.779
  419    H    PHE  55           HN       PHE  55   4.626  -1.949  -5.994
  420    HA   PHE  55           HA       PHE  55   5.494  -4.666  -6.622
  421   1HB   PHE  55          HB2       PHE  55   6.569  -3.974  -4.698
  422   2HB   PHE  55          HB1       PHE  55   5.206  -2.999  -4.159
  423    HD1  PHE  55           HD1      PHE  55   5.250  -6.605  -5.171
  424    HD2  PHE  55           HD2      PHE  55   4.755  -3.780  -1.982
  425    HE1  PHE  55           HE1      PHE  55   4.481  -8.421  -3.687
  426    HE2  PHE  55           HE2      PHE  55   3.987  -5.608  -0.505
  427    HZ   PHE  55           HZ       PHE  55   3.838  -7.925  -1.356
  428    H    CYS  56           HN       CYS  56   2.671  -3.312  -4.811
  429    HA   CYS  56           HA       CYS  56   1.344  -5.767  -4.440
  430   1HB   CYS  56          HB2       CYS  56   0.342  -2.958  -4.848
  431   2HB   CYS  56          HB1       CYS  56  -0.772  -4.300  -4.571
  432    HG   CYS  56           HG       CYS  56   0.939  -2.998  -2.441
  433    H    THR  57           HN       THR  57   1.399  -3.690  -7.299
  434    HA   THR  57           HA       THR  57  -0.616  -5.154  -8.742
  435    HB   THR  57           HB       THR  57   1.712  -3.609  -9.907
  436    HG1  THR  57           HG1      THR  57   0.699  -1.850  -9.355
  437   1HG2  THR  57          HG21      THR  57  -1.060  -4.279 -10.930
  438   2HG2  THR  57          HG22      THR  57   0.461  -4.941 -11.529
  439   3HG2  THR  57          HG23      THR  57   0.093  -3.231 -11.756
  440    H    PHE  58           HN       PHE  58   2.855  -5.552  -8.352
  441    HA   PHE  58           HA       PHE  58   3.179  -7.495 -10.459
  442   1HB   PHE  58          HB2       PHE  58   4.959  -6.052  -9.198
  443   2HB   PHE  58          HB1       PHE  58   4.963  -7.385  -8.044
  444    HD1  PHE  58           HD1      PHE  58   6.368  -6.175 -11.056
  445    HD2  PHE  58           HD2      PHE  58   5.116  -9.803  -9.126
  446    HE1  PHE  58           HE1      PHE  58   7.828  -7.487 -12.572
  447    HE2  PHE  58           HE2      PHE  58   6.574 -11.114 -10.643
  448    HZ   PHE  58           HZ       PHE  58   7.930  -9.956 -12.366
  449    H    MET  59           HN       MET  59   2.242  -7.774  -7.055
  450    HA   MET  59           HA       MET  59   2.579 -10.696  -7.177
  451   1HB   MET  59          HB2       MET  59   2.091  -8.736  -5.046
  452   2HB   MET  59          HB1       MET  59   1.455 -10.354  -4.783
  453   1HG   MET  59          HG2       MET  59   3.825 -11.121  -5.592
  454   2HG   MET  59          HG1       MET  59   4.306  -9.480  -5.169
  455   1HE   MET  59          HE1       MET  59   5.747 -11.916  -3.250
  456   2HE   MET  59          HE2       MET  59   4.626 -12.569  -4.442
  457   3HE   MET  59          HE3       MET  59   4.414 -12.959  -2.737
  458    H    GLU  60           HN       GLU  60   0.281  -8.766  -8.378
  459    HA   GLU  60           HA       GLU  60  -1.813  -9.418  -9.258
  460   1HB   GLU  60          HB2       GLU  60  -2.460 -11.597  -9.166
  461   2HB   GLU  60          HB1       GLU  60  -0.857 -11.844  -8.482
  462   1HG   GLU  60          HG2       GLU  60  -2.133 -11.251  -6.211
  463   2HG   GLU  60          HG1       GLU  60  -3.521 -11.844  -7.123
  464    H    HIS  61           HN       HIS  61  -1.196  -7.840  -6.745
  465    HA   HIS  61           HA       HIS  61  -3.730  -8.144  -5.253
  466   1HB   HIS  61          HB2       HIS  61  -1.435  -6.217  -4.763
  467   2HB   HIS  61          HB1       HIS  61  -2.726  -6.641  -3.649
  468    HD1  HIS  61           HD1      HIS  61  -2.179  -9.747  -5.015
  469    HD2  HIS  61           HD2      HIS  61   0.181  -7.401  -2.506
  470    HE1  HIS  61           HE1      HIS  61  -0.552 -11.320  -3.890
  471    H    GLU  62           HN       GLU  62  -4.732  -5.816  -4.715
  472    HA   GLU  62           HA       GLU  62  -4.710  -4.271  -7.275
  473   1HB   GLU  62          HB2       GLU  62  -6.934  -5.299  -5.602
  474   2HB   GLU  62          HB1       GLU  62  -7.157  -3.731  -6.357
  475   1HG   GLU  62          HG2       GLU  62  -7.325  -4.633  -8.441
  476   2HG   GLU  62          HG1       GLU  62  -6.012  -5.774  -8.147
  477    H    LEU  63           HN       LEU  63  -4.776  -2.079  -7.136
  478    HA   LEU  63           HA       LEU  63  -4.192  -0.855  -4.502
  479   1HB   LEU  63          HB2       LEU  63  -2.810   0.161  -6.099
  480   2HB   LEU  63          HB1       LEU  63  -4.003  -0.005  -7.382
  481    HG   LEU  63           HG       LEU  63  -5.386   1.757  -6.141
  482   1HD1  LEU  63          HD11      LEU  63  -3.187   1.433  -4.300
  483   2HD1  LEU  63          HD12      LEU  63  -4.656   2.391  -4.109
  484   3HD1  LEU  63          HD13      LEU  63  -3.238   3.097  -4.883
  485   1HD2  LEU  63          HD21      LEU  63  -3.351   1.967  -8.013
  486   2HD2  LEU  63          HD22      LEU  63  -2.911   3.174  -6.805
  487   3HD2  LEU  63          HD23      LEU  63  -4.490   3.245  -7.589
  488    H    VAL  64           HN       VAL  64  -6.163  -0.766  -3.362
  489    HA   VAL  64           HA       VAL  64  -8.637  -0.453  -4.740
  490    HB   VAL  64           HB       VAL  64  -7.822  -0.348  -1.836
  491   1HG1  VAL  64          HG11      VAL  64 -10.309  -0.740  -1.506
  492   2HG1  VAL  64          HG12      VAL  64 -10.514  -0.232  -3.182
  493   3HG1  VAL  64          HG13      VAL  64  -9.855   0.893  -1.994
  494   1HG2  VAL  64          HG21      VAL  64  -8.109  -2.589  -1.886
  495   2HG2  VAL  64          HG22      VAL  64  -8.012  -2.436  -3.641
  496   3HG2  VAL  64          HG23      VAL  64  -9.584  -2.461  -2.842
  497    H    ALA  65           HN       ALA  65  -6.738   1.888  -2.704
  498    HA   ALA  65           HA       ALA  65  -8.050   4.019  -4.325
  499   1HB   ALA  65          HB1       ALA  65  -8.728   3.417  -1.562
  500   2HB   ALA  65          HB2       ALA  65  -9.512   4.524  -2.689
  501   3HB   ALA  65          HB3       ALA  65  -8.131   5.067  -1.735
  502    H    LYS  66           HN       LYS  66  -6.495   5.605  -4.831
  503    HA   LYS  66           HA       LYS  66  -3.975   5.439  -3.309
  504   1HB   LYS  66          HB2       LYS  66  -4.359   7.182  -5.687
  505   2HB   LYS  66          HB1       LYS  66  -2.920   6.304  -5.170
  506   1HG   LYS  66          HG2       LYS  66  -3.582   4.925  -6.827
  507   2HG   LYS  66          HG1       LYS  66  -4.563   4.236  -5.564
  508   1HD   LYS  66          HD2       LYS  66  -6.387   4.688  -6.799
  509   2HD   LYS  66          HD1       LYS  66  -6.034   6.405  -6.613
  510   1HE   LYS  66          HE2       LYS  66  -5.194   6.590  -8.720
  511   2HE   LYS  66          HE1       LYS  66  -4.387   5.024  -8.637
  512   1HZ   LYS  66          HZ1       LYS  66  -7.260   5.538  -9.169
  513   2HZ   LYS  66          HZ2       LYS  66  -6.618   3.992  -8.874
  514   3HZ   LYS  66          HZ3       LYS  66  -6.121   4.876 -10.236
  515    H    GLU  67           HN       GLU  67  -2.882   7.414  -2.777
  516    HA   GLU  67           HA       GLU  67  -4.620   9.774  -2.369
  517   1HB   GLU  67          HB2       GLU  67  -3.313   8.106  -0.332
  518   2HB   GLU  67          HB1       GLU  67  -3.279   9.827  -0.072
  519   1HG   GLU  67          HG2       GLU  67  -5.881   8.658  -0.900
  520   2HG   GLU  67          HG1       GLU  67  -5.336   8.286   0.736
  521    H    THR  68           HN       THR  68  -3.543  11.323  -3.493
  522    HA   THR  68           HA       THR  68  -0.623  11.671  -2.961
  523    HB   THR  68           HB       THR  68  -0.148  12.006  -5.291
  524    HG1  THR  68           HG1      THR  68  -1.727  12.179  -6.801
  525   1HG2  THR  68          HG21      THR  68  -0.569   9.839  -6.195
  526   2HG2  THR  68          HG22      THR  68  -2.048   9.656  -5.253
  527   3HG2  THR  68          HG23      THR  68  -0.479   9.618  -4.448
  528    H    ASP  69           HN       ASP  69  -3.038  12.968  -1.927
  529    HA   ASP  69           HA       ASP  69  -3.256  15.545  -3.292
  530   1HB   ASP  69          HB2       ASP  69  -4.237  14.695  -0.563
  531   2HB   ASP  69          HB1       ASP  69  -4.740  16.148  -1.429
  532    H    GLY  70           HN       GLY  70  -0.820  14.329  -1.625
  533   1HA   GLY  70          HA2       GLY  70   0.973  16.116  -1.292
  534   2HA   GLY  70          HA1       GLY  70  -0.169  16.789  -0.159
  535    H    LEU  71           HN       LEU  71   2.466  15.165  -0.234
  536    HA   LEU  71           HA       LEU  71   2.484  12.816   1.092
  537   1HB   LEU  71          HB2       LEU  71   4.162  15.216   1.854
  538   2HB   LEU  71          HB1       LEU  71   4.489  13.569   2.353
  539    HG   LEU  71           HG       LEU  71   4.091  14.026  -0.530
  540   1HD1  LEU  71          HD11      LEU  71   6.673  14.472  -0.559
  541   2HD1  LEU  71          HD12      LEU  71   6.405  15.058   1.082
  542   3HD1  LEU  71          HD13      LEU  71   5.575  15.822  -0.273
  543   1HD2  LEU  71          HD21      LEU  71   6.032  12.353  -0.509
  544   2HD2  LEU  71          HD22      LEU  71   4.502  11.784   0.158
  545   3HD2  LEU  71          HD23      LEU  71   5.803  12.282   1.238
  546    HA   PRO  72           HA       PRO  72   3.369  11.761   2.517
  547   1HB   PRO  72          HB2       PRO  72   2.381   9.716   4.024
  548   2HB   PRO  72          HB1       PRO  72   3.608  10.845   4.635
  549   1HG   PRO  72          HG2       PRO  72   0.697  10.719   5.236
  550   2HG   PRO  72          HG1       PRO  72   2.019  11.279   6.277
  551   1HD   PRO  72          HD2       PRO  72   0.234  12.941   4.852
  552   2HD   PRO  72          HD1       PRO  72   1.793  13.457   5.535
  553    H    TYR  73           HN       TYR  73   2.817  10.186   0.991
  554    HA   TYR  73           HA       TYR  73   0.217  10.268  -0.209
  555   1HB   TYR  73          HB2       TYR  73   2.144   8.058  -0.661
  556   2HB   TYR  73          HB1       TYR  73   1.034   8.790  -1.812
  557    HD1  TYR  73           HD1      TYR  73   4.291   8.718  -0.487
  558    HD2  TYR  73           HD2      TYR  73   1.496  11.253  -2.485
  559    HE1  TYR  73           HE1      TYR  73   6.175  10.091  -1.318
  560    HE2  TYR  73           HE2      TYR  73   3.345  12.688  -3.286
  561    HH   TYR  73           HH       TYR  73   6.750  11.816  -2.640
  562    H    ARG  74           HN       ARG  74  -1.204   8.316  -0.487
  563    HA   ARG  74           HA       ARG  74  -0.695   6.158   1.416
  564   1HB   ARG  74          HB2       ARG  74  -3.037   8.026   1.573
  565   2HB   ARG  74          HB1       ARG  74  -3.197   6.336   2.068
  566   1HG   ARG  74          HG2       ARG  74  -1.804   6.555   3.837
  567   2HG   ARG  74          HG1       ARG  74  -0.833   7.783   3.063
  568   1HD   ARG  74          HD2       ARG  74  -2.057   9.463   3.965
  569   2HD   ARG  74          HD1       ARG  74  -3.574   8.674   3.535
  570    HE   ARG  74           HE       ARG  74  -2.881   7.174   5.646
  571   1HH1  ARG  74          HH21      ARG  74  -1.314  10.088   5.630
  572   2HH1  ARG  74          HH22      ARG  74  -2.041  10.713   7.073
  573   1HH2  ARG  74          HH11      ARG  74  -4.393   8.176   7.305
  574   2HH2  ARG  74          HH12      ARG  74  -3.783   9.631   8.021
  575    H    TYR  75           HN       TYR  75  -1.857   4.286   0.861
  576    HA   TYR  75           HA       TYR  75  -3.402   4.374  -1.623
  577   1HB   TYR  75          HB2       TYR  75  -1.211   2.393  -1.574
  578   2HB   TYR  75          HB1       TYR  75  -1.992   3.173  -2.951
  579    HD1  TYR  75           HD1      TYR  75  -1.539   5.754  -3.219
  580    HD2  TYR  75           HD2      TYR  75   0.774   3.119  -0.822
  581    HE1  TYR  75           HE1      TYR  75   0.369   7.331  -3.374
  582    HE2  TYR  75           HE2      TYR  75   2.716   4.681  -0.941
  583    HH   TYR  75           HH       TYR  75   3.343   6.777  -1.534
  584    H    LEU  76           HN       LEU  76  -5.093   2.935  -1.316
  585    HA   LEU  76           HA       LEU  76  -4.777   1.027   0.815
  586   1HB   LEU  76          HB2       LEU  76  -6.959   2.135   0.602
  587   2HB   LEU  76          HB1       LEU  76  -7.133   1.494  -1.016
  588    HG   LEU  76           HG       LEU  76  -6.748  -0.805   0.049
  589   1HD1  LEU  76          HD11      LEU  76  -7.434  -0.922   2.431
  590   2HD1  LEU  76          HD12      LEU  76  -7.432   0.841   2.490
  591   3HD1  LEU  76          HD13      LEU  76  -5.928  -0.034   2.205
  592   1HD2  LEU  76          HD21      LEU  76  -9.275  -0.065   1.139
  593   2HD2  LEU  76          HD22      LEU  76  -8.917  -0.953  -0.342
  594   3HD2  LEU  76          HD23      LEU  76  -9.005   0.810  -0.367
  595    H    ILE  77           HN       ILE  77  -4.942  -1.345   0.256
  596    HA   ILE  77           HA       ILE  77  -4.879  -1.883  -2.639
  597    HB   ILE  77           HB       ILE  77  -2.781  -2.904  -0.720
  598   1HG1  ILE  77          HG12      ILE  77  -2.884  -0.508  -2.536
  599   2HG1  ILE  77          HG11      ILE  77  -2.318  -0.608  -0.875
  600   1HG2  ILE  77          HG21      ILE  77  -2.376  -2.834  -3.666
  601   2HG2  ILE  77          HG22      ILE  77  -3.561  -4.000  -3.076
  602   3HG2  ILE  77          HG23      ILE  77  -1.900  -4.063  -2.496
  603   1HD1  ILE  77          HD11      ILE  77  -0.470  -0.368  -2.564
  604   2HD1  ILE  77          HD12      ILE  77  -0.924  -1.945  -3.209
  605   3HD1  ILE  77          HD13      ILE  77  -0.331  -1.807  -1.553
  606    H    ARG  78           HN       ARG  78  -6.594  -3.295  -2.806
  607    HA   ARG  78           HA       ARG  78  -7.273  -5.099  -0.624
  608   1HB   ARG  78          HB2       ARG  78  -9.045  -4.439  -2.127
  609   2HB   ARG  78          HB1       ARG  78  -8.133  -4.997  -3.530
  610   1HG   ARG  78          HG2       ARG  78  -8.185  -7.321  -2.447
  611   2HG   ARG  78          HG1       ARG  78  -9.405  -6.665  -1.357
  612   1HD   ARG  78          HD2       ARG  78 -10.972  -7.013  -2.928
  613   2HD   ARG  78          HD1       ARG  78 -10.134  -5.881  -3.990
  614    HE   ARG  78           HE       ARG  78  -8.733  -7.938  -4.680
  615   1HH1  ARG  78          HH21      ARG  78 -11.495  -7.791  -5.915
  616   2HH1  ARG  78          HH22      ARG  78 -12.080  -9.399  -5.647
  617   1HH2  ARG  78          HH11      ARG  78  -9.676 -10.159  -3.266
  618   2HH2  ARG  78          HH12      ARG  78 -11.051 -10.739  -4.147
  619    H    LYS  79           HN       LYS  79  -5.882  -6.735  -0.112
  620    HA   LYS  79           HA       LYS  79  -3.978  -7.843  -1.991
  621   1HB   LYS  79          HB2       LYS  79  -4.292  -7.862   0.766
  622   2HB   LYS  79          HB1       LYS  79  -4.612  -9.534   0.310
  623   1HG   LYS  79          HG2       LYS  79  -2.222  -8.014  -0.744
  624   2HG   LYS  79          HG1       LYS  79  -2.160  -8.918   0.769
  625   1HD   LYS  79          HD2       LYS  79  -3.209 -10.257  -1.706
  626   2HD   LYS  79          HD1       LYS  79  -1.467 -10.103  -1.472
  627   1HE   LYS  79          HE2       LYS  79  -1.674 -11.199   0.737
  628   2HE   LYS  79          HE1       LYS  79  -3.410 -11.378   0.478
  629   1HZ   LYS  79          HZ1       LYS  79  -2.957 -12.721  -1.467
  630   2HZ   LYS  79          HZ2       LYS  79  -2.198 -13.392  -0.104
  631   3HZ   LYS  79          HZ3       LYS  79  -1.286 -12.530  -1.250
  632    H    GLY  80           HN       GLY  80  -4.756  -8.982  -3.684
  633   1HA   GLY  80          HA2       GLY  80  -5.850 -11.528  -3.520
  634   2HA   GLY  80          HA1       GLY  80  -7.249 -10.457  -3.586
  635    H    GLY  81           HN       GLY  81  -6.702 -12.265  -5.632
  636   1HA   GLY  81          HA2       GLY  81  -6.406 -10.400  -7.897
  637   2HA   GLY  81          HA1       GLY  81  -5.255 -11.736  -7.843
  Start of MODEL   15
    1   1H    MET   1          HT1       MET   1 -20.671   6.382   4.097
    2   2H    MET   1          HT2       MET   1 -20.560   5.199   5.312
    3   3H    MET   1          HT3       MET   1 -21.930   6.200   5.220
    4    HA   MET   1           HA       MET   1 -22.514   4.069   4.350
    5   1HB   MET   1          HB2       MET   1 -22.147   6.313   2.369
    6   2HB   MET   1          HB1       MET   1 -22.899   4.792   1.887
    7   1HG   MET   1          HG2       MET   1 -24.840   5.420   2.830
    8   2HG   MET   1          HG1       MET   1 -24.037   5.637   4.385
    9   1HE   MET   1          HE1       MET   1 -25.508   7.650   5.166
   10   2HE   MET   1          HE2       MET   1 -26.451   7.198   3.750
   11   3HE   MET   1          HE3       MET   1 -26.069   8.892   4.040
   12    H    THR   2           HN       THR   2 -20.656   5.146   1.567
   13    HA   THR   2           HA       THR   2 -19.159   2.560   1.688
   14    HB   THR   2           HB       THR   2 -18.858   3.102  -0.849
   15    HG1  THR   2           HG1      THR   2 -19.687   5.034  -1.157
   16   1HG2  THR   2          HG21      THR   2 -21.708   2.528  -0.426
   17   2HG2  THR   2          HG22      THR   2 -20.632   1.557   0.579
   18   3HG2  THR   2          HG23      THR   2 -20.461   1.535  -1.177
   19    H    ASP   3           HN       ASP   3 -17.131   2.953   2.460
   20    HA   ASP   3           HA       ASP   3 -15.759   5.445   1.540
   21   1HB   ASP   3          HB2       ASP   3 -15.800   3.974   4.118
   22   2HB   ASP   3          HB1       ASP   3 -14.234   4.611   3.618
   23    H    LEU   4           HN       LEU   4 -13.474   5.236   1.002
   24    HA   LEU   4           HA       LEU   4 -12.862   2.568  -0.151
   25   1HB   LEU   4          HB2       LEU   4 -11.245   5.084  -0.549
   26   2HB   LEU   4          HB1       LEU   4 -11.377   3.684  -1.615
   27    HG   LEU   4           HG       LEU   4 -13.711   5.500  -0.965
   28   1HD1  LEU   4          HD11      LEU   4 -11.445   6.122  -2.523
   29   2HD1  LEU   4          HD12      LEU   4 -12.985   6.983  -2.495
   30   3HD1  LEU   4          HD13      LEU   4 -12.713   5.700  -3.675
   31   1HD2  LEU   4          HD21      LEU   4 -13.477   3.843  -3.438
   32   2HD2  LEU   4          HD22      LEU   4 -14.907   4.242  -2.488
   33   3HD2  LEU   4          HD23      LEU   4 -13.794   2.995  -1.925
   34    H    PHE   5           HN       PHE   5 -11.108   5.145   1.624
   35    HA   PHE   5           HA       PHE   5  -9.106   3.183   2.509
   36   1HB   PHE   5          HB2       PHE   5  -9.423   6.147   2.641
   37   2HB   PHE   5          HB1       PHE   5  -8.417   5.378   3.869
   38    HD1  PHE   5           HD1      PHE   5  -6.482   6.639   2.851
   39    HD2  PHE   5           HD2      PHE   5  -8.664   3.647   0.686
   40    HE1  PHE   5           HE1      PHE   5  -4.643   6.428   1.211
   41    HE2  PHE   5           HE2      PHE   5  -6.782   3.468  -0.920
   42    HZ   PHE   5           HZ       PHE   5  -4.782   4.905  -0.677
   43    H    SER   6           HN       SER   6 -12.100   3.385   3.437
   44    HA   SER   6           HA       SER   6 -12.316   4.077   6.126
   45   1HB   SER   6          HB2       SER   6 -14.278   3.260   5.084
   46   2HB   SER   6          HB1       SER   6 -13.492   1.772   4.570
   47    HG   SER   6           HG       SER   6 -14.520   2.512   7.055
   48    H    SER   7           HN       SER   7 -12.462   2.294   7.967
   49    HA   SER   7           HA       SER   7  -9.897   1.502   8.694
   50   1HB   SER   7          HB2       SER   7 -11.116  -0.351  10.033
   51   2HB   SER   7          HB1       SER   7 -11.554   1.321  10.369
   52    HG   SER   7           HG       SER   7 -12.892  -0.322   8.481
   53    HA   PRO   8           HA       PRO   8  -9.427  -1.586   5.426
   54   1HB   PRO   8          HB2       PRO   8  -6.683  -1.572   5.542
   55   2HB   PRO   8          HB1       PRO   8  -7.632  -0.397   4.620
   56   1HG   PRO   8          HG2       PRO   8  -6.211  -0.033   7.220
   57   2HG   PRO   8          HG1       PRO   8  -6.580   1.163   5.968
   58   1HD   PRO   8          HD2       PRO   8  -7.988   0.838   8.387
   59   2HD   PRO   8          HD1       PRO   8  -8.558   1.746   6.972
   60    H    ASP   9           HN       ASP   9  -8.342  -3.755   5.448
   61    HA   ASP   9           HA       ASP   9  -8.663  -5.039   8.033
   62   1HB   ASP   9          HB2       ASP   9  -7.647  -6.005   5.349
   63   2HB   ASP   9          HB1       ASP   9  -7.739  -7.054   6.765
   64    H    HIS  10           HN       HIS  10  -6.024  -3.633   6.267
   65    HA   HIS  10           HA       HIS  10  -4.215  -4.267   8.530
   66   1HB   HIS  10          HB2       HIS  10  -3.791  -5.007   5.638
   67   2HB   HIS  10          HB1       HIS  10  -2.434  -4.781   6.734
   68    HD1  HIS  10           HD1      HIS  10  -1.928  -6.668   8.360
   69    HD2  HIS  10           HD2      HIS  10  -5.615  -7.133   6.472
   70    HE1  HIS  10           HE1      HIS  10  -2.781  -8.963   9.011
   71    H    THR  11           HN       THR  11  -2.051  -2.978   8.135
   72    HA   THR  11           HA       THR  11  -2.494  -0.523   6.536
   73    HB   THR  11           HB       THR  11  -1.734  -0.463   9.454
   74    HG1  THR  11           HG1      THR  11  -3.843  -0.912   9.488
   75   1HG2  THR  11          HG21      THR  11  -2.530   2.031   8.893
   76   2HG2  THR  11          HG22      THR  11  -2.000   1.557   7.279
   77   3HG2  THR  11          HG23      THR  11  -0.867   1.504   8.630
   78    H    LEU  12           HN       LEU  12  -0.458   0.724   6.314
   79    HA   LEU  12           HA       LEU  12   2.020  -0.679   7.138
   80   1HB   LEU  12          HB2       LEU  12   1.733  -1.679   4.988
   81   2HB   LEU  12          HB1       LEU  12   1.218  -0.153   4.281
   82    HG   LEU  12           HG       LEU  12   3.438   0.758   4.301
   83   1HD1  LEU  12          HD11      LEU  12   5.246  -0.731   5.533
   84   2HD1  LEU  12          HD12      LEU  12   3.855  -1.316   6.445
   85   3HD1  LEU  12          HD13      LEU  12   4.258   0.399   6.456
   86   1HD2  LEU  12          HD21      LEU  12   3.358  -2.177   3.643
   87   2HD2  LEU  12          HD22      LEU  12   4.891  -1.312   3.571
   88   3HD2  LEU  12          HD23      LEU  12   3.544  -0.794   2.566
   89    H    ASP  13           HN       ASP  13   2.996   1.007   8.201
   90    HA   ASP  13           HA       ASP  13   2.687   3.766   7.284
   91   1HB   ASP  13          HB2       ASP  13   3.114   3.029   9.708
   92   2HB   ASP  13          HB1       ASP  13   4.779   2.718   9.213
   93    H    ALA  14           HN       ALA  14   4.119   4.842   5.862
   94    HA   ALA  14           HA       ALA  14   6.679   3.447   5.309
   95   1HB   ALA  14          HB1       ALA  14   5.193   4.427   2.929
   96   2HB   ALA  14          HB2       ALA  14   4.700   2.892   3.648
   97   3HB   ALA  14          HB3       ALA  14   6.353   3.107   3.074
   98    H    LEU  15           HN       LEU  15   5.475   5.861   6.541
   99    HA   LEU  15           HA       LEU  15   6.651   8.126   5.152
  100   1HB   LEU  15          HB2       LEU  15   5.802   8.167   8.013
  101   2HB   LEU  15          HB1       LEU  15   5.643   9.385   6.760
  102    HG   LEU  15           HG       LEU  15   4.034   6.845   6.990
  103   1HD1  LEU  15          HD11      LEU  15   2.783   9.517   6.753
  104   2HD1  LEU  15          HD12      LEU  15   3.605   9.180   8.277
  105   3HD1  LEU  15          HD13      LEU  15   2.302   8.128   7.726
  106   1HD2  LEU  15          HD21      LEU  15   3.836   9.007   4.883
  107   2HD2  LEU  15          HD22      LEU  15   2.987   7.468   4.923
  108   3HD2  LEU  15          HD23      LEU  15   4.722   7.504   4.643
  109    H    GLY  16           HN       GLY  16   8.775   7.978   5.100
  110   1HA   GLY  16          HA2       GLY  16  10.916   8.387   6.216
  111   2HA   GLY  16          HA1       GLY  16  10.260   7.589   7.655
  112    H    LEU  17           HN       LEU  17   9.097   5.857   5.144
  113    HA   LEU  17           HA       LEU  17  11.190   3.783   5.370
  114   1HB   LEU  17          HB2       LEU  17   8.380   3.749   4.225
  115   2HB   LEU  17          HB1       LEU  17   9.478   2.375   4.190
  116    HG   LEU  17           HG       LEU  17   8.041   3.602   6.502
  117   1HD1  LEU  17          HD11      LEU  17   7.143   1.584   5.541
  118   2HD1  LEU  17          HD12      LEU  17   7.943   1.107   7.040
  119   3HD1  LEU  17          HD13      LEU  17   8.737   0.832   5.488
  120   1HD2  LEU  17          HD21      LEU  17  10.754   2.296   6.559
  121   2HD2  LEU  17          HD22      LEU  17   9.661   2.214   7.943
  122   3HD2  LEU  17          HD23      LEU  17  10.232   3.778   7.360
  123    H    ARG  18           HN       ARG  18  12.099   2.948   3.421
  124    HA   ARG  18           HA       ARG  18  11.313   4.408   0.973
  125   1HB   ARG  18          HB2       ARG  18  13.843   4.701   0.497
  126   2HB   ARG  18          HB1       ARG  18  13.020   5.808   1.597
  127   1HG   ARG  18          HG2       ARG  18  13.919   4.748   3.524
  128   2HG   ARG  18          HG1       ARG  18  14.419   3.330   2.601
  129   1HD   ARG  18          HD2       ARG  18  16.365   4.742   3.106
  130   2HD   ARG  18          HD1       ARG  18  16.057   4.725   1.369
  131    HE   ARG  18           HE       ARG  18  15.388   7.012   1.501
  132   1HH1  ARG  18          HH11      ARG  18  17.574   6.804   3.720
  133   2HH1  ARG  18          HH12      ARG  18  16.828   7.756   4.959
  134   1HH2  ARG  18          HH21      ARG  18  13.695   7.717   3.475
  135   2HH2  ARG  18          HH22      ARG  18  14.632   8.273   4.822
  136    H    CYS  19           HN       CYS  19  11.760   3.264  -0.906
  137    HA   CYS  19           HA       CYS  19  11.590   0.480  -0.826
  138   1HB   CYS  19          HB2       CYS  19  11.219   1.569  -2.902
  139   2HB   CYS  19          HB1       CYS  19  12.833   2.273  -2.915
  140    HG   CYS  19           HG       CYS  19  13.822   0.039  -3.600
  141    HA   PRO  20           HA       PRO  20  12.014  -1.300  -1.507
  142   1HB   PRO  20          HB2       PRO  20  12.868  -3.716  -0.564
  143   2HB   PRO  20          HB1       PRO  20  13.425  -3.038  -2.105
  144   1HG   PRO  20          HG2       PRO  20  14.892  -3.278   0.473
  145   2HG   PRO  20          HG1       PRO  20  15.533  -3.172  -1.172
  146   1HD   PRO  20          HD2       PRO  20  15.384  -1.067   0.751
  147   2HD   PRO  20          HD1       PRO  20  15.863  -0.923  -0.955
  148    H    GLU  21           HN       GLU  21  13.054  -0.389   1.509
  149    HA   GLU  21           HA       GLU  21  11.972  -2.147   3.364
  150   1HB   GLU  21          HB2       GLU  21  12.253   0.808   3.454
  151   2HB   GLU  21          HB1       GLU  21  11.662  -0.094   4.840
  152   1HG   GLU  21          HG2       GLU  21  14.083  -1.237   3.622
  153   2HG   GLU  21          HG1       GLU  21  14.320   0.379   4.288
  154    HA   PRO  22           HA       PRO  22   7.755   0.041   3.346
  155   1HB   PRO  22          HB2       PRO  22   7.131   1.327   0.990
  156   2HB   PRO  22          HB1       PRO  22   7.796   2.138   2.406
  157   1HG   PRO  22          HG2       PRO  22   9.155   1.380  -0.136
  158   2HG   PRO  22          HG1       PRO  22   9.508   2.722   0.968
  159   1HD   PRO  22          HD2       PRO  22  10.961   0.351   0.838
  160   2HD   PRO  22          HD1       PRO  22  10.968   1.445   2.226
  161    H    VAL  23           HN       VAL  23   8.475  -0.475  -0.081
  162    HA   VAL  23           HA       VAL  23   6.343  -2.160  -0.752
  163    HB   VAL  23           HB       VAL  23   9.253  -2.346  -1.581
  164   1HG1  VAL  23          HG11      VAL  23   6.767  -3.745  -2.546
  165   2HG1  VAL  23          HG12      VAL  23   8.361  -4.424  -2.215
  166   3HG1  VAL  23          HG13      VAL  23   8.105  -3.439  -3.655
  167   1HG2  VAL  23          HG21      VAL  23   8.806  -0.727  -3.127
  168   2HG2  VAL  23          HG22      VAL  23   7.493  -0.305  -2.027
  169   3HG2  VAL  23          HG23      VAL  23   7.178  -1.330  -3.426
  170    H    MET  24           HN       MET  24   9.182  -2.774   1.220
  171    HA   MET  24           HA       MET  24   8.997  -5.665   1.172
  172   1HB   MET  24          HB2       MET  24  10.422  -3.626   2.826
  173   2HB   MET  24          HB1       MET  24  10.268  -5.256   3.480
  174   1HG   MET  24          HG2       MET  24  11.376  -6.216   1.584
  175   2HG   MET  24          HG1       MET  24  11.293  -4.698   0.688
  176   1HE   MET  24          HE1       MET  24  14.606  -5.979   1.211
  177   2HE   MET  24          HE2       MET  24  13.205  -6.928   1.703
  178   3HE   MET  24          HE3       MET  24  14.424  -6.489   2.896
  179    H    MET  25           HN       MET  25   7.809  -3.184   3.433
  180    HA   MET  25           HA       MET  25   6.667  -4.975   5.322
  181   1HB   MET  25          HB2       MET  25   6.203  -2.119   4.558
  182   2HB   MET  25          HB1       MET  25   5.020  -2.908   5.602
  183   1HG   MET  25          HG2       MET  25   7.978  -3.035   6.191
  184   2HG   MET  25          HG1       MET  25   6.980  -1.696   6.760
  185   1HE   MET  25          HE1       MET  25   8.703  -4.048   8.422
  186   2HE   MET  25          HE2       MET  25   8.210  -5.153   7.140
  187   3HE   MET  25          HE3       MET  25   7.743  -5.484   8.807
  188    H    VAL  26           HN       VAL  26   5.285  -3.522   2.364
  189    HA   VAL  26           HA       VAL  26   2.670  -4.657   2.727
  190    HB   VAL  26           HB       VAL  26   4.118  -4.033   0.139
  191   1HG1  VAL  26          HG11      VAL  26   2.261  -4.734  -0.961
  192   2HG1  VAL  26          HG12      VAL  26   1.206  -3.838   0.131
  193   3HG1  VAL  26          HG13      VAL  26   1.734  -5.465   0.555
  194   1HG2  VAL  26          HG21      VAL  26   3.886  -1.949   1.146
  195   2HG2  VAL  26          HG22      VAL  26   2.463  -2.440   2.062
  196   3HG2  VAL  26          HG23      VAL  26   2.324  -2.083   0.342
  197    H    ARG  27           HN       ARG  27   5.694  -6.003   1.562
  198    HA   ARG  27           HA       ARG  27   4.590  -8.316   0.245
  199   1HB   ARG  27          HB2       ARG  27   7.263  -7.558   1.293
  200   2HB   ARG  27          HB1       ARG  27   6.937  -9.291   1.159
  201   1HG   ARG  27          HG2       ARG  27   7.691  -8.916  -0.980
  202   2HG   ARG  27          HG1       ARG  27   5.990  -8.514  -1.227
  203   1HD   ARG  27          HD2       ARG  27   6.388  -6.222  -1.177
  204   2HD   ARG  27          HD1       ARG  27   7.892  -6.403  -0.285
  205    HE   ARG  27           HE       ARG  27   7.711  -6.292  -3.117
  206   1HH1  ARG  27          HH11      ARG  27  10.066  -6.539  -0.962
  207   2HH1  ARG  27          HH12      ARG  27  10.992  -7.779  -1.739
  208   1HH2  ARG  27          HH21      ARG  27   8.486  -8.613  -3.985
  209   2HH2  ARG  27          HH22      ARG  27  10.098  -8.953  -3.450
  210    H    LYS  28           HN       LYS  28   6.040  -8.002   3.463
  211    HA   LYS  28           HA       LYS  28   5.334 -10.615   4.380
  212   1HB   LYS  28          HB2       LYS  28   5.926  -8.031   5.844
  213   2HB   LYS  28          HB1       LYS  28   5.561  -9.530   6.700
  214   1HG   LYS  28          HG2       LYS  28   7.419 -10.623   5.358
  215   2HG   LYS  28          HG1       LYS  28   7.862  -9.008   4.802
  216   1HD   LYS  28          HD2       LYS  28   7.552  -8.826   7.611
  217   2HD   LYS  28          HD1       LYS  28   8.497 -10.285   7.307
  218   1HE   LYS  28          HE2       LYS  28   9.378  -8.128   5.586
  219   2HE   LYS  28          HE1       LYS  28   9.437  -7.634   7.278
  220   1HZ   LYS  28          HZ1       LYS  28  10.523 -10.227   6.356
  221   2HZ   LYS  28          HZ2       LYS  28  10.824  -9.421   7.821
  222   3HZ   LYS  28          HZ3       LYS  28  11.460  -8.813   6.367
  223    H    THR  29           HN       THR  29   3.722  -7.519   4.504
  224    HA   THR  29           HA       THR  29   1.428  -8.305   6.039
  225    HB   THR  29           HB       THR  29   2.248  -6.114   4.221
  226    HG1  THR  29           HG1      THR  29   1.208  -5.005   6.149
  227   1HG2  THR  29          HG21      THR  29  -0.050  -6.686   3.436
  228   2HG2  THR  29          HG22      THR  29   0.067  -5.075   4.138
  229   3HG2  THR  29          HG23      THR  29  -0.637  -6.394   5.074
  230    H    VAL  30           HN       VAL  30   2.404  -8.402   2.701
  231    HA   VAL  30           HA       VAL  30  -0.160  -9.218   1.607
  232    HB   VAL  30           HB       VAL  30   2.709  -9.182   0.678
  233   1HG1  VAL  30          HG11      VAL  30   0.375 -10.528  -0.664
  234   2HG1  VAL  30          HG12      VAL  30   1.955 -11.214  -0.282
  235   3HG1  VAL  30          HG13      VAL  30   1.804  -9.996  -1.551
  236   1HG2  VAL  30          HG21      VAL  30   0.376  -8.052  -0.823
  237   2HG2  VAL  30          HG22      VAL  30   2.033  -7.460  -0.729
  238   3HG2  VAL  30          HG23      VAL  30   0.930  -7.216   0.626
  239    H    ARG  31           HN       ARG  31   2.564 -10.683   3.127
  240    HA   ARG  31           HA       ARG  31   2.014 -13.423   2.350
  241   1HB   ARG  31          HB2       ARG  31   3.690 -12.209   4.565
  242   2HB   ARG  31          HB1       ARG  31   3.625 -13.938   4.227
  243   1HG   ARG  31          HG2       ARG  31   4.510 -13.580   1.981
  244   2HG   ARG  31          HG1       ARG  31   4.461 -11.836   2.204
  245   1HD   ARG  31          HD2       ARG  31   6.450 -11.842   3.253
  246   2HD   ARG  31          HD1       ARG  31   5.910 -13.091   4.374
  247    HE   ARG  31           HE       ARG  31   6.798 -14.764   2.878
  248   1HH1  ARG  31          HH21      ARG  31   9.019 -12.686   2.884
  249   2HH1  ARG  31          HH22      ARG  31   9.366 -12.556   1.192
  250   1HH2  ARG  31          HH11      ARG  31   6.423 -14.100   0.200
  251   2HH2  ARG  31          HH12      ARG  31   7.895 -13.356  -0.328
  252    H    ASN  32           HN       ASN  32   1.105 -11.258   5.012
  253    HA   ASN  32           HA       ASN  32  -0.362 -13.565   6.237
  254   1HB   ASN  32          HB2       ASN  32  -0.223 -12.526   8.292
  255   2HB   ASN  32          HB1       ASN  32   1.217 -11.849   7.541
  256   1HD2  ASN  32          HD21      ASN  32   0.430  -9.803   6.042
  257   2HD2  ASN  32          HD22      ASN  32  -0.502  -8.670   6.895
  258    H    MET  33           HN       MET  33  -0.988 -11.526   3.881
  259    HA   MET  33           HA       MET  33  -3.651 -10.638   4.838
  260   1HB   MET  33          HB2       MET  33  -1.873  -9.896   2.565
  261   2HB   MET  33          HB1       MET  33  -3.611  -9.781   2.290
  262   1HG   MET  33          HG2       MET  33  -3.523  -8.593   4.681
  263   2HG   MET  33          HG1       MET  33  -1.885  -8.226   4.167
  264   1HE   MET  33          HE1       MET  33  -5.606  -7.415   1.651
  265   2HE   MET  33          HE2       MET  33  -5.801  -7.409   3.401
  266   3HE   MET  33          HE3       MET  33  -5.187  -8.850   2.596
  267    H    GLN  34           HN       GLN  34  -5.391 -10.882   3.016
  268    HA   GLN  34           HA       GLN  34  -5.212 -13.558   1.727
  269   1HB   GLN  34          HB2       GLN  34  -7.416 -12.589   3.572
  270   2HB   GLN  34          HB1       GLN  34  -7.576 -13.989   2.512
  271   1HG   GLN  34          HG2       GLN  34  -6.113 -15.269   3.749
  272   2HG   GLN  34          HG1       GLN  34  -5.172 -13.872   4.275
  273   1HE2  GLN  34          HE21      GLN  34  -5.333 -13.931   6.540
  274   2HE2  GLN  34          HE22      GLN  34  -6.798 -14.018   7.393
  275    HA   PRO  35           HA       PRO  35  -7.055 -11.409  -1.601
  276   1HB   PRO  35          HB2       PRO  35  -8.435 -13.477  -2.803
  277   2HB   PRO  35          HB1       PRO  35  -6.684 -13.238  -2.937
  278   1HG   PRO  35          HG2       PRO  35  -8.193 -15.215  -1.273
  279   2HG   PRO  35          HG1       PRO  35  -6.578 -15.355  -1.991
  280   1HD   PRO  35          HD2       PRO  35  -7.081 -14.789   0.708
  281   2HD   PRO  35          HD1       PRO  35  -5.552 -14.456  -0.133
  282    H    GLY  36           HN       GLY  36  -8.722 -10.057  -1.432
  283   1HA   GLY  36          HA2       GLY  36 -11.140  -9.635  -1.504
  284   2HA   GLY  36          HA1       GLY  36 -11.357 -11.057  -0.472
  285    H    GLU  37           HN       GLU  37  -8.617  -9.093   0.214
  286    HA   GLU  37           HA       GLU  37 -10.073  -7.898   2.543
