*HEADER    ELECTRON TRANSPORT                      14-JAN-05   1YJJ              
*TITLE     RDC-REFINED SOLUTION NMR STRUCTURE OF OXIDIZED PUTIDAREDOXIN          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PUTIDAREDOXIN;                                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: PDX;                                                        
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA;                             
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 GENE: CAMB;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: NCM533;                                    
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PUC19;                                
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PKM536                                    
*KEYWDS    FERREDOXIN, [2FE-2S], REDOX, IRON-SULFUR, ELECTRON TRANSFER,          
*KEYWDS   2 NMR, CYTOCHROME P450CAM                                              
*EXPDTA    NMR, 15 STRUCTURES                                                    
*AUTHOR    N. U.JAIN, E.TJIOE, A.SAVIDOR, J.BOULIE                               
*REVDAT   1   28-JUN-05 1YJJ    0                                                


!NOE table for oxidized Pdx.
!NOE to side-chains of Tyr33, Trp106 have been removed
!Paramagnetic 13C and 15N distance constraints to the metal center have been added
!GaPdx restraints have been removed
!Artificial broadening restraints have been removed
!Table is set up in order of first residue of the constraint,
! all constraints (N-C).  N,ha,hb1,hb2,hg.... order of restraints.  
!Commented constraints were not identified unambigously
!and are not used in the calculations.    
!Constraints which involve methyl groups, add 1 A
! for each methyl involved.  Constraints involving phe and tyr
! ring protons, add 2.4 A.
! Use sums of van der waals radii (1.8 A) for inner limit.  Use a range of 
!1.8-3.0 A for strong, 1.8-4.0 for medium and 1.8-5.0 for weak NOEs.
!    
!Interresidue constraints, with 3d noes added 5A
!

! 15N - FE oxidized constraints 
! ------------------------------------------------------------
assign (resid 38 and name N) (resid 107 and name FE1) 4.5  0.5  0.5 
assign (resid 39 and name N) (resid 107 and name FE1) 4.4  0.5  0.5 
assign (resid 40 and name N) (resid 107 and name FE1) 4.7  0.5  0.5 
assign (resid 41 and name N) (resid 107 and name FE1) 3.9  0.5  0.5 
assign (resid 42 and name N) (resid 107 and name FE1) 4.7  0.5  0.5 
assign (resid 43 and name N) (resid 107 and name FE1) 4.5  0.5  0.5 
assign (resid 44 and name N) (resid 107 and name FE1) 4.5  0.5  0.5 
assign (resid 45 and name N) (resid 107 and name FE1) 4.0  0.5  0.5 
assign (resid 46 and name N) (resid 107 and name FE1) 4.5  0.5  0.5 
assign (resid 47 and name N) (resid 107 and name FE1) 4.4  0.5  0.5 
assign (resid 48 and name N) (resid 107 and name FE2) 4.8  0.5  0.5 
assign (resid 84 and name N) (resid 107 and name FE2) 4.7  0.5  0.5 
assign (resid 85 and name N) (resid 107 and name FE2) 4.7  0.5  0.5 
assign (resid 86 and name N) (resid 107 and name FE2) 4.6  0.5  0.5 
assign (resid 87 and name N) (resid 107 and name FE2) 4.6  0.5  0.5 

! 13C - FE oxidized constraints 
! ------------------------------------------------------------
assign (resid 38 and name C) (resid 107 and name FE1) 5.7  0.8  0.8 
assign (resid 39 and name C) (resid 107 and name FE1) 5.3  0.8  0.8 
assign (resid 40 and name C) (resid 107 and name FE1) 5.5  0.8  0.8
assign (resid 41 and name C) (resid 107 and name FE1) 5.5  0.8  0.8 
assign (resid 42 and name C) (resid 107 and name FE1) 5.8  0.8  0.8 
assign (resid 43 and name C) (resid 107 and name FE1) 5.2  0.8  0.8 
assign (resid 44 and name C) (resid 107 and name FE1) 5.2  0.8  0.8 
assign (resid 45 and name C) (resid 107 and name FE1) 4.7  0.8  0.8 
assign (resid 46 and name C) (resid 107 and name FE1) 5.3  0.8  0.8 
assign (resid 48 and name C) (resid 107 and name FE2) 5.9  0.8  0.8 
assign (resid 84 and name C) (resid 107 and name FE2) 6.3  0.8  0.8 
assign (resid 85 and name C) (resid 107 and name FE2) 6.3  0.8  0.8 
assign (resid 86 and name C) (resid 107 and name FE2) 5.9  0.8  0.8

assign (resid 1 and name ha)
 (resid 2 and name hn)
    3.00     1.20     0.30
assign (resid 1 and name hb2)
 (resid 2 and name hn)
    3.00     1.20     0.30
assign (resid 1 and name hb1)
 (resid 2 and name hn)
    4.00     2.20     0.30
assign (resid 1 and name hb1)
 (resid 17 and name hn)
    5.00     3.20     0.30
assign (resid 1 and name hb2)
 (resid 90 and name he1)
    3.00     1.20     0.30
assign (resid 1 and name ha)
 (resid 92 and name ha)
    3.00     1.20     0.30
assign (resid 1 and name hb*)
 (resid 95 and name ha)
    3.00     1.20     0.30
assign (resid 1 and name hb2)
 (resid 96 and name hn)
    4.00     2.20     0.30
assign (resid 1 and name hb1)
 (resid 96 and name hn)
    5.00     3.20     0.30
assign (resid 2 and name hn)
 (resid 3 and name hn)
    5.00     3.20     0.30
assign (resid 2 and name ha)
(resid 3 and name hn)
    3.00     1.20     0.30
assign (resid 2 and name hb*)
 (resid 3 and name hn)
    3.00     1.20     0.30
assign (resid 2 and name hg*)
 (resid 3 and name hn)
    4.00     2.20     0.30
assign (resid 2 and name hd2*)
 (resid 3 and name hn)
 4.00 2.20 0.30
assign (resid 2 and name ha)
 (resid 16 and name ha)
    3.00     1.20     0.30
assign (resid 2 and name ha)
 (resid 17 and name hn)
    4.00     2.20     0.30
assign (resid 2 and name hb*)
 (resid 95 and name ha)
    4.00     2.20     0.30
assign (resid 2 and name hg*)
 (resid 96 and name hn)
    4.00     2.20     0.30
assign (resid 2 and name hn)
 (resid 96 and name ha*)
    4.00     2.20     0.30
assign (resid 2 and name hb*)
 (resid 96 and name ha2)
    3.00     1.20     0.30
assign (resid 2 and name hb1)
 (resid 96 and name hn)
    3.00     1.20     0.30
assign (resid 2 and name hb2)
 (resid 96 and name hn)
    3.00     1.20     0.30
assign (resid 2 and name hn)
 (resid 97 and name hn)
    4.00     2.20     0.30
assign (resid 2 and name hb1)
 (resid 97 and name hn)
    4.00     2.20     0.30
assign (resid 2 and name hb2)
 (resid 97 and name hn)
    5.00     3.20     0.30
assign (resid 3 and name ha)
 (resid 4 and name hn)
    3.00     1.20     0.30
assign (resid 3 and name hg1*)
 (resid 4 and name hn)
    3.00     1.20     0.30
assign (resid 3 and name hg2*)
 (resid 4 and name hn)
    4.00     2.20     0.30
assign (resid 3 and name hg1*)
 (resid 5 and name hd*)
    3.00     1.20     0.30
assign (resid 3 and name hg1*)
 (resid 5 and name hh)
    3.00     1.20     0.30
assign (resid 3 and name hg2*)
 (resid 5 and name hh)
    4.00     2.20     0.30
assign (resid 3 and name hg1*)
 (resid 5 and name hn)
    4.00     2.20     0.30
assign (resid 3 and name hg1*)
 (resid 5 and name he*)
    3.00     1.20     0.30
assign (resid 3 and name hg1*)