  287   1HB   GLU  37          HB2       GLU  37  -7.469  -9.342   2.334
  288   2HB   GLU  37          HB1       GLU  37  -7.573  -8.004   3.473
  289   1HG   GLU  37          HG2       GLU  37  -9.737  -9.099   4.319
  290   2HG   GLU  37          HG1       GLU  37  -9.234 -10.524   3.409
  291    H    THR  38           HN       THR  38  -8.334  -6.083   3.475
  292    HA   THR  38           HA       THR  38  -7.359  -4.531   1.132
  293    HB   THR  38           HB       THR  38  -8.358  -2.482   2.454
  294    HG1  THR  38           HG1      THR  38  -9.660  -3.034   3.986
  295   1HG2  THR  38          HG21      THR  38 -10.639  -3.725   1.222
  296   2HG2  THR  38          HG22      THR  38  -9.194  -4.107   0.287
  297   3HG2  THR  38          HG23      THR  38  -9.624  -2.424   0.599
  298    H    LEU  39           HN       LEU  39  -5.760  -2.956   1.650
  299    HA   LEU  39           HA       LEU  39  -4.642  -2.987   4.414
  300   1HB   LEU  39          HB2       LEU  39  -3.369  -4.726   3.370
  301   2HB   LEU  39          HB1       LEU  39  -3.199  -3.808   1.877
  302    HG   LEU  39           HG       LEU  39  -2.048  -2.049   3.539
  303   1HD1  LEU  39          HD11      LEU  39  -0.583  -3.603   5.060
  304   2HD1  LEU  39          HD12      LEU  39  -1.955  -4.703   4.924
  305   3HD1  LEU  39          HD13      LEU  39  -2.177  -3.094   5.608
  306   1HD2  LEU  39          HD21      LEU  39   0.143  -3.244   3.009
  307   2HD2  LEU  39          HD22      LEU  39  -0.893  -2.903   1.622
  308   3HD2  LEU  39          HD23      LEU  39  -0.835  -4.530   2.302
  309    H    LEU  40           HN       LEU  40  -4.474  -0.812   4.890
  310    HA   LEU  40           HA       LEU  40  -4.199   1.143   2.703
  311   1HB   LEU  40          HB2       LEU  40  -5.732   1.790   4.440
  312   2HB   LEU  40          HB1       LEU  40  -4.554   1.423   5.701
  313    HG   LEU  40           HG       LEU  40  -3.064   3.206   4.673
  314   1HD1  LEU  40          HD11      LEU  40  -4.952   4.841   3.453
  315   2HD1  LEU  40          HD12      LEU  40  -5.329   3.238   2.821
  316   3HD1  LEU  40          HD13      LEU  40  -3.709   3.906   2.621
  317   1HD2  LEU  40          HD21      LEU  40  -5.105   4.981   5.378
  318   2HD2  LEU  40          HD22      LEU  40  -3.927   4.262   6.476
  319   3HD2  LEU  40          HD23      LEU  40  -5.502   3.500   6.248
  320    H    ILE  41           HN       ILE  41  -2.339   2.469   2.464
  321    HA   ILE  41           HA       ILE  41  -0.009   1.806   4.201
  322    HB   ILE  41           HB       ILE  41   0.223   1.899   1.196
  323   1HG1  ILE  41          HG12      ILE  41  -0.691  -0.359   2.978
  324   2HG1  ILE  41          HG11      ILE  41  -1.319   0.147   1.419
  325   1HG2  ILE  41          HG21      ILE  41   1.971   0.099   2.638
  326   2HG2  ILE  41          HG22      ILE  41   2.043   1.711   3.340
  327   3HG2  ILE  41          HG23      ILE  41   2.392   1.479   1.628
  328   1HD1  ILE  41          HD11      ILE  41  -0.076  -1.462   0.468
  329   2HD1  ILE  41          HD12      ILE  41   0.744  -1.795   1.991
  330   3HD1  ILE  41          HD13      ILE  41   1.357  -0.538   0.917
  331    H    ILE  42           HN       ILE  42   0.929   3.751   4.847
  332    HA   ILE  42           HA       ILE  42   0.459   6.091   3.083
  333    HB   ILE  42           HB       ILE  42   1.816   6.295   5.745
  334   1HG1  ILE  42          HG12      ILE  42  -1.091   5.681   5.244
  335   2HG1  ILE  42          HG11      ILE  42  -0.010   4.998   6.461
  336   1HG2  ILE  42          HG21      ILE  42   0.993   8.089   3.797
  337   2HG2  ILE  42          HG22      ILE  42   1.347   8.504   5.470
  338   3HG2  ILE  42          HG23      ILE  42  -0.311   8.175   4.974
  339   1HD1  ILE  42          HD11      ILE  42  -1.513   6.579   7.534
  340   2HD1  ILE  42          HD12      ILE  42  -1.063   7.830   6.373
  341   3HD1  ILE  42          HD13      ILE  42   0.124   7.236   7.537
  342    H    ALA  43           HN       ALA  43   2.408   7.496   2.820
  343    HA   ALA  43           HA       ALA  43   5.014   6.283   3.222
  344   1HB   ALA  43          HB1       ALA  43   3.641   5.423   0.956
  345   2HB   ALA  43          HB2       ALA  43   5.384   5.331   1.202
  346   3HB   ALA  43          HB3       ALA  43   4.685   6.707   0.347
  347    H    ASP  44           HN       ASP  44   6.381   7.969   3.444
  348    HA   ASP  44           HA       ASP  44   5.533  10.536   2.211
  349   1HB   ASP  44          HB2       ASP  44   6.910  11.699   3.802
  350   2HB   ASP  44          HB1       ASP  44   5.921  10.566   4.711
  351    H    ASP  45           HN       ASP  45   7.824   7.969   2.319
  352    HA   ASP  45           HA       ASP  45   9.987   9.243   0.946
  353   1HB   ASP  45          HB2       ASP  45  10.483   7.178   1.833
  354   2HB   ASP  45          HB1       ASP  45   8.964   6.488   1.299
  355    HA   PRO  46           HA       PRO  46   8.001   9.891  -2.943
  356   1HB   PRO  46          HB2       PRO  46  10.267  10.338  -4.433
  357   2HB   PRO  46          HB1       PRO  46   9.574  11.533  -3.322
  358   1HG   PRO  46          HG2       PRO  46  12.010   9.849  -2.989
  359   2HG   PRO  46          HG1       PRO  46  11.622  11.415  -2.258
  360   1HD   PRO  46          HD2       PRO  46  11.436   8.892  -0.983
  361   2HD   PRO  46          HD1       PRO  46  10.758  10.414  -0.385
  362    H    ALA  47           HN       ALA  47  10.321   7.424  -2.390
  363    HA   ALA  47           HA       ALA  47   9.932   6.172  -5.042
  364   1HB   ALA  47          HB1       ALA  47  12.155   5.933  -4.275
  365   2HB   ALA  47          HB2       ALA  47  11.428   4.361  -3.944
  366   3HB   ALA  47          HB3       ALA  47  11.639   5.528  -2.638
  367    H    THR  48           HN       THR  48   8.200   6.236  -2.202
  368    HA   THR  48           HA       THR  48   7.439   3.387  -2.239
  369    HB   THR  48           HB       THR  48   5.729   4.282  -0.488
  370    HG1  THR  48           HG1      THR  48   7.457   6.357  -0.013
  371   1HG2  THR  48          HG21      THR  48   7.235   3.479   0.976
  372   2HG2  THR  48          HG22      THR  48   8.316   4.843   0.699
  373   3HG2  THR  48          HG23      THR  48   8.391   3.430  -0.353
  374    H    THR  49           HN       THR  49   6.031   6.534  -3.087
  375    HA   THR  49           HA       THR  49   3.413   5.640  -3.737
  376    HB   THR  49           HB       THR  49   3.103   7.691  -4.760
  377    HG1  THR  49           HG1      THR  49   4.963   8.652  -5.932
  378   1HG2  THR  49          HG21      THR  49   4.676   7.823  -2.589
  379   2HG2  THR  49          HG22      THR  49   4.164   9.260  -3.475
  380   3HG2  THR  49          HG23      THR  49   5.761   8.569  -3.762
  381    H    ARG  50           HN       ARG  50   6.450   5.446  -5.468
  382    HA   ARG  50           HA       ARG  50   5.057   4.327  -7.841
  383   1HB   ARG  50          HB2       ARG  50   7.883   5.201  -7.293
  384   2HB   ARG  50          HB1       ARG  50   7.462   4.302  -8.751
  385   1HG   ARG  50          HG2       ARG  50   6.904   6.288  -9.672
  386   2HG   ARG  50          HG1       ARG  50   5.506   6.285  -8.596
  387   1HD   ARG  50          HD2       ARG  50   6.436   8.272  -7.914
  388   2HD   ARG  50          HD1       ARG  50   7.358   7.191  -6.869
  389    HE   ARG  50           HE       ARG  50   9.267   7.488  -8.307
  390   1HH1  ARG  50          HH11      ARG  50   6.619   8.281 -10.207
  391   2HH1  ARG  50          HH12      ARG  50   7.348   9.658 -10.964
  392   1HH2  ARG  50          HH21      ARG  50  10.144   9.635  -8.912
  393   2HH2  ARG  50          HH22      ARG  50   9.345  10.425 -10.230
  394    H    ASP  51           HN       ASP  51   7.379   3.292  -5.377
  395    HA   ASP  51           HA       ASP  51   7.643   0.663  -6.654
  396   1HB   ASP  51          HB2       ASP  51   8.750   1.784  -4.068
  397   2HB   ASP  51          HB1       ASP  51   9.146   0.188  -4.714
  398    H    ILE  52           HN       ILE  52   6.294   1.828  -3.544
  399    HA   ILE  52           HA       ILE  52   5.598  -0.685  -2.509
  400    HB   ILE  52           HB       ILE  52   4.568   2.076  -2.120
  401   1HG1  ILE  52          HG12      ILE  52   5.686  -0.152  -0.420
  402   2HG1  ILE  52          HG11      ILE  52   6.418   1.410  -0.789
  403   1HG2  ILE  52          HG21      ILE  52   2.816   1.260  -0.550
  404   2HG2  ILE  52          HG22      ILE  52   3.112  -0.388  -1.106
  405   3HG2  ILE  52          HG23      ILE  52   2.462   0.815  -2.219
  406   1HD1  ILE  52          HD11      ILE  52   4.623   0.719   1.363
  407   2HD1  ILE  52          HD12      ILE  52   3.909   1.987   0.366
  408   3HD1  ILE  52          HD13      ILE  52   5.498   2.225   1.092
  409    HA   PRO  53           HA       PRO  53   1.461  -0.568  -4.778
  410   1HB   PRO  53          HB2       PRO  53   1.275   1.166  -6.899
  411   2HB   PRO  53          HB1       PRO  53   0.697   1.515  -5.259
  412   1HG   PRO  53          HG2       PRO  53   3.121   2.534  -6.668
  413   2HG   PRO  53          HG1       PRO  53   2.190   3.286  -5.361
  414   1HD   PRO  53          HD2       PRO  53   4.652   1.958  -5.061
  415   2HD   PRO  53          HD1       PRO  53   3.531   2.360  -3.741
  416    H    GLY  54           HN       GLY  54   4.064   0.471  -7.002
  417   1HA   GLY  54          HA2       GLY  54   3.486  -1.280  -9.115
  418   2HA   GLY  54          HA1       GLY  54   5.138  -0.812  -8.674
  419    H    PHE  55           HN       PHE  55   4.666  -1.957  -5.902
  420    HA   PHE  55           HA       PHE  55   5.550  -4.665  -6.555
  421   1HB   PHE  55          HB2       PHE  55   6.603  -3.988  -4.611
  422   2HB   PHE  55          HB1       PHE  55   5.221  -3.039  -4.066
  423    HD1  PHE  55           HD1      PHE  55   5.491  -6.624  -5.127
  424    HD2  PHE  55           HD2      PHE  55   4.570  -3.869  -1.969
  425    HE1  PHE  55           HE1      PHE  55   4.718  -8.502  -3.716
  426    HE2  PHE  55           HE2      PHE  55   3.809  -5.760  -0.568
  427    HZ   PHE  55           HZ       PHE  55   3.870  -8.067  -1.434
  428    H    CYS  56           HN       CYS  56   2.693  -3.300  -4.827
  429    HA   CYS  56           HA       CYS  56   1.367  -5.768  -4.444
  430   1HB   CYS  56          HB2       CYS  56   0.369  -2.957  -4.855
  431   2HB   CYS  56          HB1       CYS  56  -0.752  -4.298  -4.606
  432    HG   CYS  56           HG       CYS  56   0.716  -4.774  -2.337
  433    H    THR  57           HN       THR  57   1.417  -3.668  -7.298
  434    HA   THR  57           HA       THR  57  -0.569  -5.128  -8.769
  435    HB   THR  57           HB       THR  57   1.806  -3.618  -9.891
  436    HG1  THR  57           HG1      THR  57   0.516  -1.823  -9.751
  437   1HG2  THR  57          HG21      THR  57  -0.081  -3.167 -11.659
  438   2HG2  THR  57          HG22      THR  57  -0.812  -4.616 -10.967
  439   3HG2  THR  57          HG23      THR  57   0.793  -4.698 -11.692
  440    H    PHE  58           HN       PHE  58   2.882  -5.567  -8.293
  441    HA   PHE  58           HA       PHE  58   3.225  -7.551 -10.366
  442   1HB   PHE  58          HB2       PHE  58   4.969  -6.083  -8.997
  443   2HB   PHE  58          HB1       PHE  58   4.991  -7.506  -7.955
  444    HD1  PHE  58           HD1      PHE  58   6.453  -6.034 -10.788
  445    HD2  PHE  58           HD2      PHE  58   5.097  -9.825  -9.295
  446    HE1  PHE  58           HE1      PHE  58   7.931  -7.197 -12.403
  447    HE2  PHE  58           HE2      PHE  58   6.575 -10.990 -10.911
  448    HZ   PHE  58           HZ       PHE  58   7.992  -9.676 -12.465
  449    H    MET  59           HN       MET  59   2.244  -7.731  -6.969
  450    HA   MET  59           HA       MET  59   2.529 -10.662  -7.002
  451   1HB   MET  59          HB2       MET  59   2.011  -8.631  -4.943
  452   2HB   MET  59          HB1       MET  59   1.354 -10.234  -4.652
  453   1HG   MET  59          HG2       MET  59   4.242  -9.635  -5.346
  454   2HG   MET  59          HG1       MET  59   3.643 -10.001  -3.728
  455   1HE   MET  59          HE1       MET  59   5.024 -10.782  -6.690
  456   2HE   MET  59          HE2       MET  59   4.422 -12.294  -7.364
  457   3HE   MET  59          HE3       MET  59   5.734 -12.323  -6.189
  458    H    GLU  60           HN       GLU  60   0.294  -8.770  -8.352
  459    HA   GLU  60           HA       GLU  60  -1.817  -9.407  -9.216
  460   1HB   GLU  60          HB2       GLU  60  -0.861 -11.813  -8.213
  461   2HB   GLU  60          HB1       GLU  60  -2.402 -11.601  -7.379
  462   1HG   GLU  60          HG2       GLU  60  -2.679 -10.852 -10.154
  463   2HG   GLU  60          HG1       GLU  60  -2.007 -12.478 -10.035
  464    H    HIS  61           HN       HIS  61  -1.255  -7.754  -6.748
  465    HA   HIS  61           HA       HIS  61  -3.766  -8.104  -5.228
  466   1HB   HIS  61          HB2       HIS  61  -1.512  -6.115  -4.817
  467   2HB   HIS  61          HB1       HIS  61  -2.802  -6.503  -3.684
  468    HD1  HIS  61           HD1      HIS  61  -2.306  -9.647  -4.893
  469    HD2  HIS  61           HD2      HIS  61   0.156  -7.216  -2.569
  470    HE1  HIS  61           HE1      HIS  61  -0.662 -11.183  -3.751
  471    H    GLU  62           HN       GLU  62  -4.848  -5.813  -4.727
  472    HA   GLU  62           HA       GLU  62  -4.911  -4.336  -7.330
  473   1HB   GLU  62          HB2       GLU  62  -7.078  -5.369  -5.584
  474   2HB   GLU  62          HB1       GLU  62  -7.353  -3.828  -6.379
  475   1HG   GLU  62          HG2       GLU  62  -8.170  -5.481  -7.899
  476   2HG   GLU  62          HG1       GLU  62  -6.603  -4.987  -8.542
  477    H    LEU  63           HN       LEU  63  -5.058  -2.139  -7.249
  478    HA   LEU  63           HA       LEU  63  -4.382  -0.834  -4.680
  479   1HB   LEU  63          HB2       LEU  63  -3.105   0.087  -6.452
  480   2HB   LEU  63          HB1       LEU  63  -4.455   0.023  -7.579
  481    HG   LEU  63           HG       LEU  63  -5.549   1.758  -5.907
  482   1HD1  LEU  63          HD11      LEU  63  -3.204   3.156  -5.373
  483   2HD1  LEU  63          HD12      LEU  63  -2.806   1.493  -4.943
  484   3HD1  LEU  63          HD13      LEU  63  -4.186   2.293  -4.189
  485   1HD2  LEU  63          HD21      LEU  63  -5.126   3.258  -7.556
  486   2HD2  LEU  63          HD22      LEU  63  -4.281   1.924  -8.342
  487   3HD2  LEU  63          HD23      LEU  63  -3.379   3.092  -7.377
  488    H    VAL  64           HN       VAL  64  -6.299  -0.752  -3.444
  489    HA   VAL  64           HA       VAL  64  -8.839  -0.463  -4.709
  490    HB   VAL  64           HB       VAL  64  -7.880  -0.307  -1.852
  491   1HG1  VAL  64          HG11      VAL  64  -9.898   0.947  -1.903
  492   2HG1  VAL  64          HG12      VAL  64 -10.363  -0.682  -1.408
  493   3HG1  VAL  64          HG13      VAL  64 -10.627  -0.154  -3.069
  494   1HG2  VAL  64          HG21      VAL  64  -9.712  -2.422  -2.711
  495   2HG2  VAL  64          HG22      VAL  64  -8.180  -2.546  -1.849
  496   3HG2  VAL  64          HG23      VAL  64  -8.194  -2.428  -3.608
  497    H    ALA  65           HN       ALA  65  -6.873   1.890  -2.745
  498    HA   ALA  65           HA       ALA  65  -8.155   4.017  -4.396
  499   1HB   ALA  65          HB1       ALA  65  -8.904   3.444  -1.662
  500   2HB   ALA  65          HB2       ALA  65  -9.595   4.621  -2.778
  501   3HB   ALA  65          HB3       ALA  65  -8.209   5.061  -1.781
  502    H    LYS  66           HN       LYS  66  -6.582   5.606  -4.892
  503    HA   LYS  66           HA       LYS  66  -4.063   5.390  -3.373
  504   1HB   LYS  66          HB2       LYS  66  -4.394   7.173  -5.726
  505   2HB   LYS  66          HB1       LYS  66  -2.991   6.225  -5.230
  506   1HG   LYS  66          HG2       LYS  66  -3.708   4.906  -6.912
  507   2HG   LYS  66          HG1       LYS  66  -4.723   4.235  -5.663
  508   1HD   LYS  66          HD2       LYS  66  -6.446   4.711  -7.063
  509   2HD   LYS  66          HD1       LYS  66  -6.207   6.381  -6.547
  510   1HE   LYS  66          HE2       LYS  66  -4.284   5.751  -8.586
  511   2HE   LYS  66          HE1       LYS  66  -5.896   5.320  -9.161
  512   1HZ   LYS  66          HZ1       LYS  66  -5.970   7.793  -7.793
  513   2HZ   LYS  66          HZ2       LYS  66  -6.390   7.450  -9.403
  514   3HZ   LYS  66          HZ3       LYS  66  -4.787   7.850  -9.007
  515    H    GLU  67           HN       GLU  67  -2.928   7.365  -2.867
  516    HA   GLU  67           HA       GLU  67  -4.641   9.735  -2.415
  517   1HB   GLU  67          HB2       GLU  67  -3.298   8.058  -0.409
  518   2HB   GLU  67          HB1       GLU  67  -3.254   9.775  -0.149
  519   1HG   GLU  67          HG2       GLU  67  -5.809   8.288  -0.756
  520   2HG   GLU  67          HG1       GLU  67  -5.239   8.557   0.891
  521    H    THR  68           HN       THR  68  -3.578  11.280  -3.549
  522    HA   THR  68           HA       THR  68  -0.650  11.622  -3.072
  523    HB   THR  68           HB       THR  68  -0.134  11.751  -5.363
  524    HG1  THR  68           HG1      THR  68  -1.517  12.446  -6.806
  525   1HG2  THR  68          HG21      THR  68  -2.316   9.670  -5.061
  526   2HG2  THR  68          HG22      THR  68  -0.589   9.437  -4.794
  527   3HG2  THR  68          HG23      THR  68  -1.197   9.740  -6.422
  528    H    ASP  69           HN       ASP  69  -3.108  12.919  -2.088
  529    HA   ASP  69           HA       ASP  69  -3.311  15.477  -3.486
  530   1HB   ASP  69          HB2       ASP  69  -4.310  14.712  -0.740
  531   2HB   ASP  69          HB1       ASP  69  -4.844  16.097  -1.693
  532    H    GLY  70           HN       GLY  70  -0.891  14.294  -1.772
  533   1HA   GLY  70          HA2       GLY  70   0.889  16.097  -1.447
  534   2HA   GLY  70          HA1       GLY  70  -0.268  16.776  -0.334
  535    H    LEU  71           HN       LEU  71   2.378  15.170  -0.364
  536    HA   LEU  71           HA       LEU  71   2.412  12.842   0.990
  537   1HB   LEU  71          HB2       LEU  71   4.048  15.267   1.757
  538   2HB   LEU  71          HB1       LEU  71   4.401  13.622   2.244
  539    HG   LEU  71           HG       LEU  71   3.995  14.089  -0.635
  540   1HD1  LEU  71          HD11      LEU  71   6.398  15.027   0.937
  541   2HD1  LEU  71          HD12      LEU  71   5.428  15.960  -0.205
  542   3HD1  LEU  71          HD13      LEU  71   6.478  14.668  -0.788
  543   1HD2  LEU  71          HD21      LEU  71   4.450  11.855   0.030
  544   2HD2  LEU  71          HD22      LEU  71   5.727  12.369   1.133
  545   3HD2  LEU  71          HD23      LEU  71   5.979  12.459  -0.609
  546    HA   PRO  72           HA       PRO  72   3.293  11.807   2.432
  547   1HB   PRO  72          HB2       PRO  72   2.309   9.765   3.948
  548   2HB   PRO  72          HB1       PRO  72   3.516  10.912   4.563
  549   1HG   PRO  72          HG2       PRO  72   0.598  10.763   5.127
  550   2HG   PRO  72          HG1       PRO  72   1.902  11.340   6.182
  551   1HD   PRO  72          HD2       PRO  72   0.123  12.981   4.727
  552   2HD   PRO  72          HD1       PRO  72   1.673  13.511   5.421
  553    H    TYR  73           HN       TYR  73   2.770  10.202   0.918
  554    HA   TYR  73           HA       TYR  73   0.175  10.257  -0.304
  555   1HB   TYR  73          HB2       TYR  73   2.111   8.051  -0.718
  556   2HB   TYR  73          HB1       TYR  73   1.012   8.773  -1.884
  557    HD1  TYR  73           HD1      TYR  73   4.249   8.712  -0.523
  558    HD2  TYR  73           HD2      TYR  73   1.478  11.227  -2.577
  559    HE1  TYR  73           HE1      TYR  73   6.141  10.082  -1.332
  560    HE2  TYR  73           HE2      TYR  73   3.334  12.657  -3.365
  561    HH   TYR  73           HH       TYR  73   6.492  11.711  -3.381
  562    H    ARG  74           HN       ARG  74  -1.220   8.289  -0.581
  563    HA   ARG  74           HA       ARG  74  -0.702   6.148   1.332
  564   1HB   ARG  74          HB2       ARG  74  -3.048   8.007   1.488
  565   2HB   ARG  74          HB1       ARG  74  -3.218   6.312   1.964
  566   1HG   ARG  74          HG2       ARG  74  -1.835   6.505   3.741
  567   2HG   ARG  74          HG1       ARG  74  -0.860   7.745   2.992
  568   1HD   ARG  74          HD2       ARG  74  -2.023   9.359   4.054
  569   2HD   ARG  74          HD1       ARG  74  -3.527   8.748   3.368
  570    HE   ARG  74           HE       ARG  74  -2.689   7.099   5.576
  571   1HH1  ARG  74          HH21      ARG  74  -2.406   9.805   6.781
  572   2HH1  ARG  74          HH22      ARG  74  -4.007  10.128   7.359
  573   1HH2  ARG  74          HH11      ARG  74  -5.486   7.648   5.438
  574   2HH2  ARG  74          HH12      ARG  74  -5.751   8.907   6.598
  575    H    TYR  75           HN       TYR  75  -1.877   4.266   0.777
  576    HA   TYR  75           HA       TYR  75  -3.402   4.358  -1.710
  577   1HB   TYR  75          HB2       TYR  75  -1.199   2.394  -1.703
  578   2HB   TYR  75          HB1       TYR  75  -1.984   3.203  -3.060
  579    HD1  TYR  75           HD1      TYR  75  -1.503   5.766  -3.323
  580    HD2  TYR  75           HD2      TYR  75   0.767   3.126  -0.891
  581    HE1  TYR  75           HE1      TYR  75   0.410   7.340  -3.444
  582    HE2  TYR  75           HE2      TYR  75   2.711   4.683  -0.976
  583    HH   TYR  75           HH       TYR  75   3.495   6.583  -1.810
  584    H    LEU  76           HN       LEU  76  -5.085   2.947  -1.356
  585    HA   LEU  76           HA       LEU  76  -4.714   0.982   0.709
  586   1HB   LEU  76          HB2       LEU  76  -6.895   2.098   0.603
  587   2HB   LEU  76          HB1       LEU  76  -7.126   1.508  -1.025
  588    HG   LEU  76           HG       LEU  76  -6.739  -0.823  -0.067
  589   1HD1  LEU  76          HD11      LEU  76  -6.704  -1.164   2.201
  590   2HD1  LEU  76          HD12      LEU  76  -7.662   0.278   2.538
  591   3HD1  LEU  76          HD13      LEU  76  -5.947   0.427   2.154
  592   1HD2  LEU  76          HD21      LEU  76  -9.185  -0.061   1.201
  593   2HD2  LEU  76          HD22      LEU  76  -8.930  -0.939  -0.307
  594   3HD2  LEU  76          HD23      LEU  76  -8.982   0.825  -0.308
  595    H    ILE  77           HN       ILE  77  -4.869  -1.358   0.121
  596    HA   ILE  77           HA       ILE  77  -4.984  -1.861  -2.773
  597    HB   ILE  77           HB       ILE  77  -2.792  -2.954  -1.009
  598   1HG1  ILE  77          HG12      ILE  77  -2.944  -0.509  -2.765
  599   2HG1  ILE  77          HG11      ILE  77  -2.364  -0.631  -1.110
  600   1HG2  ILE  77          HG21      ILE  77  -3.643  -4.078  -3.239
  601   2HG2  ILE  77          HG22      ILE  77  -1.912  -3.903  -2.963
  602   3HG2  ILE  77          HG23      ILE  77  -2.756  -2.764  -4.011
  603   1HD1  ILE  77          HD11      ILE  77  -0.569  -0.392  -2.917
  604   2HD1  ILE  77          HD12      ILE  77  -0.976  -2.036  -3.401
  605   3HD1  ILE  77          HD13      ILE  77  -0.358  -1.722  -1.780
  606    H    ARG  78           HN       ARG  78  -6.701  -3.247  -2.871
  607    HA   ARG  78           HA       ARG  78  -7.374  -4.990  -0.656
  608   1HB   ARG  78          HB2       ARG  78  -9.184  -4.341  -2.048
  609   2HB   ARG  78          HB1       ARG  78  -8.314  -4.778  -3.518
  610   1HG   ARG  78          HG2       ARG  78  -8.849  -6.989  -3.334
  611   2HG   ARG  78          HG1       ARG  78  -8.706  -6.981  -1.576
  612   1HD   ARG  78          HD2       ARG  78 -11.027  -7.311  -2.030
  613   2HD   ARG  78          HD1       ARG  78 -10.872  -5.622  -1.546
  614    HE   ARG  78           HE       ARG  78 -10.664  -5.992  -4.430
  615   1HH1  ARG  78          HH21      ARG  78 -11.861  -3.554  -3.359
  616   2HH1  ARG  78          HH22      ARG  78 -13.562  -3.815  -3.557
  617   1HH2  ARG  78          HH11      ARG  78 -13.253  -7.242  -3.988
  618   2HH2  ARG  78          HH12      ARG  78 -14.350  -5.903  -3.914
  619    H    LYS  79           HN       LYS  79  -6.039  -6.658  -0.123
  620    HA   LYS  79           HA       LYS  79  -4.127  -7.923  -1.794
  621   1HB   LYS  79          HB2       LYS  79  -4.058  -8.246   0.605
  622   2HB   LYS  79          HB1       LYS  79  -5.648  -9.007   0.596
  623   1HG   LYS  79          HG2       LYS  79  -3.949 -10.745   0.699
  624   2HG   LYS  79          HG1       LYS  79  -4.720 -10.799  -0.887
  625   1HD   LYS  79          HD2       LYS  79  -2.183 -10.938  -0.923
  626   2HD   LYS  79          HD1       LYS  79  -2.875  -9.653  -1.914
  627   1HE   LYS  79          HE2       LYS  79  -2.296  -8.920   0.898
  628   2HE   LYS  79          HE1       LYS  79  -0.885  -9.240  -0.110
  629   1HZ   LYS  79          HZ1       LYS  79  -2.262  -7.745  -1.773
  630   2HZ   LYS  79          HZ2       LYS  79  -1.212  -7.073  -0.618
  631   3HZ   LYS  79          HZ3       LYS  79  -2.884  -7.124  -0.323
  632    H    GLY  80           HN       GLY  80  -4.342  -9.442  -3.379
  633   1HA   GLY  80          HA2       GLY  80  -6.782 -11.099  -3.509
  634   2HA   GLY  80          HA1       GLY  80  -6.507 -10.008  -4.869
  635    H    GLY  81           HN       GLY  81  -6.466 -12.305  -5.902
  636   1HA   GLY  81          HA2       GLY  81  -5.139 -13.816  -7.119
  637   2HA   GLY  81          HA1       GLY  81  -3.727 -12.892  -6.600
  Start of MODEL   16
    1   1H    MET   1          HT1       MET   1 -18.933  11.236  -2.486
    2   2H    MET   1          HT2       MET   1 -19.626   9.689  -2.599
    3   3H    MET   1          HT3       MET   1 -17.952   9.858  -2.369
    4    HA   MET   1           HA       MET   1 -18.515  11.036  -0.213
    5   1HB   MET   1          HB2       MET   1 -21.146   9.654  -0.827
    6   2HB   MET   1          HB1       MET   1 -20.722  10.391   0.718
    7   1HG   MET   1          HG2       MET   1 -20.514  12.580  -0.336
    8   2HG   MET   1          HG1       MET   1 -20.802  11.874  -1.926
    9   1HE   MET   1          HE1       MET   1 -23.740  13.980  -1.545
   10   2HE   MET   1          HE2       MET   1 -23.589  12.720  -2.766
   11   3HE   MET   1          HE3       MET   1 -22.160  13.609  -2.247
   12    H    THR   2           HN       THR   2 -18.689   8.034  -1.890
   13    HA   THR   2           HA       THR   2 -18.625   6.283   0.410
   14    HB   THR   2           HB       THR   2 -19.273   5.351  -1.718
   15    HG1  THR   2           HG1      THR   2 -17.294   3.872  -1.978
   16   1HG2  THR   2          HG21      THR   2 -17.406   5.222  -3.521
   17   2HG2  THR   2          HG22      THR   2 -16.671   6.556  -2.633
   18   3HG2  THR   2          HG23      THR   2 -18.279   6.741  -3.331
   19    H    ASP   3           HN       ASP   3 -16.859   5.557   1.576
   20    HA   ASP   3           HA       ASP   3 -14.253   6.857   0.932
   21   1HB   ASP   3          HB2       ASP   3 -15.669   6.178   3.418
   22   2HB   ASP   3          HB1       ASP   3 -13.965   5.725   3.429
   23    H    LEU   4           HN       LEU   4 -12.902   5.530  -0.180
   24    HA   LEU   4           HA       LEU   4 -13.197   2.617  -0.035
   25   1HB   LEU   4          HB2       LEU   4 -11.007   4.207  -1.399
   26   2HB   LEU   4          HB1       LEU   4 -11.493   2.546  -1.740
   27    HG   LEU   4           HG       LEU   4 -13.112   5.059  -2.223
   28   1HD1  LEU   4          HD11      LEU   4 -11.236   3.890  -3.812
   29   2HD1  LEU   4          HD12      LEU   4 -12.633   4.766  -4.438
   30   3HD1  LEU   4          HD13      LEU   4 -12.677   3.008  -4.316
   31   1HD2  LEU   4          HD21      LEU   4 -14.640   3.388  -1.388
   32   2HD2  LEU   4          HD22      LEU   4 -13.887   2.132  -2.371
   33   3HD2  LEU   4          HD23      LEU   4 -14.813   3.420  -3.143
   34    H    PHE   5           HN       PHE   5 -11.225   5.078   1.432
   35    HA   PHE   5           HA       PHE   5  -9.205   3.157   2.366
   36   1HB   PHE   5          HB2       PHE   5  -9.596   6.111   2.516
   37   2HB   PHE   5          HB1       PHE   5  -8.626   5.354   3.779
   38    HD1  PHE   5           HD1      PHE   5  -6.669   6.650   2.861
   39    HD2  PHE   5           HD2      PHE   5  -8.711   3.660   0.567
   40    HE1  PHE   5           HE1      PHE   5  -4.757   6.490   1.302
   41    HE2  PHE   5           HE2      PHE   5  -6.764   3.527  -0.960
   42    HZ   PHE   5           HZ       PHE   5  -4.792   4.993  -0.618
   43    H    SER   6           HN       SER   6 -12.231   3.249   3.177
   44    HA   SER   6           HA       SER   6 -12.597   3.911   5.849
   45   1HB   SER   6          HB2       SER   6 -14.468   3.001   4.731
   46   2HB   SER   6          HB1       SER   6 -13.585   1.562   4.234
   47    HG   SER   6           HG       SER   6 -13.945   0.692   6.129
   48    H    SER   7           HN       SER   7 -12.727   2.152   7.695
   49    HA   SER   7           HA       SER   7 -10.169   1.465   8.526
   50   1HB   SER   7          HB2       SER   7 -12.815   0.870   9.358
   51   2HB   SER   7          HB1       SER   7 -11.861  -0.602   9.436
   52    HG   SER   7           HG       SER   7 -11.803   1.551  11.036
   53    HA   PRO   8           HA       PRO   8  -9.457  -1.682   5.368
   54   1HB   PRO   8          HB2       PRO   8  -6.722  -1.574   5.588
   55   2HB   PRO   8          HB1       PRO   8  -7.671  -0.456   4.599
   56   1HG   PRO   8          HG2       PRO   8  -6.366   0.023   7.241
   57   2HG   PRO   8          HG1       PRO   8  -6.727   1.173   5.942
   58   1HD   PRO   8          HD2       PRO   8  -8.218   0.862   8.315
   59   2HD   PRO   8          HD1       PRO   8  -8.759   1.714   6.856
   60    H    ASP   9           HN       ASP   9  -8.250  -3.813   5.496
   61    HA   ASP   9           HA       ASP   9  -8.636  -5.006   8.135
   62   1HB   ASP   9          HB2       ASP   9  -7.556  -6.125   5.529
   63   2HB   ASP   9          HB1       ASP   9  -7.806  -7.086   6.988
   64    H    HIS  10           HN       HIS  10  -5.986  -3.681   6.320
   65    HA   HIS  10           HA       HIS  10  -4.186  -4.228   8.613
   66   1HB   HIS  10          HB2       HIS  10  -3.799  -5.150   5.775
   67   2HB   HIS  10          HB1       HIS  10  -2.406  -4.779   6.785
   68    HD1  HIS  10           HD1      HIS  10  -1.593  -6.697   8.163
   69    HD2  HIS  10           HD2      HIS  10  -5.641  -7.069   7.236
   70    HE1  HIS  10           HE1      HIS  10  -2.347  -8.911   9.135
   71    H    THR  11           HN       THR  11  -2.019  -2.954   8.168
   72    HA   THR  11           HA       THR  11  -2.457  -0.584   6.444
   73    HB   THR  11           HB       THR  11  -1.734  -0.384   9.368
   74    HG1  THR  11           HG1      THR  11  -4.129   0.282   8.007
   75   1HG2  THR  11          HG21      THR  11  -0.759   1.372   7.931
   76   2HG2  THR  11          HG22      THR  11  -1.997   2.039   8.996
   77   3HG2  THR  11          HG23      THR  11  -2.364   1.738   7.298
   78    H    LEU  12           HN       LEU  12  -0.414   0.666   6.200
   79    HA   LEU  12           HA       LEU  12   2.048  -0.765   7.047
   80   1HB   LEU  12          HB2       LEU  12   1.795  -1.718   4.878
   81   2HB   LEU  12          HB1       LEU  12   1.263  -0.188   4.193
   82    HG   LEU  12           HG       LEU  12   3.471   0.760   4.270
   83   1HD1  LEU  12          HD11      LEU  12   3.933  -1.423   6.297
   84   2HD1  LEU  12          HD12      LEU  12   4.281   0.300   6.417
   85   3HD1  LEU  12          HD13      LEU  12   5.303  -0.737   5.425
   86   1HD2  LEU  12          HD21      LEU  12   3.458  -2.156   3.506
   87   2HD2  LEU  12          HD22      LEU  12   4.938  -1.205   3.394
   88   3HD2  LEU  12          HD23      LEU  12   3.521  -0.734   2.470
   89    H    ASP  13           HN       ASP  13   3.003   0.899   8.171
   90    HA   ASP  13           HA       ASP  13   2.731   3.676   7.310
   91   1HB   ASP  13          HB2       ASP  13   3.176   2.858   9.714
   92   2HB   ASP  13          HB1       ASP  13   4.839   2.583   9.195
   93    H    ALA  14           HN       ALA  14   4.153   4.758   5.897
   94    HA   ALA  14           HA       ALA  14   6.700   3.373   5.280
   95   1HB   ALA  14          HB1       ALA  14   4.713   2.878   3.621
   96   2HB   ALA  14          HB2       ALA  14   6.354   3.137   3.033
   97   3HB   ALA  14          HB3       ALA  14   5.175   4.448   2.964
   98    H    LEU  15           HN       LEU  15   5.483   5.759   6.596
   99    HA   LEU  15           HA       LEU  15   6.596   8.085   5.289
  100   1HB   LEU  15          HB2       LEU  15   5.820   7.762   8.186
  101   2HB   LEU  15          HB1       LEU  15   5.874   9.215   7.212
  102    HG   LEU  15           HG       LEU  15   4.077   6.974   6.405
  103   1HD1  LEU  15          HD11      LEU  15   2.524   7.425   8.000
  104   2HD1  LEU  15          HD12      LEU  15   2.822   9.162   7.919
  105   3HD1  LEU  15          HD13      LEU  15   3.865   8.133   8.900
  106   1HD2  LEU  15          HD21      LEU  15   4.527   9.840   5.788
  107   2HD2  LEU  15          HD22      LEU  15   2.848   9.304   5.809
  108   3HD2  LEU  15          HD23      LEU  15   4.008   8.530   4.728
  109    H    GLY  16           HN       GLY  16   8.744   8.024   5.117
  110   1HA   GLY  16          HA2       GLY  16  10.948   8.340   6.092
  111   2HA   GLY  16          HA1       GLY  16  10.368   7.538   7.560
  112    H    LEU  17           HN       LEU  17   9.025   5.741   5.250
  113    HA   LEU  17           HA       LEU  17  11.136   3.691   5.317
  114   1HB   LEU  17          HB2       LEU  17   8.281   3.681   4.288
  115   2HB   LEU  17          HB1       LEU  17   9.372   2.306   4.169
  116    HG   LEU  17           HG       LEU  17   7.999   3.444   6.552
  117   1HD1  LEU  17          HD11      LEU  17   7.630   1.120   6.995
  118   2HD1  LEU  17          HD12      LEU  17   8.937   0.639   5.913
  119   3HD1  LEU  17          HD13      LEU  17   7.443   1.303   5.251
  120   1HD2  LEU  17          HD21      LEU  17   9.728   2.117   7.928
  121   2HD2  LEU  17          HD22      LEU  17  10.189   3.724   7.365
  122   3HD2  LEU  17          HD23      LEU  17  10.776   2.290   6.521
  123    H    ARG  18           HN       ARG  18  12.026   2.909   3.353
  124    HA   ARG  18           HA       ARG  18  11.134   4.359   0.936
  125   1HB   ARG  18          HB2       ARG  18  13.633   4.738   0.392
  126   2HB   ARG  18          HB1       ARG  18  12.817   5.802   1.540
  127   1HG   ARG  18          HG2       ARG  18  14.862   5.243   2.614
  128   2HG   ARG  18          HG1       ARG  18  13.661   4.195   3.369
  129   1HD   ARG  18          HD2       ARG  18  14.696   2.342   2.614
  130   2HD   ARG  18          HD1       ARG  18  14.748   2.974   0.969
  131    HE   ARG  18           HE       ARG  18  16.924   3.897   1.431
  132   1HH1  ARG  18          HH21      ARG  18  16.167   1.302   3.338
  133   2HH1  ARG  18          HH22      ARG  18  17.295   1.649   4.606
  134   1HH2  ARG  18          HH11      ARG  18  18.080   4.806   3.403
  135   2HH2  ARG  18          HH12      ARG  18  18.377   3.634   4.643
  136    H    CYS  19           HN       CYS  19  11.594   3.259  -0.973
  137    HA   CYS  19           HA       CYS  19  11.468   0.474  -0.932
  138   1HB   CYS  19          HB2       CYS  19  11.059   1.584  -2.986
  139   2HB   CYS  19          HB1       CYS  19  12.661   2.317  -3.006
  140    HG   CYS  19           HG       CYS  19  13.631   0.199  -3.910
  141    HA   PRO  20           HA       PRO  20  11.905  -1.287  -1.641
  142   1HB   PRO  20          HB2       PRO  20  12.792  -3.707  -0.736
  143   2HB   PRO  20          HB1       PRO  20  13.321  -3.006  -2.275
  144   1HG   PRO  20          HG2       PRO  20  14.823  -3.263   0.279
  145   2HG   PRO  20          HG1       PRO  20  15.442  -3.128  -1.371
  146   1HD   PRO  20          HD2       PRO  20  15.297  -1.052   0.584
  147   2HD   PRO  20          HD1       PRO  20  15.755  -0.880  -1.125
  148    H    GLU  21           HN       GLU  21  12.971  -0.408   1.377
  149    HA   GLU  21           HA       GLU  21  11.929  -2.189   3.227
  150   1HB   GLU  21          HB2       GLU  21  12.227   0.755   3.307
  151   2HB   GLU  21          HB1       GLU  21  11.519  -0.087   4.675
  152   1HG   GLU  21          HG2       GLU  21  14.175  -0.867   3.447
  153   2HG   GLU  21          HG1       GLU  21  14.036   0.251   4.806
  154    HA   PRO  22           HA       PRO  22   7.666  -0.107   3.243
  155   1HB   PRO  22          HB2       PRO  22   7.018   1.239   0.932
  156   2HB   PRO  22          HB1       PRO  22   7.672   2.015   2.369
  157   1HG   PRO  22          HG2       PRO  22   9.035   1.373  -0.200
  158   2HG   PRO  22          HG1       PRO  22   9.374   2.676   0.955
  159   1HD   PRO  22          HD2       PRO  22  10.850   0.320   0.729
  160   2HD   PRO  22          HD1       PRO  22  10.866   1.378   2.145
  161    H    VAL  23           HN       VAL  23   8.435  -0.546  -0.190
  162    HA   VAL  23           HA       VAL  23   6.333  -2.238  -0.937
  163    HB   VAL  23           HB       VAL  23   9.262  -2.292  -1.691
  164   1HG1  VAL  23          HG11      VAL  23   6.958  -3.989  -2.630
  165   2HG1  VAL  23          HG12      VAL  23   8.609  -4.476  -2.250
  166   3HG1  VAL  23          HG13      VAL  23   8.271  -3.596  -3.739
  167   1HG2  VAL  23          HG21      VAL  23   8.651  -0.958  -3.513
  168   2HG2  VAL  23          HG22      VAL  23   7.554  -0.364  -2.265
  169   3HG2  VAL  23          HG23      VAL  23   6.976  -1.507  -3.476
  170    H    MET  24           HN       MET  24   9.113  -2.848   1.113
  171    HA   MET  24           HA       MET  24   8.901  -5.751   1.047
  172   1HB   MET  24          HB2       MET  24  10.390  -3.736   2.685
  173   2HB   MET  24          HB1       MET  24  10.246  -5.381   3.304
  174   1HG   MET  24          HG2       MET  24  10.896  -5.628   0.564
  175   2HG   MET  24          HG1       MET  24  11.966  -4.385   1.210
  176   1HE   MET  24          HE1       MET  24  12.132  -8.827   1.714
  177   2HE   MET  24          HE2       MET  24  11.997  -7.806   0.285
  178   3HE   MET  24          HE3       MET  24  10.633  -7.944   1.391
  179    H    MET  25           HN       MET  25   7.778  -3.224   3.294
  180    HA   MET  25           HA       MET  25   6.662  -4.999   5.224
  181   1HB   MET  25          HB2       MET  25   6.086  -2.139   4.460
  182   2HB   MET  25          HB1       MET  25   5.139  -2.956   5.705
  183   1HG   MET  25          HG2       MET  25   7.787  -3.572   6.341
  184   2HG   MET  25          HG1       MET  25   7.843  -1.878   5.852
  185   1HE   MET  25          HE1       MET  25   8.657  -1.203   7.658
  186   2HE   MET  25          HE2       MET  25   8.319  -1.796   9.282
  187   3HE   MET  25          HE3       MET  25   7.595  -0.287   8.733
  188    H    VAL  26           HN       VAL  26   5.269  -3.535   2.278
  189    HA   VAL  26           HA       VAL  26   2.625  -4.596   2.671
  190    HB   VAL  26           HB       VAL  26   4.130  -3.925   0.127
  191   1HG1  VAL  26          HG11      VAL  26   2.379  -4.688  -1.090
  192   2HG1  VAL  26          HG12      VAL  26   1.224  -3.868  -0.042
  193   3HG1  VAL  26          HG13      VAL  26   1.801  -5.478   0.376
  194   1HG2  VAL  26          HG21      VAL  26   2.375  -2.446   2.030
  195   2HG2  VAL  26          HG22      VAL  26   2.183  -2.096   0.311
  196   3HG2  VAL  26          HG23      VAL  26   3.750  -1.871   1.084
  197    H    ARG  27           HN       ARG  27   5.610  -5.972   1.449
  198    HA   ARG  27           HA       ARG  27   4.462  -8.285   0.185
  199   1HB   ARG  27          HB2       ARG  27   7.100  -7.324   0.770
  200   2HB   ARG  27          HB1       ARG  27   6.966  -8.999   1.321
  201   1HG   ARG  27          HG2       ARG  27   5.673  -8.747  -1.230
  202   2HG   ARG  27          HG1       ARG  27   7.306  -8.090  -1.344
  203   1HD   ARG  27          HD2       ARG  27   7.940 -10.253   0.012
  204   2HD   ARG  27          HD1       ARG  27   6.416 -10.861  -0.634
  205    HE   ARG  27           HE       ARG  27   8.254  -9.688  -2.616
  206   1HH1  ARG  27          HH21      ARG  27   9.224 -12.252  -1.102
  207   2HH1  ARG  27          HH22      ARG  27   8.775 -13.460  -2.260
  208   1HH2  ARG  27          HH11      ARG  27   6.721 -11.338  -4.076
  209   2HH2  ARG  27          HH12      ARG  27   7.361 -12.942  -3.944
  210    H    LYS  28           HN       LYS  28   6.008  -7.948   3.346
  211    HA   LYS  28           HA       LYS  28   5.372 -10.534   4.333
  212   1HB   LYS  28          HB2       LYS  28   5.666  -7.934   5.878
  213   2HB   LYS  28          HB1       LYS  28   5.698  -9.548   6.589
  214   1HG   LYS  28          HG2       LYS  28   7.776 -10.049   5.708
  215   2HG   LYS  28          HG1       LYS  28   7.561  -8.979   4.322
  216   1HD   LYS  28          HD2       LYS  28   9.237  -8.164   6.042
  217   2HD   LYS  28          HD1       LYS  28   7.945  -7.024   5.667
  218   1HE   LYS  28          HE2       LYS  28   6.972  -7.234   7.731
  219   2HE   LYS  28          HE1       LYS  28   7.408  -8.937   7.877
  220   1HZ   LYS  28          HZ1       LYS  28   9.805  -7.673   7.864
  221   2HZ   LYS  28          HZ2       LYS  28   8.988  -8.222   9.250
  222   3HZ   LYS  28          HZ3       LYS  28   8.832  -6.604   8.752
  223    H    THR  29           HN       THR  29   3.634  -7.487   4.463
  224    HA   THR  29           HA       THR  29   1.365  -8.360   5.980
  225    HB   THR  29           HB       THR  29   2.119  -6.146   4.157
  226    HG1  THR  29           HG1      THR  29   1.254  -4.971   5.990
  227   1HG2  THR  29          HG21      THR  29  -0.076  -5.188   4.005
  228   2HG2  THR  29          HG22      THR  29  -0.764  -6.482   4.986
  229   3HG2  THR  29          HG23      THR  29  -0.162  -6.826   3.365
  230    H    VAL  30           HN       VAL  30   2.317  -8.445   2.644
  231    HA   VAL  30           HA       VAL  30  -0.194  -9.364   1.540
  232    HB   VAL  30           HB       VAL  30   2.684  -9.314   0.625
  233   1HG1  VAL  30          HG11      VAL  30   0.335 -10.451  -0.882
  234   2HG1  VAL  30          HG12      VAL  30   1.700 -11.371  -0.247
  235   3HG1  VAL  30          HG13      VAL  30   1.951 -10.195  -1.538
  236   1HG2  VAL  30          HG21      VAL  30   0.893  -7.333   0.594
  237   2HG2  VAL  30          HG22      VAL  30   0.401  -8.136  -0.895
  238   3HG2  VAL  30          HG23      VAL  30   2.052  -7.544  -0.719
  239    H    ARG  31           HN       ARG  31   2.559 -10.737   3.112
  240    HA   ARG  31           HA       ARG  31   2.037 -13.515   2.408
  241   1HB   ARG  31          HB2       ARG  31   3.683 -12.305   4.655
  242   2HB   ARG  31          HB1       ARG  31   3.710 -14.001   4.176
  243   1HG   ARG  31          HG2       ARG  31   4.451 -13.257   1.876
  244   2HG   ARG  31          HG1       ARG  31   4.604 -11.628   2.520
  245   1HD   ARG  31          HD2       ARG  31   6.780 -12.578   2.681
  246   2HD   ARG  31          HD1       ARG  31   6.120 -12.610   4.316
  247    HE   ARG  31           HE       ARG  31   5.712 -15.023   4.026
  248   1HH1  ARG  31          HH11      ARG  31   8.333 -13.588   2.497
  249   2HH1  ARG  31          HH12      ARG  31   8.710 -14.942   1.485
  250   1HH2  ARG  31          HH21      ARG  31   5.850 -16.711   2.330
  251   2HH2  ARG  31          HH22      ARG  31   7.305 -16.710   1.390
  252    H    ASN  32           HN       ASN  32   1.122 -11.238   4.928
  253    HA   ASN  32           HA       ASN  32  -0.280 -13.450   6.369
  254   1HB   ASN  32          HB2       ASN  32  -0.443 -11.925   8.258
  255   2HB   ASN  32          HB1       ASN  32   1.228 -11.972   7.700
  256   1HD2  ASN  32          HD21      ASN  32   1.636  -9.799   8.554
  257   2HD2  ASN  32          HD22      ASN  32   0.999  -8.423   7.792
  258    H    MET  33           HN       MET  33  -0.937 -11.358   3.946
  259    HA   MET  33           HA       MET  33  -3.591 -10.510   4.908
  260   1HB   MET  33          HB2       MET  33  -1.902  -9.931   2.519
  261   2HB   MET  33          HB1       MET  33  -3.650  -9.807   2.321
  262   1HG   MET  33          HG2       MET  33  -3.426  -8.477   4.631
  263   2HG   MET  33          HG1       MET  33  -1.813  -8.164   4.003
  264   1HE   MET  33          HE1       MET  33  -5.202  -8.853   2.668
  265   2HE   MET  33          HE2       MET  33  -5.670  -7.486   1.665
  266   3HE   MET  33          HE3       MET  33  -5.755  -7.350   3.418
  267    H    GLN  34           HN       GLN  34  -5.453 -10.924   3.354
  268    HA   GLN  34           HA       GLN  34  -5.318 -13.680   2.210
  269   1HB   GLN  34          HB2       GLN  34  -7.582 -12.482   3.845
  270   2HB   GLN  34          HB1       GLN  34  -7.617 -14.060   3.057
  271   1HG   GLN  34          HG2       GLN  34  -6.299 -15.025   4.641
  272   2HG   GLN  34          HG1       GLN  34  -5.268 -13.601   4.786
  273   1HE2  GLN  34          HE21      GLN  34  -5.364 -13.067   6.992
  274   2HE2  GLN  34          HE22      GLN  34  -6.804 -12.856   7.864
  275    HA   PRO  35           HA       PRO  35  -7.057 -11.785  -1.308
  276   1HB   PRO  35          HB2       PRO  35  -8.557 -13.872  -2.319
  277   2HB   PRO  35          HB1       PRO  35  -6.796 -13.749  -2.467
  278   1HG   PRO  35          HG2       PRO  35  -8.414 -15.467  -0.626
  279   2HG   PRO  35          HG1       PRO  35  -6.814 -15.771  -1.325
  280   1HD   PRO  35          HD2       PRO  35  -7.267 -14.924   1.306
  281   2HD   PRO  35          HD1       PRO  35  -5.726 -14.754   0.436
  282    H    GLY  36           HN       GLY  36  -8.660 -10.333  -1.319
  283   1HA   GLY  36          HA2       GLY  36 -10.996  -9.689  -1.381
  284   2HA   GLY  36          HA1       GLY  36 -11.367 -11.093  -0.368
  285    H    GLU  37           HN       GLU  37  -8.553  -9.141   0.297
  286    HA   GLU  37           HA       GLU  37  -9.963  -8.044   2.705
  287   1HB   GLU  37          HB2       GLU  37  -7.289  -9.342   2.369
  288   2HB   GLU  37          HB1       GLU  37  -7.465  -8.082   3.580
  289   1HG   GLU  37          HG2       GLU  37  -9.347 -10.439   3.384
  290   2HG   GLU  37          HG1       GLU  37  -7.913 -10.442   4.410
  291    H    THR  38           HN       THR  38  -8.233  -6.210   3.627
  292    HA   THR  38           HA       THR  38  -7.395  -4.565   1.304
  293    HB   THR  38           HB       THR  38  -8.446  -2.589   2.708
  294    HG1  THR  38           HG1      THR  38  -9.769  -3.238   4.187
  295   1HG2  THR  38          HG21      THR  38 -10.507  -2.868   1.340
  296   2HG2  THR  38          HG22      THR  38 -10.010  -4.521   0.975
  297   3HG2  THR  38          HG23      THR  38  -9.037  -3.163   0.409
  298    H    LEU  39           HN       LEU  39  -5.794  -3.032   1.752
  299    HA   LEU  39           HA       LEU  39  -4.616  -3.005   4.490
  300   1HB   LEU  39          HB2       LEU  39  -3.364  -4.751   3.416
  301   2HB   LEU  39          HB1       LEU  39  -3.224  -3.826   1.924
  302    HG   LEU  39           HG       LEU  39  -2.054  -2.069   3.572
  303   1HD1  LEU  39          HD11      LEU  39  -0.556  -3.703   5.035
  304   2HD1  LEU  39          HD12      LEU  39  -2.009  -4.701   4.973
  305   3HD1  LEU  39          HD13      LEU  39  -2.084  -3.072   5.643
  306   1HD2  LEU  39          HD21      LEU  39   0.131  -3.195   2.976
  307   2HD2  LEU  39          HD22      LEU  39  -0.960  -2.962   1.610
  308   3HD2  LEU  39          HD23      LEU  39  -0.811  -4.552   2.358
  309    H    LEU  40           HN       LEU  40  -4.508  -0.815   4.926
  310    HA   LEU  40           HA       LEU  40  -4.259   1.112   2.713
  311   1HB   LEU  40          HB2       LEU  40  -5.797   1.772   4.440
  312   2HB   LEU  40          HB1       LEU  40  -4.622   1.419   5.707
  313    HG   LEU  40           HG       LEU  40  -3.137   3.201   4.697
  314   1HD1  LEU  40          HD11      LEU  40  -4.194   4.807   3.168
  315   2HD1  LEU  40          HD12      LEU  40  -5.678   3.854   3.172
  316   3HD1  LEU  40          HD13      LEU  40  -4.208   3.193   2.457
  317   1HD2  LEU  40          HD21      LEU  40  -5.148   3.411   6.525
  318   2HD2  LEU  40          HD22      LEU  40  -5.656   4.618   5.344
  319   3HD2  LEU  40          HD23      LEU  40  -4.069   4.741   6.103
  320    H    ILE  41           HN       ILE  41  -2.415   2.526   2.531
  321    HA   ILE  41           HA       ILE  41  -0.087   1.808   4.245
  322    HB   ILE  41           HB       ILE  41   0.144   2.013   1.247
  323   1HG1  ILE  41          HG12      ILE  41  -0.689  -0.326   2.971
  324   2HG1  ILE  41          HG11      ILE  41  -1.379   0.232   1.460
  325   1HG2  ILE  41          HG21      ILE  41   2.314   1.945   1.880
  326   2HG2  ILE  41          HG22      ILE  41   2.033   0.256   2.281
  327   3HG2  ILE  41          HG23      ILE  41   1.901   1.485   3.529
  328   1HD1  ILE  41          HD11      ILE  41   0.654  -1.743   1.843
  329   2HD1  ILE  41          HD12      ILE  41   1.333  -0.403   0.920
  330   3HD1  ILE  41          HD13      ILE  41  -0.111  -1.231   0.340
  331    H    ILE  42           HN       ILE  42   0.963   3.656   4.911
  332    HA   ILE  42           HA       ILE  42   0.450   6.132   3.356
  333    HB   ILE  42           HB       ILE  42   1.764   5.893   6.068
  334   1HG1  ILE  42          HG12      ILE  42  -1.135   5.976   5.274
  335   2HG1  ILE  42          HG11      ILE  42  -0.355   5.019   6.534
  336   1HG2  ILE  42          HG21      ILE  42   1.251   8.258   6.217
  337   2HG2  ILE  42          HG22      ILE  42   0.315   8.194   4.722
  338   3HG2  ILE  42          HG23      ILE  42   2.062   7.976   4.679
  339   1HD1  ILE  42          HD11      ILE  42  -1.615   6.809   7.577
  340   2HD1  ILE  42          HD12      ILE  42  -0.814   8.005   6.557
  341   3HD1  ILE  42          HD13      ILE  42   0.109   7.126   7.777
  342    H    ALA  43           HN       ALA  43   2.354   7.479   2.955
  343    HA   ALA  43           HA       ALA  43   4.983   6.305   3.351
  344   1HB   ALA  43          HB1       ALA  43   5.394   5.409   1.303
  345   2HB   ALA  43          HB2       ALA  43   4.519   6.691   0.467
  346   3HB   ALA  43          HB3       ALA  43   3.638   5.330   1.162
  347    H    ASP  44           HN       ASP  44   6.337   8.004   3.545
  348    HA   ASP  44           HA       ASP  44   5.470  10.552   2.277
  349   1HB   ASP  44          HB2       ASP  44   6.877  11.734   3.846
  350   2HB   ASP  44          HB1       ASP  44   5.857  10.640   4.768
  351    H    ASP  45           HN       ASP  45   7.783   7.994   2.432
  352    HA   ASP  45           HA       ASP  45   9.949   9.251   1.058
  353   1HB   ASP  45          HB2       ASP  45  10.417   7.175   1.958
  354   2HB   ASP  45          HB1       ASP  45   8.906   6.499   1.385
  355    HA   PRO  46           HA       PRO  46   8.012   9.883  -2.861
  356   1HB   PRO  46          HB2       PRO  46  10.298  10.297  -4.329
  357   2HB   PRO  46          HB1       PRO  46   9.607  11.505  -3.233
  358   1HG   PRO  46          HG2       PRO  46  12.023   9.800  -2.866
  359   2HG   PRO  46          HG1       PRO  46  11.640  11.372  -2.144
  360   1HD   PRO  46          HD2       PRO  46  11.416   8.850  -0.868
  361   2HD   PRO  46          HD1       PRO  46  10.758  10.383  -0.274
  362    H    ALA  47           HN       ALA  47  10.330   7.406  -2.286
  363    HA   ALA  47           HA       ALA  47   9.952   6.143  -4.928
  364   1HB   ALA  47          HB1       ALA  47  12.117   6.161  -3.410
  365   2HB   ALA  47          HB2       ALA  47  11.716   4.732  -4.364
  366   3HB   ALA  47          HB3       ALA  47  11.337   4.779  -2.643
  367    H    THR  48           HN       THR  48   8.166   6.250  -2.129
  368    HA   THR  48           HA       THR  48   7.364   3.411  -2.154
  369    HB   THR  48           HB       THR  48   5.640   4.329  -0.444
  370    HG1  THR  48           HG1      THR  48   7.020   6.395   0.319
  371   1HG2  THR  48          HG21      THR  48   8.461   3.749  -0.258
  372   2HG2  THR  48          HG22      THR  48   7.175   3.383   0.892
  373   3HG2  THR  48          HG23      THR  48   8.005   4.934   0.966
  374    H    THR  49           HN       THR  49   5.979   6.579  -2.994
  375    HA   THR  49           HA       THR  49   3.380   5.712  -3.723
  376    HB   THR  49           HB       THR  49   3.108   7.774  -4.733
  377    HG1  THR  49           HG1      THR  49   5.190   8.689  -5.750
  378   1HG2  THR  49          HG21      THR  49   4.689   7.854  -2.536
  379   2HG2  THR  49          HG22      THR  49   4.113   9.297  -3.371
  380   3HG2  THR  49          HG23      THR  49   5.731   8.673  -3.699
  381    H    ARG  50           HN       ARG  50   6.449   5.540  -5.427
  382    HA   ARG  50           HA       ARG  50   5.073   4.434  -7.817
  383   1HB   ARG  50          HB2       ARG  50   7.899   5.310  -7.254
  384   2HB   ARG  50          HB1       ARG  50   7.469   4.445  -8.730
  385   1HG   ARG  50          HG2       ARG  50   5.821   6.179  -9.290
  386   2HG   ARG  50          HG1       ARG  50   6.198   7.037  -7.795
  387   1HD   ARG  50          HD2       ARG  50   7.694   8.175  -9.074
  388   2HD   ARG  50          HD1       ARG  50   8.692   6.733  -8.894
  389    HE   ARG  50           HE       ARG  50   7.436   7.610 -11.341
  390   1HH1  ARG  50          HH21      ARG  50   6.124   4.947 -10.708
  391   2HH1  ARG  50          HH22      ARG  50   7.190   3.842 -11.509
  392   1HH2  ARG  50          HH11      ARG  50   9.758   6.148 -11.846
  393   2HH2  ARG  50          HH12      ARG  50   9.247   4.522 -12.154
  394    H    ASP  51           HN       ASP  51   7.392   3.400  -5.354
  395    HA   ASP  51           HA       ASP  51   7.712   0.788  -6.641
  396   1HB   ASP  51          HB2       ASP  51   8.697   1.775  -3.951
  397   2HB   ASP  51          HB1       ASP  51   9.234   0.310  -4.781
  398    H    ILE  52           HN       ILE  52   6.278   1.886  -3.545
  399    HA   ILE  52           HA       ILE  52   5.577  -0.646  -2.575
  400    HB   ILE  52           HB       ILE  52   4.525   2.096  -2.160
  401   1HG1  ILE  52          HG12      ILE  52   5.563  -0.174  -0.468
  402   2HG1  ILE  52          HG11      ILE  52   6.343   1.370  -0.808
  403   1HG2  ILE  52          HG21      ILE  52   2.745   1.212  -0.628
  404   2HG2  ILE  52          HG22      ILE  52   3.026  -0.397  -1.294
  405   3HG2  ILE  52          HG23      ILE  52   2.410   0.890  -2.330
  406   1HD1  ILE  52          HD11      ILE  52   4.530   0.718   1.318
  407   2HD1  ILE  52          HD12      ILE  52   3.792   1.954   0.298
  408   3HD1  ILE  52          HD13      ILE  52   5.374   2.238   1.023
  409    HA   PRO  53           HA       PRO  53   1.495  -0.530  -4.942
  410   1HB   PRO  53          HB2       PRO  53   1.351   1.223  -7.051
  411   2HB   PRO  53          HB1       PRO  53   0.728   1.548  -5.424
  412   1HG   PRO  53          HG2       PRO  53   3.175   2.607  -6.758
  413   2HG   PRO  53          HG1       PRO  53   2.208   3.331  -5.463
  414   1HD   PRO  53          HD2       PRO  53   4.676   2.017  -5.126
  415   2HD   PRO  53          HD1       PRO  53   3.525   2.400  -3.828
  416    H    GLY  54           HN       GLY  54   4.142   0.537  -7.109
  417   1HA   GLY  54          HA2       GLY  54   3.604  -1.216  -9.234
  418   2HA   GLY  54          HA1       GLY  54   5.247  -0.737  -8.770
  419    H    PHE  55           HN       PHE  55   4.734  -1.888  -6.006
  420    HA   PHE  55           HA       PHE  55   5.620  -4.602  -6.660
  421   1HB   PHE  55          HB2       PHE  55   6.696  -3.924  -4.725
  422   2HB   PHE  55          HB1       PHE  55   5.327  -2.960  -4.175
  423    HD1  PHE  55           HD1      PHE  55   5.444  -6.547  -5.239
  424    HD2  PHE  55           HD2      PHE  55   4.805  -3.777  -2.029
  425    HE1  PHE  55           HE1      PHE  55   4.670  -8.398  -3.805
  426    HE2  PHE  55           HE2      PHE  55   4.028  -5.640  -0.599
  427    HZ   PHE  55           HZ       PHE  55   3.949  -7.946  -1.489
  428    H    CYS  56           HN       CYS  56   2.793  -3.227  -4.891
  429    HA   CYS  56           HA       CYS  56   1.433  -5.654  -4.485
  430   1HB   CYS  56          HB2       CYS  56   0.487  -2.840  -4.969
  431   2HB   CYS  56          HB1       CYS  56  -0.663  -4.154  -4.710
  432    HG   CYS  56           HG       CYS  56   0.946  -2.834  -2.536
  433    H    THR  57           HN       THR  57   1.569  -3.650  -7.395
  434    HA   THR  57           HA       THR  57  -0.474  -5.081  -8.823
  435    HB   THR  57           HB       THR  57   1.919  -3.667 -10.018
  436    HG1  THR  57           HG1      THR  57   0.535  -1.845  -9.973
  437   1HG2  THR  57          HG21      THR  57  -0.335  -5.033 -11.103
  438   2HG2  THR  57          HG22      THR  57   0.915  -4.139 -11.966
  439   3HG2  THR  57          HG23      THR  57  -0.542  -3.311 -11.420
  440    H    PHE  58           HN       PHE  58   2.993  -5.610  -8.429
  441    HA   PHE  58           HA       PHE  58   3.182  -7.628 -10.491
  442   1HB   PHE  58          HB2       PHE  58   5.042  -6.210  -9.247
  443   2HB   PHE  58          HB1       PHE  58   5.060  -7.602  -8.164
  444    HD1  PHE  58           HD1      PHE  58   6.365  -6.276 -11.172
  445    HD2  PHE  58           HD2      PHE  58   5.078  -9.962  -9.378
  446    HE1  PHE  58           HE1      PHE  58   7.704  -7.549 -12.826
  447    HE2  PHE  58           HE2      PHE  58   6.417 -11.235 -11.032
  448    HZ   PHE  58           HZ       PHE  58   7.730 -10.028 -12.757
  449    H    MET  59           HN       MET  59   2.394  -7.764  -7.035
  450    HA   MET  59           HA       MET  59   2.606 -10.692  -7.060
  451   1HB   MET  59          HB2       MET  59   2.160  -8.639  -5.005
  452   2HB   MET  59          HB1       MET  59   1.498 -10.235  -4.684
  453   1HG   MET  59          HG2       MET  59   4.375  -9.643  -5.433
  454   2HG   MET  59          HG1       MET  59   3.802 -10.032  -3.811
  455   1HE   MET  59          HE1       MET  59   3.522 -13.329  -3.297
  456   2HE   MET  59          HE2       MET  59   4.041 -11.699  -2.877
  457   3HE   MET  59          HE3       MET  59   5.203 -12.840  -3.548
  458    H    GLU  60           HN       GLU  60   0.344  -8.744  -8.321
  459    HA   GLU  60           HA       GLU  60  -1.782  -9.370  -9.157
  460   1HB   GLU  60          HB2       GLU  60  -0.845 -11.787  -8.347
  461   2HB   GLU  60          HB1       GLU  60  -2.214 -11.589  -7.251
  462   1HG   GLU  60          HG2       GLU  60  -3.746 -11.768  -8.927
  463   2HG   GLU  60          HG1       GLU  60  -2.758 -10.841 -10.058
  464    H    HIS  61           HN       HIS  61  -1.197  -7.688  -6.738
  465    HA   HIS  61           HA       HIS  61  -3.665  -8.050  -5.149
  466   1HB   HIS  61          HB2       HIS  61  -1.450  -6.006  -4.812
  467   2HB   HIS  61          HB1       HIS  61  -2.690  -6.439  -3.641
  468    HD1  HIS  61           HD1      HIS  61  -2.229  -9.576  -4.724
  469    HD2  HIS  61           HD2      HIS  61   0.427  -7.033  -2.764
  470    HE1  HIS  61           HE1      HIS  61  -0.469 -11.051  -3.682
  471    H    GLU  62           HN       GLU  62  -4.766  -5.766  -4.652
  472    HA   GLU  62           HA       GLU  62  -4.888  -4.318  -7.268
  473   1HB   GLU  62          HB2       GLU  62  -7.004  -5.394  -5.507
  474   2HB   GLU  62          HB1       GLU  62  -7.327  -3.839  -6.257
  475   1HG   GLU  62          HG2       GLU  62  -6.189  -5.494  -8.264
  476   2HG   GLU  62          HG1       GLU  62  -7.401  -6.473  -7.438
  477    H    LEU  63           HN       LEU  63  -5.056  -2.126  -7.201
  478    HA   LEU  63           HA       LEU  63  -4.360  -0.803  -4.645
  479   1HB   LEU  63          HB2       LEU  63  -3.073   0.112  -6.397
  480   2HB   LEU  63          HB1       LEU  63  -4.394  -0.003  -7.554
  481    HG   LEU  63           HG       LEU  63  -5.582   1.783  -6.120
  482   1HD1  LEU  63          HD11      LEU  63  -3.420   1.331  -4.438
  483   2HD1  LEU  63          HD12      LEU  63  -4.512   2.715  -4.357
  484   3HD1  LEU  63          HD13      LEU  63  -2.995   2.838  -5.248
  485   1HD2  LEU  63          HD21      LEU  63  -3.155   3.075  -7.180
  486   2HD2  LEU  63          HD22      LEU  63  -4.842   3.297  -7.643
  487   3HD2  LEU  63          HD23      LEU  63  -3.919   1.943  -8.296
  488    H    VAL  64           HN       VAL  64  -6.273  -0.691  -3.406
  489    HA   VAL  64           HA       VAL  64  -8.812  -0.376  -4.678
  490    HB   VAL  64           HB       VAL  64  -7.866  -0.256  -1.814
  491   1HG1  VAL  64          HG11      VAL  64 -10.613  -0.120  -3.042
  492   2HG1  VAL  64          HG12      VAL  64  -9.896   0.991  -1.875
  493   3HG1  VAL  64          HG13      VAL  64 -10.345  -0.643  -1.383
  494   1HG2  VAL  64          HG21      VAL  64  -8.106  -2.356  -3.572
  495   2HG2  VAL  64          HG22      VAL  64  -9.678  -2.363  -2.771
  496   3HG2  VAL  64          HG23      VAL  64  -8.201  -2.496  -1.817
  497    H    ALA  65           HN       ALA  65  -6.817   1.949  -2.707
  498    HA   ALA  65           HA       ALA  65  -8.115   4.088  -4.328
  499   1HB   ALA  65          HB1       ALA  65  -8.208   5.239  -1.836
  500   2HB   ALA  65          HB2       ALA  65  -8.654   3.571  -1.482
  501   3HB   ALA  65          HB3       ALA  65  -9.587   4.503  -2.654
  502    H    LYS  66           HN       LYS  66  -6.546   5.661  -4.861
  503    HA   LYS  66           HA       LYS  66  -4.009   5.462  -3.368
  504   1HB   LYS  66          HB2       LYS  66  -4.371   7.188  -5.757
  505   2HB   LYS  66          HB1       LYS  66  -2.955   6.271  -5.250
  506   1HG   LYS  66          HG2       LYS  66  -3.674   4.903  -6.888
  507   2HG   LYS  66          HG1       LYS  66  -4.663   4.252  -5.610
  508   1HD   LYS  66          HD2       LYS  66  -6.482   4.742  -6.841
  509   2HD   LYS  66          HD1       LYS  66  -6.087   6.451  -6.651
  510   1HE   LYS  66          HE2       LYS  66  -5.424   6.622  -8.800
  511   2HE   LYS  66          HE1       LYS  66  -4.411   5.185  -8.668
  512   1HZ   LYS  66          HZ1       LYS  66  -6.652   5.330 -10.130
  513   2HZ   LYS  66          HZ2       LYS  66  -7.252   4.664  -8.687
  514   3HZ   LYS  66          HZ3       LYS  66  -5.998   3.887  -9.528
  515    H    GLU  67           HN       GLU  67  -2.889   7.416  -2.841
  516    HA   GLU  67           HA       GLU  67  -4.588   9.813  -2.485
  517   1HB   GLU  67          HB2       GLU  67  -3.336   8.160  -0.406
  518   2HB   GLU  67          HB1       GLU  67  -3.262   9.882  -0.179
  519   1HG   GLU  67          HG2       GLU  67  -5.887   9.366  -1.021
  520   2HG   GLU  67          HG1       GLU  67  -5.516   8.097   0.148
  521    H    THR  68           HN       THR  68  -3.488  11.325  -3.622
  522    HA   THR  68           HA       THR  68  -0.567  11.657  -3.081
  523    HB   THR  68           HB       THR  68  -0.106  11.995  -5.436
  524    HG1  THR  68           HG1      THR  68  -1.661  12.551  -6.705
  525   1HG2  THR  68          HG21      THR  68  -0.843   9.743  -6.366
  526   2HG2  THR  68          HG22      THR  68  -1.737   9.513  -4.863
  527   3HG2  THR  68          HG23      THR  68   0.019   9.684  -4.828
  528    H    ASP  69           HN       ASP  69  -3.012  12.990  -2.122
  529    HA   ASP  69           HA       ASP  69  -3.193  15.533  -3.544
  530   1HB   ASP  69          HB2       ASP  69  -4.201  14.754  -0.803
  531   2HB   ASP  69          HB1       ASP  69  -4.677  16.199  -1.696
  532    H    GLY  70           HN       GLY  70  -0.780  14.349  -1.811
  533   1HA   GLY  70          HA2       GLY  70   1.025  16.133  -1.527
  534   2HA   GLY  70          HA1       GLY  70  -0.122  16.855  -0.430
  535    H    LEU  71           HN       LEU  71   2.501  15.215  -0.417
  536    HA   LEU  71           HA       LEU  71   2.488  12.914   0.989
  537   1HB   LEU  71          HB2       LEU  71   4.176  15.334   1.643
  538   2HB   LEU  71          HB1       LEU  71   4.474  13.728   2.273
  539    HG   LEU  71           HG       LEU  71   4.138  13.963  -0.645
  540   1HD1  LEU  71          HD11      LEU  71   6.714  14.714   0.758
  541   2HD1  LEU  71          HD12      LEU  71   5.630  15.879  -0.001
  542   3HD1  LEU  71          HD13      LEU  71   6.443  14.661  -0.984
  543   1HD2  LEU  71          HD21      LEU  71   6.061  12.282  -0.456
  544   2HD2  LEU  71          HD22      LEU  71   4.518  11.779   0.235
  545   3HD2  LEU  71          HD23      LEU  71   5.809  12.357   1.287
  546    HA   PRO  72           HA       PRO  72   3.336  11.900   2.455
  547   1HB   PRO  72          HB2       PRO  72   2.313   9.920   4.025
  548   2HB   PRO  72          HB1       PRO  72   3.542  11.060   4.608
  549   1HG   PRO  72          HG2       PRO  72   0.625  10.979   5.183
  550   2HG   PRO  72          HG1       PRO  72   1.943  11.570   6.214
  551   1HD   PRO  72          HD2       PRO  72   0.183  13.186   4.705
  552   2HD   PRO  72          HD1       PRO  72   1.733  13.719   5.394
  553    H    TYR  73           HN       TYR  73   2.783  10.256   0.990
  554    HA   TYR  73           HA       TYR  73   0.190  10.336  -0.238
  555   1HB   TYR  73          HB2       TYR  73   2.082   8.084  -0.614
  556   2HB   TYR  73          HB1       TYR  73   1.003   8.813  -1.791
  557    HD1  TYR  73           HD1      TYR  73   4.223   8.717  -0.395
  558    HD2  TYR  73           HD2      TYR  73   1.532  11.232  -2.545
  559    HE1  TYR  73           HE1      TYR  73   6.149  10.048  -1.182
  560    HE2  TYR  73           HE2      TYR  73   3.424  12.619  -3.326
  561    HH   TYR  73           HH       TYR  73   6.638  11.608  -3.127
  562    H    ARG  74           HN       ARG  74  -1.172   8.336  -0.550
  563    HA   ARG  74           HA       ARG  74  -0.769   6.239   1.429
  564   1HB   ARG  74          HB2       ARG  74  -3.076   8.147   1.470
  565   2HB   ARG  74          HB1       ARG  74  -3.309   6.459   1.941
  566   1HG   ARG  74          HG2       ARG  74  -2.012   6.625   3.780
  567   2HG   ARG  74          HG1       ARG  74  -0.964   7.830   3.075
  568   1HD   ARG  74          HD2       ARG  74  -3.797   8.605   3.603
  569   2HD   ARG  74          HD1       ARG  74  -2.719   8.462   4.992
  570    HE   ARG  74           HE       ARG  74  -1.205  10.092   3.688
  571   1HH1  ARG  74          HH21      ARG  74  -3.793  11.198   4.989
  572   2HH1  ARG  74          HH22      ARG  74  -4.341  12.256   3.731
  573   1HH2  ARG  74          HH11      ARG  74  -2.259  10.894   1.316
  574   2HH2  ARG  74          HH12      ARG  74  -3.471  12.085   1.653
  575    H    TYR  75           HN       TYR  75  -1.906   4.357   0.832
  576    HA   TYR  75           HA       TYR  75  -3.416   4.442  -1.665
  577   1HB   TYR  75          HB2       TYR  75  -1.215   2.481  -1.664
  578   2HB   TYR  75          HB1       TYR  75  -1.992   3.301  -3.017
  579    HD1  TYR  75           HD1      TYR  75  -1.515   5.882  -3.233
  580    HD2  TYR  75           HD2      TYR  75   0.762   3.179  -0.877
  581    HE1  TYR  75           HE1      TYR  75   0.410   7.443  -3.348
  582    HE2  TYR  75           HE2      TYR  75   2.719   4.723  -0.955
  583    HH   TYR  75           HH       TYR  75   3.475   6.679  -1.678
  584    H    LEU  76           HN       LEU  76  -5.088   3.006  -1.334
  585    HA   LEU  76           HA       LEU  76  -4.715   1.055   0.743
  586   1HB   LEU  76          HB2       LEU  76  -6.893   2.168   0.628
  587   2HB   LEU  76          HB1       LEU  76  -7.127   1.562  -0.995
  588    HG   LEU  76           HG       LEU  76  -6.725  -0.759   0.000
  589   1HD1  LEU  76          HD11      LEU  76  -6.312   0.846   2.304
  590   2HD1  LEU  76          HD12      LEU  76  -6.276  -0.914   2.187
  591   3HD1  LEU  76          HD13      LEU  76  -7.787  -0.086   2.567
  592   1HD2  LEU  76          HD21      LEU  76  -8.977   0.877  -0.283
  593   2HD2  LEU  76          HD22      LEU  76  -9.189  -0.007   1.230
  594   3HD2  LEU  76          HD23      LEU  76  -8.914  -0.884  -0.276
  595    H    ILE  77           HN       ILE  77  -4.891  -1.290   0.168
  596    HA   ILE  77           HA       ILE  77  -4.997  -1.848  -2.713
  597    HB   ILE  77           HB       ILE  77  -2.770  -2.867  -0.948
  598   1HG1  ILE  77          HG12      ILE  77  -2.960  -0.442  -2.727
  599   2HG1  ILE  77          HG11      ILE  77  -2.392  -0.535  -1.064
  600   1HG2  ILE  77          HG21      ILE  77  -2.738  -2.696  -3.951
  601   2HG2  ILE  77          HG22      ILE  77  -3.591  -4.026  -3.168
  602   3HG2  ILE  77          HG23      ILE  77  -1.864  -3.804  -2.894
  603   1HD1  ILE  77          HD11      ILE  77  -0.383  -1.672  -1.726
  604   2HD1  ILE  77          HD12      ILE  77  -0.561  -0.280  -2.793
  605   3HD1  ILE  77          HD13      ILE  77  -0.977  -1.892  -3.372
  606    H    ARG  78           HN       ARG  78  -6.743  -3.280  -2.694
  607    HA   ARG  78           HA       ARG  78  -7.156  -5.028  -0.397
  608   1HB   ARG  78          HB2       ARG  78  -9.031  -5.935  -1.592
  609   2HB   ARG  78          HB1       ARG  78  -9.007  -4.203  -1.914
  610   1HG   ARG  78          HG2       ARG  78  -7.767  -4.662  -4.028
  611   2HG   ARG  78          HG1       ARG  78  -7.952  -6.390  -3.722
  612   1HD   ARG  78          HD2       ARG  78 -10.285  -4.465  -3.897
  613   2HD   ARG  78          HD1       ARG  78  -9.703  -5.416  -5.264
  614    HE   ARG  78           HE       ARG  78 -10.732  -6.671  -2.748
  615   1HH1  ARG  78          HH21      ARG  78  -9.292  -7.686  -5.490
  616   2HH1  ARG  78          HH22      ARG  78 -10.621  -8.602  -6.117
  617   1HH2  ARG  78          HH11      ARG  78 -12.910  -7.339  -3.838
  618   2HH2  ARG  78          HH12      ARG  78 -12.669  -8.408  -5.181
  619    H    LYS  79           HN       LYS  79  -6.132  -6.890  -0.013
  620    HA   LYS  79           HA       LYS  79  -4.185  -8.013  -1.818
  621   1HB   LYS  79          HB2       LYS  79  -3.911  -8.445   0.520
  622   2HB   LYS  79          HB1       LYS  79  -5.552  -9.068   0.669
  623   1HG   LYS  79          HG2       LYS  79  -4.760 -11.136   0.264
  624   2HG   LYS  79          HG1       LYS  79  -4.290 -10.607  -1.351
  625   1HD   LYS  79          HD2       LYS  79  -2.101 -10.497  -0.799
  626   2HD   LYS  79          HD1       LYS  79  -2.443  -9.700   0.736
  627   1HE   LYS  79          HE2       LYS  79  -1.945 -11.651   1.754
  628   2HE   LYS  79          HE1       LYS  79  -3.425 -12.306   1.055
  629   1HZ   LYS  79          HZ1       LYS  79  -0.922 -12.212  -0.504
  630   2HZ   LYS  79          HZ2       LYS  79  -2.283 -13.203  -0.732
  631   3HZ   LYS  79          HZ3       LYS  79  -1.228 -13.490   0.568
  632    H    GLY  80           HN       GLY  80  -4.957  -8.747  -3.769
  633   1HA   GLY  80          HA2       GLY  80  -6.294 -11.165  -4.087
  634   2HA   GLY  80          HA1       GLY  80  -7.576  -9.953  -4.060
  635    H    GLY  81           HN       GLY  81  -7.256 -11.361  -6.371
  636   1HA   GLY  81          HA2       GLY  81  -6.272  -9.250  -8.213
  637   2HA   GLY  81          HA1       GLY  81  -5.654 -10.888  -8.430
  Start of MODEL   17
    1   1H    MET   1          HT1       MET   1 -18.557  12.177   1.932
    2   2H    MET   1          HT2       MET   1 -17.330  13.298   2.284
    3   3H    MET   1          HT3       MET   1 -17.085  11.644   2.584
    4    HA   MET   1           HA       MET   1 -17.718  12.483  -0.152
    5   1HB   MET   1          HB2       MET   1 -14.978  12.697   1.136
    6   2HB   MET   1          HB1       MET   1 -15.328  12.910  -0.580
    7   1HG   MET   1          HG2       MET   1 -15.713  15.087  -0.159
    8   2HG   MET   1          HG1       MET   1 -17.136  14.598   0.760
    9   1HE   MET   1          HE1       MET   1 -16.138  16.981   1.078
   10   2HE   MET   1          HE2       MET   1 -14.561  17.303   1.795
   11   3HE   MET   1          HE3       MET   1 -15.992  17.246   2.820
   12    H    THR   2           HN       THR   2 -16.611  10.932  -1.636
   13    HA   THR   2           HA       THR   2 -16.988   8.242  -0.909
   14    HB   THR   2           HB       THR   2 -16.811   8.745  -3.231
   15    HG1  THR   2           HG1      THR   2 -15.887   6.867  -3.305
   16   1HG2  THR   2          HG21      THR   2 -14.382  10.206  -2.336
   17   2HG2  THR   2          HG22      THR   2 -15.578  10.651  -3.554
   18   3HG2  THR   2          HG23      THR   2 -14.318   9.480  -3.942
   19    H    ASP   3           HN       ASP   3 -15.976   7.295   0.808
   20    HA   ASP   3           HA       ASP   3 -13.035   7.762   1.104
   21   1HB   ASP   3          HB2       ASP   3 -15.155   7.079   3.156
   22   2HB   ASP   3          HB1       ASP   3 -13.425   7.025   3.497