 (resid 14 and name ha)
    4.00     2.20     0.30
assign (resid 3 and name hn)
 (resid 15 and name hn)
    3.00     1.20     0.30
assign (resid 3 and name ha)
 (resid 15 and name hn)
    5.00     3.20     0.30
assign (resid 3 and name hb)
 (resid 15 and name hn)
    5.00     3.20     0.30
assign (resid 3 and name hg1*)
 (resid 15 and name hn)
    4.00     2.20     0.30
assign (resid 3 and name hg1*)
 (resid 15 and name hb1)
    4.00     2.20     0.30
assign (resid 3 and name hg1*)
 (resid 15 and name hb2)
    3.00     1.20     0.30
assign (resid 3 and name hg1*)
 (resid 15 and name hd2*)
    5.00     3.20     0.30
assign (resid 3 and name hg1*)
 (resid 15 and name hd1*)
    4.00     2.20     0.30
assign (resid 3 and name hn)
 (resid 16 and name ha)
    3.00     1.20     0.30
assign (resid 3 and name hn)
 (resid 17 and name hn)
    5.00     3.20     0.30
assign (resid 3 and name hg2*)
 (resid 17 and name hn)
    4.00     2.20     0.30
assign (resid 3 and name hg1*)
 (resid 17 and name hn)
    5.00     3.20     0.30
assign (resid 3 and name hb)
 (resid 17 and name hg2*)
    4.00     2.20     0.30
assign (resid 3 and name hg1*)
 (resid 23 and name hb1)
    4.00     2.20     0.30
assign (resid 3 and name hg1*)
 (resid 23 and name hb2)
    5.00     3.20     0.30
assign (resid 3 and name hg1*)
 (resid 23 and name hd1*)
    4.00     2.20     0.30
assign (resid 3 and name hb)
 (resid 23 and name hd2*)
    5.00     3.20     0.30
assign (resid 3 and name hg1*)
 (resid 23 and name hg)
    4.00     2.20     0.30
assign (resid 3 and name hg2*)
 (resid 90 and name hb*)
    4.00     2.20     0.30
assign (resid 3 and name hg2*)
 (resid 90 and name he*)
    4.00     2.20     0.30
assign (resid 3 and name ha)
 (resid 96 and name hn)
    4.00     2.20     0.30
assign (resid 3 and name hn)
 (resid 96 and name hn)
    5.00     3.20     0.30
assign (resid 3 and name hg2*)
 (resid 96 and name hn)
    4.00     2.20     0.30
assign (resid 3 and name ha)
 (resid 97 and name hn)
    3.00     1.20     0.30
assign (resid 3 and name ha)
 (resid 97 and name hg2*)
    4.00     2.20     0.30
assign (resid 3 and name hn)
 (resid 97 and name hg2*)
    4.00     2.20     0.30
assign (resid 3 and name hg1*)
 (resid 97 and name hg2*)
    3.00     1.20     0.30
assign (resid 3 and name hg2*)
 (resid 97 and name hn)
    5.00     3.20     0.30
assign (resid 3 and name hg1*)
 (resid 99 and name hn)
    5.00     3.20     0.30
assign (resid 3 and name hg1*)
 (resid 99 and name hg2*)
    4.00     2.20     0.30
assign (resid 4 and name ha)
 (resid 5 and name hn)
    3.00     1.20     0.30
assign (resid 4 and name ha)
 (resid 5 and name hd*)
    5.00     3.20     0.30
assign (resid 4 and name ha)
 (resid 5 and name he*)
    5.00     3.20     0.30
assign (resid 4 and name hn)
 (resid 5 and name hd*)
    5.00     3.20     0.30
assign (resid 4 and name hb)
 (resid 5 and name hn)
    5.00     3.20     0.30
assign (resid 4 and name hg1*)
 (resid 5 and name hn)
    4.00     2.20     0.30
assign (resid 4 and name hg2*)
 (resid 5 and name hn)
    5.00     3.20     0.30
assign (resid 4 and name hg1*)
 (resid 12 and name hb*)
    3.00     1.20     0.30
assign (resid 4 and name ha)
 (resid 14 and name ha)
    3.00     1.20     0.30
assign (resid 4 and name ha)
 (resid 14 and name hn)
    4.00     2.20     0.30
assign (resid 4 and name hb)
 (resid 14 and name ha)
    4.00     2.20     0.30
assign (resid 4 and name hg1*)
 (resid 14 and name ha)
    4.00     2.20     0.30
assign (resid 4 and name hg2*)
 (resid 14 and name ha)
    4.00     2.20     0.30
assign (resid 4 and name ha)
 (resid 15 and name hn)
    4.00     2.20     0.30
assign (resid 4 and name hg2*)
 (resid 15 and name hn)
    5.00     3.20     0.30
assign (resid 4 and name hn)
 (resid 97 and name hn)
    4.00     2.20     0.30
assign (resid 4 and name hn)
 (resid 98 and name ha)
    3.00     1.20     0.30
assign (resid 4 and name hb)
 (resid 98 and name ha)
    3.00     1.20     0.30
assign (resid 4 and name hn)
 (resid 99 and name hn)
    4.00     2.20     0.30
assign (resid 5 and name hn)
 (resid 6 and name hn)
    4.50     2.50     0.30
assign (resid 5 and name ha)
(resid 6 and name hn)
    3.00     1.20     0.30
assign (resid 5 and name ha)
(resid 6 and name hg2*)
    4.00     2.20     0.30
assign (resid 5 and name hb1)
 (resid 6 and name hn)
    5.00     3.20     0.30
assign (resid 5 and name hb2)
 (resid 6 and name hn)
    5.00     3.20     0.30
assign (resid 5 and name hd*)
 (resid 6 and name hn)
    5.00     3.20     0.30
assign (resid 5 and name hn)
 (resid 13 and name hn)
    3.00     1.20     0.30
assign (resid 5 and name hn)
 (resid 13 and name ha)
    5.00     3.20     0.30
assign (resid 5 and name hb2)
 (resid 13 and name hb*)
    5.00     3.20     0.30
assign (resid 5 and name hd*)
 (resid 13 and name hb*)
    5.00     3.20     0.30
assign (resid 5 and name hd*)
 (resid 13 and name hg*)
    5.00     3.20     0.30
assign (resid 5 and name he*)
 (resid 13 and name hg*)
    5.00     3.20     0.30
assign (resid 5 and name he*)
 (resid 13 and name hb*)
    5.00     3.20     0.30
assign (resid 5 and name hn)
 (resid 14 and name ha)
    4.00     2.20     0.30
assign (resid 5 and name hd*)
 (resid 14 and name ha)
    5.00     3.20     0.30
assign (resid 5 and name hd*)
 (resid 14 and name hn)
    5.00     3.20     0.30
assign (resid 5 and name he*)
 (resid 14 and name ha)
    5.00     3.20     0.30
assign (resid 5 and name hd*)
 (resid 15 and name hn)
    4.00     2.20     0.30
assign (resid 5 and name hd*)
 (resid 15 and name hb*)
    5.00     3.20     0.30
assign (resid 5 and name hd*)
 (resid 15 and name hg)
    5.00     3.20     0.30
assign (resid 5 and name he*)
 (resid 15 and name hg)
    5.00     3.20     0.30
assign (resid 5 and name he*)
 (resid 15 and name hb1)
    4.00     2.20     0.30
assign (resid 5 and name he*)
 (resid 15 and name hb2)
    3.00     1.20     0.30
assign (resid 5 and name he*)
 (resid 15 and name hd1*)
    4.00     2.20    0.30
assign (resid 5 and name he*)
 (resid 15 and name hd2*)
    4.00     2.20    0.30
assign (resid 5 and name hd*)
 (resid 15 and name hd1*)
   5.00     3.20      0.30
assign (resid 5 and name hd*)
 (resid 15 and name hd2*)
   5.00     3.20      0.30
assign (resid 5 and name he*)
 (resid 23 and name ha)
    4.00     2.20     0.30
assign (resid 5 and name he*)
 (resid 23 and name hb*)
    5.00     3.20     0.30
assign (resid 5 and name hh)
 (resid 23 and name hb*)
    5.00     3.20     0.30
assign (resid 5 and name he*)
 (resid 23 and name hd2*)
    4.00     2.20     0.30
assign (resid 5 and name hh)
 (resid 23 and name hd2*)
    5.00     3.20     0.30
assign (resid 5 and name hh)
 (resid 23 and name hd1*)
    4.00     2.20     0.30
assign (resid 5 and name he*)
 (resid 26 and name hb*)
    5.00     3.20     0.30
assign (resid 5 and name hh)