   23    H    LEU   4           HN       LEU   4 -12.258   6.041  -0.150
   24    HA   LEU   4           HA       LEU   4 -13.360   3.334   0.264
   25   1HB   LEU   4          HB2       LEU   4 -11.005   4.242  -1.423
   26   2HB   LEU   4          HB1       LEU   4 -11.784   2.661  -1.486
   27    HG   LEU   4           HG       LEU   4 -13.178   5.289  -2.070
   28   1HD1  LEU   4          HD11      LEU   4 -11.829   5.043  -3.942
   29   2HD1  LEU   4          HD12      LEU   4 -13.214   4.062  -4.424
   30   3HD1  LEU   4          HD13      LEU   4 -11.761   3.287  -3.791
   31   1HD2  LEU   4          HD21      LEU   4 -14.038   2.401  -2.443
   32   2HD2  LEU   4          HD22      LEU   4 -14.979   3.819  -2.904
   33   3HD2  LEU   4          HD23      LEU   4 -14.647   3.497  -1.202
   34    H    PHE   5           HN       PHE   5 -11.020   5.320   1.674
   35    HA   PHE   5           HA       PHE   5  -9.190   3.164   2.461
   36   1HB   PHE   5          HB2       PHE   5  -9.315   6.129   2.822
   37   2HB   PHE   5          HB1       PHE   5  -8.366   5.193   3.975
   38    HD1  PHE   5           HD1      PHE   5  -6.421   6.550   2.969
   39    HD2  PHE   5           HD2      PHE   5  -8.643   3.630   0.746
   40    HE1  PHE   5           HE1      PHE   5  -4.598   6.365   1.313
   41    HE2  PHE   5           HE2      PHE   5  -6.768   3.467  -0.874
   42    HZ   PHE   5           HZ       PHE   5  -4.756   4.887  -0.610
   43    H    SER   6           HN       SER   6 -12.174   3.468   3.313
   44    HA   SER   6           HA       SER   6 -12.529   4.028   5.997
   45   1HB   SER   6          HB2       SER   6 -13.581   1.564   4.578
   46   2HB   SER   6          HB1       SER   6 -14.254   2.280   6.039
   47    HG   SER   6           HG       SER   6 -14.950   3.986   4.894
   48    H    SER   7           HN       SER   7 -12.781   2.222   7.790
   49    HA   SER   7           HA       SER   7 -10.281   1.393   8.656
   50   1HB   SER   7          HB2       SER   7 -11.672  -0.543   9.795
   51   2HB   SER   7          HB1       SER   7 -11.930   1.133  10.271
   52    HG   SER   7           HG       SER   7 -13.433  -0.401   8.409
   53    HA   PRO   8           HA       PRO   8  -9.602  -1.649   5.380
   54   1HB   PRO   8          HB2       PRO   8  -6.870  -1.597   5.642
   55   2HB   PRO   8          HB1       PRO   8  -7.784  -0.421   4.685
   56   1HG   PRO   8          HG2       PRO   8  -6.505  -0.072   7.358
   57   2HG   PRO   8          HG1       PRO   8  -6.833   1.134   6.104
   58   1HD   PRO   8          HD2       PRO   8  -8.355   0.747   8.446
   59   2HD   PRO   8          HD1       PRO   8  -8.858   1.677   7.022
   60    H    ASP   9           HN       ASP   9  -8.192  -3.745   5.468
   61    HA   ASP   9           HA       ASP   9  -8.718  -5.044   8.057
   62   1HB   ASP   9          HB2       ASP   9  -7.623  -6.079   5.426
   63   2HB   ASP   9          HB1       ASP   9  -7.885  -7.090   6.847
   64    H    HIS  10           HN       HIS  10  -6.061  -3.650   6.326
   65    HA   HIS  10           HA       HIS  10  -4.263  -4.330   8.587
   66   1HB   HIS  10          HB2       HIS  10  -3.869  -5.067   5.696
   67   2HB   HIS  10          HB1       HIS  10  -2.480  -4.768   6.734
   68    HD1  HIS  10           HD1      HIS  10  -1.679  -6.776   7.987
   69    HD2  HIS  10           HD2      HIS  10  -5.723  -7.079   7.018
   70    HE1  HIS  10           HE1      HIS  10  -2.443  -9.050   8.802
   71    H    THR  11           HN       THR  11  -2.086  -3.037   8.206
   72    HA   THR  11           HA       THR  11  -2.550  -0.544   6.671
   73    HB   THR  11           HB       THR  11  -1.749  -0.556   9.577
   74    HG1  THR  11           HG1      THR  11  -3.841   0.292   9.905
   75   1HG2  THR  11          HG21      THR  11  -2.522   1.954   9.100
   76   2HG2  THR  11          HG22      THR  11  -2.045   1.521   7.458
   77   3HG2  THR  11          HG23      THR  11  -0.875   1.420   8.773
   78    H    LEU  12           HN       LEU  12  -0.550   0.692   6.410
   79    HA   LEU  12           HA       LEU  12   1.978  -0.653   7.181
   80   1HB   LEU  12          HB2       LEU  12   1.646  -1.679   5.039
   81   2HB   LEU  12          HB1       LEU  12   1.099  -0.161   4.334
   82    HG   LEU  12           HG       LEU  12   3.319   0.784   4.338
   83   1HD1  LEU  12          HD11      LEU  12   3.835  -1.391   6.369
   84   2HD1  LEU  12          HD12      LEU  12   4.162   0.338   6.484
   85   3HD1  LEU  12          HD13      LEU  12   5.174  -0.682   5.468
   86   1HD2  LEU  12          HD21      LEU  12   3.240  -0.785   2.565
   87   2HD2  LEU  12          HD22      LEU  12   3.322  -2.167   3.660
   88   3HD2  LEU  12          HD23      LEU  12   4.745  -1.156   3.405
   89    H    ASP  13           HN       ASP  13   3.042   1.057   8.134
   90    HA   ASP  13           HA       ASP  13   2.604   3.792   7.123
   91   1HB   ASP  13          HB2       ASP  13   2.914   3.606   9.513
   92   2HB   ASP  13          HB1       ASP  13   4.375   2.639   9.304
   93    H    ALA  14           HN       ALA  14   4.168   4.917   5.810
   94    HA   ALA  14           HA       ALA  14   6.696   3.468   5.311
   95   1HB   ALA  14          HB1       ALA  14   6.297   2.842   3.198
   96   2HB   ALA  14          HB2       ALA  14   5.479   4.354   2.806
   97   3HB   ALA  14          HB3       ALA  14   4.597   3.052   3.608
   98    H    LEU  15           HN       LEU  15   5.576   5.906   6.485
   99    HA   LEU  15           HA       LEU  15   6.679   8.148   5.018
  100   1HB   LEU  15          HB2       LEU  15   6.034   8.261   7.917
  101   2HB   LEU  15          HB1       LEU  15   5.714   9.417   6.636
  102    HG   LEU  15           HG       LEU  15   4.208   6.877   7.229
  103   1HD1  LEU  15          HD11      LEU  15   3.613   9.013   8.420
  104   2HD1  LEU  15          HD12      LEU  15   2.310   8.340   7.442
  105   3HD1  LEU  15          HD13      LEU  15   3.239   9.715   6.845
  106   1HD2  LEU  15          HD21      LEU  15   3.040   8.270   5.051
  107   2HD2  LEU  15          HD22      LEU  15   3.773   6.668   5.033
  108   3HD2  LEU  15          HD23      LEU  15   4.750   8.089   4.673
  109    H    GLY  16           HN       GLY  16   8.808   8.198   4.896
  110   1HA   GLY  16          HA2       GLY  16  11.006   8.531   5.850
  111   2HA   GLY  16          HA1       GLY  16  10.426   7.799   7.355
  112    H    LEU  17           HN       LEU  17   9.133   5.945   4.999
  113    HA   LEU  17           HA       LEU  17  11.233   3.880   5.225
  114   1HB   LEU  17          HB2       LEU  17   8.386   3.815   4.173
  115   2HB   LEU  17          HB1       LEU  17   9.477   2.434   4.158
  116    HG   LEU  17           HG       LEU  17   8.092   3.739   6.451
  117   1HD1  LEU  17          HD11      LEU  17   7.288   1.627   5.525
  118   2HD1  LEU  17          HD12      LEU  17   7.986   1.318   7.115
  119   3HD1  LEU  17          HD13      LEU  17   8.898   0.923   5.658
  120   1HD2  LEU  17          HD21      LEU  17   9.710   2.793   8.026
  121   2HD2  LEU  17          HD22      LEU  17  10.499   3.975   6.981
  122   3HD2  LEU  17          HD23      LEU  17  10.718   2.250   6.686
  123    H    ARG  18           HN       ARG  18  12.117   2.987   3.303
  124    HA   ARG  18           HA       ARG  18  11.243   4.312   0.806
  125   1HB   ARG  18          HB2       ARG  18  13.728   4.655   0.232
  126   2HB   ARG  18          HB1       ARG  18  12.945   5.773   1.349
  127   1HG   ARG  18          HG2       ARG  18  14.564   5.300   2.847
  128   2HG   ARG  18          HG1       ARG  18  13.892   3.672   2.958
  129   1HD   ARG  18          HD2       ARG  18  15.291   3.299   0.737
  130   2HD   ARG  18          HD1       ARG  18  16.233   4.650   1.368
  131    HE   ARG  18           HE       ARG  18  15.954   1.990   2.660
  132   1HH1  ARG  18          HH11      ARG  18  16.081   4.222   4.673
  133   2HH1  ARG  18          HH12      ARG  18  17.786   4.361   4.943
  134   1HH2  ARG  18          HH21      ARG  18  18.651   2.579   2.099
  135   2HH2  ARG  18          HH22      ARG  18  19.241   3.430   3.487
  136    H    CYS  19           HN       CYS  19  11.715   3.105  -1.041
  137    HA   CYS  19           HA       CYS  19  11.570   0.325  -0.842
  138   1HB   CYS  19          HB2       CYS  19  11.192   1.309  -2.965
  139   2HB   CYS  19          HB1       CYS  19  12.791   2.045  -3.003
  140    HG   CYS  19           HG       CYS  19  12.921  -0.129  -4.447
  141    HA   PRO  20           HA       PRO  20  12.018  -1.477  -1.458
  142   1HB   PRO  20          HB2       PRO  20  12.883  -3.842  -0.403
  143   2HB   PRO  20          HB1       PRO  20  13.443  -3.229  -1.969
  144   1HG   PRO  20          HG2       PRO  20  14.896  -3.344   0.624
  145   2HG   PRO  20          HG1       PRO  20  15.546  -3.304  -1.019
  146   1HD   PRO  20          HD2       PRO  20  15.371  -1.121   0.809
  147   2HD   PRO  20          HD1       PRO  20  15.856  -1.046  -0.898
  148    H    GLU  21           HN       GLU  21  13.018  -0.435   1.534
  149    HA   GLU  21           HA       GLU  21  11.911  -2.129   3.437
  150   1HB   GLU  21          HB2       GLU  21  12.292   0.804   3.404
  151   2HB   GLU  21          HB1       GLU  21  11.531   0.042   4.791
  152   1HG   GLU  21          HG2       GLU  21  13.508  -0.751   5.534
  153   2HG   GLU  21          HG1       GLU  21  13.909  -1.408   3.947
  154    HA   PRO  22           HA       PRO  22   7.695   0.062   3.287
  155   1HB   PRO  22          HB2       PRO  22   7.134   1.341   0.912
  156   2HB   PRO  22          HB1       PRO  22   7.788   2.152   2.332
  157   1HG   PRO  22          HG2       PRO  22   9.178   1.358  -0.181
  158   2HG   PRO  22          HG1       PRO  22   9.532   2.700   0.921
  159   1HD   PRO  22          HD2       PRO  22  10.945   0.299   0.828
  160   2HD   PRO  22          HD1       PRO  22  10.957   1.416   2.200
  161    H    VAL  23           HN       VAL  23   8.499  -0.501  -0.117
  162    HA   VAL  23           HA       VAL  23   6.370  -2.194  -0.810
  163    HB   VAL  23           HB       VAL  23   9.293  -2.353  -1.591
  164   1HG1  VAL  23          HG11      VAL  23   8.387  -4.463  -2.179
  165   2HG1  VAL  23          HG12      VAL  23   8.262  -3.513  -3.659
  166   3HG1  VAL  23          HG13      VAL  23   6.840  -3.761  -2.647
  167   1HG2  VAL  23          HG21      VAL  23   8.828  -0.817  -3.246
  168   2HG2  VAL  23          HG22      VAL  23   7.613  -0.306  -2.074
  169   3HG2  VAL  23          HG23      VAL  23   7.157  -1.353  -3.417
  170    H    MET  24           HN       MET  24   9.152  -2.758   1.243
  171    HA   MET  24           HA       MET  24   9.001  -5.658   1.213
  172   1HB   MET  24          HB2       MET  24  10.397  -3.587   2.853
  173   2HB   MET  24          HB1       MET  24  10.257  -5.212   3.520
  174   1HG   MET  24          HG2       MET  24  11.026  -5.349   0.737
  175   2HG   MET  24          HG1       MET  24  12.142  -4.312   1.624
  176   1HE   MET  24          HE1       MET  24  14.026  -7.474   1.213
  177   2HE   MET  24          HE2       MET  24  13.090  -6.343   0.239
  178   3HE   MET  24          HE3       MET  24  12.471  -7.966   0.528
  179    H    MET  25           HN       MET  25   7.730  -3.139   3.381
  180    HA   MET  25           HA       MET  25   6.629  -4.900   5.329
  181   1HB   MET  25          HB2       MET  25   6.134  -2.072   4.496
  182   2HB   MET  25          HB1       MET  25   4.919  -2.856   5.508
  183   1HG   MET  25          HG2       MET  25   6.241  -2.263   7.251
  184   2HG   MET  25          HG1       MET  25   7.276  -3.595   6.737
  185   1HE   MET  25          HE1       MET  25  10.106  -1.225   7.418
  186   2HE   MET  25          HE2       MET  25   9.442  -2.854   7.525
  187   3HE   MET  25          HE3       MET  25   8.660  -1.532   8.388
  188    H    VAL  26           HN       VAL  26   5.177  -3.480   2.389
  189    HA   VAL  26           HA       VAL  26   2.611  -4.697   2.715
  190    HB   VAL  26           HB       VAL  26   4.133  -3.935   0.214
  191   1HG1  VAL  26          HG11      VAL  26   1.945  -5.641   0.309
  192   2HG1  VAL  26          HG12      VAL  26   2.401  -4.657  -1.079
  193   3HG1  VAL  26          HG13      VAL  26   1.196  -4.066   0.065
  194   1HG2  VAL  26          HG21      VAL  26   2.026  -2.231   0.444
  195   2HG2  VAL  26          HG22      VAL  26   3.619  -1.899   1.127
  196   3HG2  VAL  26          HG23      VAL  26   2.345  -2.573   2.144
  197    H    ARG  27           HN       ARG  27   5.678  -5.969   1.601
  198    HA   ARG  27           HA       ARG  27   4.654  -8.319   0.291
  199   1HB   ARG  27          HB2       ARG  27   7.268  -7.411   1.258
  200   2HB   ARG  27          HB1       ARG  27   7.019  -9.152   1.466
  201   1HG   ARG  27          HG2       ARG  27   6.123  -8.094  -1.129
  202   2HG   ARG  27          HG1       ARG  27   7.859  -7.995  -0.864
  203   1HD   ARG  27          HD2       ARG  27   7.513 -10.479   0.014
  204   2HD   ARG  27          HD1       ARG  27   6.098 -10.406  -1.034
  205    HE   ARG  27           HE       ARG  27   8.442  -9.456  -2.424
  206   1HH1  ARG  27          HH11      ARG  27   8.605 -12.273  -0.848
  207   2HH1  ARG  27          HH12      ARG  27   8.490 -13.321  -2.221
  208   1HH2  ARG  27          HH21      ARG  27   7.522 -10.801  -4.398
  209   2HH2  ARG  27          HH22      ARG  27   7.876 -12.489  -4.232
  210    H    LYS  28           HN       LYS  28   5.950  -7.894   3.563
  211    HA   LYS  28           HA       LYS  28   5.330 -10.486   4.549
  212   1HB   LYS  28          HB2       LYS  28   5.528  -7.838   6.016
  213   2HB   LYS  28          HB1       LYS  28   5.453  -9.411   6.812
  214   1HG   LYS  28          HG2       LYS  28   7.468  -9.379   4.713
  215   2HG   LYS  28          HG1       LYS  28   7.765  -8.120   5.912
  216   1HD   LYS  28          HD2       LYS  28   7.050 -10.296   7.468
  217   2HD   LYS  28          HD1       LYS  28   7.997 -11.030   6.173
  218   1HE   LYS  28          HE2       LYS  28   9.784 -10.425   7.448
  219   2HE   LYS  28          HE1       LYS  28   9.513  -8.829   6.745
  220   1HZ   LYS  28          HZ1       LYS  28   8.350  -8.120   8.617
  221   2HZ   LYS  28          HZ2       LYS  28   9.653  -8.997   9.264
  222   3HZ   LYS  28          HZ3       LYS  28   8.106  -9.696   9.194
  223    H    THR  29           HN       THR  29   3.525  -7.461   4.750
  224    HA   THR  29           HA       THR  29   1.214  -8.450   6.098
  225    HB   THR  29           HB       THR  29   1.993  -6.142   4.411
  226    HG1  THR  29           HG1      THR  29   1.850  -6.553   6.876
  227   1HG2  THR  29          HG21      THR  29  -0.919  -6.593   5.077
  228   2HG2  THR  29          HG22      THR  29  -0.225  -6.817   3.470
  229   3HG2  THR  29          HG23      THR  29  -0.221  -5.223   4.218
  230    H    VAL  30           HN       VAL  30   2.212  -8.315   2.762
  231    HA   VAL  30           HA       VAL  30  -0.246  -9.226   1.563
  232    HB   VAL  30           HB       VAL  30   2.650  -9.020   0.755
  233   1HG1  VAL  30          HG11      VAL  30   1.882 -11.143  -0.194
  234   2HG1  VAL  30          HG12      VAL  30   2.098  -9.931  -1.458
  235   3HG1  VAL  30          HG13      VAL  30   0.478 -10.330  -0.888
  236   1HG2  VAL  30          HG21      VAL  30   0.861  -7.125   0.663
  237   2HG2  VAL  30          HG22      VAL  30   0.240  -7.994  -0.740
  238   3HG2  VAL  30          HG23      VAL  30   1.890  -7.372  -0.749
  239    H    ARG  31           HN       ARG  31   2.510 -10.660   3.070
  240    HA   ARG  31           HA       ARG  31   1.994 -13.395   2.213
  241   1HB   ARG  31          HB2       ARG  31   3.728 -12.197   4.393
  242   2HB   ARG  31          HB1       ARG  31   3.702 -13.917   3.999
  243   1HG   ARG  31          HG2       ARG  31   4.606 -13.542   1.823
  244   2HG   ARG  31          HG1       ARG  31   4.286 -11.817   1.898
  245   1HD   ARG  31          HD2       ARG  31   6.717 -12.857   2.382
  246   2HD   ARG  31          HD1       ARG  31   6.146 -11.387   3.168
  247    HE   ARG  31           HE       ARG  31   5.976 -12.596   5.204
  248   1HH1  ARG  31          HH11      ARG  31   7.712 -14.354   2.987
  249   2HH1  ARG  31          HH12      ARG  31   7.418 -15.907   3.695
  250   1HH2  ARG  31          HH21      ARG  31   5.025 -14.735   5.915
  251   2HH2  ARG  31          HH22      ARG  31   5.896 -16.123   5.354
  252    H    ASN  32           HN       ASN  32   1.089 -11.270   4.848
  253    HA   ASN  32           HA       ASN  32  -0.263 -13.569   6.199
  254   1HB   ASN  32          HB2       ASN  32  -0.379 -12.166   8.184
  255   2HB   ASN  32          HB1       ASN  32   1.279 -12.177   7.588
  256   1HD2  ASN  32          HD21      ASN  32   1.660 -10.060   8.620
  257   2HD2  ASN  32          HD22      ASN  32   1.032  -8.640   7.937
  258    H    MET  33           HN       MET  33  -0.971 -11.386   3.898
  259    HA   MET  33           HA       MET  33  -3.598 -10.559   4.962
  260   1HB   MET  33          HB2       MET  33  -1.957  -9.868   2.569
  261   2HB   MET  33          HB1       MET  33  -3.708  -9.734   2.411
  262   1HG   MET  33          HG2       MET  33  -3.434  -8.517   4.778
  263   2HG   MET  33          HG1       MET  33  -1.836  -8.174   4.133
  264   1HE   MET  33          HE1       MET  33  -5.218  -8.821   2.983
  265   2HE   MET  33          HE2       MET  33  -5.537  -7.711   1.654
  266   3HE   MET  33          HE3       MET  33  -5.900  -7.221   3.305
  267    H    GLN  34           HN       GLN  34  -5.496 -10.904   3.403
  268    HA   GLN  34           HA       GLN  34  -5.366 -13.642   2.210
  269   1HB   GLN  34          HB2       GLN  34  -7.650 -12.397   3.781
  270   2HB   GLN  34          HB1       GLN  34  -7.708 -13.965   2.976
  271   1HG   GLN  34          HG2       GLN  34  -5.412 -14.190   4.465
  272   2HG   GLN  34          HG1       GLN  34  -6.431 -13.210   5.520
  273   1HE2  GLN  34          HE21      GLN  34  -7.884 -14.377   6.789
  274   2HE2  GLN  34          HE22      GLN  34  -8.413 -15.956   6.460
  275    HA   PRO  35           HA       PRO  35  -6.942 -11.684  -1.352
  276   1HB   PRO  35          HB2       PRO  35  -8.386 -13.763  -2.458
  277   2HB   PRO  35          HB1       PRO  35  -6.621 -13.635  -2.522
  278   1HG   PRO  35          HG2       PRO  35  -8.320 -15.382  -0.787
  279   2HG   PRO  35          HG1       PRO  35  -6.684 -15.670  -1.407
  280   1HD   PRO  35          HD2       PRO  35  -7.282 -14.854   1.210
  281   2HD   PRO  35          HD1       PRO  35  -5.695 -14.684   0.428
  282    H    GLY  36           HN       GLY  36  -8.553 -10.240  -1.416
  283   1HA   GLY  36          HA2       GLY  36 -10.914  -9.662  -1.603
  284   2HA   GLY  36          HA1       GLY  36 -11.286 -11.039  -0.556
  285    H    GLU  37           HN       GLU  37  -8.489  -9.260   0.322
  286    HA   GLU  37           HA       GLU  37 -10.037  -7.955   2.529
  287   1HB   GLU  37          HB2       GLU  37  -7.411  -9.376   2.437
  288   2HB   GLU  37          HB1       GLU  37  -7.569  -8.014   3.541
  289   1HG   GLU  37          HG2       GLU  37  -8.180 -10.149   4.641
  290   2HG   GLU  37          HG1       GLU  37  -9.552  -9.044   4.561
  291    H    THR  38           HN       THR  38  -8.338  -6.107   3.472
  292    HA   THR  38           HA       THR  38  -7.289  -4.615   1.125
  293    HB   THR  38           HB       THR  38  -8.362  -2.548   2.431
  294    HG1  THR  38           HG1      THR  38  -9.512  -3.414   3.988
  295   1HG2  THR  38          HG21      THR  38 -10.164  -2.615   0.815
  296   2HG2  THR  38          HG22      THR  38  -9.990  -4.361   0.632
  297   3HG2  THR  38          HG23      THR  38  -8.718  -3.282   0.057
  298    H    LEU  39           HN       LEU  39  -5.760  -2.971   1.665
  299    HA   LEU  39           HA       LEU  39  -4.697  -2.994   4.455
  300   1HB   LEU  39          HB2       LEU  39  -3.331  -4.638   3.367
  301   2HB   LEU  39          HB1       LEU  39  -3.192  -3.659   1.909
  302    HG   LEU  39           HG       LEU  39  -2.146  -1.910   3.652
  303   1HD1  LEU  39          HD11      LEU  39  -0.605  -3.522   5.089
  304   2HD1  LEU  39          HD12      LEU  39  -2.001  -4.591   4.950
  305   3HD1  LEU  39          HD13      LEU  39  -2.180  -2.996   5.682
  306   1HD2  LEU  39          HD21      LEU  39  -1.129  -3.008   1.583
  307   2HD2  LEU  39          HD22      LEU  39  -0.519  -4.260   2.663
  308   3HD2  LEU  39          HD23      LEU  39   0.009  -2.589   2.863
  309    H    LEU  40           HN       LEU  40  -4.614  -0.828   5.006
  310    HA   LEU  40           HA       LEU  40  -4.428   1.202   2.875
  311   1HB   LEU  40          HB2       LEU  40  -5.992   1.791   4.573
  312   2HB   LEU  40          HB1       LEU  40  -4.884   1.327   5.865
  313    HG   LEU  40           HG       LEU  40  -3.356   3.176   5.148
  314   1HD1  LEU  40          HD11      LEU  40  -3.686   4.082   3.115
  315   2HD1  LEU  40          HD12      LEU  40  -5.170   4.811   3.731
  316   3HD1  LEU  40          HD13      LEU  40  -5.223   3.234   2.944
  317   1HD2  LEU  40          HD21      LEU  40  -4.422   4.520   6.625
  318   2HD2  LEU  40          HD22      LEU  40  -5.696   3.301   6.651
  319   3HD2  LEU  40          HD23      LEU  40  -5.824   4.689   5.570
  320    H    ILE  41           HN       ILE  41  -2.590   2.490   2.576
  321    HA   ILE  41           HA       ILE  41  -0.273   1.929   4.372
  322    HB   ILE  41           HB       ILE  41  -0.017   2.122   1.370
  323   1HG1  ILE  41          HG12      ILE  41  -0.776  -0.233   3.096
  324   2HG1  ILE  41          HG11      ILE  41  -1.411   0.248   1.531
  325   1HG2  ILE  41          HG21      ILE  41   1.863   0.431   2.794
  326   2HG2  ILE  41          HG22      ILE  41   1.807   2.035   3.516
  327   3HG2  ILE  41          HG23      ILE  41   2.177   1.852   1.802
  328   1HD1  ILE  41          HD11      ILE  41  -0.074  -1.593   0.978
  329   2HD1  ILE  41          HD12      ILE  41   1.174  -1.152   2.143
  330   3HD1  ILE  41          HD13      ILE  41   0.994  -0.228   0.654
  331    H    ILE  42           HN       ILE  42   1.351   3.624   4.373
  332    HA   ILE  42           HA       ILE  42   0.526   6.132   3.022
  333    HB   ILE  42           HB       ILE  42   1.926   6.264   5.662
  334   1HG1  ILE  42          HG12      ILE  42  -0.954   5.525   5.207
  335   2HG1  ILE  42          HG11      ILE  42   0.172   4.915   6.423
  336   1HG2  ILE  42          HG21      ILE  42   1.121   8.125   3.842
  337   2HG2  ILE  42          HG22      ILE  42   1.273   8.463   5.564
  338   3HG2  ILE  42          HG23      ILE  42  -0.301   8.068   4.878
  339   1HD1  ILE  42          HD11      ILE  42  -1.413   6.406   7.502
  340   2HD1  ILE  42          HD12      ILE  42  -1.061   7.674   6.325
  341   3HD1  ILE  42          HD13      ILE  42   0.176   7.173   7.480
  342    H    ALA  43           HN       ALA  43   2.481   7.544   2.804
  343    HA   ALA  43           HA       ALA  43   5.080   6.312   3.144
  344   1HB   ALA  43          HB1       ALA  43   5.440   5.412   1.101
  345   2HB   ALA  43          HB2       ALA  43   4.732   6.805   0.283
  346   3HB   ALA  43          HB3       ALA  43   3.694   5.506   0.873
  347    H    ASP  44           HN       ASP  44   6.502   7.946   3.325
  348    HA   ASP  44           HA       ASP  44   5.647  10.567   2.208
  349   1HB   ASP  44          HB2       ASP  44   6.704  11.664   3.928
  350   2HB   ASP  44          HB1       ASP  44   6.295  10.191   4.779
  351    H    ASP  45           HN       ASP  45   7.950   8.005   2.267
  352    HA   ASP  45           HA       ASP  45  10.064   9.272   0.821
  353   1HB   ASP  45          HB2       ASP  45  10.566   7.194   1.714
  354   2HB   ASP  45          HB1       ASP  45   9.057   6.502   1.152
  355    HA   PRO  46           HA       PRO  46   7.969   9.899  -3.020
  356   1HB   PRO  46          HB2       PRO  46  10.195  10.358  -4.565
  357   2HB   PRO  46          HB1       PRO  46   9.519  11.554  -3.445
  358   1HG   PRO  46          HG2       PRO  46  11.976   9.890  -3.160
  359   2HG   PRO  46          HG1       PRO  46  11.593  11.459  -2.431
  360   1HD   PRO  46          HD2       PRO  46  11.460   8.947  -1.130
  361   2HD   PRO  46          HD1       PRO  46  10.778  10.468  -0.531
  362    H    ALA  47           HN       ALA  47  10.334   7.474  -2.501
  363    HA   ALA  47           HA       ALA  47   9.917   6.178  -5.121
  364   1HB   ALA  47          HB1       ALA  47  11.957   6.132  -3.130
  365   2HB   ALA  47          HB2       ALA  47  11.958   5.332  -4.701
  366   3HB   ALA  47          HB3       ALA  47  11.328   4.492  -3.285
  367    H    THR  48           HN       THR  48   8.214   6.268  -2.262
  368    HA   THR  48           HA       THR  48   7.474   3.411  -2.259
  369    HB   THR  48           HB       THR  48   5.778   4.323  -0.494
  370    HG1  THR  48           HG1      THR  48   7.547   6.377  -0.057
  371   1HG2  THR  48          HG21      THR  48   8.408   3.412  -0.389
  372   2HG2  THR  48          HG22      THR  48   7.290   3.527   0.970
  373   3HG2  THR  48          HG23      THR  48   8.407   4.848   0.634
  374    H    THR  49           HN       THR  49   6.026   6.545  -3.095
  375    HA   THR  49           HA       THR  49   3.409   5.612  -3.708
  376    HB   THR  49           HB       THR  49   3.053   7.668  -4.710
  377    HG1  THR  49           HG1      THR  49   4.459   8.554  -6.159
  378   1HG2  THR  49          HG21      THR  49   5.718   8.569  -3.748
  379   2HG2  THR  49          HG22      THR  49   4.649   7.821  -2.562
  380   3HG2  THR  49          HG23      THR  49   4.122   9.253  -3.445
  381    H    ARG  50           HN       ARG  50   6.435   5.450  -5.447
  382    HA   ARG  50           HA       ARG  50   5.046   4.339  -7.827
  383   1HB   ARG  50          HB2       ARG  50   7.878   5.207  -7.286
  384   2HB   ARG  50          HB1       ARG  50   7.431   4.342  -8.757
  385   1HG   ARG  50          HG2       ARG  50   5.601   6.130  -9.048
  386   2HG   ARG  50          HG1       ARG  50   6.472   7.048  -7.819
  387   1HD   ARG  50          HD2       ARG  50   8.551   6.806  -9.232
  388   2HD   ARG  50          HD1       ARG  50   7.536   6.113 -10.498
  389    HE   ARG  50           HE       ARG  50   7.652   8.935  -9.743
  390   1HH1  ARG  50          HH11      ARG  50   4.774   8.398  -9.557
  391   2HH1  ARG  50          HH12      ARG  50   4.233   8.557 -11.195
  392   1HH2  ARG  50          HH21      ARG  50   7.410   8.276 -12.553
  393   2HH2  ARG  50          HH22      ARG  50   5.725   8.488 -12.890
  394    H    ASP  51           HN       ASP  51   7.389   3.300  -5.382
  395    HA   ASP  51           HA       ASP  51   7.660   0.677  -6.666
  396   1HB   ASP  51          HB2       ASP  51   8.750   1.746  -4.048
  397   2HB   ASP  51          HB1       ASP  51   9.189   0.196  -4.771
  398    H    ILE  52           HN       ILE  52   6.294   1.822  -3.555
  399    HA   ILE  52           HA       ILE  52   5.610  -0.700  -2.537
  400    HB   ILE  52           HB       ILE  52   4.570   2.051  -2.135
  401   1HG1  ILE  52          HG12      ILE  52   5.667  -0.197  -0.450
  402   2HG1  ILE  52          HG11      ILE  52   6.396   1.374  -0.786
  403   1HG2  ILE  52          HG21      ILE  52   3.102  -0.399  -1.102
  404   2HG2  ILE  52          HG22      ILE  52   2.471   0.737  -2.296
  405   3HG2  ILE  52          HG23      ILE  52   2.768   1.270  -0.642
  406   1HD1  ILE  52          HD11      ILE  52   5.392   1.220   1.507
  407   2HD1  ILE  52          HD12      ILE  52   3.814   0.993   0.756
  408   3HD1  ILE  52          HD13      ILE  52   4.692   2.505   0.524
  409    HA   PRO  53           HA       PRO  53   1.474  -0.576  -4.825
  410   1HB   PRO  53          HB2       PRO  53   1.292   1.182  -6.925
  411   2HB   PRO  53          HB1       PRO  53   0.707   1.507  -5.283
  412   1HG   PRO  53          HG2       PRO  53   3.135   2.550  -6.669
  413   2HG   PRO  53          HG1       PRO  53   2.193   3.287  -5.361
  414   1HD   PRO  53          HD2       PRO  53   4.657   1.969  -5.054
  415   2HD   PRO  53          HD1       PRO  53   3.523   2.345  -3.739
  416    H    GLY  54           HN       GLY  54   4.081   0.492  -7.036
  417   1HA   GLY  54          HA2       GLY  54   3.498  -1.244  -9.162
  418   2HA   GLY  54          HA1       GLY  54   5.153  -0.779  -8.723
  419    H    PHE  55           HN       PHE  55   4.684  -1.936  -5.956
  420    HA   PHE  55           HA       PHE  55   5.553  -4.645  -6.625
  421   1HB   PHE  55          HB2       PHE  55   6.634  -3.982  -4.697
  422   2HB   PHE  55          HB1       PHE  55   5.273  -3.012  -4.140
  423    HD1  PHE  55           HD1      PHE  55   5.282  -6.603  -5.205
  424    HD2  PHE  55           HD2      PHE  55   4.857  -3.821  -1.969
  425    HE1  PHE  55           HE1      PHE  55   4.521  -8.437  -3.732
  426    HE2  PHE  55           HE2      PHE  55   4.102  -5.661  -0.508
  427    HZ   PHE  55           HZ       PHE  55   3.922  -7.966  -1.381
  428    H    CYS  56           HN       CYS  56   2.723  -3.305  -4.810
  429    HA   CYS  56           HA       CYS  56   1.385  -5.758  -4.460
  430   1HB   CYS  56          HB2       CYS  56   0.400  -2.943  -4.862
  431   2HB   CYS  56          HB1       CYS  56  -0.729  -4.280  -4.626
  432    HG   CYS  56           HG       CYS  56   0.883  -4.752  -2.384
  433    H    THR  57           HN       THR  57   1.468  -3.664  -7.311
  434    HA   THR  57           HA       THR  57  -0.530  -5.128  -8.784
  435    HB   THR  57           HB       THR  57   1.801  -3.490  -9.825
  436    HG1  THR  57           HG1      THR  57  -0.047  -2.655  -8.347
  437   1HG2  THR  57          HG21      THR  57  -0.571  -4.793 -11.076
  438   2HG2  THR  57          HG22      THR  57   1.045  -4.534 -11.731
  439   3HG2  THR  57          HG23      THR  57  -0.107  -3.201 -11.673
  440    H    PHE  58           HN       PHE  58   2.935  -5.501  -8.348
  441    HA   PHE  58           HA       PHE  58   3.346  -7.416 -10.453
  442   1HB   PHE  58          HB2       PHE  58   5.038  -5.997  -8.990
  443   2HB   PHE  58          HB1       PHE  58   5.024  -7.440  -7.976
  444    HD1  PHE  58           HD1      PHE  58   6.607  -5.910 -10.703
  445    HD2  PHE  58           HD2      PHE  58   5.171  -9.733  -9.374
  446    HE1  PHE  58           HE1      PHE  58   8.149  -7.038 -12.285
  447    HE2  PHE  58           HE2      PHE  58   6.712 -10.862 -10.957
  448    HZ   PHE  58           HZ       PHE  58   8.203  -9.515 -12.411
  449    H    MET  59           HN       MET  59   2.342  -7.768  -7.063
  450    HA   MET  59           HA       MET  59   2.627 -10.686  -7.241
  451   1HB   MET  59          HB2       MET  59   2.058  -8.756  -5.102
  452   2HB   MET  59          HB1       MET  59   1.400 -10.372  -4.896
  453   1HG   MET  59          HG2       MET  59   3.715 -10.078  -3.939
  454   2HG   MET  59          HG1       MET  59   3.587 -11.364  -5.137
  455   1HE   MET  59          HE1       MET  59   6.043 -11.506  -5.612
  456   2HE   MET  59          HE2       MET  59   6.528 -10.722  -7.113
  457   3HE   MET  59          HE3       MET  59   5.018 -11.627  -7.049
  458    H    GLU  60           HN       GLU  60   0.369  -8.660  -8.434
  459    HA   GLU  60           HA       GLU  60  -1.700  -9.241  -9.407
  460   1HB   GLU  60          HB2       GLU  60  -2.383 -11.414  -9.462
  461   2HB   GLU  60          HB1       GLU  60  -0.773 -11.710  -8.816
  462   1HG   GLU  60          HG2       GLU  60  -2.113 -11.240  -6.506
  463   2HG   GLU  60          HG1       GLU  60  -3.418 -11.919  -7.480
  464    H    HIS  61           HN       HIS  61  -1.188  -7.778  -6.834
  465    HA   HIS  61           HA       HIS  61  -3.732  -8.204  -5.389
  466   1HB   HIS  61          HB2       HIS  61  -1.477  -6.252  -4.811
  467   2HB   HIS  61          HB1       HIS  61  -2.787  -6.711  -3.729
  468    HD1  HIS  61           HD1      HIS  61  -2.232  -9.772  -5.149
  469    HD2  HIS  61           HD2      HIS  61   0.126  -7.494  -2.576
  470    HE1  HIS  61           HE1      HIS  61  -0.613 -11.375  -4.058
  471    H    GLU  62           HN       GLU  62  -4.798  -5.896  -4.780
  472    HA   GLU  62           HA       GLU  62  -4.803  -4.321  -7.325
  473   1HB   GLU  62          HB2       GLU  62  -7.002  -5.388  -5.648
  474   2HB   GLU  62          HB1       GLU  62  -7.250  -3.813  -6.382
  475   1HG   GLU  62          HG2       GLU  62  -6.093  -5.834  -8.197
  476   2HG   GLU  62          HG1       GLU  62  -7.726  -6.208  -7.643
  477    H    LEU  63           HN       LEU  63  -4.892  -2.139  -7.186
  478    HA   LEU  63           HA       LEU  63  -4.280  -0.900  -4.568
  479   1HB   LEU  63          HB2       LEU  63  -2.937   0.119  -6.195
  480   2HB   LEU  63          HB1       LEU  63  -4.155  -0.057  -7.453
  481    HG   LEU  63           HG       LEU  63  -5.524   1.698  -6.187
  482   1HD1  LEU  63          HD11      LEU  63  -4.734   2.591  -4.272
  483   2HD1  LEU  63          HD12      LEU  63  -3.152   2.885  -4.994
  484   3HD1  LEU  63          HD13      LEU  63  -3.514   1.317  -4.274
  485   1HD2  LEU  63          HD21      LEU  63  -3.052   3.108  -6.916
  486   2HD2  LEU  63          HD22      LEU  63  -4.659   3.213  -7.635
  487   3HD2  LEU  63          HD23      LEU  63  -3.560   1.921  -8.117
  488    H    VAL  64           HN       VAL  64  -6.218  -0.801  -3.386
  489    HA   VAL  64           HA       VAL  64  -8.728  -0.501  -4.704
  490    HB   VAL  64           HB       VAL  64  -7.834  -0.386  -1.823
  491   1HG1  VAL  64          HG11      VAL  64 -10.308  -0.796  -1.427
  492   2HG1  VAL  64          HG12      VAL  64 -10.562  -0.282  -3.094
  493   3HG1  VAL  64          HG13      VAL  64  -9.878   0.842  -1.919
  494   1HG2  VAL  64          HG21      VAL  64  -8.067  -2.476  -3.621
  495   2HG2  VAL  64          HG22      VAL  64  -9.611  -2.509  -2.770
  496   3HG2  VAL  64          HG23      VAL  64  -8.103  -2.626  -1.864
  497    H    ALA  65           HN       ALA  65  -6.791   1.845  -2.705
  498    HA   ALA  65           HA       ALA  65  -8.111   3.975  -4.319
  499   1HB   ALA  65          HB1       ALA  65  -8.815   3.364  -1.577
  500   2HB   ALA  65          HB2       ALA  65  -9.549   4.528  -2.681
  501   3HB   ALA  65          HB3       ALA  65  -8.160   4.998  -1.701
  502    H    LYS  66           HN       LYS  66  -6.561   5.570  -4.826
  503    HA   LYS  66           HA       LYS  66  -4.026   5.388  -3.330
  504   1HB   LYS  66          HB2       LYS  66  -4.424   7.160  -5.683
  505   2HB   LYS  66          HB1       LYS  66  -2.989   6.258  -5.196
  506   1HG   LYS  66          HG2       LYS  66  -3.685   4.909  -6.864
  507   2HG   LYS  66          HG1       LYS  66  -4.661   4.216  -5.599
  508   1HD   LYS  66          HD2       LYS  66  -6.454   4.659  -6.896
  509   2HD   LYS  66          HD1       LYS  66  -6.174   6.362  -6.533
  510   1HE   LYS  66          HE2       LYS  66  -5.160   6.774  -8.562
  511   2HE   LYS  66          HE1       LYS  66  -4.538   5.130  -8.704
  512   1HZ   LYS  66          HZ1       LYS  66  -7.417   5.322  -8.706
  513   2HZ   LYS  66          HZ2       LYS  66  -6.384   4.435  -9.723
  514   3HZ   LYS  66          HZ3       LYS  66  -6.675   6.081 -10.030
  515    H    GLU  67           HN       GLU  67  -2.919   7.370  -2.809
  516    HA   GLU  67           HA       GLU  67  -4.659   9.720  -2.353
  517   1HB   GLU  67          HB2       GLU  67  -3.321   8.039  -0.347
  518   2HB   GLU  67          HB1       GLU  67  -3.286   9.758  -0.075
  519   1HG   GLU  67          HG2       GLU  67  -5.921   8.886  -0.920
  520   2HG   GLU  67          HG1       GLU  67  -5.396   8.023   0.527
  521    H    THR  68           HN       THR  68  -3.609  11.294  -3.460
  522    HA   THR  68           HA       THR  68  -0.681  11.660  -2.974
  523    HB   THR  68           HB       THR  68  -0.325  12.150  -5.344
  524    HG1  THR  68           HG1      THR  68  -2.000  11.977  -6.794
  525   1HG2  THR  68          HG21      THR  68  -1.859   9.593  -5.486
  526   2HG2  THR  68          HG22      THR  68  -0.530   9.691  -4.331
  527   3HG2  THR  68          HG23      THR  68  -0.228   9.956  -6.048
  528    H    ASP  69           HN       ASP  69  -3.137  12.910  -1.914
  529    HA   ASP  69           HA       ASP  69  -3.384  15.504  -3.231
  530   1HB   ASP  69          HB2       ASP  69  -4.325  14.661  -0.487
  531   2HB   ASP  69          HB1       ASP  69  -4.895  16.059  -1.402
  532    H    GLY  70           HN       GLY  70  -0.925  14.299  -1.585
  533   1HA   GLY  70          HA2       GLY  70   0.847  16.109  -1.251
  534   2HA   GLY  70          HA1       GLY  70  -0.296  16.757  -0.105
  535    H    LEU  71           HN       LEU  71   2.357  15.162  -0.225
  536    HA   LEU  71           HA       LEU  71   2.425  12.807   1.084
  537   1HB   LEU  71          HB2       LEU  71   4.072  15.232   1.819
  538   2HB   LEU  71          HB1       LEU  71   4.423  13.601   2.351
  539    HG   LEU  71           HG       LEU  71   4.006  13.998  -0.538
  540   1HD1  LEU  71          HD11      LEU  71   6.011  15.067  -0.966
  541   2HD1  LEU  71          HD12      LEU  71   6.752  14.478   0.522
  542   3HD1  LEU  71          HD13      LEU  71   5.609  15.821   0.577
  543   1HD2  LEU  71          HD21      LEU  71   4.444  11.774   0.169
  544   2HD2  LEU  71          HD22      LEU  71   5.726  12.298   1.260
  545   3HD2  LEU  71          HD23      LEU  71   5.978  12.350  -0.483
  546    HA   PRO  72           HA       PRO  72   3.342  11.756   2.484
  547   1HB   PRO  72          HB2       PRO  72   2.413   9.676   3.982
  548   2HB   PRO  72          HB1       PRO  72   3.627  10.820   4.590
  549   1HG   PRO  72          HG2       PRO  72   0.728  10.633   5.229
  550   2HG   PRO  72          HG1       PRO  72   2.053  11.210   6.256
  551   1HD   PRO  72          HD2       PRO  72   0.216  12.851   4.870
  552   2HD   PRO  72          HD1       PRO  72   1.773  13.390   5.542
  553    H    TYR  73           HN       TYR  73   2.800  10.191   0.950
  554    HA   TYR  73           HA       TYR  73   0.198  10.242  -0.236
  555   1HB   TYR  73          HB2       TYR  73   2.144   8.050  -0.693
  556   2HB   TYR  73          HB1       TYR  73   1.033   8.780  -1.845
  557    HD1  TYR  73           HD1      TYR  73   4.290   8.730  -0.505
  558    HD2  TYR  73           HD2      TYR  73   1.474  11.246  -2.500
  559    HE1  TYR  73           HE1      TYR  73   6.162  10.127  -1.325
  560    HE2  TYR  73           HE2      TYR  73   3.306  12.705  -3.287
  561    HH   TYR  73           HH       TYR  73   5.767  12.473  -3.744
  562    H    ARG  74           HN       ARG  74  -1.201   8.270  -0.525
  563    HA   ARG  74           HA       ARG  74  -0.669   6.111   1.361
  564   1HB   ARG  74          HB2       ARG  74  -3.013   7.970   1.561
  565   2HB   ARG  74          HB1       ARG  74  -3.175   6.273   2.028
  566   1HG   ARG  74          HG2       ARG  74  -1.772   6.457   3.792
  567   2HG   ARG  74          HG1       ARG  74  -0.810   7.704   3.041
  568   1HD   ARG  74          HD2       ARG  74  -2.067   8.661   4.918
  569   2HD   ARG  74          HD1       ARG  74  -2.667   9.326   3.399
  570    HE   ARG  74           HE       ARG  74  -4.442   7.396   3.647
  571   1HH1  ARG  74          HH11      ARG  74  -3.739   6.521   6.342
  572   2HH1  ARG  74          HH12      ARG  74  -4.707   7.531   7.363
  573   1HH2  ARG  74          HH21      ARG  74  -5.356   9.868   4.885
  574   2HH2  ARG  74          HH22      ARG  74  -5.622   9.426   6.539
  575    H    TYR  75           HN       TYR  75  -1.844   4.234   0.805
  576    HA   TYR  75           HA       TYR  75  -3.404   4.336  -1.664
  577   1HB   TYR  75          HB2       TYR  75  -1.203   2.369  -1.670
  578   2HB   TYR  75          HB1       TYR  75  -1.997   3.176  -3.025
  579    HD1  TYR  75           HD1      TYR  75  -1.529   5.742  -3.284
  580    HD2  TYR  75           HD2      TYR  75   0.769   3.101  -0.878
  581    HE1  TYR  75           HE1      TYR  75   0.380   7.322  -3.418
  582    HE2  TYR  75           HE2      TYR  75   2.709   4.665  -0.975
  583    HH   TYR  75           HH       TYR  75   3.444   6.620  -1.725
  584    H    LEU  76           HN       LEU  76  -5.085   2.901  -1.325
  585    HA   LEU  76           HA       LEU  76  -4.715   0.955   0.759
  586   1HB   LEU  76          HB2       LEU  76  -6.900   2.072   0.614
  587   2HB   LEU  76          HB1       LEU  76  -7.119   1.442  -1.002
  588    HG   LEU  76           HG       LEU  76  -6.698  -0.863   0.046
  589   1HD1  LEU  76          HD11      LEU  76  -7.065  -1.096   2.382
  590   2HD1  LEU  76          HD12      LEU  76  -7.581   0.584   2.538
  591   3HD1  LEU  76          HD13      LEU  76  -5.890   0.207   2.210
  592   1HD2  LEU  76          HD21      LEU  76  -9.207  -0.137   1.187
  593   2HD2  LEU  76          HD22      LEU  76  -8.876  -1.014  -0.306
  594   3HD2  LEU  76          HD23      LEU  76  -8.970   0.748  -0.319
  595    H    ILE  77           HN       ILE  77  -4.869  -1.398   0.178
  596    HA   ILE  77           HA       ILE  77  -4.912  -1.917  -2.719
  597    HB   ILE  77           HB       ILE  77  -2.735  -2.924  -0.881
  598   1HG1  ILE  77          HG12      ILE  77  -2.935  -0.556  -2.726
  599   2HG1  ILE  77          HG11      ILE  77  -2.306  -0.623  -1.086
  600   1HG2  ILE  77          HG21      ILE  77  -3.601  -4.074  -3.167
  601   2HG2  ILE  77          HG22      ILE  77  -1.908  -4.086  -2.687
  602   3HG2  ILE  77          HG23      ILE  77  -2.485  -2.892  -3.849
  603   1HD1  ILE  77          HD11      ILE  77  -0.307  -1.718  -1.790
  604   2HD1  ILE  77          HD12      ILE  77  -0.561  -0.395  -2.927
  605   3HD1  ILE  77          HD13      ILE  77  -0.964  -2.045  -3.395
  606    H    ARG  78           HN       ARG  78  -6.617  -3.333  -2.841
  607    HA   ARG  78           HA       ARG  78  -7.251  -5.111  -0.632
  608   1HB   ARG  78          HB2       ARG  78  -9.027  -4.391  -2.133
  609   2HB   ARG  78          HB1       ARG  78  -8.188  -5.093  -3.515
  610   1HG   ARG  78          HG2       ARG  78  -8.307  -7.292  -2.009
  611   2HG   ARG  78          HG1       ARG  78  -9.694  -6.451  -1.318
  612   1HD   ARG  78          HD2       ARG  78 -10.937  -6.665  -3.218
  613   2HD   ARG  78          HD1       ARG  78  -9.545  -6.421  -4.274
  614    HE   ARG  78           HE       ARG  78  -9.567  -8.995  -2.861
  615   1HH1  ARG  78          HH11      ARG  78  -8.803  -7.672  -5.742
  616   2HH1  ARG  78          HH12      ARG  78  -9.629  -8.821  -6.741
  617   1HH2  ARG  78          HH21      ARG  78 -11.348 -10.276  -4.104
  618   2HH2  ARG  78          HH22      ARG  78 -11.070 -10.296  -5.814
  619    H    LYS  79           HN       LYS  79  -5.927  -6.799  -0.132
  620    HA   LYS  79           HA       LYS  79  -4.023  -7.957  -1.943
  621   1HB   LYS  79          HB2       LYS  79  -4.029  -8.084   0.617
  622   2HB   LYS  79          HB1       LYS  79  -5.225  -9.368   0.445
  623   1HG   LYS  79          HG2       LYS  79  -2.794  -9.600  -1.248
  624   2HG   LYS  79          HG1       LYS  79  -2.564  -9.844   0.483
  625   1HD   LYS  79          HD2       LYS  79  -4.906 -11.253  -0.115
  626   2HD   LYS  79          HD1       LYS  79  -3.824 -11.598  -1.465
  627   1HE   LYS  79          HE2       LYS  79  -2.515 -11.672   1.173
  628   2HE   LYS  79          HE1       LYS  79  -3.759 -12.902   0.950
  629   1HZ   LYS  79          HZ1       LYS  79  -1.198 -12.595  -0.374
  630   2HZ   LYS  79          HZ2       LYS  79  -2.490 -13.034  -1.387
  631   3HZ   LYS  79          HZ3       LYS  79  -2.090 -13.999  -0.047
  632    H    GLY  80           HN       GLY  80  -4.524  -9.182  -3.673
  633   1HA   GLY  80          HA2       GLY  80  -6.846 -11.040  -3.453
  634   2HA   GLY  80          HA1       GLY  80  -6.693  -9.989  -4.862
  635    H    GLY  81           HN       GLY  81  -6.715 -12.295  -5.830
  636   1HA   GLY  81          HA2       GLY  81  -3.877 -13.155  -6.154
  637   2HA   GLY  81          HA1       GLY  81  -5.146 -14.357  -5.917
  Start of MODEL   18
    1   1H    MET   1          HT1       MET   1 -21.609   6.840   1.169
    2   2H    MET   1          HT2       MET   1 -20.213   7.793   1.000
    3   3H    MET   1          HT3       MET   1 -21.643   8.476   1.613
    4    HA   MET   1           HA       MET   1 -20.240   8.122   3.463
    5   1HB   MET   1          HB2       MET   1 -22.517   6.213   3.068
    6   2HB   MET   1          HB1       MET   1 -21.520   6.051   4.514
    7   1HG   MET   1          HG2       MET   1 -21.947   8.376   5.118
    8   2HG   MET   1          HG1       MET   1 -22.854   8.625   3.625
    9   1HE   MET   1          HE1       MET   1 -25.056   8.669   3.483
   10   2HE   MET   1          HE2       MET   1 -25.032   9.502   5.033
   11   3HE   MET   1          HE3       MET   1 -26.239   8.255   4.730
   12    H    THR   2           HN       THR   2 -20.397   5.332   1.303
   13    HA   THR   2           HA       THR   2 -18.468   3.764   2.806
   14    HB   THR   2           HB       THR   2 -20.150   2.803   1.187
   15    HG1  THR   2           HG1      THR   2 -17.956   1.905   1.815
   16   1HG2  THR   2          HG21      THR   2 -20.124   3.311  -1.028
   17   2HG2  THR   2          HG22      THR   2 -18.361   3.333  -1.097
   18   3HG2  THR   2          HG23      THR   2 -19.238   4.745  -0.508
   19    H    ASP   3           HN       ASP   3 -16.381   4.423   2.987
   20    HA   ASP   3           HA       ASP   3 -15.174   5.960   0.739
   21   1HB   ASP   3          HB2       ASP   3 -15.083   6.331   3.498
   22   2HB   ASP   3          HB1       ASP   3 -13.515   5.617   3.120
   23    H    LEU   4           HN       LEU   4 -13.324   5.197  -0.315
   24    HA   LEU   4           HA       LEU   4 -12.931   2.359  -0.411
   25   1HB   LEU   4          HB2       LEU   4 -11.285   4.683  -1.441
   26   2HB   LEU   4          HB1       LEU   4 -10.850   2.999  -1.739
   27    HG   LEU   4           HG       LEU   4 -13.594   4.078  -2.396
   28   1HD1  LEU   4          HD11      LEU   4 -11.704   5.331  -3.576
   29   2HD1  LEU   4          HD12      LEU   4 -12.874   4.536  -4.630
   30   3HD1  LEU   4          HD13      LEU   4 -11.298   3.797  -4.347
   31   1HD2  LEU   4          HD21      LEU   4 -13.938   2.043  -3.404
   32   2HD2  LEU   4          HD22      LEU   4 -12.720   1.525  -2.238
   33   3HD2  LEU   4          HD23      LEU   4 -12.253   1.888  -3.900
   34    H    PHE   5           HN       PHE   5 -11.217   4.964   1.279
   35    HA   PHE   5           HA       PHE   5  -9.208   3.083   2.314
   36   1HB   PHE   5          HB2       PHE   5  -9.653   6.031   2.426
   37   2HB   PHE   5          HB1       PHE   5  -8.713   5.296   3.725
   38    HD1  PHE   5           HD1      PHE   5  -6.724   6.580   2.892
   39    HD2  PHE   5           HD2      PHE   5  -8.690   3.623   0.491
   40    HE1  PHE   5           HE1      PHE   5  -4.764   6.445   1.390
   41    HE2  PHE   5           HE2      PHE   5  -6.701   3.515  -0.977
   42    HZ   PHE   5           HZ       PHE   5  -4.742   4.980  -0.561
   43    H    SER   6           HN       SER   6 -12.262   3.136   2.990
   44    HA   SER   6           HA       SER   6 -12.753   3.811   5.646
   45   1HB   SER   6          HB2       SER   6 -13.621   1.321   4.150
   46   2HB   SER   6          HB1       SER   6 -14.288   1.815   5.704
   47    HG   SER   6           HG       SER   6 -15.255   2.533   3.512
   48    H    SER   7           HN       SER   7 -12.925   2.047   7.503
   49    HA   SER   7           HA       SER   7 -10.379   1.404   8.419
   50   1HB   SER   7          HB2       SER   7 -11.672  -0.565   9.623
   51   2HB   SER   7          HB1       SER   7 -12.019   1.111  10.039
   52    HG   SER   7           HG       SER   7 -13.712  -0.662   9.187
   53    HA   PRO   8           HA       PRO   8  -9.519  -1.710   5.259
   54   1HB   PRO   8          HB2       PRO   8  -6.796  -1.554   5.566
   55   2HB   PRO   8          HB1       PRO   8  -7.735  -0.440   4.562
   56   1HG   PRO   8          HG2       PRO   8  -6.522   0.030   7.249
   57   2HG   PRO   8          HG1       PRO   8  -6.862   1.188   5.953
   58   1HD   PRO   8          HD2       PRO   8  -8.421   0.822   8.272
   59   2HD   PRO   8          HD1       PRO   8  -8.931   1.683   6.806
   60    H    ASP   9           HN       ASP   9  -8.275  -3.817   5.406
   61    HA   ASP   9           HA       ASP   9  -8.736  -5.050   8.012
   62   1HB   ASP   9          HB2       ASP   9  -7.434  -6.169   5.508
   63   2HB   ASP   9          HB1       ASP   9  -7.951  -7.111   6.907
   64    H    HIS  10           HN       HIS  10  -6.053  -3.629   6.339
   65    HA   HIS  10           HA       HIS  10  -4.326  -4.185   8.682
   66   1HB   HIS  10          HB2       HIS  10  -3.813  -5.063   5.848
   67   2HB   HIS  10          HB1       HIS  10  -2.471  -4.712   6.930
   68    HD1  HIS  10           HD1      HIS  10  -1.744  -6.629   8.368
   69    HD2  HIS  10           HD2      HIS  10  -5.699  -7.047   7.117
   70    HE1  HIS  10           HE1      HIS  10  -2.535  -8.875   9.233
   71    H    THR  11           HN       THR  11  -2.118  -2.916   8.248
   72    HA   THR  11           HA       THR  11  -2.576  -0.501   6.595
   73    HB   THR  11           HB       THR  11  -1.819  -0.382   9.514
   74    HG1  THR  11           HG1      THR  11  -4.205   0.541   8.325
   75   1HG2  THR  11          HG21      THR  11  -2.158   1.652   7.327
   76   2HG2  THR  11          HG22      THR  11  -0.851   1.498   8.502
   77   3HG2  THR  11          HG23      THR  11  -2.426   2.111   9.008
   78    H    LEU  12           HN       LEU  12  -0.548   0.748   6.346
   79    HA   LEU  12           HA       LEU  12   1.946  -0.661   7.139
   80   1HB   LEU  12          HB2       LEU  12   1.602  -1.629   4.971
   81   2HB   LEU  12          HB1       LEU  12   1.108  -0.080   4.294
   82    HG   LEU  12           HG       LEU  12   3.348   0.790   4.315
   83   1HD1  LEU  12          HD11      LEU  12   3.795  -1.397   6.349
   84   2HD1  LEU  12          HD12      LEU  12   4.152   0.323   6.474
   85   3HD1  LEU  12          HD13      LEU  12   5.157  -0.712   5.466
   86   1HD2  LEU  12          HD21      LEU  12   3.275  -0.762   2.540
   87   2HD2  LEU  12          HD22      LEU  12   3.273  -2.152   3.626
   88   3HD2  LEU  12          HD23      LEU  12   4.740  -1.199   3.416
   89    H    ASP  13           HN       ASP  13   3.037   1.012   8.147
   90    HA   ASP  13           HA       ASP  13   2.661   3.772   7.197
   91   1HB   ASP  13          HB2       ASP  13   3.090   3.090   9.647
   92   2HB   ASP  13          HB1       ASP  13   4.761   2.803   9.158
   93    H    ALA  14           HN       ALA  14   4.231   4.904   5.897
   94    HA   ALA  14           HA       ALA  14   6.719   3.420   5.306
   95   1HB   ALA  14          HB1       ALA  14   4.591   3.070   3.633
   96   2HB   ALA  14          HB2       ALA  14   6.281   2.867   3.178
   97   3HB   ALA  14          HB3       ALA  14   5.457   4.392   2.850
   98    H    LEU  15           HN       LEU  15   5.643   5.858   6.545
   99    HA   LEU  15           HA       LEU  15   6.809   8.096   5.112
  100   1HB   LEU  15          HB2       LEU  15   6.142   8.180   8.009
  101   2HB   LEU  15          HB1       LEU  15   5.887   9.372   6.747
  102    HG   LEU  15           HG       LEU  15   4.290   6.848   7.177
  103   1HD1  LEU  15          HD11      LEU  15   2.563   8.198   7.893
  104   2HD1  LEU  15          HD12      LEU  15   3.151   9.603   7.004
  105   3HD1  LEU  15          HD13      LEU  15   3.945   9.109   8.500
  106   1HD2  LEU  15          HD21      LEU  15   3.597   8.889   5.107
  107   2HD2  LEU  15          HD22      LEU  15   3.263   7.160   5.132
  108   3HD2  LEU  15          HD23      LEU  15   4.875   7.739   4.727
  109    H    GLY  16           HN       GLY  16   8.929   7.949   4.965
  110   1HA   GLY  16          HA2       GLY  16  11.131   8.276   5.975
  111   2HA   GLY  16          HA1       GLY  16  10.524   7.485   7.439
  112    H    LEU  17           HN       LEU  17   9.165   5.752   5.071
  113    HA   LEU  17           HA       LEU  17  11.231   3.647   5.143
  114   1HB   LEU  17          HB2       LEU  17   8.355   3.686   4.174
  115   2HB   LEU  17          HB1       LEU  17   9.416   2.287   4.053
  116    HG   LEU  17           HG       LEU  17   8.124   3.491   6.450
  117   1HD1  LEU  17          HD11      LEU  17   8.945   0.665   5.719
  118   2HD1  LEU  17          HD12      LEU  17   7.404   1.384   5.253
  119   3HD1  LEU  17          HD13      LEU  17   7.786   1.141   6.959
  120   1HD2  LEU  17          HD21      LEU  17  10.455   3.704   7.054
  121   2HD2  LEU  17          HD22      LEU  17  10.801   2.085   6.444
  122   3HD2  LEU  17          HD23      LEU  17   9.797   2.291   7.880
  123    H    ARG  18           HN       ARG  18  12.058   2.835   3.167
  124    HA   ARG  18           HA       ARG  18  11.137   4.276   0.753
  125   1HB   ARG  18          HB2       ARG  18  13.633   4.590   0.148
  126   2HB   ARG  18          HB1       ARG  18  12.864   5.691   1.293
  127   1HG   ARG  18          HG2       ARG  18  13.969   3.321   2.599
  128   2HG   ARG  18          HG1       ARG  18  15.201   4.265   1.760
  129   1HD   ARG  18          HD2       ARG  18  13.184   5.431   3.701
  130   2HD   ARG  18          HD1       ARG  18  14.843   5.007   4.124
  131    HE   ARG  18           HE       ARG  18  14.020   7.370   2.657
  132   1HH1  ARG  18          HH21      ARG  18  16.569   5.809   4.135
  133   2HH1  ARG  18          HH22      ARG  18  17.807   6.471   3.121
  134   1HH2  ARG  18          HH11      ARG  18  15.579   7.888   0.874
  135   2HH2  ARG  18          HH12      ARG  18  17.247   7.647   1.275
  136    H    CYS  19           HN       CYS  19  11.524   3.131  -1.149
  137    HA   CYS  19           HA       CYS  19  11.368   0.347  -1.051
  138   1HB   CYS  19          HB2       CYS  19  10.914   1.415  -3.116
  139   2HB   CYS  19          HB1       CYS  19  12.517   2.139  -3.192
  140    HG   CYS  19           HG       CYS  19  12.908  -0.808  -3.135
  141    HA   PRO  20           HA       PRO  20  11.771  -1.427  -1.744
  142   1HB   PRO  20          HB2       PRO  20  12.660  -3.841  -0.831
  143   2HB   PRO  20          HB1       PRO  20  13.156  -3.167  -2.393
  144   1HG   PRO  20          HG2       PRO  20  14.724  -3.406   0.123
  145   2HG   PRO  20          HG1       PRO  20  15.299  -3.295  -1.544
  146   1HD   PRO  20          HD2       PRO  20  15.219  -1.196   0.390
  147   2HD   PRO  20          HD1       PRO  20  15.638  -1.048  -1.331
  148    H    GLU  21           HN       GLU  21  12.925  -0.519   1.234
  149    HA   GLU  21           HA       GLU  21  11.908  -2.268   3.131
  150   1HB   GLU  21          HB2       GLU  21  12.225   0.677   3.180
  151   2HB   GLU  21          HB1       GLU  21  11.591  -0.170   4.582
  152   1HG   GLU  21          HG2       GLU  21  13.597  -1.581   4.658
  153   2HG   GLU  21          HG1       GLU  21  14.227  -0.789   3.213
  154    HA   PRO  22           HA       PRO  22   7.674  -0.126   3.227
  155   1HB   PRO  22          HB2       PRO  22   7.000   1.220   0.929
  156   2HB   PRO  22          HB1       PRO  22   7.700   1.994   2.342
  157   1HG   PRO  22          HG2       PRO  22   8.989   1.314  -0.255
  158   2HG   PRO  22          HG1       PRO  22   9.379   2.615   0.884
  159   1HD   PRO  22          HD2       PRO  22  10.805   0.232   0.635
  160   2HD   PRO  22          HD1       PRO  22  10.877   1.300   2.042
  161    H    VAL  23           HN       VAL  23   8.407  -0.605  -0.205
  162    HA   VAL  23           HA       VAL  23   6.268  -2.255  -0.942
  163    HB   VAL  23           HB       VAL  23   9.199  -2.352  -1.685
  164   1HG1  VAL  23          HG11      VAL  23   8.564  -4.546  -2.205
  165   2HG1  VAL  23          HG12      VAL  23   8.212  -3.698  -3.711
  166   3HG1  VAL  23          HG13      VAL  23   6.907  -4.080  -2.588
  167   1HG2  VAL  23          HG21      VAL  23   7.549  -0.423  -2.319
  168   2HG2  VAL  23          HG22      VAL  23   6.888  -1.591  -3.462
  169   3HG2  VAL  23          HG23      VAL  23   8.578  -1.104  -3.579
  170    H    MET  24           HN       MET  24   9.033  -2.913   1.117
  171    HA   MET  24           HA       MET  24   8.735  -5.810   1.073
  172   1HB   MET  24          HB2       MET  24  10.267  -3.852   2.760
  173   2HB   MET  24          HB1       MET  24  10.132  -5.533   3.275
  174   1HG   MET  24          HG2       MET  24  10.754  -5.519   0.489
  175   2HG   MET  24          HG1       MET  24  11.878  -4.428   1.300
  176   1HE   MET  24          HE1       MET  24  13.338  -6.365   4.121
  177   2HE   MET  24          HE2       MET  24  11.601  -6.411   4.409
  178   3HE   MET  24          HE3       MET  24  12.336  -4.958   3.736
  179    H    MET  25           HN       MET  25   7.669  -3.232   3.291
  180    HA   MET  25           HA       MET  25   6.533  -4.946   5.259
  181   1HB   MET  25          HB2       MET  25   6.045  -2.099   4.421
  182   2HB   MET  25          HB1       MET  25   4.960  -2.861   5.584
  183   1HG   MET  25          HG2       MET  25   7.600  -3.522   6.383
  184   2HG   MET  25          HG1       MET  25   7.597  -1.795   6.023
  185   1HE   MET  25          HE1       MET  25   8.268  -2.631   8.844
  186   2HE   MET  25          HE2       MET  25   7.419  -4.161   8.645
  187   3HE   MET  25          HE3       MET  25   6.958  -3.071   9.949
  188    H    VAL  26           HN       VAL  26   5.129  -3.519   2.306
  189    HA   VAL  26           HA       VAL  26   2.496  -4.577   2.702
  190    HB   VAL  26           HB       VAL  26   4.015  -3.924   0.166
  191   1HG1  VAL  26          HG11      VAL  26   1.111  -3.895  -0.038
  192   2HG1  VAL  26          HG12      VAL  26   1.693  -5.499   0.397
  193   3HG1  VAL  26          HG13      VAL  26   2.284  -4.715  -1.065
  194   1HG2  VAL  26          HG21      VAL  26   3.593  -1.859   1.054
  195   2HG2  VAL  26          HG22      VAL  26   2.303  -2.467   2.089
  196   3HG2  VAL  26          HG23      VAL  26   1.985  -2.139   0.386
  197    H    ARG  27           HN       ARG  27   5.468  -5.986   1.474
  198    HA   ARG  27           HA       ARG  27   4.261  -8.325   0.296
  199   1HB   ARG  27          HB2       ARG  27   6.901  -7.335   0.644
  200   2HB   ARG  27          HB1       ARG  27   6.841  -8.946   1.373
  201   1HG   ARG  27          HG2       ARG  27   5.396  -8.959  -1.120
  202   2HG   ARG  27          HG1       ARG  27   7.024  -8.333  -1.379
  203   1HD   ARG  27          HD2       ARG  27   8.006 -10.276  -0.351
  204   2HD   ARG  27          HD1       ARG  27   6.427 -10.858   0.174
  205    HE   ARG  27           HE       ARG  27   6.543 -10.548  -2.705
  206   1HH1  ARG  27          HH21      ARG  27   5.116 -12.783  -1.368
  207   2HH1  ARG  27          HH22      ARG  27   6.145 -14.138  -1.691
  208   1HH2  ARG  27          HH11      ARG  27   8.881 -12.190  -2.556
  209   2HH2  ARG  27          HH12      ARG  27   8.276 -13.803  -2.365
  210    H    LYS  28           HN       LYS  28   5.976  -7.938   3.368
  211    HA   LYS  28           HA       LYS  28   5.376 -10.497   4.436
  212   1HB   LYS  28          HB2       LYS  28   5.712  -7.880   5.941
  213   2HB   LYS  28          HB1       LYS  28   5.829  -9.493   6.648
  214   1HG   LYS  28          HG2       LYS  28   7.577  -9.699   4.549
  215   2HG   LYS  28          HG1       LYS  28   7.788  -8.010   5.014
  216   1HD   LYS  28          HD2       LYS  28   7.646  -9.800   7.325
  217   2HD   LYS  28          HD1       LYS  28   8.991 -10.184   6.251
  218   1HE   LYS  28          HE2       LYS  28   9.738  -8.537   7.880
  219   2HE   LYS  28          HE1       LYS  28   9.649  -7.767   6.295
  220   1HZ   LYS  28          HZ1       LYS  28   8.037  -7.322   8.665
  221   2HZ   LYS  28          HZ2       LYS  28   7.183  -7.347   7.196
  222   3HZ   LYS  28          HZ3       LYS  28   8.460  -6.249   7.421
  223    H    THR  29           HN       THR  29   3.595  -7.508   4.371
  224    HA   THR  29           HA       THR  29   1.400  -8.320   6.069
  225    HB   THR  29           HB       THR  29   2.090  -6.142   4.181
  226    HG1  THR  29           HG1      THR  29   1.305  -4.931   6.019
  227   1HG2  THR  29          HG21      THR  29  -0.761  -6.483   5.120
  228   2HG2  THR  29          HG22      THR  29  -0.213  -6.829   3.478
  229   3HG2  THR  29          HG23      THR  29  -0.120  -5.187   4.110
  230    H    VAL  30           HN       VAL  30   2.258  -8.458   2.720
  231    HA   VAL  30           HA       VAL  30  -0.274  -9.393   1.683
  232    HB   VAL  30           HB       VAL  30   2.594  -9.341   0.727
  233   1HG1  VAL  30          HG11      VAL  30   1.567 -11.426  -0.085
  234   2HG1  VAL  30          HG12      VAL  30   1.903 -10.291  -1.393
  235   3HG1  VAL  30          HG13      VAL  30   0.255 -10.483  -0.791
  236   1HG2  VAL  30          HG21      VAL  30   0.758  -7.384   0.673
  237   2HG2  VAL  30          HG22      VAL  30   0.312  -8.209  -0.819
  238   3HG2  VAL  30          HG23      VAL  30   1.948  -7.583  -0.614
  239    H    ARG  31           HN       ARG  31   2.491 -10.741   3.243
  240    HA   ARG  31           HA       ARG  31   1.950 -13.520   2.549
  241   1HB   ARG  31          HB2       ARG  31   3.731 -12.306   4.686
  242   2HB   ARG  31          HB1       ARG  31   3.727 -14.004   4.209
  243   1HG   ARG  31          HG2       ARG  31   4.248 -13.196   1.835
  244   2HG   ARG  31          HG1       ARG  31   4.560 -11.620   2.547
  245   1HD   ARG  31          HD2       ARG  31   6.664 -12.810   2.376
  246   2HD   ARG  31          HD1       ARG  31   6.222 -12.685   4.079
  247    HE   ARG  31           HE       ARG  31   5.525 -15.058   3.987
  248   1HH1  ARG  31          HH21      ARG  31   8.414 -14.493   2.776
  249   2HH1  ARG  31          HH22      ARG  31   8.421 -15.706   1.539
  250   1HH2  ARG  31          HH11      ARG  31   5.015 -16.319   1.747
  251   2HH2  ARG  31          HH12      ARG  31   6.498 -16.739   0.957
  252    H    ASN  32           HN       ASN  32   1.214 -11.247   5.152
  253    HA   ASN  32           HA       ASN  32  -0.155 -13.466   6.617
  254   1HB   ASN  32          HB2       ASN  32  -0.372 -11.790   8.472
  255   2HB   ASN  32          HB1       ASN  32   1.297 -12.154   8.041
  256   1HD2  ASN  32          HD21      ASN  32  -1.279  -9.809   7.062
  257   2HD2  ASN  32          HD22      ASN  32  -0.223  -8.489   6.934
  258    H    MET  33           HN       MET  33  -0.887 -11.361   4.234
  259    HA   MET  33           HA       MET  33  -3.522 -10.532   5.272
  260   1HB   MET  33          HB2       MET  33  -1.904  -9.928   2.841
  261   2HB   MET  33          HB1       MET  33  -3.657  -9.827   2.690
  262   1HG   MET  33          HG2       MET  33  -3.386  -8.485   4.984
  263   2HG   MET  33          HG1       MET  33  -1.800  -8.150   4.311
  264   1HE   MET  33          HE1       MET  33  -5.463  -8.461   3.620
  265   2HE   MET  33          HE2       MET  33  -5.004  -8.780   1.951
  266   3HE   MET  33          HE3       MET  33  -5.850  -7.290   2.354
  267    H    GLN  34           HN       GLN  34  -5.285 -10.846   3.382
  268    HA   GLN  34           HA       GLN  34  -5.196 -13.670   2.435
  269   1HB   GLN  34          HB2       GLN  34  -7.407 -12.338   4.029
  270   2HB   GLN  34          HB1       GLN  34  -7.638 -13.833   3.122
  271   1HG   GLN  34          HG2       GLN  34  -5.266 -14.164   4.642
  272   2HG   GLN  34          HG1       GLN  34  -6.475 -13.483   5.730
  273   1HE2  GLN  34          HE21      GLN  34  -5.606 -16.325   3.861
  274   2HE2  GLN  34          HE22      GLN  34  -6.892 -17.298   4.386
  275    HA   PRO  35           HA       PRO  35  -6.722 -11.867  -1.244
  276   1HB   PRO  35          HB2       PRO  35  -8.216 -13.968  -2.244
  277   2HB   PRO  35          HB1       PRO  35  -6.447 -13.892  -2.310
  278   1HG   PRO  35          HG2       PRO  35  -8.195 -15.494  -0.481
  279   2HG   PRO  35          HG1       PRO  35  -6.572 -15.864  -1.092
  280   1HD   PRO  35          HD2       PRO  35  -7.123 -14.902   1.480
  281   2HD   PRO  35          HD1       PRO  35  -5.539 -14.800   0.676
  282    H    GLY  36           HN       GLY  36  -8.358 -10.443  -1.501
  283   1HA   GLY  36          HA2       GLY  36 -10.655  -9.751  -1.630
  284   2HA   GLY  36          HA1       GLY  36 -11.092 -11.121  -0.598
  285    H    GLU  37           HN       GLU  37  -8.274  -9.245   0.205
  286    HA   GLU  37           HA       GLU  37  -9.806  -8.056   2.493
  287   1HB   GLU  37          HB2       GLU  37  -7.107  -9.331   2.315
  288   2HB   GLU  37          HB1       GLU  37  -7.349  -8.036   3.477
  289   1HG   GLU  37          HG2       GLU  37  -9.577  -9.483   3.963
  290   2HG   GLU  37          HG1       GLU  37  -8.497 -10.774   3.436
  291    H    THR  38           HN       THR  38  -8.159  -6.175   3.442
  292    HA   THR  38           HA       THR  38  -7.175  -4.592   1.138
  293    HB   THR  38           HB       THR  38  -8.380  -2.587   2.360
  294    HG1  THR  38           HG1      THR  38  -9.702  -3.250   3.828
  295   1HG2  THR  38          HG21      THR  38  -9.022  -4.384   0.196
  296   2HG2  THR  38          HG22      THR  38  -9.336  -2.653   0.326
  297   3HG2  THR  38          HG23      THR  38 -10.506  -3.811   0.959
  298    H    LEU  39           HN       LEU  39  -5.482  -3.278   1.597
  299    HA   LEU  39           HA       LEU  39  -4.584  -3.072   4.450
  300   1HB   LEU  39          HB2       LEU  39  -3.186  -4.742   3.411
  301   2HB   LEU  39          HB1       LEU  39  -2.975  -3.754   1.967
  302    HG   LEU  39           HG       LEU  39  -2.027  -2.011   3.768
  303   1HD1  LEU  39          HD11      LEU  39  -1.947  -4.698   5.067
  304   2HD1  LEU  39          HD12      LEU  39  -2.165  -3.106   5.791
  305   3HD1  LEU  39          HD13      LEU  39  -0.561  -3.628   5.282
  306   1HD2  LEU  39          HD21      LEU  39   0.260  -3.187   3.368
  307   2HD2  LEU  39          HD22      LEU  39  -0.645  -2.631   1.960
  308   3HD2  LEU  39          HD23      LEU  39  -0.673  -4.336   2.408
  309    H    LEU  40           HN       LEU  40  -4.542  -0.894   4.933
  310    HA   LEU  40           HA       LEU  40  -4.344   1.078   2.754
  311   1HB   LEU  40          HB2       LEU  40  -5.944   1.672   4.422
  312   2HB   LEU  40          HB1       LEU  40  -4.830   1.289   5.735
  313    HG   LEU  40           HG       LEU  40  -3.352   3.150   4.970
  314   1HD1  LEU  40          HD11      LEU  40  -4.819   2.958   2.633
  315   2HD1  LEU  40          HD12      LEU  40  -3.736   4.287   3.047
  316   3HD1  LEU  40          HD13      LEU  40  -5.463   4.422   3.375
  317   1HD2  LEU  40          HD21      LEU  40  -4.708   3.843   6.736
  318   2HD2  LEU  40          HD22      LEU  40  -6.196   3.593   5.824
  319   3HD2  LEU  40          HD23      LEU  40  -5.179   4.992   5.484
  320    H    ILE  41           HN       ILE  41  -2.576   2.582   2.628
  321    HA   ILE  41           HA       ILE  41  -0.243   1.947   4.368
  322    HB   ILE  41           HB       ILE  41   0.040   2.239   1.381
  323   1HG1  ILE  41          HG12      ILE  41  -0.786  -0.166   3.003
  324   2HG1  ILE  41          HG11      ILE  41  -1.412   0.400   1.463
  325   1HG2  ILE  41          HG21      ILE  41   1.826   1.997   3.558
  326   2HG2  ILE  41          HG22      ILE  41   2.220   1.923   1.842
  327   3HG2  ILE  41          HG23      ILE  41   1.866   0.443   2.729
  328   1HD1  ILE  41          HD11      ILE  41   1.019  -1.208   2.027
  329   2HD1  ILE  41          HD12      ILE  41   1.094  -0.073   0.682
  330   3HD1  ILE  41          HD13      ILE  41  -0.129  -1.346   0.698
  331    H    ILE  42           HN       ILE  42   1.340   3.646   4.465
  332    HA   ILE  42           HA       ILE  42   0.523   6.200   3.200
  333    HB   ILE  42           HB       ILE  42   1.861   6.048   5.902
  334   1HG1  ILE  42          HG12      ILE  42  -1.016   5.685   5.175
  335   2HG1  ILE  42          HG11      ILE  42  -0.108   5.007   6.526
  336   1HG2  ILE  42          HG21      ILE  42   1.146   8.343   6.070
  337   2HG2  ILE  42          HG22      ILE  42   0.106   8.186   4.656
  338   3HG2  ILE  42          HG23      ILE  42   1.855   8.154   4.472
  339   1HD1  ILE  42          HD11      ILE  42  -1.377   6.576   7.647
  340   2HD1  ILE  42          HD12      ILE  42  -1.417   7.677   6.269
  341   3HD1  ILE  42          HD13      ILE  42   0.040   7.549   7.254
  342    H    ALA  43           HN       ALA  43   2.456   7.572   2.892
  343    HA   ALA  43           HA       ALA  43   5.067   6.351   3.236
  344   1HB   ALA  43          HB1       ALA  43   5.346   5.367   1.227
  345   2HB   ALA  43          HB2       ALA  43   4.776   6.809   0.387
  346   3HB   ALA  43          HB3       ALA  43   3.620   5.599   0.944
  347    H    ASP  44           HN       ASP  44   6.462   7.996   3.423
  348    HA   ASP  44           HA       ASP  44   5.633  10.596   2.248
  349   1HB   ASP  44          HB2       ASP  44   7.019  11.714   3.862
  350   2HB   ASP  44          HB1       ASP  44   6.021  10.574   4.751
  351    H    ASP  45           HN       ASP  45   7.889   7.992   2.317
  352    HA   ASP  45           HA       ASP  45  10.070   9.255   0.962
  353   1HB   ASP  45          HB2       ASP  45  10.502   7.148   1.831
  354   2HB   ASP  45          HB1       ASP  45   8.994   6.504   1.216
  355    HA   PRO  46           HA       PRO  46   8.056  10.004  -2.898
  356   1HB   PRO  46          HB2       PRO  46  10.315  10.436  -4.405
  357   2HB   PRO  46          HB1       PRO  46   9.651  11.627  -3.271
  358   1HG   PRO  46          HG2       PRO  46  12.064   9.900  -2.985
  359   2HG   PRO  46          HG1       PRO  46  11.706  11.462  -2.229
  360   1HD   PRO  46          HD2       PRO  46  11.496   8.927  -0.985
  361   2HD   PRO  46          HD1       PRO  46  10.843  10.449  -0.362
  362    H    ALA  47           HN       ALA  47  10.345   7.497  -2.408
  363    HA   ALA  47           HA       ALA  47   9.888   6.285  -5.069
  364   1HB   ALA  47          HB1       ALA  47  11.965   6.161  -3.124
  365   2HB   ALA  47          HB2       ALA  47  11.920   5.388  -4.709
  366   3HB   ALA  47          HB3       ALA  47  11.305   4.535  -3.293
  367    H    THR  48           HN       THR  48   8.228   6.326  -2.188
  368    HA   THR  48           HA       THR  48   7.463   3.481  -2.208
  369    HB   THR  48           HB       THR  48   5.748   4.409  -0.465
  370    HG1  THR  48           HG1      THR  48   6.032   6.587  -1.029
  371   1HG2  THR  48          HG21      THR  48   7.277   3.356   0.795
  372   2HG2  THR  48          HG22      THR  48   8.118   4.896   0.947
  373   3HG2  THR  48          HG23      THR  48   8.570   3.767  -0.330
  374    H    THR  49           HN       THR  49   6.019   6.620  -3.031
  375    HA   THR  49           HA       THR  49   3.404   5.726  -3.649
  376    HB   THR  49           HB       THR  49   3.079   7.771  -4.679
  377    HG1  THR  49           HG1      THR  49   4.317   8.453  -6.266
  378   1HG2  THR  49          HG21      THR  49   4.129   9.329  -3.385
  379   2HG2  THR  49          HG22      THR  49   5.735   8.684  -3.730
  380   3HG2  THR  49          HG23      THR  49   4.707   7.899  -2.530
  381    H    ARG  50           HN       ARG  50   6.405   5.529  -5.459
  382    HA   ARG  50           HA       ARG  50   4.944   4.388  -7.781
  383   1HB   ARG  50          HB2       ARG  50   7.784   5.276  -7.334
  384   2HB   ARG  50          HB1       ARG  50   7.313   4.371  -8.773
  385   1HG   ARG  50          HG2       ARG  50   5.579   6.090  -9.257
  386   2HG   ARG  50          HG1       ARG  50   6.138   7.015  -7.863
  387   1HD   ARG  50          HD2       ARG  50   8.421   6.354  -9.446
  388   2HD   ARG  50          HD1       ARG  50   7.192   7.021 -10.520
  389    HE   ARG  50           HE       ARG  50   8.177   8.446  -8.079
  390   1HH1  ARG  50          HH21      ARG  50   5.870   8.692 -10.453
  391   2HH1  ARG  50          HH22      ARG  50   6.379  10.233 -11.060
  392   1HH2  ARG  50          HH11      ARG  50   9.317  10.284  -9.218
  393   2HH2  ARG  50          HH12      ARG  50   8.331  11.134 -10.360
  394    H    ASP  51           HN       ASP  51   7.364   3.376  -5.396
  395    HA   ASP  51           HA       ASP  51   7.633   0.753  -6.660
  396   1HB   ASP  51          HB2       ASP  51   8.712   1.877  -4.065