 (resid 26 and name hb*)
    3.00     1.20     0.30
assign (resid 5 and name hh)
 (resid 27 and name hb*)
    4.00     2.20     0.30
assign (resid 5 and name hh)
 (resid 27 and name hn)
    3.00     1.20     0.30
assign (resid 5 and name he*)
 (resid 27 and name hn)
    5.00     3.20     0.30
assign (resid 5 and name he*)
 (resid 27 and name ha)
    5.00     3.20     0.30
assign (resid 5 and name hd*)
 (resid 27 and name hb*)
    5.00     3.20     0.30
assign (resid 5 and name he*)
 (resid 27 and name hb*)
    4.00     2.20     0.30
assign (resid 5 and name hh)
 (resid 27 and name hb*)
    5.00     3.20     0.30
assign (resid 5 and name hn)
 (resid 32 and name hd1*)
    5.00     3.20     0.30
assign (resid 5 and name hn)
 (resid 32 and name hg2*)
    5.00     3.20     0.30
assign (resid 5 and name hb1)
 (resid 32 and name hg2*)
    5.00     3.20     0.30
assign (resid 5 and name hb2)
 (resid 32 and name hg2*)
    5.00     3.20     0.30
assign (resid 5 and name hb1)
 (resid 32 and name hd1*)
    5.00     3.20     0.30
assign (resid 5 and name hb2)
 (resid 32 and name hd1*)
    5.00     2.20     0.30
assign (resid 5 and name hd*)
 (resid 32 and name hg2*)
    4.00     2.20     0.30
assign (resid 5 and name hd*)
 (resid 32 and name hd1*)
    4.00     2.20     0.30
assign (resid 5 and name he*)
 (resid 32 and name hb)
    5.00     3.20     0.30
assign (resid 5 and name he*)
 (resid 32 and name hd1*)
    5.00     3.20     0.30
assign (resid 5 and name hd*)
 (resid 50 and name hg2*)
     5.00     3.20    0.30
assign (resid 5 and name ha)
 (resid 99 and name hn)
    4.00     2.20     0.30
assign (resid 5 and name ha)
 (resid 99 and name hg2*)
    3.00     1.20     0.30
assign (resid 5 and name hb1)
 (resid 99 and name hg2*)
    5.00     3.20     0.30
assign (resid 5 and name hd*)
 (resid 99 and name hg2*)
    3.00     1.20     0.30
assign (resid 5 and name hn)
 (resid 99 and name hg2*)
    4.00     2.20     0.30
assign (resid 5 and name hn)
 (resid 99 and name hb)
    4.00     2.20     0.30
assign (resid 5 and name hd*)
 (resid 99 and name hg1*)
    5.00     3.20     0.30
assign (resid 5 and name he*)
 (resid 99 and name hg2*)
    5.00     3.20     0.30
assign (resid 5 and name he*)
 (resid 99 and name hg1*)
    5.00     3.20     0.30
assign (resid 6 and name ha)
 (resid 7 and name hn)
    3.00     1.20     0.30
assign (resid 6 and name hb)
 (resid 7 and name hn)
    4.00     2.20     0.30
assign (resid 6 and name hg1*)
 (resid 10 and name ha2)
    4.00     2.20     0.30
assign (resid 6 and name hg2*)
 (resid 10 and name ha*)
    5.00     3.20     0.30
assign (resid 6 and name hg1*)
 (resid 10 and name hn)
    4.00     2.20     0.30
assign (resid 6 and name hg2*)
 (resid 12 and name ha)
    5.00     3.20     0.30
assign (resid 6 and name hg2*)
 (resid 12 and name hb*)
    3.00     1.20     0.30
assign (resid 6 and name hg1*)
 (resid 12 and name hg*)
    4.00     2.20     0.30
assign (resid 6 and name hn)
 (resid 99 and name hn)
    4.00     2.20     0.30
assign (resid 6 and name hg2*)
 (resid 99 and name hn)
    3.00     1.20     0.30
assign (resid 6 and name hn)
 (resid 99 and name hg2*)
    4.00     2.20     0.30
assign (resid 6 and name hn)
 (resid 100 and name ha)
    3.00     1.20     0.30
assign (resid 6 and name hb)
 (resid 100 and name ha)
    3.00     1.20     0.30
assign (resid 6 and name hg2*)
 (resid 100 and name ha)
    4.00     2.20     0.30
assign (resid 6 and name hg1*)
 (resid 100 and name ha)
    5.00     3.20     0.30
assign (resid 6 and name hn)
(resid 101 and name hn)
    4.00     2.20     0.30
assign (resid 6 and name hb)
 (resid  101 and name hn)
 4.00 2.20 0.30
assign (resid 6 and name hb)
 (resid  101 and name hg2*)
 5.00 3.20 0.30
assign (resid 6 and name hg1*)
 (resid 101 and name hn)
    5.00     3.20     0.30
assign (resid 6 and name hg2*)
 (resid 101 and name hn)
    5.00     3.20     0.30
assign (resid 7 and name hn)
 (resid 8 and name hn)
    4.00     2.20     0.30
assign (resid 7 and name ha)
 (resid 8 and name hd1)
    3.00     1.20     0.30
assign (resid 7 and name hb*)
 (resid 8 and name hd1)
    4.00     2.20     0.30
assign (resid 7 and name hb*)
 (resid 8 and name hd2)
    5.00     3.20     0.30
assign (resid 7 and name hn)
 (resid 8 and name hd1)
    5.00     3.20     0.30
assign (resid 7 and name hb*)
 (resid 9 and name hn)
    4.00     2.20     0.30
assign (resid 7 and name hn)
 (resid 11 and name hn)
    4.00     2.20     0.30
assign (resid 7 and name hn)
 (resid 11 and name hb)
    5.00     3.20     0.30
assign (resid 7 and name hb2)
 (resid 11 and name hg2*)
    3.00     1.20     0.30
assign (resid 7 and name hn)
 (resid 12 and name hn)
    5.00     3.20     0.30
assign (resid 7 and name hn)
 (resid 12 and name ha)
    4.00     2.20     0.30
assign (resid 7 and name hb*)
 (resid 13 and name hh21)
    5.00     3.20     0.30
assign (resid 7 and name hn)
 (resid 100 and name ha)
    5.00     3.20     0.30
assign (resid 7 and name ha)
 (resid 101 and name hn)
    3.00     1.20     0.30
assign (resid 7 and name ha)
 (resid 101 and name hb)
    3.00     1.20     0.30
assign (resid 7 and name ha)
 (resid 101 and name hg2*)
    5.00     3.20     0.30
assign (resid 8 and name ha)
 (resid 9 and name hn)
    4.00     2.20     0.30
assign (resid 8 and name hb*)
 (resid 9 and name hn)
    5.00     3.20     0.30
assign (resid 8 and name hd1)
 (resid 9 and name hn)
    4.00     2.20     0.30
assign (resid 8 and name hb1)
 (resid 9 and name ha)
    5.00     3.20     0.30
assign (resid 8 and name ha)
 (resid 10 and name hn)
    5.00     3.20     0.30
assign (resid 8 and name hd1)
 (resid 101 and name hg1*)
    5.00     3.20     0.30
assign (resid 8 and name hd1)
 (resid 101 and name hb)
    5.00     3.20     0.30
assign (resid 8 and name hb2)
 (resid 102 and name ha)
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assign (resid 8 and name hb1)
 (resid 103 and name ha)
    4.00     2.20     0.30
assign (resid 8 and name hb2)
 (resid 103 and name ha)
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assign (resid 8 and name hd2)
 (resid 103 and name hb*)
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assign (resid 8 and name hb*)
 (resid 103 and name hn)
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assign (resid 9 and name hn)
 (resid 10 and name hn)
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assign (resid 9 and name ha)
 (resid 10 and name hn)
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assign (resid 9 and name hb1)
 (resid 10 and name hn)
    5.00     3.20     0.30
assign (resid 10 and name hn)
 (resid 11 and name hn)
    3.00     1.20     0.30
assign (resid 10 and name ha1)
 (resid 11 and name hn)
    4.00     2.20     0.30
assign (resid 10 and name ha2)
 (resid 11 and name hn)
    4.00     2.20     0.30
assign (resid 11 and name hn)
 (resid 12 and name hn)