  397   2HB   ASP  51          HB1       ASP  51   9.117   0.279  -4.700
  398    H    ILE  52           HN       ILE  52   6.246   1.870  -3.545
  399    HA   ILE  52           HA       ILE  52   5.555  -0.650  -2.544
  400    HB   ILE  52           HB       ILE  52   4.505   2.094  -2.161
  401   1HG1  ILE  52          HG12      ILE  52   5.542  -0.152  -0.438
  402   2HG1  ILE  52          HG11      ILE  52   6.329   1.382  -0.810
  403   1HG2  ILE  52          HG21      ILE  52   2.407   0.780  -2.339
  404   2HG2  ILE  52          HG22      ILE  52   2.689   1.314  -0.683
  405   3HG2  ILE  52          HG23      ILE  52   3.029  -0.356  -1.141
  406   1HD1  ILE  52          HD11      ILE  52   4.479   0.773   1.316
  407   2HD1  ILE  52          HD12      ILE  52   3.806   2.036   0.284
  408   3HD1  ILE  52          HD13      ILE  52   5.387   2.258   1.033
  409    HA   PRO  53           HA       PRO  53   1.455  -0.566  -4.885
  410   1HB   PRO  53          HB2       PRO  53   1.299   1.156  -7.019
  411   2HB   PRO  53          HB1       PRO  53   0.687   1.504  -5.393
  412   1HG   PRO  53          HG2       PRO  53   3.123   2.549  -6.758
  413   2HG   PRO  53          HG1       PRO  53   2.164   3.282  -5.460
  414   1HD   PRO  53          HD2       PRO  53   4.638   1.972  -5.134
  415   2HD   PRO  53          HD1       PRO  53   3.502   2.376  -3.828
  416    H    GLY  54           HN       GLY  54   4.082   0.462  -7.093
  417   1HA   GLY  54          HA2       GLY  54   3.527  -1.320  -9.187
  418   2HA   GLY  54          HA1       GLY  54   5.175  -0.841  -8.740
  419    H    PHE  55           HN       PHE  55   4.684  -1.951  -5.955
  420    HA   PHE  55           HA       PHE  55   5.561  -4.671  -6.580
  421   1HB   PHE  55          HB2       PHE  55   6.627  -3.984  -4.647
  422   2HB   PHE  55          HB1       PHE  55   5.256  -3.014  -4.111
  423    HD1  PHE  55           HD1      PHE  55   5.372  -6.612  -5.144
  424    HD2  PHE  55           HD2      PHE  55   4.727  -3.810  -1.963
  425    HE1  PHE  55           HE1      PHE  55   4.590  -8.449  -3.696
  426    HE2  PHE  55           HE2      PHE  55   3.942  -5.659  -0.522
  427    HZ   PHE  55           HZ       PHE  55   3.860  -7.972  -1.389
  428    H    CYS  56           HN       CYS  56   2.720  -3.281  -4.842
  429    HA   CYS  56           HA       CYS  56   1.365  -5.715  -4.425
  430   1HB   CYS  56          HB2       CYS  56   0.389  -2.908  -4.926
  431   2HB   CYS  56          HB1       CYS  56  -0.727  -4.234  -4.593
  432    HG   CYS  56           HG       CYS  56   0.986  -2.850  -2.522
  433    H    THR  57           HN       THR  57   1.466  -3.700  -7.332
  434    HA   THR  57           HA       THR  57  -0.560  -5.123  -8.769
  435    HB   THR  57           HB       THR  57   1.889  -3.767  -9.930
  436    HG1  THR  57           HG1      THR  57   0.581  -2.488  -8.451
  437   1HG2  THR  57          HG21      THR  57   0.460  -5.232 -11.420
  438   2HG2  THR  57          HG22      THR  57   0.559  -3.543 -11.920
  439   3HG2  THR  57          HG23      THR  57  -0.881  -4.134 -11.091
  440    H    PHE  58           HN       PHE  58   2.885  -5.708  -8.302
  441    HA   PHE  58           HA       PHE  58   3.115  -7.785 -10.286
  442   1HB   PHE  58          HB2       PHE  58   4.963  -6.418  -9.035
  443   2HB   PHE  58          HB1       PHE  58   4.828  -7.690  -7.821
  444    HD1  PHE  58           HD1      PHE  58   6.537  -6.736 -10.716
  445    HD2  PHE  58           HD2      PHE  58   4.697 -10.167  -8.900
  446    HE1  PHE  58           HE1      PHE  58   7.934  -8.229 -12.120
  447    HE2  PHE  58           HE2      PHE  58   6.094 -11.659 -10.304
  448    HZ   PHE  58           HZ       PHE  58   7.712 -10.691 -11.914
  449    H    MET  59           HN       MET  59   2.362  -7.841  -6.799
  450    HA   MET  59           HA       MET  59   2.372 -10.742  -6.700
  451   1HB   MET  59          HB2       MET  59   1.762  -8.558  -4.828
  452   2HB   MET  59          HB1       MET  59   1.033 -10.119  -4.483
  453   1HG   MET  59          HG2       MET  59   3.980  -9.729  -5.055
  454   2HG   MET  59          HG1       MET  59   3.302  -9.783  -3.428
  455   1HE   MET  59          HE1       MET  59   5.535 -11.841  -3.956
  456   2HE   MET  59          HE2       MET  59   5.251 -11.484  -5.657
  457   3HE   MET  59          HE3       MET  59   5.175 -13.150  -5.091
  458    H    GLU  60           HN       GLU  60   0.313  -8.792  -8.278
  459    HA   GLU  60           HA       GLU  60  -1.757  -9.359  -9.278
  460   1HB   GLU  60          HB2       GLU  60  -0.984 -11.784  -8.558
  461   2HB   GLU  60          HB1       GLU  60  -2.218 -11.574  -7.314
  462   1HG   GLU  60          HG2       GLU  60  -3.353 -12.575  -9.152
  463   2HG   GLU  60          HG1       GLU  60  -3.792 -10.868  -9.213
  464    H    HIS  61           HN       HIS  61  -1.249  -7.778  -6.712
  465    HA   HIS  61           HA       HIS  61  -3.884  -7.995  -5.402
  466   1HB   HIS  61          HB2       HIS  61  -1.545  -6.173  -4.762
  467   2HB   HIS  61          HB1       HIS  61  -2.943  -6.499  -3.743
  468    HD1  HIS  61           HD1      HIS  61  -2.587  -9.642  -4.979
  469    HD2  HIS  61           HD2      HIS  61  -0.108  -7.437  -2.459
  470    HE1  HIS  61           HE1      HIS  61  -1.132 -11.313  -3.772
  471    H    GLU  62           HN       GLU  62  -4.844  -5.677  -4.886
  472    HA   GLU  62           HA       GLU  62  -4.696  -4.095  -7.418
  473   1HB   GLU  62          HB2       GLU  62  -6.968  -5.146  -5.854
  474   2HB   GLU  62          HB1       GLU  62  -7.164  -3.523  -6.494
  475   1HG   GLU  62          HG2       GLU  62  -6.164  -4.741  -8.686
  476   2HG   GLU  62          HG1       GLU  62  -6.927  -6.136  -7.921
  477    H    LEU  63           HN       LEU  63  -4.848  -1.889  -7.260
  478    HA   LEU  63           HA       LEU  63  -4.215  -0.701  -4.621
  479   1HB   LEU  63          HB2       LEU  63  -2.857   0.305  -6.255
  480   2HB   LEU  63          HB1       LEU  63  -4.102   0.202  -7.493
  481    HG   LEU  63           HG       LEU  63  -5.390   1.942  -6.060
  482   1HD1  LEU  63          HD11      LEU  63  -2.918   1.627  -4.554
  483   2HD1  LEU  63          HD12      LEU  63  -4.396   2.477  -4.104
  484   3HD1  LEU  63          HD13      LEU  63  -3.160   3.301  -5.054
  485   1HD2  LEU  63          HD21      LEU  63  -3.001   3.333  -7.026
  486   2HD2  LEU  63          HD22      LEU  63  -4.665   3.429  -7.602
  487   3HD2  LEU  63          HD23      LEU  63  -3.608   2.138  -8.172
  488    H    VAL  64           HN       VAL  64  -6.186  -0.686  -3.470
  489    HA   VAL  64           HA       VAL  64  -8.677  -0.322  -4.781
  490    HB   VAL  64           HB       VAL  64  -7.790  -0.248  -1.897
  491   1HG1  VAL  64          HG11      VAL  64 -10.270  -0.628  -1.503
  492   2HG1  VAL  64          HG12      VAL  64 -10.520  -0.094  -3.165
  493   3HG1  VAL  64          HG13      VAL  64  -9.819   1.008  -1.980
  494   1HG2  VAL  64          HG21      VAL  64  -8.004  -2.317  -3.693
  495   2HG2  VAL  64          HG22      VAL  64  -9.590  -2.333  -2.922
  496   3HG2  VAL  64          HG23      VAL  64  -8.131  -2.486  -1.943
  497    H    ALA  65           HN       ALA  65  -6.744   1.976  -2.729
  498    HA   ALA  65           HA       ALA  65  -8.034   4.135  -4.334
  499   1HB   ALA  65          HB1       ALA  65  -8.131   5.203  -1.778
  500   2HB   ALA  65          HB2       ALA  65  -8.664   3.539  -1.542
  501   3HB   ALA  65          HB3       ALA  65  -9.509   4.582  -2.687
  502    H    LYS  66           HN       LYS  66  -6.487   5.736  -4.813
  503    HA   LYS  66           HA       LYS  66  -3.953   5.530  -3.317
  504   1HB   LYS  66          HB2       LYS  66  -4.333   7.327  -5.652
  505   2HB   LYS  66          HB1       LYS  66  -2.907   6.409  -5.170
  506   1HG   LYS  66          HG2       LYS  66  -3.605   5.091  -6.860
  507   2HG   LYS  66          HG1       LYS  66  -4.584   4.381  -5.605
  508   1HD   LYS  66          HD2       LYS  66  -6.355   4.829  -6.941
  509   2HD   LYS  66          HD1       LYS  66  -6.118   6.515  -6.479
  510   1HE   LYS  66          HE2       LYS  66  -4.443   6.664  -8.402
  511   2HE   LYS  66          HE1       LYS  66  -5.060   5.101  -8.934
  512   1HZ   LYS  66          HZ1       LYS  66  -6.647   6.235  -9.964
  513   2HZ   LYS  66          HZ2       LYS  66  -6.229   7.689  -9.191
  514   3HZ   LYS  66          HZ3       LYS  66  -7.294   6.600  -8.439
  515    H    GLU  67           HN       GLU  67  -2.863   7.491  -2.756
  516    HA   GLU  67           HA       GLU  67  -4.607   9.838  -2.296
  517   1HB   GLU  67          HB2       GLU  67  -3.271   8.144  -0.303
  518   2HB   GLU  67          HB1       GLU  67  -3.237   9.861  -0.013
  519   1HG   GLU  67          HG2       GLU  67  -5.869   9.208  -0.852
  520   2HG   GLU  67          HG1       GLU  67  -5.409   8.032   0.380
  521    H    THR  68           HN       THR  68  -3.569  11.413  -3.402
  522    HA   THR  68           HA       THR  68  -0.644  11.794  -2.918
  523    HB   THR  68           HB       THR  68  -0.266  12.259  -5.271
  524    HG1  THR  68           HG1      THR  68  -3.042  11.749  -5.542
  525   1HG2  THR  68          HG21      THR  68   0.032  10.054  -5.570
  526   2HG2  THR  68          HG22      THR  68  -1.683   9.874  -5.937
  527   3HG2  THR  68          HG23      THR  68  -1.116   9.721  -4.274
  528    H    ASP  69           HN       ASP  69  -3.072  13.033  -1.820
  529    HA   ASP  69           HA       ASP  69  -3.370  15.626  -3.121
  530   1HB   ASP  69          HB2       ASP  69  -4.239  14.686  -0.383
  531   2HB   ASP  69          HB1       ASP  69  -4.761  16.184  -1.155
  532    H    GLY  70           HN       GLY  70  -0.858  14.422  -1.543
  533   1HA   GLY  70          HA2       GLY  70   0.938  16.205  -1.265
  534   2HA   GLY  70          HA1       GLY  70  -0.177  16.897  -0.117
  535    H    LEU  71           HN       LEU  71   2.454  15.273  -0.223
  536    HA   LEU  71           HA       LEU  71   2.524  12.945   1.124
  537   1HB   LEU  71          HB2       LEU  71   4.162  15.364   1.898
  538   2HB   LEU  71          HB1       LEU  71   4.541  13.707   2.319
  539    HG   LEU  71           HG       LEU  71   4.060  14.274  -0.531
  540   1HD1  LEU  71          HD11      LEU  71   6.834  14.710   0.433
  541   2HD1  LEU  71          HD12      LEU  71   5.694  16.024   0.718
  542   3HD1  LEU  71          HD13      LEU  71   5.991  15.455  -0.925
  543   1HD2  LEU  71          HD21      LEU  71   4.548  12.018   0.051
  544   2HD2  LEU  71          HD22      LEU  71   5.862  12.508   1.122
  545   3HD2  LEU  71          HD23      LEU  71   6.047  12.657  -0.625
  546    HA   PRO  72           HA       PRO  72   3.392  11.886   2.526
  547   1HB   PRO  72          HB2       PRO  72   2.424   9.853   4.057
  548   2HB   PRO  72          HB1       PRO  72   3.665  10.977   4.642
  549   1HG   PRO  72          HG2       PRO  72   0.769  10.856   5.302
  550   2HG   PRO  72          HG1       PRO  72   2.112  11.428   6.310
  551   1HD   PRO  72          HD2       PRO  72   0.292  13.073   4.901
  552   2HD   PRO  72          HD1       PRO  72   1.856  13.599   5.564
  553    H    TYR  73           HN       TYR  73   2.812  10.288   1.027
  554    HA   TYR  73           HA       TYR  73   0.199  10.377  -0.146
  555   1HB   TYR  73          HB2       TYR  73   2.096   8.144  -0.599
  556   2HB   TYR  73          HB1       TYR  73   0.990   8.886  -1.747
  557    HD1  TYR  73           HD1      TYR  73   4.251   8.768  -0.441
  558    HD2  TYR  73           HD2      TYR  73   1.484  11.342  -2.427
  559    HE1  TYR  73           HE1      TYR  73   6.151  10.118  -1.274
  560    HE2  TYR  73           HE2      TYR  73   3.348  12.752  -3.234
  561    HH   TYR  73           HH       TYR  73   5.573  12.953  -3.386
  562    H    ARG  74           HN       ARG  74  -1.145   8.356  -0.495
  563    HA   ARG  74           HA       ARG  74  -0.712   6.235   1.453
  564   1HB   ARG  74          HB2       ARG  74  -3.020   8.134   1.549
  565   2HB   ARG  74          HB1       ARG  74  -3.264   6.436   1.968
  566   1HG   ARG  74          HG2       ARG  74  -1.957   6.536   3.810
  567   2HG   ARG  74          HG1       ARG  74  -0.912   7.764   3.143
  568   1HD   ARG  74          HD2       ARG  74  -3.733   8.550   3.665
  569   2HD   ARG  74          HD1       ARG  74  -2.703   8.310   5.076
  570    HE   ARG  74           HE       ARG  74  -1.262   9.929   3.255
  571   1HH1  ARG  74          HH11      ARG  74  -2.054  10.542   6.161
  572   2HH1  ARG  74          HH12      ARG  74  -2.955  12.006   5.946
  573   1HH2  ARG  74          HH21      ARG  74  -3.325  11.588   2.525
  574   2HH2  ARG  74          HH22      ARG  74  -3.675  12.598   3.888
  575    H    TYR  75           HN       TYR  75  -1.858   4.346   0.857
  576    HA   TYR  75           HA       TYR  75  -3.369   4.444  -1.642
  577   1HB   TYR  75          HB2       TYR  75  -1.154   2.493  -1.639
  578   2HB   TYR  75          HB1       TYR  75  -1.933   3.311  -2.994
  579    HD1  TYR  75           HD1      TYR  75  -1.465   5.878  -3.230
  580    HD2  TYR  75           HD2      TYR  75   0.802   3.227  -0.807
  581    HE1  TYR  75           HE1      TYR  75   0.445   7.456  -3.336
  582    HE2  TYR  75           HE2      TYR  75   2.742   4.793  -0.873
  583    HH   TYR  75           HH       TYR  75   3.474   6.766  -1.579
  584    H    LEU  76           HN       LEU  76  -5.034   2.992  -1.337
  585    HA   LEU  76           HA       LEU  76  -4.676   1.021   0.728
  586   1HB   LEU  76          HB2       LEU  76  -6.853   2.141   0.602
  587   2HB   LEU  76          HB1       LEU  76  -7.074   1.545  -1.027
  588    HG   LEU  76           HG       LEU  76  -6.659  -0.784  -0.011
  589   1HD1  LEU  76          HD11      LEU  76  -7.377   0.797   2.463
  590   2HD1  LEU  76          HD12      LEU  76  -5.835  -0.003   2.158
  591   3HD1  LEU  76          HD13      LEU  76  -7.301  -0.962   2.362
  592   1HD2  LEU  76          HD21      LEU  76  -8.832  -0.921  -0.401
  593   2HD2  LEU  76          HD22      LEU  76  -8.927   0.842  -0.366
  594   3HD2  LEU  76          HD23      LEU  76  -9.178  -0.087   1.112
  595    H    ILE  77           HN       ILE  77  -4.806  -1.328   0.119
  596    HA   ILE  77           HA       ILE  77  -4.917  -1.826  -2.775
  597    HB   ILE  77           HB       ILE  77  -2.676  -2.840  -1.026
  598   1HG1  ILE  77          HG12      ILE  77  -2.925  -0.434  -2.820
  599   2HG1  ILE  77          HG11      ILE  77  -2.304  -0.516  -1.177
  600   1HG2  ILE  77          HG21      ILE  77  -3.563  -3.988  -3.264
  601   2HG2  ILE  77          HG22      ILE  77  -1.838  -3.870  -2.932
  602   3HG2  ILE  77          HG23      ILE  77  -2.606  -2.714  -4.020
  603   1HD1  ILE  77          HD11      ILE  77  -0.929  -1.924  -3.472
  604   2HD1  ILE  77          HD12      ILE  77  -0.282  -1.549  -1.876
  605   3HD1  ILE  77          HD13      ILE  77  -0.564  -0.255  -3.040
  606    H    ARG  78           HN       ARG  78  -6.662  -3.259  -2.800
  607    HA   ARG  78           HA       ARG  78  -7.036  -5.100  -0.562
  608   1HB   ARG  78          HB2       ARG  78  -8.941  -5.931  -1.732
  609   2HB   ARG  78          HB1       ARG  78  -8.889  -4.203  -2.078
  610   1HG   ARG  78          HG2       ARG  78  -7.515  -4.847  -4.153
  611   2HG   ARG  78          HG1       ARG  78  -8.076  -6.493  -3.862
  612   1HD   ARG  78          HD2       ARG  78  -9.964  -4.136  -4.063
  613   2HD   ARG  78          HD1       ARG  78  -9.507  -5.111  -5.460
  614    HE   ARG  78           HE       ARG  78 -11.383  -5.893  -3.403
  615   1HH1  ARG  78          HH11      ARG  78 -11.583  -6.935  -6.151
  616   2HH1  ARG  78          HH12      ARG  78 -11.036  -8.570  -5.991
  617   1HH2  ARG  78          HH21      ARG  78  -9.522  -8.044  -2.916
  618   2HH2  ARG  78          HH22      ARG  78  -9.870  -9.199  -4.160
  619    H    LYS  79           HN       LYS  79  -5.835  -6.916  -0.260
  620    HA   LYS  79           HA       LYS  79  -4.054  -7.932  -2.304
  621   1HB   LYS  79          HB2       LYS  79  -3.639  -8.260   0.136
  622   2HB   LYS  79          HB1       LYS  79  -5.024  -9.356   0.190
  623   1HG   LYS  79          HG2       LYS  79  -3.973 -10.830  -1.450
  624   2HG   LYS  79          HG1       LYS  79  -2.618  -9.715  -1.623
  625   1HD   LYS  79          HD2       LYS  79  -1.608 -10.918  -0.003
  626   2HD   LYS  79          HD1       LYS  79  -2.739 -10.152   1.109
  627   1HE   LYS  79          HE2       LYS  79  -3.870 -12.081   1.430
  628   2HE   LYS  79          HE1       LYS  79  -3.959 -12.392  -0.304
  629   1HZ   LYS  79          HZ1       LYS  79  -1.595 -13.114  -0.166
  630   2HZ   LYS  79          HZ2       LYS  79  -2.682 -14.116   0.671
  631   3HZ   LYS  79          HZ3       LYS  79  -1.708 -13.015   1.524
  632    H    GLY  80           HN       GLY  80  -4.959  -8.772  -4.116
  633   1HA   GLY  80          HA2       GLY  80  -6.199 -11.253  -4.257
  634   2HA   GLY  80          HA1       GLY  80  -7.531 -10.102  -4.135
  635    H    GLY  81           HN       GLY  81  -7.304 -11.571  -6.439
  636   1HA   GLY  81          HA2       GLY  81  -7.005  -9.472  -8.434
  637   2HA   GLY  81          HA1       GLY  81  -5.765 -10.720  -8.571
  Start of MODEL   19
    1   1H    MET   1          HT1       MET   1 -20.185  10.635   1.148
    2   2H    MET   1          HT2       MET   1 -19.272  11.170  -0.182
    3   3H    MET   1          HT3       MET   1 -19.997  12.296   0.863
    4    HA   MET   1           HA       MET   1 -17.529  11.939   1.154
    5   1HB   MET   1          HB2       MET   1 -19.690  12.081   3.130
    6   2HB   MET   1          HB1       MET   1 -18.194  11.423   3.794
    7   1HG   MET   1          HG2       MET   1 -17.707  13.652   4.057
    8   2HG   MET   1          HG1       MET   1 -17.162  13.473   2.390
    9   1HE   MET   1          HE1       MET   1 -18.948  16.993   2.773
   10   2HE   MET   1          HE2       MET   1 -17.415  16.166   2.503
   11   3HE   MET   1          HE3       MET   1 -18.185  16.086   4.086
   12    H    THR   2           HN       THR   2 -18.619   9.331   0.152
   13    HA   THR   2           HA       THR   2 -17.650   7.391   2.156
   14    HB   THR   2           HB       THR   2 -18.575   5.720   0.775
   15    HG1  THR   2           HG1      THR   2 -19.206   6.564  -1.476
   16   1HG2  THR   2          HG21      THR   2 -20.518   7.551  -0.321
   17   2HG2  THR   2          HG22      THR   2 -20.081   8.046   1.314
   18   3HG2  THR   2          HG23      THR   2 -20.696   6.420   1.020
   19    H    ASP   3           HN       ASP   3 -15.534   6.828   2.220
   20    HA   ASP   3           HA       ASP   3 -13.910   7.218  -0.263
   21   1HB   ASP   3          HB2       ASP   3 -13.436   7.866   2.564
   22   2HB   ASP   3          HB1       ASP   3 -12.099   6.995   1.810
   23    H    LEU   4           HN       LEU   4 -12.532   5.522  -0.902
   24    HA   LEU   4           HA       LEU   4 -13.338   2.860  -0.070
   25   1HB   LEU   4          HB2       LEU   4 -10.920   3.621  -1.730
   26   2HB   LEU   4          HB1       LEU   4 -11.763   2.072  -1.716
   27    HG   LEU   4           HG       LEU   4 -13.361   4.513  -2.355
   28   1HD1  LEU   4          HD11      LEU   4 -11.817   5.078  -3.948
   29   2HD1  LEU   4          HD12      LEU   4 -12.589   3.768  -4.843
   30   3HD1  LEU   4          HD13      LEU   4 -11.091   3.471  -3.960
   31   1HD2  LEU   4          HD21      LEU   4 -13.407   1.906  -3.835
   32   2HD2  LEU   4          HD22      LEU   4 -14.743   2.986  -3.432
   33   3HD2  LEU   4          HD23      LEU   4 -14.041   1.950  -2.190
   34    H    PHE   5           HN       PHE   5 -11.273   5.115   1.300
   35    HA   PHE   5           HA       PHE   5  -9.289   3.184   2.289
   36   1HB   PHE   5          HB2       PHE   5  -9.674   6.137   2.442
   37   2HB   PHE   5          HB1       PHE   5  -8.749   5.368   3.733
   38    HD1  PHE   5           HD1      PHE   5  -6.757   6.666   2.877
   39    HD2  PHE   5           HD2      PHE   5  -8.739   3.682   0.521
   40    HE1  PHE   5           HE1      PHE   5  -4.798   6.500   1.376
   41    HE2  PHE   5           HE2      PHE   5  -6.750   3.544  -0.948
   42    HZ   PHE   5           HZ       PHE   5  -4.786   5.003  -0.547
   43    H    SER   6           HN       SER   6 -12.328   3.255   2.986
   44    HA   SER   6           HA       SER   6 -12.817   3.906   5.643
   45   1HB   SER   6          HB2       SER   6 -13.670   1.420   4.133
   46   2HB   SER   6          HB1       SER   6 -14.336   1.896   5.693
   47    HG   SER   6           HG       SER   6 -15.545   2.641   3.840
   48    H    SER   7           HN       SER   7 -12.981   2.132   7.491
   49    HA   SER   7           HA       SER   7 -10.439   1.513   8.420
   50   1HB   SER   7          HB2       SER   7 -11.490  -0.117   9.906
   51   2HB   SER   7          HB1       SER   7 -12.534   1.294   9.752
   52    HG   SER   7           HG       SER   7 -13.629  -0.745   9.502
   53    HA   PRO   8           HA       PRO   8  -9.490  -1.568   5.255
   54   1HB   PRO   8          HB2       PRO   8  -6.774  -1.394   5.624
   55   2HB   PRO   8          HB1       PRO   8  -7.701  -0.290   4.596
   56   1HG   PRO   8          HG2       PRO   8  -6.549   0.192   7.308
   57   2HG   PRO   8          HG1       PRO   8  -6.873   1.347   6.004
   58   1HD   PRO   8          HD2       PRO   8  -8.477   0.973   8.292
   59   2HD   PRO   8          HD1       PRO   8  -8.969   1.819   6.811
   60    H    ASP   9           HN       ASP   9  -8.299  -3.676   5.405
   61    HA   ASP   9           HA       ASP   9  -8.746  -4.900   8.021
   62   1HB   ASP   9          HB2       ASP   9  -7.581  -6.018   5.451
   63   2HB   ASP   9          HB1       ASP   9  -7.970  -6.977   6.881
   64    H    HIS  10           HN       HIS  10  -6.059  -3.555   6.282
   65    HA   HIS  10           HA       HIS  10  -4.307  -4.153   8.597
   66   1HB   HIS  10          HB2       HIS  10  -3.883  -5.056   5.762
   67   2HB   HIS  10          HB1       HIS  10  -2.500  -4.709   6.792
   68    HD1  HIS  10           HD1      HIS  10  -1.784  -6.579   8.310
   69    HD2  HIS  10           HD2      HIS  10  -5.741  -7.001   7.068
   70    HE1  HIS  10           HE1      HIS  10  -2.599  -8.785   9.254
   71    H    THR  11           HN       THR  11  -2.088  -2.933   8.162
   72    HA   THR  11           HA       THR  11  -2.494  -0.497   6.522
   73    HB   THR  11           HB       THR  11  -1.742  -0.421   9.444
   74    HG1  THR  11           HG1      THR  11  -3.778  -0.109   9.838
   75   1HG2  THR  11          HG21      THR  11  -2.337   1.794   7.462
   76   2HG2  THR  11          HG22      THR  11  -0.734   1.362   8.059
   77   3HG2  THR  11          HG23      THR  11  -1.940   2.017   9.166
   78    H    LEU  12           HN       LEU  12  -0.434   0.727   6.305
   79    HA   LEU  12           HA       LEU  12   2.020  -0.738   7.089
   80   1HB   LEU  12          HB2       LEU  12   1.708  -1.698   4.931
   81   2HB   LEU  12          HB1       LEU  12   1.193  -0.162   4.249
   82    HG   LEU  12           HG       LEU  12   3.417   0.736   4.244
   83   1HD1  LEU  12          HD11      LEU  12   5.247  -0.743   5.424
   84   2HD1  LEU  12          HD12      LEU  12   3.884  -1.387   6.338
   85   3HD1  LEU  12          HD13      LEU  12   4.253   0.334   6.397
   86   1HD2  LEU  12          HD21      LEU  12   3.465  -0.803   2.494
   87   2HD2  LEU  12          HD22      LEU  12   3.321  -2.194   3.568
   88   3HD2  LEU  12          HD23      LEU  12   4.847  -1.320   3.455
   89    H    ASP  13           HN       ASP  13   3.017   0.911   8.182
   90    HA   ASP  13           HA       ASP  13   2.771   3.692   7.320
   91   1HB   ASP  13          HB2       ASP  13   3.228   2.879   9.721
   92   2HB   ASP  13          HB1       ASP  13   4.879   2.565   9.185
   93    H    ALA  14           HN       ALA  14   4.172   4.733   5.868
   94    HA   ALA  14           HA       ALA  14   6.709   3.331   5.246
   95   1HB   ALA  14          HB1       ALA  14   5.387   4.408   2.863
   96   2HB   ALA  14          HB2       ALA  14   4.575   3.019   3.585
   97   3HB   ALA  14          HB3       ALA  14   6.262   2.892   3.090
   98    H    LEU  15           HN       LEU  15   5.537   5.710   6.576
   99    HA   LEU  15           HA       LEU  15   6.651   8.033   5.254
  100   1HB   LEU  15          HB2       LEU  15   5.922   7.826   8.162
  101   2HB   LEU  15          HB1       LEU  15   5.859   9.203   7.082
  102    HG   LEU  15           HG       LEU  15   4.114   6.792   6.674
  103   1HD1  LEU  15          HD11      LEU  15   2.309   8.098   7.730
  104   2HD1  LEU  15          HD12      LEU  15   3.461   9.375   8.122
  105   3HD1  LEU  15          HD13      LEU  15   3.613   7.788   8.877
  106   1HD2  LEU  15          HD21      LEU  15   4.629   9.330   5.325
  107   2HD2  LEU  15          HD22      LEU  15   2.922   9.098   5.699
  108   3HD2  LEU  15          HD23      LEU  15   3.781   7.899   4.734
  109    H    GLY  16           HN       GLY  16   8.786   7.931   5.082
  110   1HA   GLY  16          HA2       GLY  16  10.987   8.262   6.078
  111   2HA   GLY  16          HA1       GLY  16  10.402   7.443   7.534
  112    H    LEU  17           HN       LEU  17   9.075   5.695   5.158
  113    HA   LEU  17           HA       LEU  17  11.185   3.637   5.220
  114   1HB   LEU  17          HB2       LEU  17   8.332   3.631   4.190
  115   2HB   LEU  17          HB1       LEU  17   9.424   2.258   4.071
  116    HG   LEU  17           HG       LEU  17   8.047   3.391   6.455
  117   1HD1  LEU  17          HD11      LEU  17   7.238   1.341   5.449
  118   2HD1  LEU  17          HD12      LEU  17   8.038   0.906   6.961
  119   3HD1  LEU  17          HD13      LEU  17   8.864   0.659   5.421
  120   1HD2  LEU  17          HD21      LEU  17   9.763   2.069   7.838
  121   2HD2  LEU  17          HD22      LEU  17  10.250   3.662   7.254
  122   3HD2  LEU  17          HD23      LEU  17  10.816   2.208   6.430
  123    H    ARG  18           HN       ARG  18  12.076   2.877   3.250
  124    HA   ARG  18           HA       ARG  18  11.167   4.332   0.841
  125   1HB   ARG  18          HB2       ARG  18  13.651   4.729   0.276
  126   2HB   ARG  18          HB1       ARG  18  12.852   5.779   1.447
  127   1HG   ARG  18          HG2       ARG  18  13.789   4.478   3.300
  128   2HG   ARG  18          HG1       ARG  18  14.546   3.369   2.157
  129   1HD   ARG  18          HD2       ARG  18  15.996   5.092   1.317
  130   2HD   ARG  18          HD1       ARG  18  15.115   6.341   2.197
  131    HE   ARG  18           HE       ARG  18  16.516   4.194   3.718
  132   1HH1  ARG  18          HH11      ARG  18  17.704   6.876   2.366
  133   2HH1  ARG  18          HH12      ARG  18  17.965   7.782   3.819
  134   1HH2  ARG  18          HH21      ARG  18  16.125   5.620   5.811
  135   2HH2  ARG  18          HH22      ARG  18  17.070   7.071   5.769
  136    H    CYS  19           HN       CYS  19  11.616   3.231  -1.069
  137    HA   CYS  19           HA       CYS  19  11.505   0.447  -1.020
  138   1HB   CYS  19          HB2       CYS  19  11.076   1.543  -3.075
  139   2HB   CYS  19          HB1       CYS  19  12.669   2.293  -3.107
  140    HG   CYS  19           HG       CYS  19  12.021  -0.483  -4.132
  141    HA   PRO  20           HA       PRO  20  11.944  -1.306  -1.733
  142   1HB   PRO  20          HB2       PRO  20  12.848  -3.724  -0.841
  143   2HB   PRO  20          HB1       PRO  20  13.362  -3.017  -2.383
  144   1HG   PRO  20          HG2       PRO  20  14.887  -3.277   0.157
  145   2HG   PRO  20          HG1       PRO  20  15.491  -3.131  -1.498
  146   1HD   PRO  20          HD2       PRO  20  15.350  -1.064   0.467
  147   2HD   PRO  20          HD1       PRO  20  15.797  -0.885  -1.243
  148    H    GLU  21           HN       GLU  21  13.032  -0.432   1.282
  149    HA   GLU  21           HA       GLU  21  12.000  -2.224   3.131
  150   1HB   GLU  21          HB2       GLU  21  12.291   0.722   3.228
  151   2HB   GLU  21          HB1       GLU  21  11.615  -0.141   4.600
  152   1HG   GLU  21          HG2       GLU  21  13.822  -1.666   3.991
  153   2HG   GLU  21          HG1       GLU  21  14.393  -0.036   3.630
  154    HA   PRO  22           HA       PRO  22   7.739  -0.119   3.184
  155   1HB   PRO  22          HB2       PRO  22   7.094   1.237   0.875
  156   2HB   PRO  22          HB1       PRO  22   7.753   2.008   2.314
  157   1HG   PRO  22          HG2       PRO  22   9.107   1.362  -0.258
  158   2HG   PRO  22          HG1       PRO  22   9.457   2.659   0.899
  159   1HD   PRO  22          HD2       PRO  22  10.918   0.299   0.659
  160   2HD   PRO  22          HD1       PRO  22  10.943   1.350   2.081
  161    H    VAL  23           HN       VAL  23   8.511  -0.557  -0.244
  162    HA   VAL  23           HA       VAL  23   6.390  -2.230  -0.996
  163    HB   VAL  23           HB       VAL  23   9.321  -2.366  -1.754
  164   1HG1  VAL  23          HG11      VAL  23   8.558  -4.448  -2.464
  165   2HG1  VAL  23          HG12      VAL  23   8.192  -3.456  -3.876
  166   3HG1  VAL  23          HG13      VAL  23   6.915  -3.870  -2.731
  167   1HG2  VAL  23          HG21      VAL  23   8.812  -0.891  -3.489
  168   2HG2  VAL  23          HG22      VAL  23   7.747  -0.295  -2.216
  169   3HG2  VAL  23          HG23      VAL  23   7.103  -1.326  -3.494
  170    H    MET  24           HN       MET  24   9.170  -2.864   1.049
  171    HA   MET  24           HA       MET  24   8.912  -5.770   0.970
  172   1HB   MET  24          HB2       MET  24  10.433  -3.809   2.669
  173   2HB   MET  24          HB1       MET  24  10.337  -5.503   3.148
  174   1HG   MET  24          HG2       MET  24  10.930  -5.364   0.341
  175   2HG   MET  24          HG1       MET  24  12.071  -4.345   1.219
  176   1HE   MET  24          HE1       MET  24  14.662  -6.692   1.769
  177   2HE   MET  24          HE2       MET  24  14.081  -5.425   2.846
  178   3HE   MET  24          HE3       MET  24  14.012  -5.188   1.102
  179    H    MET  25           HN       MET  25   7.831  -3.207   3.186
  180    HA   MET  25           HA       MET  25   6.739  -4.924   5.178
  181   1HB   MET  25          HB2       MET  25   6.280  -2.082   4.344
  182   2HB   MET  25          HB1       MET  25   5.146  -2.829   5.470
  183   1HG   MET  25          HG2       MET  25   7.598  -3.596   6.487
  184   2HG   MET  25          HG1       MET  25   7.914  -1.960   5.912
  185   1HE   MET  25          HE1       MET  25   7.433  -0.809   9.409
  186   2HE   MET  25          HE2       MET  25   8.359  -0.811   7.911
  187   3HE   MET  25          HE3       MET  25   8.308  -2.263   8.908
  188    H    VAL  26           HN       VAL  26   5.289  -3.503   2.239
  189    HA   VAL  26           HA       VAL  26   2.667  -4.577   2.655
  190    HB   VAL  26           HB       VAL  26   4.174  -3.926   0.111
  191   1HG1  VAL  26          HG11      VAL  26   1.909  -5.556   0.310
  192   2HG1  VAL  26          HG12      VAL  26   2.441  -4.699  -1.134
  193   3HG1  VAL  26          HG13      VAL  26   1.255  -3.964  -0.060
  194   1HG2  VAL  26          HG21      VAL  26   3.725  -1.866   1.016
  195   2HG2  VAL  26          HG22      VAL  26   2.401  -2.480   2.007
  196   3HG2  VAL  26          HG23      VAL  26   2.142  -2.155   0.294
  197    H    ARG  27           HN       ARG  27   5.653  -5.982   1.449
  198    HA   ARG  27           HA       ARG  27   4.519  -8.339   0.260
  199   1HB   ARG  27          HB2       ARG  27   7.063  -7.406   0.430
  200   2HB   ARG  27          HB1       ARG  27   7.093  -8.645   1.693
  201   1HG   ARG  27          HG2       ARG  27   7.658  -9.920  -0.158
  202   2HG   ARG  27          HG1       ARG  27   5.907 -10.118  -0.144
  203   1HD   ARG  27          HD2       ARG  27   5.732  -9.144  -2.156
  204   2HD   ARG  27          HD1       ARG  27   6.599  -7.719  -1.586
  205    HE   ARG  27           HE       ARG  27   7.711  -9.480  -3.400
  206   1HH1  ARG  27          HH21      ARG  27   8.929  -7.248  -1.437
  207   2HH1  ARG  27          HH22      ARG  27  10.387  -8.074  -0.997
  208   1HH2  ARG  27          HH11      ARG  27   9.359 -11.126  -2.285
  209   2HH2  ARG  27          HH12      ARG  27  10.630 -10.270  -1.478
  210    H    LYS  28           HN       LYS  28   6.025  -7.921   3.426
  211    HA   LYS  28           HA       LYS  28   5.353 -10.446   4.519
  212   1HB   LYS  28          HB2       LYS  28   5.813  -7.749   5.812
  213   2HB   LYS  28          HB1       LYS  28   5.492  -9.200   6.763
  214   1HG   LYS  28          HG2       LYS  28   7.462  -9.917   4.860
  215   2HG   LYS  28          HG1       LYS  28   7.962  -8.367   5.537
  216   1HD   LYS  28          HD2       LYS  28   7.133  -9.684   7.787
  217   2HD   LYS  28          HD1       LYS  28   7.785 -11.014   6.831
  218   1HE   LYS  28          HE2       LYS  28   9.862 -10.372   7.408
  219   2HE   LYS  28          HE1       LYS  28   9.600  -8.848   6.562
  220   1HZ   LYS  28          HZ1       LYS  28   9.889  -7.994   8.604
  221   2HZ   LYS  28          HZ2       LYS  28   9.481  -9.439   9.399
  222   3HZ   LYS  28          HZ3       LYS  28   8.259  -8.410   8.818
  223    H    THR  29           HN       THR  29   3.603  -7.400   4.525
  224    HA   THR  29           HA       THR  29   1.332  -8.233   6.059
  225    HB   THR  29           HB       THR  29   2.074  -6.089   4.156
  226    HG1  THR  29           HG1      THR  29   2.282  -5.256   6.051
  227   1HG2  THR  29          HG21      THR  29  -0.811  -6.460   4.968
  228   2HG2  THR  29          HG22      THR  29  -0.176  -6.790   3.355
  229   3HG2  THR  29          HG23      THR  29  -0.146  -5.148   3.994
  230    H    VAL  30           HN       VAL  30   2.320  -8.427   2.746
  231    HA   VAL  30           HA       VAL  30  -0.169  -9.442   1.662
  232    HB   VAL  30           HB       VAL  30   2.711  -9.347   0.735
  233   1HG1  VAL  30          HG11      VAL  30   1.685 -10.138  -1.492
  234   2HG1  VAL  30          HG12      VAL  30   0.384 -10.775  -0.485
  235   3HG1  VAL  30          HG13      VAL  30   2.039 -11.341  -0.253
  236   1HG2  VAL  30          HG21      VAL  30   0.399  -8.217  -0.783
  237   2HG2  VAL  30          HG22      VAL  30   2.055  -7.628  -0.670
  238   3HG2  VAL  30          HG23      VAL  30   0.935  -7.370   0.667
  239    H    ARG  31           HN       ARG  31   2.619 -10.655   3.300
  240    HA   ARG  31           HA       ARG  31   2.281 -13.458   2.645
  241   1HB   ARG  31          HB2       ARG  31   3.725 -12.188   4.994
  242   2HB   ARG  31          HB1       ARG  31   3.901 -13.855   4.449
  243   1HG   ARG  31          HG2       ARG  31   4.660 -12.909   2.201
  244   2HG   ARG  31          HG1       ARG  31   4.739 -11.346   2.996
  245   1HD   ARG  31          HD2       ARG  31   6.870 -12.910   2.896
  246   2HD   ARG  31          HD1       ARG  31   6.530 -11.928   4.320
  247    HE   ARG  31           HE       ARG  31   5.567 -13.977   5.370
  248   1HH1  ARG  31          HH21      ARG  31   5.582 -15.316   2.525
  249   2HH1  ARG  31          HH22      ARG  31   6.807 -16.514   2.781
  250   1HH2  ARG  31          HH11      ARG  31   7.970 -15.075   5.715
  251   2HH2  ARG  31          HH12      ARG  31   8.158 -16.378   4.589
  252    H    ASN  32           HN       ASN  32   1.138 -11.228   5.147
  253    HA   ASN  32           HA       ASN  32  -0.277 -13.547   6.411
  254   1HB   ASN  32          HB2       ASN  32  -0.188 -12.466   8.448
  255   2HB   ASN  32          HB1       ASN  32   1.256 -11.789   7.711
  256   1HD2  ASN  32          HD21      ASN  32   0.419  -9.796   6.127
  257   2HD2  ASN  32          HD22      ASN  32  -0.517  -8.652   6.959
  258    H    MET  33           HN       MET  33  -0.831 -11.332   4.091
  259    HA   MET  33           HA       MET  33  -3.548 -10.568   4.958
  260   1HB   MET  33          HB2       MET  33  -1.739  -9.799   2.716
  261   2HB   MET  33          HB1       MET  33  -3.474  -9.701   2.420
  262   1HG   MET  33          HG2       MET  33  -3.416  -8.525   4.820
  263   2HG   MET  33          HG1       MET  33  -1.786  -8.124   4.307
  264   1HE   MET  33          HE1       MET  33  -5.675  -7.109   2.079