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assign (resid 11 and name ha)
 (resid 12 and name hn)
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assign (resid 11 and name hb)
 (resid 12 and name hn)
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assign (resid 11 and name hg2*)
 (resid 12 and name hn)
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assign (resid 11 and name hg2*)
 (resid 13 and name ha)
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assign (resid 12 and name ha)
(resid 13 and name hn)
    3.00     1.20     0.30
assign (resid 12 and name hn)
 (resid 13 and name hn)
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assign (resid 12 and name hb*)
 (resid 13 and name hn)
    5.00     3.20     0.30
assign (resid 12 and name hg*)
 (resid 13 and name hn)
    5.00     3.20     0.30
assign (resid 13 and name ha)
 (resid 14 and name hn)
    3.00     1.20     0.30
assign (resid 13 and name ha)
 (resid 14 and name hg*)
    5.00     3.20     0.30
assign (resid 13 and name hn)
 (resid 14 and name ha)
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assign (resid 13 and name hb*)
 (resid 14 and name ha)
    4.00     2.20     0.30
assign (resid 13 and name hb*)
 (resid 14 and name hn)
    3.00     1.20     0.30
assign (resid 13 and name hg*)
 (resid 14 and name hn)
    5.00     3.20     0.30
assign (resid 13 and name hb*)
 (resid 32 and name hd1*)
    5.00     3.20     0.30
assign (resid 13 and name hd1)
 (resid 32 and name hd1*)
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assign (resid 13 and name hd2)
 (resid 32 and name hd1*)
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assign (resid 13 and name hg*)
 (resid 32 and name hd1*)
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assign (resid 13 and name he)
 (resid 32 and name hd1*)
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assign (resid 13 and name hh1*)
 (resid 32 and name hg2*)
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assign (resid 13 and name hh2*)
 (resid 32 and name hd1*)
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assign (resid 14 and name ha)
 (resid 15 and name hb*)
    5.00     3.20     0.30
assign (resid 14 and name hn)
 (resid 15 and name hn)
    5.00     3.20     0.30
assign (resid 14 and name ha)
 (resid 15 and name hn)
    3.00     1.20     0.30
assign (resid 14 and name ha)
 (resid 15 and name hg)
    5.00     3.20     0.30
assign (resid  14 and name hb*)
 (resid 15 and name hn)
 5.00 3.20 0.30
assign (resid  14 and name hg*)
 (resid 15 and name hn)
 5.00 3.20 0.30
assign (resid 15 and name hn)
 (resid 16 and name hn)
    5.00     3.20     0.30
assign (resid 15 and name ha)
 (resid 16 and name hn)
    3.00     1.20     0.30
assign (resid 15 and name hb1)
 (resid 16 and name hn)
    4.00     2.20     0.30
assign (resid 15 and name hb2)
 (resid 16 and name hn)
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assign (resid 15 and name hd2*)
 (resid 16 and name hn)
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assign (resid 15 and name hd1*)
 (resid 16 and name hn)
    5.00     3.20     0.30
assign (resid 15 and name hg)
 (resid 16 and name hn)
    5.00     3.20     0.30
assign (resid 15 and name hg)
 (resid 17 and name hn)
 5.00 3.20 0.30
assign (resid 15 and name hd1*)
 (resid 17 and name hg2*)
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assign (resid 15 and name hg)
 (resid 26 and name hb*)
    5.00     3.20     0.30
assign (resid 15 and name hd1*)
 (resid 26 and name hb*)
    5.00     3.20     0.30
assign (resid 15 and name hd1*)
 (resid 27 and name ha)
    4.00     2.20     0.30
assign (resid 15 and name hd2*)
 (resid 27 and name ha)
    5.00     3.20     0.30
assign (resid 15 and name hd1*)
 (resid 28 and name hn)
    5.00     3.20     0.30
assign (resid 15 and name hd1*)
 (resid 30 and name hd22)
    4.00     2.20     0.30
assign (resid 15 and name hd1*)
 (resid 30 and name hd21)
    4.00     2.20     0.30
assign (resid 15 and name hd1*)
 (resid 30 and name hn)
    4.00     2.20     0.30
assign (resid 15 and name hd2*)
 (resid 30 and name hn)
    4.00     2.20     0.30
assign (resid 15 and name hd1*)
 (resid 30 and name hb1)
    4.00     2.20     0.30
assign (resid 15 and name hd1*)
 (resid 30 and name hb2)
    5.00     3.20     0.30
assign (resid 15 and name hd2*)
 (resid 30 and name hb1)
    4.00     2.20     0.30
assign (resid 15 and name hd2*)
 (resid 30 and name hb2)
    5.00     3.20     0.30
assign (resid 15 and name hd1*)
 (resid 30 and name hd21)
    4.00     2.20     0.30
assign (resid 15 and name hd2*)
 (resid 30 and name hd21)
    4.00     2.20     0.30
assign (resid 15 and name ha)
 (resid 32 and name hd1*)
    5.00     3.20     0.30
assign (resid 15 and name hg)
 (resid 32 and name hd1*)
    4.00     2.20     0.30
assign (resid 15 and name hd1*)
 (resid 32 and name hd1*)
    3.00     1.20     0.30
assign (resid 15 and name hd2*)
 (resid 32 and name hd1*)
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assign (resid 15 and name hb2)
 (resid 32 and name hd1*)
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assign (resid 16 and name hn)
 (resid 17 and name hn)
    5.00     3.20     0.30
assign (resid 16 and name ha)
 (resid 17 and name hn)
    3.00     1.20     0.30
assign (resid 16 and name hb1)
 (resid 17 and name hn)
    5.00     3.20     0.30
assign (resid 16 and name hb2)
 (resid 17 and name hn)
    5.00     3.20     0.30
assign (resid 17 and name hn)
 (resid 18 and name hn)
    5.00     3.20     0.30
assign (resid 17 and name ha)
 (resid 18 and name hn)
    3.00     1.20     0.30
assign (resid 17 and name hb)
 (resid 18 and name hn)
    4.00     2.20     0.30
assign (resid 17 and name ha)
 (resid 18 and name hb*)
    5.00     3.20     0.30
assign (resid 17 and name hg1*)
 (resid 18 and name hn)
    3.00     1.20     0.30
assign (resid 17 and name hg2*)
 (resid 18 and name hn)
    5.00     3.20     0.30
assign (resid 17 and name ha)
 (resid 21 and name hg2*)
    3.00     1.20     0.30
assign (resid 17 and name hb)
 (resid 21 and name hg1*)
    4.00     2.20     0.30
assign (resid 17 and name hg1*)
 (resid 21 and name hn)
    4.00     2.20     0.30
assign (resid 17 and name hg1*)
 (resid 21 and name hb)
    4.00     2.20     0.30
assign (resid 17 and name ha)
 (resid 23 and name hd2*)
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assign (resid 17 and name hb)
 (resid 23 and name ha)
    5.00     3.20     0.50
assign (resid 17 and name hg2*)
 (resid 23 and name ha)
    4.00     2.20     0.30
assign (resid 17 and name hg1*)
 (resid 26 and name hn)
    3.00     1.20     0.30
assign (resid 17 and name hg2*)
 (resid 26 and name hb*)
    4.00     2.20     0.30
assign (resid 17 and name hg2*)
 (resid 26 and name ha)
    5.00     3.20     0.30
assign (resid 17 and name hg1*)
 (resid 26 and name hb*)
    4.00     2.20     0.30
assign (resid 17 and name hn)
 (resid 26 and name hb*)
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assign (resid 17 and name hb)
 (resid 90 and name ha)
    4.00     2.20     0.30
assign (resid 17 and name hb)
 (resid 90 and name hb*)
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assign (resid 17 and name hb)
 (resid 90 and name hg*)
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assign (resid 17 and name hn)
 (resid 90 and name he*)
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assign (resid 17 and name hg1*)
 (resid 90 and name hb*)
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assign (resid 17 and name hg2*)
 (resid 90 and name hg*)
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assign (resid 18 and name hn)
 (resid 19 and name hn)
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assign (resid 18 and name ha)
 (resid 19 and name hn)
    3.00     1.20     0.30
assign (resid 18 and name hb*)
 (resid 19 and name hn)
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assign (resid 18 and name hb*)
 (resid 19 and name hb2)
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assign (resid 18 and name hn)
 (resid 21 and name hb)
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assign (resid 18 and name hn)
 (resid 21 and name hg2*)
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assign (resid 18 and name hn)
 (resid 21 and name hg1*)
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assign (resid 18 and name hb*)
 (resid 21 and name hg2*)
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assign (resid 18 and name hb*)
 (resid 21 and name hn)
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assign (resid 18 and name hn)
 (resid 26 and name hb*)
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assign (resid 18 and name hn)
 (resid 90 and name hg*)
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assign (resid 19 and name hn)
 (resid 20 and name hn)
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assign (resid 19 and name ha)
 (resid 20 and name hn)
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assign (resid 19 and name hb*)
 (resid 20 and name hn)
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assign (resid 19 and name ha)
 (resid 21 and name hn)
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assign (resid 19 and name ha)
 (resid 89 and name hg2*)
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assign (resid 19 and name ha)
 (resid 90 and name hb*)
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assign (resid 19 and name ha)
 (resid 91 and name hg2*)
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assign (resid 19 and name ha)
 (resid 91 and name hn)
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assign (resid 19 and name hb1)
 (resid 91 and name ha)
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assign (resid 19 and name hb2)
 (resid 91 and name ha)
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assign (resid 19 and name hn)
 (resid 92 and name hg1)
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assign (resid 19 and name hb*)
 (resid 92 and name hd1)
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assign (resid 20 and name ha1)
 (resid 21 and name ha)
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assign (resid 20 and name ha1)
 (resid 21 and name hn)
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assign (resid 20 and name ha2)
(resid 21 and name hn)
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assign (resid 20 and name hn)
 (resid 89 and name hg2*)
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assign (resid 20 and name hn)
 (resid 21 and name hn)
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assign (resid 20 and name ha2)
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assign (resid 20 and name hn)
 (resid 89 and name hg2*)
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assign (resid 20 and name hn)
 (resid 90 and name hn)
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assign (resid 20 and name hn)
 (resid 90 and name hb*)
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assign (resid 20 and name hn)
 (resid 91 and name hb)
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assign (resid 20 and name hn)
 (resid 91 and name hg2*)
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assign (resid 21 and name ha)
 (resid 22 and name hn)
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assign (resid 21 and name hb)
 (resid 22 and name hn)
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assign (resid 21 and name hg1*)
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assign (resid 21 and name hg2*)
 (resid 22 and name hn)
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assign (resid 21 and name ha)
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assign (resid 21 and name hg1*)
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assign (resid 21 and name hb)
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assign (resid 21 and name hg1*)
 (resid 26 and name hb*)
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!assign (resid 21 and name hg2*)
! (resid 26 and name hb*)
!    4.00     2.20     0.30
assign (resid 21 and name hg1*)
 (resid 26 and name hn)
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assign (resid 21 and name hb)
 (resid 26 and name hn)
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assign (resid 21 and name hn)
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assign (resid 21 and name hn)
 (resid 90 and name hn)
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assign (resid 21 and name hn)
 (resid 90 and name hb*)
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assign (resid 22 and name ha)
 (resid 23 and name hn)
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assign (resid 22 and name ha)
 (resid 23 and name hd2*)
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assign (resid 22 and name hb*)
 (resid 23 and name hn)
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assign (resid 22 and name hn)
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assign (resid 22 and name hn)
 (resid 26 and name hn)
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assign (resid 22 and name ha)
 (resid 26 and name hn)
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assign (resid 22 and name ha)
 (resid 88 and name hn)
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assign (resid 22 and name ha)
 (resid 89 and name ha)
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assign (resid 22 and name ha)
 (resid 89 and name hn)
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assign (resid 22 and name hn)
 (resid 89 and name hd1*)
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assign (resid 22 and name ha)
 (resid 89 and name hd1*)