  265   2HE   MET  33          HE2       MET  33  -5.590  -7.708   3.733
  266   3HE   MET  33          HE3       MET  33  -5.083  -8.744   2.401
  267    H    GLN  34           HN       GLN  34  -5.359 -10.983   3.410
  268    HA   GLN  34           HA       GLN  34  -5.060 -13.620   2.039
  269   1HB   GLN  34          HB2       GLN  34  -7.523 -12.651   3.517
  270   2HB   GLN  34          HB1       GLN  34  -7.254 -14.256   2.835
  271   1HG   GLN  34          HG2       GLN  34  -5.484 -13.077   4.987
  272   2HG   GLN  34          HG1       GLN  34  -6.902 -14.058   5.353
  273   1HE2  GLN  34          HE21      GLN  34  -4.363 -15.015   6.118
  274   2HE2  GLN  34          HE22      GLN  34  -3.944 -16.343   5.146
  275    HA   PRO  35           HA       PRO  35  -6.750 -11.515  -1.396
  276   1HB   PRO  35          HB2       PRO  35  -8.053 -13.606  -2.647
  277   2HB   PRO  35          HB1       PRO  35  -6.300 -13.358  -2.695
  278   1HG   PRO  35          HG2       PRO  35  -7.878 -15.329  -1.090
  279   2HG   PRO  35          HG1       PRO  35  -6.228 -15.464  -1.723
  280   1HD   PRO  35          HD2       PRO  35  -6.877 -14.873   0.941
  281   2HD   PRO  35          HD1       PRO  35  -5.305 -14.543   0.179
  282    H    GLY  36           HN       GLY  36  -8.426 -10.181  -1.313
  283   1HA   GLY  36          HA2       GLY  36 -10.847  -9.781  -1.508
  284   2HA   GLY  36          HA1       GLY  36 -11.096 -11.181  -0.452
  285    H    GLU  37           HN       GLU  37  -8.409  -9.129   0.237
  286    HA   GLU  37           HA       GLU  37  -9.925  -7.932   2.526
  287   1HB   GLU  37          HB2       GLU  37  -7.276  -9.302   2.375
  288   2HB   GLU  37          HB1       GLU  37  -7.433  -7.945   3.484
  289   1HG   GLU  37          HG2       GLU  37  -7.993  -9.997   4.670
  290   2HG   GLU  37          HG1       GLU  37  -9.459  -9.037   4.464
  291    H    THR  38           HN       THR  38  -8.246  -6.069   3.445
  292    HA   THR  38           HA       THR  38  -7.280  -4.520   1.096
  293    HB   THR  38           HB       THR  38  -8.324  -2.488   2.453
  294    HG1  THR  38           HG1      THR  38  -9.518  -3.216   4.007
  295   1HG2  THR  38          HG21      THR  38  -8.816  -3.500   0.094
  296   2HG2  THR  38          HG22      THR  38 -10.017  -2.445   0.838
  297   3HG2  THR  38          HG23      THR  38 -10.233  -4.195   0.880
  298    H    LEU  39           HN       LEU  39  -5.748  -2.853   1.657
  299    HA   LEU  39           HA       LEU  39  -4.638  -2.921   4.419
  300   1HB   LEU  39          HB2       LEU  39  -3.354  -4.629   3.321
  301   2HB   LEU  39          HB1       LEU  39  -3.154  -3.642   1.876
  302    HG   LEU  39           HG       LEU  39  -2.052  -1.959   3.645
  303   1HD1  LEU  39          HD11      LEU  39  -2.145  -3.044   5.672
  304   2HD1  LEU  39          HD12      LEU  39  -0.609  -3.677   5.084
  305   3HD1  LEU  39          HD13      LEU  39  -2.076  -4.645   4.940
  306   1HD2  LEU  39          HD21      LEU  39  -0.883  -2.775   1.691
  307   2HD2  LEU  39          HD22      LEU  39  -0.757  -4.392   2.383
  308   3HD2  LEU  39          HD23      LEU  39   0.155  -3.057   3.089
  309    H    LEU  40           HN       LEU  40  -4.502  -0.754   4.937
  310    HA   LEU  40           HA       LEU  40  -4.255   1.253   2.798
  311   1HB   LEU  40          HB2       LEU  40  -5.768   1.872   4.561
  312   2HB   LEU  40          HB1       LEU  40  -4.597   1.437   5.805
  313    HG   LEU  40           HG       LEU  40  -3.083   3.238   4.920
  314   1HD1  LEU  40          HD11      LEU  40  -5.242   4.679   3.585
  315   2HD1  LEU  40          HD12      LEU  40  -4.843   3.173   2.758
  316   3HD1  LEU  40          HD13      LEU  40  -3.592   4.383   3.041
  317   1HD2  LEU  40          HD21      LEU  40  -5.640   3.566   6.312
  318   2HD2  LEU  40          HD22      LEU  40  -5.097   5.053   5.534
  319   3HD2  LEU  40          HD23      LEU  40  -4.058   4.239   6.704
  320    H    ILE  41           HN       ILE  41  -2.378   2.542   2.534
  321    HA   ILE  41           HA       ILE  41  -0.053   1.832   4.263
  322    HB   ILE  41           HB       ILE  41   0.174   2.025   1.265
  323   1HG1  ILE  41          HG12      ILE  41  -0.718  -0.297   2.976
  324   2HG1  ILE  41          HG11      ILE  41  -1.360   0.257   1.439
  325   1HG2  ILE  41          HG21      ILE  41   2.345   1.636   1.692
  326   2HG2  ILE  41          HG22      ILE  41   1.946   0.193   2.620
  327   3HG2  ILE  41          HG23      ILE  41   1.991   1.764   3.413
  328   1HD1  ILE  41          HD11      ILE  41   0.733  -1.680   1.931
  329   2HD1  ILE  41          HD12      ILE  41   1.316  -0.379   0.894
  330   3HD1  ILE  41          HD13      ILE  41  -0.108  -1.308   0.427
  331    H    ILE  42           HN       ILE  42   0.939   3.716   4.951
  332    HA   ILE  42           HA       ILE  42   0.473   6.147   3.313
  333    HB   ILE  42           HB       ILE  42   1.835   6.077   5.999
  334   1HG1  ILE  42          HG12      ILE  42  -1.093   5.866   5.338
  335   2HG1  ILE  42          HG11      ILE  42  -0.174   5.017   6.583
  336   1HG2  ILE  42          HG21      ILE  42   1.850   8.131   4.516
  337   2HG2  ILE  42          HG22      ILE  42   1.108   8.385   6.091
  338   3HG2  ILE  42          HG23      ILE  42   0.097   8.175   4.663
  339   1HD1  ILE  42          HD11      ILE  42  -1.419   6.655   7.757
  340   2HD1  ILE  42          HD12      ILE  42  -1.058   7.895   6.555
  341   3HD1  ILE  42          HD13      ILE  42   0.211   7.317   7.633
  342    H    ALA  43           HN       ALA  43   2.396   7.490   2.953
  343    HA   ALA  43           HA       ALA  43   5.010   6.287   3.327
  344   1HB   ALA  43          HB1       ALA  43   5.396   5.392   1.274
  345   2HB   ALA  43          HB2       ALA  43   4.542   6.695   0.448
  346   3HB   ALA  43          HB3       ALA  43   3.639   5.346   1.135
  347    H    ASP  44           HN       ASP  44   6.374   7.973   3.524
  348    HA   ASP  44           HA       ASP  44   5.519  10.537   2.289
  349   1HB   ASP  44          HB2       ASP  44   6.979  11.685   3.836
  350   2HB   ASP  44          HB1       ASP  44   5.967  10.595   4.772
  351    H    ASP  45           HN       ASP  45   7.790   7.941   2.364
  352    HA   ASP  45           HA       ASP  45   9.933   9.181   0.931
  353   1HB   ASP  45          HB2       ASP  45  10.423   7.113   1.824
  354   2HB   ASP  45          HB1       ASP  45   8.886   6.441   1.320
  355    HA   PRO  46           HA       PRO  46   7.854   9.795  -2.922
  356   1HB   PRO  46          HB2       PRO  46  10.090  10.261  -4.451
  357   2HB   PRO  46          HB1       PRO  46   9.399  11.453  -3.337
  358   1HG   PRO  46          HG2       PRO  46  11.865   9.808  -3.036
  359   2HG   PRO  46          HG1       PRO  46  11.462  11.369  -2.301
  360   1HD   PRO  46          HD2       PRO  46  11.335   8.841  -1.024
  361   2HD   PRO  46          HD1       PRO  46  10.656  10.357  -0.411
  362    H    ALA  47           HN       ALA  47  10.236   7.362  -2.408
  363    HA   ALA  47           HA       ALA  47   9.820   6.104  -5.050
  364   1HB   ALA  47          HB1       ALA  47  11.500   4.514  -4.371
  365   2HB   ALA  47          HB2       ALA  47  11.355   5.000  -2.683
  366   3HB   ALA  47          HB3       ALA  47  12.057   6.108  -3.862
  367    H    THR  48           HN       THR  48   8.107   6.165  -2.205
  368    HA   THR  48           HA       THR  48   7.326   3.318  -2.256
  369    HB   THR  48           HB       THR  48   5.665   4.180  -0.463
  370    HG1  THR  48           HG1      THR  48   5.871   6.379  -1.077
  371   1HG2  THR  48          HG21      THR  48   7.221   3.412   0.960
  372   2HG2  THR  48          HG22      THR  48   8.241   4.823   0.686
  373   3HG2  THR  48          HG23      THR  48   8.363   3.428  -0.383
  374    H    THR  49           HN       THR  49   5.935   6.498  -2.996
  375    HA   THR  49           HA       THR  49   3.305   5.682  -3.637
  376    HB   THR  49           HB       THR  49   3.038   7.746  -4.644
  377    HG1  THR  49           HG1      THR  49   4.185   7.442  -6.472
  378   1HG2  THR  49          HG21      THR  49   4.674   7.818  -2.498
  379   2HG2  THR  49          HG22      THR  49   4.143   9.268  -3.350
  380   3HG2  THR  49          HG23      THR  49   5.725   8.572  -3.697
  381    H    ARG  50           HN       ARG  50   6.300   5.488  -5.474
  382    HA   ARG  50           HA       ARG  50   4.819   4.361  -7.790
  383   1HB   ARG  50          HB2       ARG  50   7.659   5.259  -7.359
  384   2HB   ARG  50          HB1       ARG  50   7.181   4.364  -8.802
  385   1HG   ARG  50          HG2       ARG  50   5.253   6.428  -8.380
  386   2HG   ARG  50          HG1       ARG  50   6.857   7.155  -8.273
  387   1HD   ARG  50          HD2       ARG  50   7.340   5.713 -10.420
  388   2HD   ARG  50          HD1       ARG  50   5.584   5.712 -10.578
  389    HE   ARG  50           HE       ARG  50   5.654   8.126 -10.852
  390   1HH1  ARG  50          HH11      ARG  50   8.225   8.395  -9.155
  391   2HH1  ARG  50          HH12      ARG  50   9.343   8.926 -10.368
  392   1HH2  ARG  50          HH21      ARG  50   7.302   8.026 -13.022
  393   2HH2  ARG  50          HH22      ARG  50   8.820   8.717 -12.557
  394    H    ASP  51           HN       ASP  51   7.264   3.335  -5.436
  395    HA   ASP  51           HA       ASP  51   7.521   0.725  -6.739
  396   1HB   ASP  51          HB2       ASP  51   8.638   1.726  -4.107
  397   2HB   ASP  51          HB1       ASP  51   9.120   0.241  -4.936
  398    H    ILE  52           HN       ILE  52   6.196   1.821  -3.594
  399    HA   ILE  52           HA       ILE  52   5.559  -0.718  -2.593
  400    HB   ILE  52           HB       ILE  52   4.508   2.016  -2.143
  401   1HG1  ILE  52          HG12      ILE  52   5.630  -0.249  -0.502
  402   2HG1  ILE  52          HG11      ILE  52   6.346   1.331  -0.822
  403   1HG2  ILE  52          HG21      ILE  52   3.053  -0.445  -1.118
  404   2HG2  ILE  52          HG22      ILE  52   2.410   0.692  -2.303
  405   3HG2  ILE  52          HG23      ILE  52   2.717   1.222  -0.649
  406   1HD1  ILE  52          HD11      ILE  52   5.362   1.128   1.481
  407   2HD1  ILE  52          HD12      ILE  52   3.780   0.918   0.737
  408   3HD1  ILE  52          HD13      ILE  52   4.658   2.433   0.528
  409    HA   PRO  53           HA       PRO  53   1.394  -0.635  -4.826
  410   1HB   PRO  53          HB2       PRO  53   1.171   1.106  -6.939
  411   2HB   PRO  53          HB1       PRO  53   0.603   1.439  -5.292
  412   1HG   PRO  53          HG2       PRO  53   2.999   2.500  -6.715
  413   2HG   PRO  53          HG1       PRO  53   2.072   3.224  -5.390
  414   1HD   PRO  53          HD2       PRO  53   4.557   1.922  -5.133
  415   2HD   PRO  53          HD1       PRO  53   3.450   2.309  -3.796
  416    H    GLY  54           HN       GLY  54   3.947   0.437  -7.104
  417   1HA   GLY  54          HA2       GLY  54   3.351  -1.343  -9.192
  418   2HA   GLY  54          HA1       GLY  54   5.003  -0.839  -8.794
  419    H    PHE  55           HN       PHE  55   4.615  -1.966  -6.002
  420    HA   PHE  55           HA       PHE  55   5.523  -4.667  -6.657
  421   1HB   PHE  55          HB2       PHE  55   6.632  -3.951  -4.761
  422   2HB   PHE  55          HB1       PHE  55   5.259  -3.009  -4.185
  423    HD1  PHE  55           HD1      PHE  55   5.402  -6.599  -5.222
  424    HD2  PHE  55           HD2      PHE  55   4.828  -3.812  -2.017
  425    HE1  PHE  55           HE1      PHE  55   4.706  -8.448  -3.751
  426    HE2  PHE  55           HE2      PHE  55   4.128  -5.672  -0.553
  427    HZ   PHE  55           HZ       PHE  55   4.057  -7.988  -1.416
  428    H    CYS  56           HN       CYS  56   2.682  -3.324  -4.876
  429    HA   CYS  56           HA       CYS  56   1.403  -5.789  -4.418
  430   1HB   CYS  56          HB2       CYS  56   0.353  -3.012  -4.923
  431   2HB   CYS  56          HB1       CYS  56  -0.749  -4.364  -4.650
  432    HG   CYS  56           HG       CYS  56   0.126  -4.631  -2.270
  433    H    THR  57           HN       THR  57   1.411  -3.785  -7.345
  434    HA   THR  57           HA       THR  57  -0.543  -5.287  -8.790
  435    HB   THR  57           HB       THR  57   1.887  -3.891  -9.945
  436    HG1  THR  57           HG1      THR  57  -0.689  -2.815  -9.498
  437   1HG2  THR  57          HG21      THR  57  -0.635  -3.734 -11.387
  438   2HG2  THR  57          HG22      THR  57  -0.128  -5.405 -11.146
  439   3HG2  THR  57          HG23      THR  57   0.946  -4.266 -11.958
  440    H    PHE  58           HN       PHE  58   2.909  -5.770  -8.285
  441    HA   PHE  58           HA       PHE  58   3.274  -7.839 -10.235
  442   1HB   PHE  58          HB2       PHE  58   5.005  -6.449  -8.808
  443   2HB   PHE  58          HB1       PHE  58   4.845  -7.797  -7.683
  444    HD1  PHE  58           HD1      PHE  58   6.727  -6.616 -10.356
  445    HD2  PHE  58           HD2      PHE  58   4.805 -10.201  -8.976
  446    HE1  PHE  58           HE1      PHE  58   8.249  -7.976 -11.767
  447    HE2  PHE  58           HE2      PHE  58   6.325 -11.560 -10.387
  448    HZ   PHE  58           HZ       PHE  58   8.047 -10.448 -11.782
  449    H    MET  59           HN       MET  59   2.400  -7.975  -6.769
  450    HA   MET  59           HA       MET  59   2.379 -10.886  -6.803
  451   1HB   MET  59          HB2       MET  59   1.873  -8.802  -4.799
  452   2HB   MET  59          HB1       MET  59   1.090 -10.350  -4.529
  453   1HG   MET  59          HG2       MET  59   3.966 -10.384  -5.313
  454   2HG   MET  59          HG1       MET  59   3.577  -9.861  -3.676
  455   1HE   MET  59          HE1       MET  59   3.470 -12.366  -6.362
  456   2HE   MET  59          HE2       MET  59   1.776 -12.711  -6.016
  457   3HE   MET  59          HE3       MET  59   3.006 -13.918  -5.650
  458    H    GLU  60           HN       GLU  60   0.302  -8.855  -8.245
  459    HA   GLU  60           HA       GLU  60  -1.796  -9.369  -9.211
  460   1HB   GLU  60          HB2       GLU  60  -2.093 -11.670  -7.282
  461   2HB   GLU  60          HB1       GLU  60  -2.844 -11.459  -8.862
  462   1HG   GLU  60          HG2       GLU  60   0.090 -11.394  -8.964
  463   2HG   GLU  60          HG1       GLU  60  -0.554 -12.927  -8.379
  464    H    HIS  61           HN       HIS  61  -1.236  -7.828  -6.655
  465    HA   HIS  61           HA       HIS  61  -3.832  -8.062  -5.269
  466   1HB   HIS  61          HB2       HIS  61  -1.482  -6.230  -4.693
  467   2HB   HIS  61          HB1       HIS  61  -2.848  -6.565  -3.634
  468    HD1  HIS  61           HD1      HIS  61  -2.543  -9.703  -4.863
  469    HD2  HIS  61           HD2      HIS  61   0.053  -7.497  -2.464
  470    HE1  HIS  61           HE1      HIS  61  -1.041 -11.374  -3.719
  471    H    GLU  62           HN       GLU  62  -4.810  -5.745  -4.752
  472    HA   GLU  62           HA       GLU  62  -4.672  -4.169  -7.291
  473   1HB   GLU  62          HB2       GLU  62  -6.963  -5.191  -5.718
  474   2HB   GLU  62          HB1       GLU  62  -7.142  -3.601  -6.437
  475   1HG   GLU  62          HG2       GLU  62  -7.060  -4.425  -8.598
  476   2HG   GLU  62          HG1       GLU  62  -6.024  -5.780  -8.152
  477    H    LEU  63           HN       LEU  63  -4.722  -1.981  -7.142
  478    HA   LEU  63           HA       LEU  63  -4.173  -0.769  -4.502
  479   1HB   LEU  63          HB2       LEU  63  -2.807   0.261  -6.108
  480   2HB   LEU  63          HB1       LEU  63  -4.017   0.109  -7.378
  481    HG   LEU  63           HG       LEU  63  -5.386   1.849  -6.074
  482   1HD1  LEU  63          HD11      LEU  63  -3.261   1.471  -4.237
  483   2HD1  LEU  63          HD12      LEU  63  -4.582   2.633  -4.123
  484   3HD1  LEU  63          HD13      LEU  63  -3.069   3.093  -4.903
  485   1HD2  LEU  63          HD21      LEU  63  -2.947   3.284  -6.817
  486   2HD2  LEU  63          HD22      LEU  63  -4.550   3.347  -7.548
  487   3HD2  LEU  63          HD23      LEU  63  -3.418   2.079  -8.014
  488    H    VAL  64           HN       VAL  64  -6.147  -0.715  -3.354
  489    HA   VAL  64           HA       VAL  64  -8.627  -0.408  -4.715
  490    HB   VAL  64           HB       VAL  64  -7.789  -0.294  -1.819
  491   1HG1  VAL  64          HG11      VAL  64 -10.489  -0.143  -3.137
  492   2HG1  VAL  64          HG12      VAL  64  -9.806   0.963  -1.946
  493   3HG1  VAL  64          HG13      VAL  64 -10.278  -0.670  -1.470
  494   1HG2  VAL  64          HG21      VAL  64  -8.083  -2.533  -1.867
  495   2HG2  VAL  64          HG22      VAL  64  -8.034  -2.385  -3.624
  496   3HG2  VAL  64          HG23      VAL  64  -9.583  -2.394  -2.782
  497    H    ALA  65           HN       ALA  65  -6.707   1.944  -2.718
  498    HA   ALA  65           HA       ALA  65  -8.023   4.068  -4.339
  499   1HB   ALA  65          HB1       ALA  65  -8.692   3.483  -1.559
  500   2HB   ALA  65          HB2       ALA  65  -9.516   4.530  -2.713
  501   3HB   ALA  65          HB3       ALA  65  -8.152   5.148  -1.781
  502    H    LYS  66           HN       LYS  66  -6.487   5.679  -4.817
  503    HA   LYS  66           HA       LYS  66  -3.969   5.516  -3.292
  504   1HB   LYS  66          HB2       LYS  66  -4.342   7.287  -5.646
  505   2HB   LYS  66          HB1       LYS  66  -2.912   6.388  -5.142
  506   1HG   LYS  66          HG2       LYS  66  -3.581   5.046  -6.823
  507   2HG   LYS  66          HG1       LYS  66  -4.577   4.344  -5.577
  508   1HD   LYS  66          HD2       LYS  66  -6.309   4.763  -6.986
  509   2HD   LYS  66          HD1       LYS  66  -6.128   6.438  -6.468
  510   1HE   LYS  66          HE2       LYS  66  -4.192   6.248  -8.403
  511   2HE   LYS  66          HE1       LYS  66  -5.450   5.191  -9.048
  512   1HZ   LYS  66          HZ1       LYS  66  -6.557   7.576  -7.966
  513   2HZ   LYS  66          HZ2       LYS  66  -6.712   6.931  -9.530
  514   3HZ   LYS  66          HZ3       LYS  66  -5.396   7.936  -9.149
  515    H    GLU  67           HN       GLU  67  -2.903   7.491  -2.728
  516    HA   GLU  67           HA       GLU  67  -4.664   9.835  -2.326
  517   1HB   GLU  67          HB2       GLU  67  -3.376   8.165  -0.278
  518   2HB   GLU  67          HB1       GLU  67  -3.359   9.885  -0.009
  519   1HG   GLU  67          HG2       GLU  67  -5.807   8.181  -0.531
  520   2HG   GLU  67          HG1       GLU  67  -5.364   8.913   1.012
  521    H    THR  68           HN       THR  68  -3.589  11.399  -3.421
  522    HA   THR  68           HA       THR  68  -0.677  11.768  -2.855
  523    HB   THR  68           HB       THR  68  -0.152  12.061  -5.156
  524    HG1  THR  68           HG1      THR  68  -2.762  11.670  -6.031
  525   1HG2  THR  68          HG21      THR  68  -1.003   9.662  -4.243
  526   2HG2  THR  68          HG22      THR  68  -0.374   9.901  -5.874
  527   3HG2  THR  68          HG23      THR  68  -2.115   9.880  -5.595
  528    H    ASP  69           HN       ASP  69  -3.105  13.043  -1.828
  529    HA   ASP  69           HA       ASP  69  -3.367  15.614  -3.181
  530   1HB   ASP  69          HB2       ASP  69  -4.266  14.785  -0.415
  531   2HB   ASP  69          HB1       ASP  69  -4.814  16.215  -1.294
  532    H    GLY  70           HN       GLY  70  -0.890  14.419  -1.542
  533   1HA   GLY  70          HA2       GLY  70   0.910  16.212  -1.276
  534   2HA   GLY  70          HA1       GLY  70  -0.210  16.901  -0.130
  535    H    LEU  71           HN       LEU  71   2.417  15.251  -0.253
  536    HA   LEU  71           HA       LEU  71   2.450  12.928   1.108
  537   1HB   LEU  71          HB2       LEU  71   4.169  15.330   1.746
  538   2HB   LEU  71          HB1       LEU  71   4.487  13.709   2.328
  539    HG   LEU  71           HG       LEU  71   4.036  14.019  -0.567
  540   1HD1  LEU  71          HD11      LEU  71   6.236  15.298   0.942
  541   2HD1  LEU  71          HD12      LEU  71   5.608  15.678  -0.661
  542   3HD1  LEU  71          HD13      LEU  71   6.734  14.337  -0.450
  543   1HD2  LEU  71          HD21      LEU  71   5.696  12.321   1.280
  544   2HD2  LEU  71          HD22      LEU  71   5.995  12.333  -0.457
  545   3HD2  LEU  71          HD23      LEU  71   4.430  11.810   0.166
  546    HA   PRO  72           HA       PRO  72   3.375  11.892   2.522
  547   1HB   PRO  72          HB2       PRO  72   2.420   9.873   4.085
  548   2HB   PRO  72          HB1       PRO  72   3.668  11.005   4.644
  549   1HG   PRO  72          HG2       PRO  72   0.776  10.899   5.332
  550   2HG   PRO  72          HG1       PRO  72   2.132  11.472   6.323
  551   1HD   PRO  72          HD2       PRO  72   0.308  13.116   4.924
  552   2HD   PRO  72          HD1       PRO  72   1.885  13.638   5.557
  553    H    TYR  73           HN       TYR  73   2.783  10.266   1.052
  554    HA   TYR  73           HA       TYR  73   0.163  10.364  -0.110
  555   1HB   TYR  73          HB2       TYR  73   2.038   8.112  -0.550
  556   2HB   TYR  73          HB1       TYR  73   0.933   8.852  -1.698
  557    HD1  TYR  73           HD1      TYR  73   4.191   8.710  -0.417
  558    HD2  TYR  73           HD2      TYR  73   1.447  11.306  -2.398
  559    HE1  TYR  73           HE1      TYR  73   6.101  10.037  -1.252
  560    HE2  TYR  73           HE2      TYR  73   3.323  12.693  -3.218
  561    HH   TYR  73           HH       TYR  73   5.540  12.941  -3.284
  562    H    ARG  74           HN       ARG  74  -1.191   8.358  -0.442
  563    HA   ARG  74           HA       ARG  74  -0.774   6.242   1.509
  564   1HB   ARG  74          HB2       ARG  74  -3.071   8.156   1.601
  565   2HB   ARG  74          HB1       ARG  74  -3.321   6.458   2.031
  566   1HG   ARG  74          HG2       ARG  74  -2.003   6.561   3.865
  567   2HG   ARG  74          HG1       ARG  74  -0.956   7.782   3.185
  568   1HD   ARG  74          HD2       ARG  74  -3.784   8.272   4.155
  569   2HD   ARG  74          HD1       ARG  74  -2.326   8.681   5.059
  570    HE   ARG  74           HE       ARG  74  -1.939   9.986   2.672
  571   1HH1  ARG  74          HH21      ARG  74  -3.112  10.903   5.520
  572   2HH1  ARG  74          HH22      ARG  74  -4.326  11.998   4.948
  573   1HH2  ARG  74          HH11      ARG  74  -4.123  10.921   1.657
  574   2HH2  ARG  74          HH12      ARG  74  -4.898  12.008   2.761
  575    H    TYR  75           HN       TYR  75  -1.918   4.364   0.906
  576    HA   TYR  75           HA       TYR  75  -3.431   4.468  -1.593
  577   1HB   TYR  75          HB2       TYR  75  -1.231   2.504  -1.604
  578   2HB   TYR  75          HB1       TYR  75  -2.003   3.339  -2.951
  579    HD1  TYR  75           HD1      TYR  75  -1.518   5.907  -3.160
  580    HD2  TYR  75           HD2      TYR  75   0.737   3.207  -0.779
  581    HE1  TYR  75           HE1      TYR  75   0.407   7.468  -3.258
  582    HE2  TYR  75           HE2      TYR  75   2.691   4.755  -0.839
  583    HH   TYR  75           HH       TYR  75   2.527   7.800  -2.692
  584    H    LEU  76           HN       LEU  76  -5.090   2.995  -1.311
  585    HA   LEU  76           HA       LEU  76  -4.746   1.069   0.793
  586   1HB   LEU  76          HB2       LEU  76  -6.939   2.160   0.581
  587   2HB   LEU  76          HB1       LEU  76  -7.108   1.505  -1.034
  588    HG   LEU  76           HG       LEU  76  -6.705  -0.778   0.021
  589   1HD1  LEU  76          HD11      LEU  76  -7.768   0.259   2.565
  590   2HD1  LEU  76          HD12      LEU  76  -6.087   0.678   2.235
  591   3HD1  LEU  76          HD13      LEU  76  -6.584  -1.014   2.273
  592   1HD2  LEU  76          HD21      LEU  76  -9.199  -0.075   1.193
  593   2HD2  LEU  76          HD22      LEU  76  -8.881  -0.923  -0.320
  594   3HD2  LEU  76          HD23      LEU  76  -8.983   0.837  -0.299
  595    H    ILE  77           HN       ILE  77  -4.910  -1.301   0.214
  596    HA   ILE  77           HA       ILE  77  -4.832  -1.820  -2.680
  597    HB   ILE  77           HB       ILE  77  -2.739  -2.842  -0.754
  598   1HG1  ILE  77          HG12      ILE  77  -2.850  -0.458  -2.580
  599   2HG1  ILE  77          HG11      ILE  77  -2.251  -0.557  -0.930
  600   1HG2  ILE  77          HG21      ILE  77  -3.546  -3.883  -3.172
  601   2HG2  ILE  77          HG22      ILE  77  -1.942  -4.095  -2.479
  602   3HG2  ILE  77          HG23      ILE  77  -2.229  -2.815  -3.659
  603   1HD1  ILE  77          HD11      ILE  77  -0.277  -1.749  -1.645
  604   2HD1  ILE  77          HD12      ILE  77  -0.443  -0.324  -2.668
  605   3HD1  ILE  77          HD13      ILE  77  -0.906  -1.908  -3.286
  606    H    ARG  78           HN       ARG  78  -6.569  -3.208  -2.847
  607    HA   ARG  78           HA       ARG  78  -7.280  -5.005  -0.681
  608   1HB   ARG  78          HB2       ARG  78  -9.050  -4.335  -2.141
  609   2HB   ARG  78          HB1       ARG  78  -8.138  -4.806  -3.574
  610   1HG   ARG  78          HG2       ARG  78  -8.205  -7.185  -2.742
  611   2HG   ARG  78          HG1       ARG  78  -9.297  -6.647  -1.465
  612   1HD   ARG  78          HD2       ARG  78 -11.059  -6.569  -2.876
  613   2HD   ARG  78          HD1       ARG  78 -10.131  -5.700  -4.099
  614    HE   ARG  78           HE       ARG  78  -9.217  -7.966  -4.778
  615   1HH1  ARG  78          HH11      ARG  78 -12.439  -7.313  -4.128
  616   2HH1  ARG  78          HH12      ARG  78 -12.964  -8.964  -4.147
  617   1HH2  ARG  78          HH21      ARG  78  -9.751 -10.260  -4.310
  618   2HH2  ARG  78          HH22      ARG  78 -11.442 -10.632  -4.250
  619    H    LYS  79           HN       LYS  79  -5.888  -6.637  -0.151
  620    HA   LYS  79           HA       LYS  79  -3.959  -7.832  -1.881
  621   1HB   LYS  79          HB2       LYS  79  -4.109  -7.957   0.677
  622   2HB   LYS  79          HB1       LYS  79  -5.268  -9.263   0.432
  623   1HG   LYS  79          HG2       LYS  79  -2.693  -9.388  -1.076
  624   2HG   LYS  79          HG1       LYS  79  -2.650  -9.749   0.650
  625   1HD   LYS  79          HD2       LYS  79  -4.142 -11.567   0.428
  626   2HD   LYS  79          HD1       LYS  79  -4.691 -11.033  -1.162
  627   1HE   LYS  79          HE2       LYS  79  -3.221 -12.619  -1.902
  628   2HE   LYS  79          HE1       LYS  79  -2.040 -11.333  -1.655
  629   1HZ   LYS  79          HZ1       LYS  79  -2.788 -13.279   0.451
  630   2HZ   LYS  79          HZ2       LYS  79  -1.490 -12.184   0.466
  631   3HZ   LYS  79          HZ3       LYS  79  -1.477 -13.507  -0.599
  632    H    GLY  80           HN       GLY  80  -4.106  -9.524  -3.302
  633   1HA   GLY  80          HA2       GLY  80  -6.407 -11.328  -3.305
  634   2HA   GLY  80          HA1       GLY  80  -6.376 -10.212  -4.673
  635    H    GLY  81           HN       GLY  81  -6.174 -12.492  -5.733
  636   1HA   GLY  81          HA2       GLY  81  -3.836 -12.816  -7.103
  637   2HA   GLY  81          HA1       GLY  81  -3.492 -13.676  -5.601
  Start of MODEL   20
    1   1H    MET   1          HT1       MET   1 -22.903   8.036   0.348
    2   2H    MET   1          HT2       MET   1 -22.854   7.268   1.862
    3   3H    MET   1          HT3       MET   1 -22.435   6.409   0.457
    4    HA   MET   1           HA       MET   1 -20.638   8.237   0.191
    5   1HB   MET   1          HB2       MET   1 -21.054   8.208   3.193
    6   2HB   MET   1          HB1       MET   1 -19.885   9.169   2.284
    7   1HG   MET   1          HG2       MET   1 -22.904   9.423   2.155
    8   2HG   MET   1          HG1       MET   1 -21.787  10.576   2.885
    9   1HE   MET   1          HE1       MET   1 -19.426  11.405   0.732
   10   2HE   MET   1          HE2       MET   1 -20.440  11.960   2.061
   11   3HE   MET   1          HE3       MET   1 -20.545  12.754   0.491
   12    H    THR   2           HN       THR   2 -19.499   6.432  -0.508
   13    HA   THR   2           HA       THR   2 -18.757   4.424   1.580
   14    HB   THR   2           HB       THR   2 -18.300   2.891  -0.294
   15    HG1  THR   2           HG1      THR   2 -19.114   5.126  -1.833
   16   1HG2  THR   2          HG21      THR   2 -20.620   2.631  -1.092
   17   2HG2  THR   2          HG22      THR   2 -21.001   4.250  -0.503
   18   3HG2  THR   2          HG23      THR   2 -20.578   2.973   0.638
   19    H    ASP   3           HN       ASP   3 -16.797   4.996   2.413
   20    HA   ASP   3           HA       ASP   3 -14.813   6.385   0.744
   21   1HB   ASP   3          HB2       ASP   3 -15.145   6.982   3.143
   22   2HB   ASP   3          HB1       ASP   3 -14.579   5.373   3.594
   23    H    LEU   4           HN       LEU   4 -13.139   5.383  -0.288
   24    HA   LEU   4           HA       LEU   4 -13.010   2.489  -0.349
   25   1HB   LEU   4          HB2       LEU   4 -11.124   4.601  -1.441
   26   2HB   LEU   4          HB1       LEU   4 -11.003   2.875  -1.790
   27    HG   LEU   4           HG       LEU   4 -13.431   4.593  -2.385
   28   1HD1  LEU   4          HD11      LEU   4 -11.772   3.345  -4.524
   29   2HD1  LEU   4          HD12      LEU   4 -11.106   4.767  -3.724
   30   3HD1  LEU   4          HD13      LEU   4 -12.667   4.864  -4.539
   31   1HD2  LEU   4          HD21      LEU   4 -14.127   2.332  -2.044
   32   2HD2  LEU   4          HD22      LEU   4 -12.718   1.695  -2.893
   33   3HD2  LEU   4          HD23      LEU   4 -13.989   2.524  -3.792
   34    H    PHE   5           HN       PHE   5 -11.241   5.028   1.329
   35    HA   PHE   5           HA       PHE   5  -9.240   3.122   2.342
   36   1HB   PHE   5          HB2       PHE   5  -9.663   6.073   2.484
   37   2HB   PHE   5          HB1       PHE   5  -8.720   5.316   3.767
   38    HD1  PHE   5           HD1      PHE   5  -6.735   6.610   2.922
   39    HD2  PHE   5           HD2      PHE   5  -8.726   3.662   0.530
   40    HE1  PHE   5           HE1      PHE   5  -4.787   6.475   1.403
   41    HE2  PHE   5           HE2      PHE   5  -6.749   3.555  -0.955
   42    HZ   PHE   5           HZ       PHE   5  -4.784   5.013  -0.549
   43    H    SER   6           HN       SER   6 -12.295   3.194   3.019
   44    HA   SER   6           HA       SER   6 -12.781   3.859   5.677
   45   1HB   SER   6          HB2       SER   6 -13.667   1.375   4.180
   46   2HB   SER   6          HB1       SER   6 -14.342   1.891   5.724
   47    HG   SER   6           HG       SER   6 -15.590   2.693   4.024
   48    H    SER   7           HN       SER   7 -12.971   2.084   7.525
   49    HA   SER   7           HA       SER   7 -10.443   1.420   8.447
   50   1HB   SER   7          HB2       SER   7 -13.100   0.803   9.186
   51   2HB   SER   7          HB1       SER   7 -12.167  -0.684   9.242
   52    HG   SER   7           HG       SER   7 -12.125   1.418  10.911
   53    HA   PRO   8           HA       PRO   8  -9.550  -1.664   5.272
   54   1HB   PRO   8          HB2       PRO   8  -6.829  -1.512   5.610
   55   2HB   PRO   8          HB1       PRO   8  -7.757  -0.393   4.598
   56   1HG   PRO   8          HG2       PRO   8  -6.573   0.061   7.302
   57   2HG   PRO   8          HG1       PRO   8  -6.896   1.227   6.008
   58   1HD   PRO   8          HD2       PRO   8  -8.481   0.855   8.309
   59   2HD   PRO   8          HD1       PRO   8  -8.976   1.718   6.838
   60    H    ASP   9           HN       ASP   9  -8.273  -3.763   5.413
   61    HA   ASP   9           HA       ASP   9  -8.721  -4.988   8.041
   62   1HB   ASP   9          HB2       ASP   9  -7.732  -6.055   5.385
   63   2HB   ASP   9          HB1       ASP   9  -7.834  -7.053   6.836
   64    H    HIS  10           HN       HIS  10  -6.063  -3.685   6.215
   65    HA   HIS  10           HA       HIS  10  -4.256  -4.305   8.491
   66   1HB   HIS  10          HB2       HIS  10  -3.893  -5.101   5.613
   67   2HB   HIS  10          HB1       HIS  10  -2.491  -4.778   6.624
   68    HD1  HIS  10           HD1      HIS  10  -1.689  -6.731   7.970
   69    HD2  HIS  10           HD2      HIS  10  -5.710  -7.113   6.935
   70    HE1  HIS  10           HE1      HIS  10  -2.436  -8.996   8.825
   71    H    THR  11           HN       THR  11  -2.106  -3.011   8.117
   72    HA   THR  11           HA       THR  11  -2.532  -0.574   6.487
   73    HB   THR  11           HB       THR  11  -1.802  -0.487   9.413
   74    HG1  THR  11           HG1      THR  11  -3.985  -1.034   9.100
   75   1HG2  THR  11          HG21      THR  11  -2.461   1.699   7.417
   76   2HG2  THR  11          HG22      THR  11  -0.856   1.339   8.054
   77   3HG2  THR  11          HG23      THR  11  -2.114   1.950   9.129
   78    H    LEU  12           HN       LEU  12  -0.500   0.659   6.268
   79    HA   LEU  12           HA       LEU  12   1.974  -0.775   7.082
   80   1HB   LEU  12          HB2       LEU  12   1.685  -1.709   4.900
   81   2HB   LEU  12          HB1       LEU  12   1.173  -0.159   4.236
   82    HG   LEU  12           HG       LEU  12   3.400   0.758   4.341
   83   1HD1  LEU  12          HD11      LEU  12   3.914  -1.580   6.198
   84   2HD1  LEU  12          HD12      LEU  12   4.121   0.139   6.520
   85   3HD1  LEU  12          HD13      LEU  12   5.232  -0.691   5.437
   86   1HD2  LEU  12          HD21      LEU  12   3.372  -2.146   3.504
   87   2HD2  LEU  12          HD22      LEU  12   4.814  -1.146   3.332
   88   3HD2  LEU  12          HD23      LEU  12   3.330  -0.704   2.490
   89    H    ASP  13           HN       ASP  13   3.016   0.883   8.164
   90    HA   ASP  13           HA       ASP  13   2.701   3.660   7.267
   91   1HB   ASP  13          HB2       ASP  13   3.057   3.204   9.662
   92   2HB   ASP  13          HB1       ASP  13   4.589   2.408   9.299
   93    H    ALA  14           HN       ALA  14   4.246   4.790   5.966
   94    HA   ALA  14           HA       ALA  14   6.747   3.348   5.338
   95   1HB   ALA  14          HB1       ALA  14   6.322   2.857   3.189
   96   2HB   ALA  14          HB2       ALA  14   5.445   4.363   2.915
   97   3HB   ALA  14          HB3       ALA  14   4.631   2.989   3.666
   98    H    LEU  15           HN       LEU  15   5.612   5.756   6.615
   99    HA   LEU  15           HA       LEU  15   6.724   8.046   5.236
  100   1HB   LEU  15          HB2       LEU  15   6.018   7.889   8.154
  101   2HB   LEU  15          HB1       LEU  15   5.969   9.257   7.062
  102    HG   LEU  15           HG       LEU  15   4.185   6.864   6.709
  103   1HD1  LEU  15          HD11      LEU  15   4.050   8.936   8.697
  104   2HD1  LEU  15          HD12      LEU  15   2.921   7.613   8.412
  105   3HD1  LEU  15          HD13      LEU  15   2.720   9.142   7.557
  106   1HD2  LEU  15          HD21      LEU  15   3.833   7.910   4.741
  107   2HD2  LEU  15          HD22      LEU  15   4.761   9.320   5.255
  108   3HD2  LEU  15          HD23      LEU  15   3.052   9.189   5.667
  109    H    GLY  16           HN       GLY  16   8.865   7.955   5.050
  110   1HA   GLY  16          HA2       GLY  16  11.072   8.289   6.026
  111   2HA   GLY  16          HA1       GLY  16  10.496   7.484   7.494
  112    H    LEU  17           HN       LEU  17   9.148   5.713   5.150
  113    HA   LEU  17           HA       LEU  17  11.263   3.659   5.211
  114   1HB   LEU  17          HB2       LEU  17   8.398   3.627   4.212
  115   2HB   LEU  17          HB1       LEU  17   9.494   2.255   4.118
  116    HG   LEU  17           HG       LEU  17   8.130   3.437   6.484
  117   1HD1  LEU  17          HD11      LEU  17   7.623   1.251   5.190
  118   2HD1  LEU  17          HD12      LEU  17   7.718   1.144   6.949
  119   3HD1  LEU  17          HD13      LEU  17   9.079   0.619   5.957
  120   1HD2  LEU  17          HD21      LEU  17  10.835   2.087   6.563
  121   2HD2  LEU  17          HD22      LEU  17   9.804   2.357   7.970
  122   3HD2  LEU  17          HD23      LEU  17  10.468   3.731   7.085
  123    H    ARG  18           HN       ARG  18  12.119   2.870   3.238
  124    HA   ARG  18           HA       ARG  18  11.183   4.303   0.823
  125   1HB   ARG  18          HB2       ARG  18  13.643   4.697   0.210
  126   2HB   ARG  18          HB1       ARG  18  12.898   5.737   1.425
  127   1HG   ARG  18          HG2       ARG  18  14.130   3.284   2.504
  128   2HG   ARG  18          HG1       ARG  18  15.271   4.421   1.790
  129   1HD   ARG  18          HD2       ARG  18  13.359   5.882   3.360
  130   2HD   ARG  18          HD1       ARG  18  14.035   4.582   4.341
  131    HE   ARG  18           HE       ARG  18  16.310   5.570   3.386
  132   1HH1  ARG  18          HH11      ARG  18  14.796   7.995   2.363