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assign (resid 22 and name ha)
 (resid 89 and name hg2*)
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assign (resid 22 and name hb2)
 (resid 89 and name hd1*)
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assign (resid 22 and name ha)
 (resid 90 and name hn)
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assign (resid 22 and name ha)
 (resid 90 and name hb*)
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assign (resid 23 and name hb*)
 (resid 24 and name hb1)
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assign (resid 23 and name ha)
 (resid 25 and name hn)
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assign (resid 23 and name ha)
 (resid 26 and name hb*)
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!assign (resid 23 and name hb*)
! (resid 33 and name he*)
!    5.00     3.20     0.30
assign (resid 23 and name hn)
 (resid 89 and name ha)
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assign (resid 23 and name hn)
 (resid 90 and name hn)
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assign (resid 25 and name ha)
 (resid 26 and name hn)
    4.00     2.20     0.30
assign (resid 25 and name hb*)
 (resid 26 and name hn)
 4.00 2.20 0.30
assign (resid 25 and name ha)
 (resid 28 and name hn)
    4.00     2.20     0.30
assign (resid 26 and name hn)
 (resid 27 and name hn)
    3.00     1.20     0.30
assign (resid 26 and name ha)
 (resid 27 and name hn)
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assign (resid 26 and name hb*)
 (resid 27 and name hn)
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assign (resid 26 and name ha)
 (resid 28 and name hn)
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assign (resid 26 and name ha)
 (resid 29 and name hn)
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assign (resid 26 and name ha)
 (resid 29 and name hb1)
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assign (resid 26 and name ha)
 (resid 30 and name hn)
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assign (resid 26 and name ha)
 (resid 30 and name hd2*)
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assign (resid 26 and name hb*)
 (resid 30 and name hd2*)
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assign (resid 27 and name hn)
 (resid 28 and name hn)
     3.00     1.20     0.30
assign (resid 27 and name ha)
(resid 28 and name hn)
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assign (resid 27 and name hb*)
 (resid 28 and name hn)
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assign (resid 27 and name ha)
 (resid 29 and name hn)
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assign (resid 27 and name ha)
 (resid 30 and name hn)
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assign (resid 27 and name ha)
 (resid 30 and name hb1)
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assign (resid 27 and name ha)
 (resid 30 and name hb2)
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assign (resid 27 and name ha)
 (resid 30 and name hd2*)
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assign (resid 27 and name ha)
(resid 31 and name hn)
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assign (resid 27 and name ha)
 (resid 32 and name hn)
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assign (resid 27 and name ha)
 (resid 32 and name hb)
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assign (resid 27 and name ha)
 (resid 32 and name hg2*)
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assign (resid 27 and name hn)
 (resid 32 and name hg2*)
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assign (resid 27 and name ha)
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assign (resid 27 and name hb*)
 (resid 32 and name hn)
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assign (resid 27 and name hb*)
 (resid 32 and name ha)
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assign (resid 27 and name hb*)
 (resid 32 and name hg2*)
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assign (resid 27 and name hb*)
 (resid 32 and name hd1*)
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!assign (resid 27 and name hb*)
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!    5.00     3.20     0.30
assign (resid 28 and name hn)
 (resid 29 and name hn)
     3.00     1.20     0.30
assign (resid 28 and name hb)
 (resid 29 and name hn)
    4.00     2.20     0.30
assign (resid 28 and name hg1*)
 (resid 29 and name hn)
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assign (resid 28 and name hg2*)
 (resid 29 and name hn)
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assign (resid 28 and name hn)
 (resid 30 and name hn)
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assign (resid 28 and name hn)
 (resid 30 and name hd2*)
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assign (resid 28 and name ha)
 (resid 32 and name hb)
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assign (resid 28 and name ha)
 (resid 32 and name hn)
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assign (resid 29 and name hn)
 (resid 30 and name hn)
     3.00     1.20     0.30
assign (resid 29 and name ha)
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assign (resid 29 and name hb1)
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assign (resid 29 and name hb*)
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assign (resid 29 and name hn)
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assign (resid 29 and name ha)
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assign (resid 29 and name hb1)
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assign (resid 30 and name ha)
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assign (resid 30 and name hn)
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assign (resid 30 and name hb1)
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assign (resid 30 and name hb2)
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assign (resid 30 and name hn)
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assign (resid 30 and name hn)
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assign (resid 30 and name hn)
 (resid 32 and name hg1*)
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assign (resid 30 and name hb2)
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assign (resid 30 and name hb2)
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assign (resid 30 and name hd2*)
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assign (resid 31 and name hn)
 (resid 32 and name hn)
     3.00     1.20     0.30
assign (resid 31 and name hn)
 (resid 32 and name hb)
     5.00     3.20     0.30
assign (resid 31 and name ha1)
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assign (resid 31 and name ha2)
 (resid 32 and name hn)
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assign (resid 31 and name ha2)
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assign (resid 32 and name hn)
 (resid 33 and name hn)
     4.00     2.20     0.30
assign (resid 32 and name ha)
 (resid 33 and name hn)
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assign (resid 32 and name ha)
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assign (resid 32 and name hb)
 (resid 33 and name hn)
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assign (resid 32 and name hg2*)
 (resid 33 and name hn)
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assign (resid 32 and name hg2*)
 (resid 33 and name hd*)
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assign (resid 91 and name ha)
 (resid 92 and name hb2)
    5.00     3.20     0.30
assign (resid 91 and name hb)
 (resid 92 and name hd2)
    3.00     1.20     0.30
assign (resid 91 and name hb)
 (resid 92 and name hg*)
    5.00     3.20     0.30
assign (resid 91 and name hg2*)
 (resid 92 and name hd2)
    4.00     2.20     0.30
assign (resid 91 and name hb)
 (resid 93 and name hn)
    3.00     1.20     0.30
assign (resid 91 and name hn)
 (resid 93 and name hn)
    5.00     3.20     0.30
assign (resid 91 and name hg2*)
 (resid 93 and name hn)
    4.00     2.20     0.30
assign (resid 91 and name hn)
 (resid 94 and name hn)
    5.00     3.20     0.30
assign (resid 91 and name hb)
 (resid 94 and name hn)
    5.00     3.20     0.30
assign (resid 91 and name hn)
 (resid 94 and name hb2)
 4.00 2.20 0.30
assign (resid 91 and name hn)
 (resid 94 and name hb1)
 5.00 3.20 0.30
assign (resid 91 and name hn)
 (resid 94 and name hd2*)
 5.00 3.20 0.30
assign (resid 92 and name ha)
 (resid 93 and name hn)
 5.00 3.20 0.30
assign (resid 92 and name hd*)
 (resid 93 and name hg*)
 4.00 2.20 0.30
assign (resid 92 and name hd*)
 (resid 93 and name hn)
 4.00 2.20 0.30
assign (resid 92 and name hb*)
 (resid 93 and name hn)
 5.00 3.20 0.30
assign (resid 92 and name ha)
 (resid 94 and name hn)
 5.00 3.20 0.30
assign (resid 92 and name ha)
 (resid 95 and name hb2)
 5.00 3.20 0.30
assign (resid 93 and name hn)
 (resid 94 and name hn)
    3.00     1.20      0.20
assign (resid 93 and name ha)
 (resid 94 and name hn)
    4.00     2.20     0.30
assign (resid 93 and name hb*)
 (resid 94 and name hn)
 3.00 1.20 0.30
assign (resid 93 and name hg*)
 (resid 94 and name hn)
 5.00 3.20 0.30
assign (resid 93 and name hg*)
 (resid 94 and name hd2*)
 5.00 3.20 0.30
assign (resid 94 and name ha)
 (resid 95 and name hn)
    4.00     2.20     0.30
assign (resid 94 and name hd2*)
 (resid 95 and name hn)
    5.00     3.20     0.30
assign (resid 95 and name ha)
 (resid 96 and name hn)
    3.00     1.20     0.30
assign (resid 95 and name hb2)
 (resid 96 and name hn)
 4.00 2.20 0.30
assign (resid 95 and name hb1)
 (resid 96 and name hn)
 5.00 3.20 0.30
assign (resid 95 and name ha)
 (resid 97 and name hn)
    4.00     2.20     0.30
assign (resid 96 and name hn)
 (resid 97 and name hn)
    3.00     1.20     0.30
assign (resid 96 and name hn)
 (resid 97 and name hb)
    5.00     3.20     0.30
assign (resid 96 and name hn)
 (resid 97 and name hg2*)
    5.00     3.20     0.30
assign (resid 96 and name ha2)
 (resid 97 and name hn)
    4.00     2.20     0.30
assign (resid 96 and name ha1)
 (resid 97 and name hn)
    4.00     2.20     0.30
assign (resid 97 and name hn)
 (resid 98 and name hn)
    5.0     3.20     0.30
assign (resid 97 and name ha)
 (resid 98 and name hn)
    3.00     1.20     0.30
assign (resid 97 and name hb)
 (resid 98 and name hn)
    5.00     3.20     0.30
assign (resid 97 and name hg1*)
 (resid 98 and name hn)
 4.00 2.20 0.30
assign (resid 97 and name hg2*)
 (resid 98 and name hn)
 5.00 3.20 0.30
assign (resid 97 and name hd1*)
 (resid 98 and name hn)
    4.00     2.20     0.30
assign (resid 98 and name ha)
 (resid 99 and name hn)
    3.00     1.20     0.30
assign (resid 98 and name ha)
 (resid 99 and name hg2*)
    5.00     3.20     0.30
assign (resid 98 and name hb)
 (resid 99 and name hn)
 5.00 3.20 0.30
assign (resid 98 and name hg1*)
 (resid 99 and name hn)
    4.00     2.20     0.30
assign (resid 98 and name hg2*)
 (resid 99 and name hn)
    5.00     3.20     0.30
assign (resid 99 and name hn)
 (resid 100 and name hn)
    5.0     2.20     0.30
assign (resid 99 and name ha)
 (resid 100 and name hn)
    3.00     1.20     0.30
assign (resid 99 and name hb)
 (resid 100 and name hn)
    3.00     1.20     0.30
assign (resid 99 and name hg1*)
 (resid 100 and name hn)
 4.00 2.20 0.30
assign (resid 100 and name ha)
 (resid 101 and name hn)
    3.00     1.20     0.30
assign (resid 100 and name ha)
 (resid 101 and name hb)
    5.00     3.20     0.30
assign (resid 100 and name ha)
 (resid 101 and name hg2*)
    4.00     2.20     0.30
assign (resid 100 and name hb*)
 (resid 101 and name hn)
    4.00     2.20     0.30
assign (resid 100 and name hb2)
 (resid 101 and name hn)
    4.00     2.20     0.30
assign (resid 101 and name hn)
 (resid 102 and name hd*)
    5.00     3.20     0.30
assign (resid 101 and name hg1*)
 (resid 102 and name hd2)
    4.00     2.20     0.30
assign (resid 101 and name hg2*)
 (resid 102 and name hd2)
    5.00     3.20     0.30
assign (resid 101 and name hg1*)
 (resid 102 and name hd1)
    5.00     3.20     0.30
assign (resid 101 and name hg2*)
 (resid 102 and name hd1)
    5.00     3.20     0.30
assign (resid 101 and name ha)
 (resid 102 and name hd2)
    3.00     1.20     0.30
assign (resid 101 and name ha)
 (resid 102 and name hd1)
    3.00     1.20     0.30
assign (resid 102 and name ha)
 (resid 103 and name hn)
    3.00     1.20     0.30
assign (resid 102 and name hb*)
 (resid 103 and name hn)
    4.00     2.20     0.30
assign (resid 102 and name ha)
 (resid 104 and name hn)
    4.00     2.20     0.30
assign (resid 102 and name hb*)
 (resid 104 and name hn)
    5.00     3.20     0.30
assign (resid 102 and name hb1)
 (resid 105 and name ha)
    5.00     3.20     0.30
assign (resid 103 and name hn)
 (resid 104 and name hn)
    4.00     2.20     0.30
assign (resid 103 and name ha)
 (resid 104 and name hn)
    4.00     2.20     0.30
assign (resid 103 and name hb*)
 (resid 104 and name hn)
    4.00     2.20     0.30
assign (resid 103 and name ha)
 (resid 104 and name he)
    5.00     3.20     0.30
assign (resid 104 and name ha)
 (resid 105 and name hn)
    3.00     1.20     0.30
assign (resid 104 and name hn)
 (resid 105 and name ha)
    4.00     2.20     0.30
assign (resid 104 and name hg*)
 (resid 105 and name hn)
    5.00     3.20     0.30
assign (resid 105 and name ha)
 (resid 106 and name hn)
    4.00     2.20     0.30
!assign (resid 105 and name ha)
! (resid 106 and name hb*)
!    5.00     3.20     0.30
assign (resid 105 and name hn)
 (resid 106 and name hn)
    3.00     2.20     0.30
!
!Intraresidue Distance Constraints
!