  133   2HH1  ARG  18          HH12      ARG  18  15.020   9.113   3.668
  134   1HH2  ARG  18          HH21      ARG  18  16.027   6.681   5.927
  135   2HH2  ARG  18          HH22      ARG  18  15.717   8.368   5.686
  136    H    CYS  19           HN       CYS  19  11.635   3.180  -1.088
  137    HA   CYS  19           HA       CYS  19  11.492   0.395  -1.006
  138   1HB   CYS  19          HB2       CYS  19  11.080   1.471  -3.077
  139   2HB   CYS  19          HB1       CYS  19  12.683   2.200  -3.114
  140    HG   CYS  19           HG       CYS  19  12.569  -0.004  -4.645
  141    HA   PRO  20           HA       PRO  20  11.920  -1.379  -1.697
  142   1HB   PRO  20          HB2       PRO  20  12.800  -3.789  -0.762
  143   2HB   PRO  20          HB1       PRO  20  13.329  -3.111  -2.312
  144   1HG   PRO  20          HG2       PRO  20  14.836  -3.340   0.243
  145   2HG   PRO  20          HG1       PRO  20  15.452  -3.229  -1.411
  146   1HD   PRO  20          HD2       PRO  20  15.319  -1.127   0.515
  147   2HD   PRO  20          HD1       PRO  20  15.772  -0.979  -1.196
  148    H    GLU  21           HN       GLU  21  12.993  -0.468   1.312
  149    HA   GLU  21           HA       GLU  21  11.931  -2.232   3.172
  150   1HB   GLU  21          HB2       GLU  21  12.328   0.694   3.228
  151   2HB   GLU  21          HB1       GLU  21  11.541  -0.086   4.590
  152   1HG   GLU  21          HG2       GLU  21  13.747  -1.714   4.000
  153   2HG   GLU  21          HG1       GLU  21  14.355  -0.063   3.865
  154    HA   PRO  22           HA       PRO  22   7.699  -0.066   3.185
  155   1HB   PRO  22          HB2       PRO  22   7.078   1.276   0.861
  156   2HB   PRO  22          HB1       PRO  22   7.745   2.050   2.294
  157   1HG   PRO  22          HG2       PRO  22   9.100   1.362  -0.267
  158   2HG   PRO  22          HG1       PRO  22   9.464   2.663   0.880
  159   1HD   PRO  22          HD2       PRO  22  10.891   0.278   0.668
  160   2HD   PRO  22          HD1       PRO  22  10.928   1.346   2.077
  161    H    VAL  23           HN       VAL  23   8.459  -0.537  -0.243
  162    HA   VAL  23           HA       VAL  23   6.322  -2.199  -0.969
  163    HB   VAL  23           HB       VAL  23   9.244  -2.309  -1.744
  164   1HG1  VAL  23          HG11      VAL  23   6.892  -3.946  -2.643
  165   2HG1  VAL  23          HG12      VAL  23   8.557  -4.453  -2.352
  166   3HG1  VAL  23          HG13      VAL  23   8.154  -3.541  -3.806
  167   1HG2  VAL  23          HG21      VAL  23   8.661  -0.940  -3.547
  168   2HG2  VAL  23          HG22      VAL  23   7.593  -0.323  -2.286
  169   3HG2  VAL  23          HG23      VAL  23   6.970  -1.437  -3.503
  170    H    MET  24           HN       MET  24   9.110  -2.837   1.060
  171    HA   MET  24           HA       MET  24   8.842  -5.740   1.003
  172   1HB   MET  24          HB2       MET  24  10.373  -3.772   2.687
  173   2HB   MET  24          HB1       MET  24  10.285  -5.468   3.164
  174   1HG   MET  24          HG2       MET  24  10.999  -4.809   0.330
  175   2HG   MET  24          HG1       MET  24  12.230  -4.626   1.579
  176   1HE   MET  24          HE1       MET  24  10.724  -6.537  -0.899
  177   2HE   MET  24          HE2       MET  24  11.317  -8.187  -0.711
  178   3HE   MET  24          HE3       MET  24  12.463  -6.867  -0.925
  179    H    MET  25           HN       MET  25   7.777  -3.166   3.211
  180    HA   MET  25           HA       MET  25   6.707  -4.875   5.218
  181   1HB   MET  25          HB2       MET  25   6.077  -2.049   4.361
  182   2HB   MET  25          HB1       MET  25   5.181  -2.835   5.661
  183   1HG   MET  25          HG2       MET  25   7.903  -3.357   6.183
  184   2HG   MET  25          HG1       MET  25   7.815  -1.653   5.738
  185   1HE   MET  25          HE1       MET  25   7.274  -4.384   7.971
  186   2HE   MET  25          HE2       MET  25   6.672  -3.729   9.491
  187   3HE   MET  25          HE3       MET  25   8.278  -3.279   8.921
  188    H    VAL  26           HN       VAL  26   5.217  -3.488   2.276
  189    HA   VAL  26           HA       VAL  26   2.616  -4.629   2.769
  190    HB   VAL  26           HB       VAL  26   3.984  -3.989   0.140
  191   1HG1  VAL  26          HG11      VAL  26   1.614  -5.465   0.650
  192   2HG1  VAL  26          HG12      VAL  26   2.171  -4.848  -0.905
  193   3HG1  VAL  26          HG13      VAL  26   1.096  -3.875   0.095
  194   1HG2  VAL  26          HG21      VAL  26   2.171  -2.091   0.333
  195   2HG2  VAL  26          HG22      VAL  26   3.705  -1.928   1.186
  196   3HG2  VAL  26          HG23      VAL  26   2.262  -2.451   2.057
  197    H    ARG  27           HN       ARG  27   5.624  -5.891   1.541
  198    HA   ARG  27           HA       ARG  27   4.611  -8.239   0.240
  199   1HB   ARG  27          HB2       ARG  27   7.204  -7.226   1.048
  200   2HB   ARG  27          HB1       ARG  27   7.057  -8.944   1.442
  201   1HG   ARG  27          HG2       ARG  27   6.064  -8.132  -1.230
  202   2HG   ARG  27          HG1       ARG  27   7.805  -8.065  -0.999
  203   1HD   ARG  27          HD2       ARG  27   7.896 -10.378  -0.370
  204   2HD   ARG  27          HD1       ARG  27   6.139 -10.479  -0.264
  205    HE   ARG  27           HE       ARG  27   6.572  -9.746  -2.889
  206   1HH1  ARG  27          HH11      ARG  27   5.565 -12.470  -2.084
  207   2HH1  ARG  27          HH12      ARG  27   6.763 -13.510  -2.780
  208   1HH2  ARG  27          HH21      ARG  27   9.080 -10.973  -3.242
  209   2HH2  ARG  27          HH22      ARG  27   8.753 -12.663  -3.436
  210    H    LYS  28           HN       LYS  28   6.105  -7.914   3.413
  211    HA   LYS  28           HA       LYS  28   5.459 -10.498   4.396
  212   1HB   LYS  28          HB2       LYS  28   6.085  -7.871   5.739
  213   2HB   LYS  28          HB1       LYS  28   5.641  -9.285   6.696
  214   1HG   LYS  28          HG2       LYS  28   7.449 -10.551   5.395
  215   2HG   LYS  28          HG1       LYS  28   8.000  -8.972   4.833
  216   1HD   LYS  28          HD2       LYS  28   7.534  -9.085   7.733
  217   2HD   LYS  28          HD1       LYS  28   8.803 -10.178   7.178
  218   1HE   LYS  28          HE2       LYS  28   8.685  -7.276   6.335
  219   2HE   LYS  28          HE1       LYS  28   9.555  -7.808   7.775
  220   1HZ   LYS  28          HZ1       LYS  28  10.016  -9.013   5.111
  221   2HZ   LYS  28          HZ2       LYS  28  10.992  -9.122   6.498
  222   3HZ   LYS  28          HZ3       LYS  28  10.878  -7.655   5.648
  223    H    THR  29           HN       THR  29   3.748  -7.434   4.607
  224    HA   THR  29           HA       THR  29   1.527  -8.311   6.189
  225    HB   THR  29           HB       THR  29   2.215  -6.087   4.347
  226    HG1  THR  29           HG1      THR  29   1.430  -6.463   6.988
  227   1HG2  THR  29          HG21      THR  29  -0.082  -6.767   3.615
  228   2HG2  THR  29          HG22      THR  29   0.005  -5.138   4.278
  229   3HG2  THR  29          HG23      THR  29  -0.642  -6.453   5.258
  230    H    VAL  30           HN       VAL  30   2.325  -8.337   2.801
  231    HA   VAL  30           HA       VAL  30  -0.215  -9.281   1.806
  232    HB   VAL  30           HB       VAL  30   2.627  -9.197   0.778
  233   1HG1  VAL  30          HG11      VAL  30   1.840 -10.119  -1.352
  234   2HG1  VAL  30          HG12      VAL  30   0.258 -10.418  -0.632
  235   3HG1  VAL  30          HG13      VAL  30   1.675 -11.287  -0.042
  236   1HG2  VAL  30          HG21      VAL  30   0.431  -8.115  -0.849
  237   2HG2  VAL  30          HG22      VAL  30   1.956  -7.364  -0.379
  238   3HG2  VAL  30          HG23      VAL  30   0.585  -7.347   0.731
  239    H    ARG  31           HN       ARG  31   2.626 -10.648   3.234
  240    HA   ARG  31           HA       ARG  31   2.076 -13.425   2.548
  241   1HB   ARG  31          HB2       ARG  31   3.855 -12.199   4.681
  242   2HB   ARG  31          HB1       ARG  31   3.845 -13.905   4.235
  243   1HG   ARG  31          HG2       ARG  31   4.385 -13.152   1.851
  244   2HG   ARG  31          HG1       ARG  31   4.682 -11.558   2.522
  245   1HD   ARG  31          HD2       ARG  31   6.484 -13.739   2.412
  246   2HD   ARG  31          HD1       ARG  31   6.743 -12.163   3.153
  247    HE   ARG  31           HE       ARG  31   5.627 -13.239   5.230
  248   1HH1  ARG  31          HH21      ARG  31   6.203 -15.567   2.904
  249   2HH1  ARG  31          HH22      ARG  31   7.177 -16.590   3.907
  250   1HH2  ARG  31          HH11      ARG  31   7.386 -14.298   6.501
  251   2HH2  ARG  31          HH12      ARG  31   7.847 -15.873   5.943
  252    H    ASN  32           HN       ASN  32   1.292 -11.183   5.144
  253    HA   ASN  32           HA       ASN  32  -0.027 -13.416   6.625
  254   1HB   ASN  32          HB2       ASN  32   0.167 -12.166   8.584
  255   2HB   ASN  32          HB1       ASN  32   1.619 -11.671   7.716
  256   1HD2  ASN  32          HD21      ASN  32  -0.018 -10.124   9.734
  257   2HD2  ASN  32          HD22      ASN  32  -0.456  -8.689   8.942
  258    H    MET  33           HN       MET  33  -0.826 -11.535   4.190
  259    HA   MET  33           HA       MET  33  -3.474 -10.696   5.257
  260   1HB   MET  33          HB2       MET  33  -1.777  -9.863   2.941
  261   2HB   MET  33          HB1       MET  33  -3.527  -9.756   2.756
  262   1HG   MET  33          HG2       MET  33  -3.335  -8.626   5.161
  263   2HG   MET  33          HG1       MET  33  -1.723  -8.238   4.589
  264   1HE   MET  33          HE1       MET  33  -5.059  -8.872   3.358
  265   2HE   MET  33          HE2       MET  33  -5.326  -7.775   2.004
  266   3HE   MET  33          HE3       MET  33  -5.767  -7.275   3.635
  267    H    GLN  34           HN       GLN  34  -5.169 -10.916   3.289
  268    HA   GLN  34           HA       GLN  34  -4.908 -13.637   2.102
  269   1HB   GLN  34          HB2       GLN  34  -7.326 -12.552   3.582
  270   2HB   GLN  34          HB1       GLN  34  -7.275 -14.083   2.708
  271   1HG   GLN  34          HG2       GLN  34  -5.225 -14.619   4.215
  272   2HG   GLN  34          HG1       GLN  34  -5.826 -13.309   5.232
  273   1HE2  GLN  34          HE21      GLN  34  -6.160 -15.202   6.826
  274   2HE2  GLN  34          HE22      GLN  34  -7.617 -16.067   6.717
  275    HA   PRO  35           HA       PRO  35  -6.372 -11.548  -1.453
  276   1HB   PRO  35          HB2       PRO  35  -7.532 -13.668  -2.786
  277   2HB   PRO  35          HB1       PRO  35  -5.787 -13.386  -2.698
  278   1HG   PRO  35          HG2       PRO  35  -7.443 -15.391  -1.223
  279   2HG   PRO  35          HG1       PRO  35  -5.741 -15.483  -1.708
  280   1HD   PRO  35          HD2       PRO  35  -6.651 -14.893   0.887
  281   2HD   PRO  35          HD1       PRO  35  -5.016 -14.565   0.275
  282    H    GLY  36           HN       GLY  36  -8.013 -10.231  -1.325
  283   1HA   GLY  36          HA2       GLY  36 -10.416  -9.826  -1.790
  284   2HA   GLY  36          HA1       GLY  36 -10.764 -11.251  -0.799
  285    H    GLU  37           HN       GLU  37  -8.201  -9.085   0.086
  286    HA   GLU  37           HA       GLU  37  -9.888  -8.036   2.326
  287   1HB   GLU  37          HB2       GLU  37  -7.180  -9.294   2.302
  288   2HB   GLU  37          HB1       GLU  37  -7.465  -7.976   3.431
  289   1HG   GLU  37          HG2       GLU  37  -8.005 -10.098   4.515
  290   2HG   GLU  37          HG1       GLU  37  -9.483  -9.167   4.274
  291    H    THR  38           HN       THR  38  -8.312  -6.124   3.377
  292    HA   THR  38           HA       THR  38  -7.369  -4.487   1.071
  293    HB   THR  38           HB       THR  38  -8.455  -2.535   2.521
  294    HG1  THR  38           HG1      THR  38  -9.207  -4.471   3.910
  295   1HG2  THR  38          HG21      THR  38  -9.055  -2.789   0.249
  296   2HG2  THR  38          HG22      THR  38 -10.581  -2.958   1.117
  297   3HG2  THR  38          HG23      THR  38  -9.740  -4.391   0.524
  298    H    LEU  39           HN       LEU  39  -5.780  -2.936   1.586
  299    HA   LEU  39           HA       LEU  39  -4.672  -2.959   4.356
  300   1HB   LEU  39          HB2       LEU  39  -3.354  -4.639   3.258
  301   2HB   LEU  39          HB1       LEU  39  -3.199  -3.661   1.801
  302    HG   LEU  39           HG       LEU  39  -2.115  -1.935   3.539
  303   1HD1  LEU  39          HD11      LEU  39  -1.978  -4.627   4.833
  304   2HD1  LEU  39          HD12      LEU  39  -2.194  -3.040   5.568
  305   3HD1  LEU  39          HD13      LEU  39  -0.604  -3.532   4.992
  306   1HD2  LEU  39          HD21      LEU  39   0.030  -2.672   2.763
  307   2HD2  LEU  39          HD22      LEU  39  -1.115  -3.045   1.476
  308   3HD2  LEU  39          HD23      LEU  39  -0.547  -4.325   2.547
  309    H    LEU  40           HN       LEU  40  -4.600  -0.788   4.875
  310    HA   LEU  40           HA       LEU  40  -4.357   1.213   2.722
  311   1HB   LEU  40          HB2       LEU  40  -5.975   1.705   4.471
  312   2HB   LEU  40          HB1       LEU  40  -4.753   1.477   5.721
  313    HG   LEU  40           HG       LEU  40  -3.475   3.347   4.322
  314   1HD1  LEU  40          HD11      LEU  40  -5.037   4.972   3.362
  315   2HD1  LEU  40          HD12      LEU  40  -6.401   3.933   3.774
  316   3HD1  LEU  40          HD13      LEU  40  -5.233   3.413   2.561
  317   1HD2  LEU  40          HD21      LEU  40  -5.819   3.970   6.148
  318   2HD2  LEU  40          HD22      LEU  40  -4.433   5.018   5.841
  319   3HD2  LEU  40          HD23      LEU  40  -4.213   3.492   6.696
  320    H    ILE  41           HN       ILE  41  -2.515   2.533   2.497
  321    HA   ILE  41           HA       ILE  41  -0.239   1.876   4.313
  322    HB   ILE  41           HB       ILE  41   0.067   2.234   1.332
  323   1HG1  ILE  41          HG12      ILE  41  -0.671  -0.218   2.932
  324   2HG1  ILE  41          HG11      ILE  41  -1.326   0.343   1.403
  325   1HG2  ILE  41          HG21      ILE  41   2.257   1.958   1.787
  326   2HG2  ILE  41          HG22      ILE  41   1.935   0.488   2.701
  327   3HG2  ILE  41          HG23      ILE  41   1.857   2.055   3.500
  328   1HD1  ILE  41          HD11      ILE  41   0.175  -1.644   1.150
  329   2HD1  ILE  41          HD12      ILE  41   1.508  -0.659   1.751
  330   3HD1  ILE  41          HD13      ILE  41   0.717  -0.238   0.232
  331    H    ILE  42           HN       ILE  42   1.297   3.557   4.579
  332    HA   ILE  42           HA       ILE  42   0.539   6.180   3.414
  333    HB   ILE  42           HB       ILE  42   1.806   5.718   6.127
  334   1HG1  ILE  42          HG12      ILE  42  -1.045   5.812   5.239
  335   2HG1  ILE  42          HG11      ILE  42  -0.314   4.922   6.574
  336   1HG2  ILE  42          HG21      ILE  42   1.741   8.018   6.376
  337   2HG2  ILE  42          HG22      ILE  42   0.345   8.199   5.316
  338   3HG2  ILE  42          HG23      ILE  42   1.942   7.932   4.629
  339   1HD1  ILE  42          HD11      ILE  42  -1.177   7.786   6.453
  340   2HD1  ILE  42          HD12      ILE  42   0.115   7.309   7.557
  341   3HD1  ILE  42          HD13      ILE  42  -1.485   6.582   7.705
  342    H    ALA  43           HN       ALA  43   2.422   7.491   2.961
  343    HA   ALA  43           HA       ALA  43   5.058   6.336   3.377
  344   1HB   ALA  43          HB1       ALA  43   3.753   5.287   1.234
  345   2HB   ALA  43          HB2       ALA  43   5.504   5.475   1.310
  346   3HB   ALA  43          HB3       ALA  43   4.521   6.686   0.485
  347    H    ASP  44           HN       ASP  44   6.423   8.006   3.524
  348    HA   ASP  44           HA       ASP  44   5.572  10.564   2.278
  349   1HB   ASP  44          HB2       ASP  44   7.035  11.714   3.822
  350   2HB   ASP  44          HB1       ASP  44   6.011  10.637   4.760
  351    H    ASP  45           HN       ASP  45   7.836   7.955   2.372
  352    HA   ASP  45           HA       ASP  45   9.986   9.186   0.943
  353   1HB   ASP  45          HB2       ASP  45  10.464   7.112   1.827
  354   2HB   ASP  45          HB1       ASP  45   8.922   6.451   1.324
  355    HA   PRO  46           HA       PRO  46   7.908   9.827  -2.906
  356   1HB   PRO  46          HB2       PRO  46  10.143  10.282  -4.439
  357   2HB   PRO  46          HB1       PRO  46   9.466  11.476  -3.319
  358   1HG   PRO  46          HG2       PRO  46  11.918   9.808  -3.030
  359   2HG   PRO  46          HG1       PRO  46  11.532  11.371  -2.291
  360   1HD   PRO  46          HD2       PRO  46  11.386   8.844  -1.016
  361   2HD   PRO  46          HD1       PRO  46  10.719  10.364  -0.400
  362    H    ALA  47           HN       ALA  47  10.277   7.377  -2.405
  363    HA   ALA  47           HA       ALA  47   9.845   6.126  -5.046
  364   1HB   ALA  47          HB1       ALA  47  11.516   5.359  -2.641
  365   2HB   ALA  47          HB2       ALA  47  12.084   5.947  -4.202
  366   3HB   ALA  47          HB3       ALA  47  11.376   4.338  -4.070
  367    H    THR  48           HN       THR  48   8.136   6.196  -2.198
  368    HA   THR  48           HA       THR  48   7.347   3.354  -2.229
  369    HB   THR  48           HB       THR  48   5.663   4.256  -0.468
  370    HG1  THR  48           HG1      THR  48   7.077   6.299   0.291
  371   1HG2  THR  48          HG21      THR  48   7.191   3.443   0.962
  372   2HG2  THR  48          HG22      THR  48   8.229   4.846   0.720
  373   3HG2  THR  48          HG23      THR  48   8.356   3.460  -0.361
  374    H    THR  49           HN       THR  49   5.948   6.523  -3.012
  375    HA   THR  49           HA       THR  49   3.328   5.686  -3.664
  376    HB   THR  49           HB       THR  49   3.052   7.741  -4.690
  377    HG1  THR  49           HG1      THR  49   4.181   8.155  -6.389
  378   1HG2  THR  49          HG21      THR  49   5.712   8.623  -3.738
  379   2HG2  THR  49          HG22      THR  49   4.698   7.826  -2.536
  380   3HG2  THR  49          HG23      THR  49   4.112   9.265  -3.370
  381    H    ARG  50           HN       ARG  50   6.334   5.484  -5.481
  382    HA   ARG  50           HA       ARG  50   4.856   4.339  -7.791
  383   1HB   ARG  50          HB2       ARG  50   7.694   5.246  -7.374
  384   2HB   ARG  50          HB1       ARG  50   7.217   4.335  -8.806
  385   1HG   ARG  50          HG2       ARG  50   5.789   6.032  -9.573
  386   2HG   ARG  50          HG1       ARG  50   5.652   6.767  -7.975
  387   1HD   ARG  50          HD2       ARG  50   8.302   7.039  -8.324
  388   2HD   ARG  50          HD1       ARG  50   7.804   7.054 -10.015
  389    HE   ARG  50           HE       ARG  50   7.625   9.304  -8.455
  390   1HH1  ARG  50          HH21      ARG  50   6.152   8.436 -11.155
  391   2HH1  ARG  50          HH22      ARG  50   4.585   9.092 -10.816
  392   1HH2  ARG  50          HH11      ARG  50   5.243   9.621  -7.452
  393   2HH2  ARG  50          HH12      ARG  50   4.071   9.763  -8.719
  394    H    ASP  51           HN       ASP  51   7.301   3.342  -5.432
  395    HA   ASP  51           HA       ASP  51   7.584   0.723  -6.698
  396   1HB   ASP  51          HB2       ASP  51   8.615   1.704  -4.023
  397   2HB   ASP  51          HB1       ASP  51   9.153   0.259  -4.884
  398    H    ILE  52           HN       ILE  52   6.226   1.818  -3.561
  399    HA   ILE  52           HA       ILE  52   5.544  -0.699  -2.559
  400    HB   ILE  52           HB       ILE  52   4.474   2.039  -2.171
  401   1HG1  ILE  52          HG12      ILE  52   5.525  -0.190  -0.426
  402   2HG1  ILE  52          HG11      ILE  52   6.338   1.316  -0.853
  403   1HG2  ILE  52          HG21      ILE  52   2.750   1.124  -0.560
  404   2HG2  ILE  52          HG22      ILE  52   3.004  -0.463  -1.288
  405   3HG2  ILE  52          HG23      ILE  52   2.360   0.861  -2.259
  406   1HD1  ILE  52          HD11      ILE  52   5.319   1.313   1.454
  407   2HD1  ILE  52          HD12      ILE  52   3.735   1.199   0.687
  408   3HD1  ILE  52          HD13      ILE  52   4.748   2.616   0.410
  409    HA   PRO  53           HA       PRO  53   1.435  -0.654  -4.883
  410   1HB   PRO  53          HB2       PRO  53   1.273   1.028  -7.048
  411   2HB   PRO  53          HB1       PRO  53   0.663   1.407  -5.427
  412   1HG   PRO  53          HG2       PRO  53   3.090   2.433  -6.821
  413   2HG   PRO  53          HG1       PRO  53   2.140   3.181  -5.526
  414   1HD   PRO  53          HD2       PRO  53   4.620   1.869  -5.207
  415   2HD   PRO  53          HD1       PRO  53   3.503   2.310  -3.896
  416    H    GLY  54           HN       GLY  54   4.051   0.342  -7.118
  417   1HA   GLY  54          HA2       GLY  54   3.511  -1.464  -9.190
  418   2HA   GLY  54          HA1       GLY  54   5.157  -0.987  -8.737
  419    H    PHE  55           HN       PHE  55   4.669  -2.068  -5.948
  420    HA   PHE  55           HA       PHE  55   5.515  -4.805  -6.551
  421   1HB   PHE  55          HB2       PHE  55   6.589  -4.120  -4.622
  422   2HB   PHE  55          HB1       PHE  55   5.234  -3.123  -4.094
  423    HD1  PHE  55           HD1      PHE  55   5.353  -6.737  -5.086
  424    HD2  PHE  55           HD2      PHE  55   4.625  -3.893  -1.961
  425    HE1  PHE  55           HE1      PHE  55   4.528  -8.552  -3.632
  426    HE2  PHE  55           HE2      PHE  55   3.801  -5.722  -0.519
  427    HZ   PHE  55           HZ       PHE  55   3.739  -8.046  -1.349
  428    H    CYS  56           HN       CYS  56   2.692  -3.365  -4.829
  429    HA   CYS  56           HA       CYS  56   1.314  -5.769  -4.369
  430   1HB   CYS  56          HB2       CYS  56   0.367  -2.974  -4.973
  431   2HB   CYS  56          HB1       CYS  56  -0.771  -4.282  -4.642
  432    HG   CYS  56           HG       CYS  56  -0.268  -3.454  -2.290
  433    H    THR  57           HN       THR  57   1.489  -3.849  -7.335
  434    HA   THR  57           HA       THR  57  -0.502  -5.291  -8.789
  435    HB   THR  57           HB       THR  57   2.025  -4.048  -9.915
  436    HG1  THR  57           HG1      THR  57   0.509  -2.763  -8.503
  437   1HG2  THR  57          HG21      THR  57  -0.003  -5.530 -11.128
  438   2HG2  THR  57          HG22      THR  57   1.137  -4.461 -11.945
  439   3HG2  THR  57          HG23      THR  57  -0.442  -3.852 -11.449
  440    H    PHE  58           HN       PHE  58   2.963  -5.880  -8.300
  441    HA   PHE  58           HA       PHE  58   3.171  -8.082 -10.124
  442   1HB   PHE  58          HB2       PHE  58   5.055  -6.743  -8.967
  443   2HB   PHE  58          HB1       PHE  58   4.804  -7.828  -7.600
  444    HD1  PHE  58           HD1      PHE  58   6.381  -7.419 -10.793
  445    HD2  PHE  58           HD2      PHE  58   4.855 -10.370  -8.071
  446    HE1  PHE  58           HE1      PHE  58   7.738  -9.162 -11.923
  447    HE2  PHE  58           HE2      PHE  58   6.212 -12.113  -9.200
  448    HZ   PHE  58           HZ       PHE  58   7.653 -11.508 -11.125
  449    H    MET  59           HN       MET  59   2.199  -7.905  -6.713
  450    HA   MET  59           HA       MET  59   2.155 -10.809  -6.444
  451   1HB   MET  59          HB2       MET  59   1.554  -8.508  -4.714
  452   2HB   MET  59          HB1       MET  59   0.771 -10.027  -4.314
  453   1HG   MET  59          HG2       MET  59   3.736  -9.822  -4.844
  454   2HG   MET  59          HG1       MET  59   3.049  -9.630  -3.230
  455   1HE   MET  59          HE1       MET  59   4.460 -11.452  -5.721
  456   2HE   MET  59          HE2       MET  59   3.188 -12.525  -6.301
  457   3HE   MET  59          HE3       MET  59   4.448 -13.155  -5.243
  458    H    GLU  60           HN       GLU  60   0.177  -8.842  -8.154
  459    HA   GLU  60           HA       GLU  60  -1.899  -9.368  -9.158
  460   1HB   GLU  60          HB2       GLU  60  -1.144 -11.803  -8.020
  461   2HB   GLU  60          HB1       GLU  60  -2.753 -11.499  -7.367
  462   1HG   GLU  60          HG2       GLU  60  -3.670 -11.215  -9.592
  463   2HG   GLU  60          HG1       GLU  60  -2.063 -11.304 -10.312
  464    H    HIS  61           HN       HIS  61  -1.410  -7.754  -6.612
  465    HA   HIS  61           HA       HIS  61  -4.043  -7.966  -5.293
  466   1HB   HIS  61          HB2       HIS  61  -1.698  -6.127  -4.716
  467   2HB   HIS  61          HB1       HIS  61  -3.104  -6.390  -3.690
  468    HD1  HIS  61           HD1      HIS  61  -2.819  -9.575  -4.794
  469    HD2  HIS  61           HD2      HIS  61  -0.273  -7.331  -2.379
  470    HE1  HIS  61           HE1      HIS  61  -1.398 -11.228  -3.532
  471    H    GLU  62           HN       GLU  62  -5.033  -5.658  -4.823
  472    HA   GLU  62           HA       GLU  62  -4.901  -4.111  -7.379
  473   1HB   GLU  62          HB2       GLU  62  -7.180  -5.121  -5.777
  474   2HB   GLU  62          HB1       GLU  62  -7.366  -3.534  -6.504
  475   1HG   GLU  62          HG2       GLU  62  -6.190  -5.458  -8.363
  476   2HG   GLU  62          HG1       GLU  62  -7.768  -5.990  -7.779
  477    H    LEU  63           HN       LEU  63  -4.962  -1.913  -7.238
  478    HA   LEU  63           HA       LEU  63  -4.354  -0.704  -4.612
  479   1HB   LEU  63          HB2       LEU  63  -3.018   0.312  -6.249
  480   2HB   LEU  63          HB1       LEU  63  -4.261   0.178  -7.487
  481    HG   LEU  63           HG       LEU  63  -5.578   1.928  -6.152
  482   1HD1  LEU  63          HD11      LEU  63  -3.196   3.103  -5.009
  483   2HD1  LEU  63          HD12      LEU  63  -3.465   1.496  -4.332
  484   3HD1  LEU  63          HD13      LEU  63  -4.729   2.723  -4.223
  485   1HD2  LEU  63          HD21      LEU  63  -3.103   3.304  -6.936
  486   2HD2  LEU  63          HD22      LEU  63  -4.733   3.460  -7.593
  487   3HD2  LEU  63          HD23      LEU  63  -3.683   2.153  -8.141
  488    H    VAL  64           HN       VAL  64  -6.291  -0.612  -3.408
  489    HA   VAL  64           HA       VAL  64  -8.807  -0.266  -4.701
  490    HB   VAL  64           HB       VAL  64  -7.880  -0.178  -1.833
  491   1HG1  VAL  64          HG11      VAL  64 -10.370  -0.499  -1.412
  492   2HG1  VAL  64          HG12      VAL  64 -10.612   0.062  -3.065
  493   3HG1  VAL  64          HG13      VAL  64  -9.864   1.125  -1.873
  494   1HG2  VAL  64          HG21      VAL  64  -9.755  -2.233  -2.727
  495   2HG2  VAL  64          HG22      VAL  64  -8.219  -2.411  -1.881
  496   3HG2  VAL  64          HG23      VAL  64  -8.245  -2.257  -3.638
  497    H    ALA  65           HN       ALA  65  -6.815   2.033  -2.704
  498    HA   ALA  65           HA       ALA  65  -8.093   4.195  -4.310
  499   1HB   ALA  65          HB1       ALA  65  -8.765   3.605  -1.540
  500   2HB   ALA  65          HB2       ALA  65  -9.538   4.723  -2.666
  501   3HB   ALA  65          HB3       ALA  65  -8.141   5.244  -1.723
  502    H    LYS  66           HN       LYS  66  -6.524   5.778  -4.801
  503    HA   LYS  66           HA       LYS  66  -3.994   5.542  -3.304
  504   1HB   LYS  66          HB2       LYS  66  -4.349   7.349  -5.634
  505   2HB   LYS  66          HB1       LYS  66  -2.935   6.411  -5.155
  506   1HG   LYS  66          HG2       LYS  66  -3.651   5.108  -6.848
  507   2HG   LYS  66          HG1       LYS  66  -4.640   4.408  -5.598
  508   1HD   LYS  66          HD2       LYS  66  -6.405   4.884  -6.930
  509   2HD   LYS  66          HD1       LYS  66  -6.143   6.567  -6.470
  510   1HE   LYS  66          HE2       LYS  66  -4.414   6.613  -8.398
  511   2HE   LYS  66          HE1       LYS  66  -5.196   5.130  -8.947
  512   1HZ   LYS  66          HZ1       LYS  66  -6.017   7.552  -9.646
  513   2HZ   LYS  66          HZ2       LYS  66  -6.962   7.332  -8.250
  514   3HZ   LYS  66          HZ3       LYS  66  -7.061   6.221  -9.532
  515    H    GLU  67           HN       GLU  67  -2.885   7.493  -2.730
  516    HA   GLU  67           HA       GLU  67  -4.616   9.851  -2.269
  517   1HB   GLU  67          HB2       GLU  67  -3.279   8.158  -0.274
  518   2HB   GLU  67          HB1       GLU  67  -3.232   9.875   0.006
  519   1HG   GLU  67          HG2       GLU  67  -5.873   9.261  -0.805
  520   2HG   GLU  67          HG1       GLU  67  -5.420   8.052   0.396
  521    H    THR  68           HN       THR  68  -3.580  11.414  -3.385
  522    HA   THR  68           HA       THR  68  -0.651  11.787  -2.920
  523    HB   THR  68           HB       THR  68  -0.244  12.159  -5.257
  524    HG1  THR  68           HG1      THR  68  -2.858  11.561  -5.995
  525   1HG2  THR  68          HG21      THR  68  -1.005   9.986  -6.267
  526   2HG2  THR  68          HG22      THR  68  -2.007   9.732  -4.838
  527   3HG2  THR  68          HG23      THR  68  -0.251   9.809  -4.682
  528    H    ASP  69           HN       ASP  69  -3.050  13.038  -1.802
  529    HA   ASP  69           HA       ASP  69  -3.386  15.616  -3.118
  530   1HB   ASP  69          HB2       ASP  69  -4.160  14.719  -0.335
  531   2HB   ASP  69          HB1       ASP  69  -4.726  16.192  -1.126
  532    H    GLY  70           HN       GLY  70  -0.827  14.431  -1.600
  533   1HA   GLY  70          HA2       GLY  70   0.992  16.186  -1.391
  534   2HA   GLY  70          HA1       GLY  70  -0.092  16.932  -0.248
  535    H    LEU  71           HN       LEU  71   2.504  15.239  -0.358
  536    HA   LEU  71           HA       LEU  71   2.568  12.962   1.054
  537   1HB   LEU  71          HB2       LEU  71   4.238  15.385   1.738
  538   2HB   LEU  71          HB1       LEU  71   4.599  13.743   2.228
  539    HG   LEU  71           HG       LEU  71   4.110  14.193  -0.642
  540   1HD1  LEU  71          HD11      LEU  71   5.656  15.863  -0.722
  541   2HD1  LEU  71          HD12      LEU  71   6.824  14.567  -0.468
  542   3HD1  LEU  71          HD13      LEU  71   6.241  15.509   0.904
  543   1HD2  LEU  71          HD21      LEU  71   5.886  12.473   1.082
  544   2HD2  LEU  71          HD22      LEU  71   6.079  12.548  -0.669
  545   3HD2  LEU  71          HD23      LEU  71   4.570  11.960   0.028
  546    HA   PRO  72           HA       PRO  72   3.437  11.924   2.467
  547   1HB   PRO  72          HB2       PRO  72   2.466   9.931   4.056
  548   2HB   PRO  72          HB1       PRO  72   3.724  11.060   4.599
  549   1HG   PRO  72          HG2       PRO  72   0.834  10.980   5.294
  550   2HG   PRO  72          HG1       PRO  72   2.194  11.563   6.273
  551   1HD   PRO  72          HD2       PRO  72   0.372  13.189   4.846
  552   2HD   PRO  72          HD1       PRO  72   1.946  13.718   5.483
  553    H    TYR  73           HN       TYR  73   2.831  10.274   1.025
  554    HA   TYR  73           HA       TYR  73   0.209  10.377  -0.139
  555   1HB   TYR  73          HB2       TYR  73   2.072   8.116  -0.565
  556   2HB   TYR  73          HB1       TYR  73   0.969   8.853  -1.715
  557    HD1  TYR  73           HD1      TYR  73   4.230   8.727  -0.408
  558    HD2  TYR  73           HD2      TYR  73   1.492  11.271  -2.468
  559    HE1  TYR  73           HE1      TYR  73   6.140  10.039  -1.260
  560    HE2  TYR  73           HE2      TYR  73   3.369  12.644  -3.305
  561    HH   TYR  73           HH       TYR  73   6.755  11.837  -2.443
  562    H    ARG  74           HN       ARG  74  -1.137   8.366  -0.473
  563    HA   ARG  74           HA       ARG  74  -0.728   6.256   1.487
  564   1HB   ARG  74          HB2       ARG  74  -3.008   8.186   1.575
  565   2HB   ARG  74          HB1       ARG  74  -3.288   6.489   1.981
  566   1HG   ARG  74          HG2       ARG  74  -1.993   6.551   3.831
  567   2HG   ARG  74          HG1       ARG  74  -0.917   7.764   3.182
  568   1HD   ARG  74          HD2       ARG  74  -2.068   9.414   4.207
  569   2HD   ARG  74          HD1       ARG  74  -3.575   8.858   3.478
  570    HE   ARG  74           HE       ARG  74  -2.956   7.096   5.614
  571   1HH1  ARG  74          HH11      ARG  74  -4.474  10.030   4.785
  572   2HH1  ARG  74          HH12      ARG  74  -4.951  10.417   6.404
  573   1HH2  ARG  74          HH21      ARG  74  -3.267   7.740   7.825
  574   2HH2  ARG  74          HH22      ARG  74  -4.267   9.122   8.125
  575    H    TYR  75           HN       TYR  75  -1.895   4.371   0.887
  576    HA   TYR  75           HA       TYR  75  -3.402   4.489  -1.611
  577   1HB   TYR  75          HB2       TYR  75  -1.206   2.520  -1.637
  578   2HB   TYR  75          HB1       TYR  75  -1.982   3.360  -2.978
  579    HD1  TYR  75           HD1      TYR  75  -1.485   5.918  -3.197
  580    HD2  TYR  75           HD2      TYR  75   0.760   3.224  -0.802
  581    HE1  TYR  75           HE1      TYR  75   0.441   7.478  -3.296
  582    HE2  TYR  75           HE2      TYR  75   2.717   4.769  -0.861
  583    HH   TYR  75           HH       TYR  75   3.304   6.961  -1.341
  584    H    LEU  76           HN       LEU  76  -5.074   3.055  -1.299
  585    HA   LEU  76           HA       LEU  76  -4.717   1.059   0.740
  586   1HB   LEU  76          HB2       LEU  76  -6.886   2.182   0.647
  587   2HB   LEU  76          HB1       LEU  76  -7.117   1.626  -0.994
  588    HG   LEU  76           HG       LEU  76  -6.762  -0.725  -0.089
  589   1HD1  LEU  76          HD11      LEU  76  -5.812   0.215   2.099
  590   2HD1  LEU  76          HD12      LEU  76  -6.975  -1.104   2.241
  591   3HD1  LEU  76          HD13      LEU  76  -7.484   0.557   2.541
  592   1HD2  LEU  76          HD21      LEU  76  -9.181   0.042   1.229
  593   2HD2  LEU  76          HD22      LEU  76  -8.960  -0.807  -0.300
  594   3HD2  LEU  76          HD23      LEU  76  -8.986   0.957  -0.264
  595    H    ILE  77           HN       ILE  77  -4.926  -1.284   0.106
  596    HA   ILE  77           HA       ILE  77  -4.988  -1.731  -2.799
  597    HB   ILE  77           HB       ILE  77  -2.839  -2.894  -1.034
  598   1HG1  ILE  77          HG12      ILE  77  -2.925  -0.365  -2.678
  599   2HG1  ILE  77          HG11      ILE  77  -2.411  -0.565  -1.007
  600   1HG2  ILE  77          HG21      ILE  77  -2.667  -2.543  -4.010
  601   2HG2  ILE  77          HG22      ILE  77  -3.660  -3.856  -3.375
  602   3HG2  ILE  77          HG23      ILE  77  -1.943  -3.786  -2.992
  603   1HD1  ILE  77          HD11      ILE  77  -0.953  -1.835  -3.334
  604   2HD1  ILE  77          HD12      ILE  77  -0.405  -1.695  -1.664
  605   3HD1  ILE  77          HD13      ILE  77  -0.527  -0.256  -2.675
  606    H    ARG  78           HN       ARG  78  -6.750  -3.094  -2.914
  607    HA   ARG  78           HA       ARG  78  -7.385  -4.902  -0.738
  608   1HB   ARG  78          HB2       ARG  78  -9.237  -4.222  -2.045
  609   2HB   ARG  78          HB1       ARG  78  -8.403  -4.569  -3.558
  610   1HG   ARG  78          HG2       ARG  78  -8.569  -6.942  -3.198
  611   2HG   ARG  78          HG1       ARG  78  -9.141  -6.709  -1.547
  612   1HD   ARG  78          HD2       ARG  78 -11.226  -6.854  -2.418
  613   2HD   ARG  78          HD1       ARG  78 -10.943  -5.224  -3.031
  614    HE   ARG  78           HE       ARG  78  -9.947  -6.534  -5.087
  615   1HH1  ARG  78          HH21      ARG  78 -12.962  -6.009  -4.921
  616   2HH1  ARG  78          HH22      ARG  78 -13.588  -7.572  -5.328
  617   1HH2  ARG  78          HH11      ARG  78 -10.574  -9.206  -4.812
  618   2HH2  ARG  78          HH12      ARG  78 -12.236  -9.382  -5.266
  619    H    LYS  79           HN       LYS  79  -5.953  -6.546  -0.301
  620    HA   LYS  79           HA       LYS  79  -4.128  -7.784  -2.059
  621   1HB   LYS  79          HB2       LYS  79  -5.596  -8.817   0.379
  622   2HB   LYS  79          HB1       LYS  79  -4.414  -9.801  -0.486
  623   1HG   LYS  79          HG2       LYS  79  -3.940  -7.119   0.838
  624   2HG   LYS  79          HG1       LYS  79  -3.244  -8.671   1.299
  625   1HD   LYS  79          HD2       LYS  79  -1.488  -8.049   0.005
  626   2HD   LYS  79          HD1       LYS  79  -2.529  -8.494  -1.348
  627   1HE   LYS  79          HE2       LYS  79  -2.010  -6.325  -1.961
  628   2HE   LYS  79          HE1       LYS  79  -3.451  -6.022  -0.990
  629   1HZ   LYS  79          HZ1       LYS  79  -0.638  -5.534  -0.349
  630   2HZ   LYS  79          HZ2       LYS  79  -1.681  -5.959   0.924
  631   3HZ   LYS  79          HZ3       LYS  79  -2.004  -4.583  -0.020
  632    H    GLY  80           HN       GLY  80  -4.309  -9.726  -3.315
  633   1HA   GLY  80          HA2       GLY  80  -6.818 -11.133  -3.619
  634   2HA   GLY  80          HA1       GLY  80  -6.550 -10.003  -4.947
  635    H    GLY  81           HN       GLY  81  -6.565 -12.262  -6.056
  636   1HA   GLY  81          HA2       GLY  81  -5.369 -13.996  -7.105
  637   2HA   GLY  81          HA1       GLY  81  -4.039 -12.838  -7.109