assign (resid 2 and name hb1)
 (resid 2 and name hn)
    3.00     1.20     0.30
assign (resid 2 and name hb2)
 (resid 2 and name hn)
    3.00     1.20     0.30
assign (resid 2 and name hb1)
 (resid 2 and name he*)
    5.00     3.20     0.30
assign (resid 2 and name hb2)
 (resid 2 and name he*)
    5.00     3.20     0.30
assign (resid 2 and name hg*)
 (resid 2 and name he*)
    4.00     2.20     0.30
assign (resid 2 and name hb2)
 (resid 2 and name hn)
    3.00     1.20     0.30
assign (resid 2 and name ha)
 (resid 2 and name hg*)
    4.00     2.20     0.30
assign (resid 2 and name hg*)
 (resid 2 and name hn)
    4.00     2.20     0.30
assign (resid 2 and name hd*)
 (resid 2 and name hn)
    5.00     3.20     0.30
assign (resid 2 and name he*)
 (resid 2 and name hn)
    5.00     3.20     0.30
assign (resid 3 and name hb)
 (resid 3 and name hn)
    4.00     2.20     0.30
assign (resid 3 and name hn)
 (resid 3 and name hg1*)
 4.00 2.20  0.30
assign (resid 3 and name hn)
 (resid 3 and name hg2*)
 3.00 1.20  0.30
assign (resid 3 and name ha)
 (resid 3 and name hg1*)
 3.00 1.20  0.30
assign (resid 3 and name ha)
 (resid 3 and name hg2*)
 3.00 1.20  0.30
assign (resid 4 and name hb)
 (resid 4 and name hn)
    3.00     1.20     0.30
assign (resid 4 and name hg2*)
 (resid 4 and name hn)
    3.00     1.20     0.30
assign (resid 4 and name hg1*)
 (resid 4 and name ha)
    3.00     1.20     0.30
assign (resid 4 and name hg2*)
 (resid 4 and name ha)
    3.00     1.20     0.30
assign (resid 5 and name ha)
 (resid 5 and name hd*)
    4.00     2.20     0.30
assign (resid 5 and name hb2)
 (resid 5 and name hn)
    4.00     2.20     0.30
assign (resid 5 and name hb1)
 (resid 5 and name hn)
    4.00     2.20     0.30
assign (resid 5 and name hb2)
 (resid 5 and name he*)
    5.00     3.20     0.30
assign (resid 5 and name hb1)
 (resid 5 and name he*)
    5.00     3.20     0.30
assign (resid 5 and name hb2)
 (resid 5 and name hd*)
    3.00     2.20     0.30
assign (resid 5 and name hb1)
 (resid 5 and name hd*)
    3.00     2.20     0.30
assign (resid 6 and name hb)
 (resid 6 and name hn)
    3.00     1.20     0.30
assign (resid 6 and name hg1*)
 (resid 6 and name ha)
    3.00     1.20     0.30
assign (resid 6 and name hg2*)
 (resid 6 and name ha)
    3.00     1.20     0.30
assign (resid 6 and name hg2*)
 (resid 6 and name hn)
    3.00     1.20     0.30
assign (resid 6 and name hg1*)
 (resid 6 and name hn)
    4.00     2.20     0.30
assign (resid 7 and name hb1)
 (resid 7 and name hn)
    3.00     1.20     0.30
assign (resid 8 and name hd1)
 (resid 8 and name ha)
    3.00     1.20     0.30
assign (resid 8 and name hd1)
 (resid 8 and name hb2)
    4.00     2.20     0.30
assign (resid 8 and name hd2)
 (resid 8 and name hb2)
    4.00     2.20     0.30
assign (resid 8 and name hd1)
 (resid 8 and name hb1)
    4.00     2.20     0.20
assign (resid 8 and name hd2)
 (resid 8 and name hb1)
    5.00     3.20     0.20
assign (resid 8 and name hd2)
 (resid 8 and name ha)
    5.00     3.20     0.20
assign (resid 9 and name hb1)
 (resid 9 and name hn)
    3.00     1.20     0.30
assign (resid 9 and name hb2)
 (resid 9 and name hn)
    4.00     2.20     0.30
assign (resid 10 and name ha1)
 (resid 10 and name hn)
    3.00     1.20     0.30
assign (resid 10 and name ha2)
 (resid 10 and name hn)
    3.00     1.20     0.30
assign (resid 11 and name hg2*)
 (resid 11 and name ha)
    3.00     1.20     0.30
assign (resid 11 and name hg2*)
 (resid 11 and name hb)
    3.00     1.20     0.30
assign (resid 11 and name hg2*)
 (resid 11 and name hn)
    4.00     2.20     0.30
assign (resid 11 and name hb)
 (resid 11 and name hn)
    3.00     1.20     0.30
assign (resid 12 and name hb*)
 (resid 12 and name hn)
    3.00     1.20     0.30
assign (resid 12 and name hg*)
 (resid 12 and name hn)
    5.00     3.20     0.30
assign (resid 12 and name hg*)
 (resid 12 and name ha)
    4.00     2.20     0.30
assign (resid 12 and name hb*)
 (resid 12 and name he)
    5.00     3.20     0.30
assign (resid 13 and name hn)
 (resid 13 and name hb*)
 3.00 1.20 0.30
assign (resid 13 and name hn)
 (resid 13 and name hd*)
 5.00 3.20 0.30
assign (resid 13 and name hn)
 (resid 13 and name hg*)
 4.00 2.20 0.30
assign (resid 13 and name ha)
 (resid 13 and name hd*)
 4.00 2.20 0.30
assign (resid 13 and name ha)
 (resid 13 and name hg*)
 4.00 2.20 0.30
assign (resid 13 and name he)
 (resid 13 and name hg*)
 4.00 2.20 0.30
assign (resid 13 and name hh2*)
 (resid 13 and name hd*)
 5.00 3.20 0.30
assign (resid 14 and name ha)
 (resid 14 and name hg*)
    5.00     3.20     0.30
assign (resid 14 and name hn)
 (resid 14 and name hg*)
    4.00     2.20     0.30
assign (resid 15 and name hb1)
 (resid 15 and name hn)
    4.00     2.20     0.30
assign (resid 15 and name hg)
 (resid 15 and name hn)
    4.00     2.20     0.30
assign (resid 15 and name hg)
 (resid 15 and name ha)
    4.00     2.20     0.30
assign (resid 15 and name hd1*)
 (resid 15 and name hb*)
    3.00     1.20     0.30
assign (resid 15 and name hd1*)
 (resid 15 and name hn)
    5.00     3.20     0.30
assign (resid 15 and name hd2*)
 (resid 15 and name hb*)
    3.00     1.20     0.30
assign (resid 15 and name hd2*)
 (resid 15 and name hn)
    5.00     3.20     0.30
assign (resid 16 and name hb1)
 (resid 16 and name hn)
    3.00     1.20     0.30
assign (resid 16 and name hb2)
 (resid 16 and name hn)
    3.00     1.20     0.30
assign (resid 17 and name hb)
 (resid 17 and name hn)
    3.00     1.20     0.30
assign (resid 17 and name hg1*)
 (resid 17 and name hn)
    5.00     3.20     0.30
assign (resid 17 and name hg2*)
 (resid 17 and name hn)
    3.00     1.20     0.30
assign (resid 17 and name hg2*)
 (resid 17 and name ha)
    3.00     1.20     0.30
assign (resid 18 and name hn)
 (resid 18 and name hb*)
 3.00 1.20 0.30
assign (resid 19 and name hb1)
 (resid 19 and name hn)
    4.00     2.20     0.30
assign (resid 19 and name hb2)
 (resid 19 and name hn)
    3.00     1.20     0.30
assign (resid 21 and name hb)
 (resid 21 and name hn)
    3.00    1.20     0.30
assign (resid 21 and name hg2*)
 (resid 21 and name hn)
    3.00    1.20     0.30
assign (resid 21 and name hg1*)
 (resid 21 and name hn)
    4.00     2.20     0.30
assign (resid 21 and name hg2*)
 (resid 21 and name ha)
    4.00    2.20     0.30
assign (resid 21 and name hg1*)
 (resid 21 and name ha)
    3.00    1.20     0.30
assign (resid 23 and name hn)
 (resid 23 and name hb*)
 5.00 3.20 0.30
assign (resid 23 and name hn)
 (resid 23 and name hg)
 4.00 2.20 0.30
assign (resid 23 and name hn)
 (resid 23 and name hd1*)
 4.00 2.20 0.30
assign (resid 23 and name ha)
 (resid 23 and name hd1*)
 4.00 2.20 0.30
assign (resid 23 and name ha)
 (resid 23 and name hd2*)
 4.00 2.20 0.30
assign (resid 26 and name hn)
 (resid 26 and name hb*)
 3.00 1.20 0.30
assign (resid 27 and name hn)
 (resid 27 and name hb*)
 5.00 3.20 0.30
assign (resid 28 and name hn)
 (resid 28 and name hb)
 4.00 2.20 0.30
assign (resid 30 and name hn)
 (resid 30 and name hb2)
 3.00 1.20 0.30
assign (resid 30 and name hn)
 (resid 30 and name hb1)
 3.00 1.20 0.30
assign (resid 30 and name ha)
 (resid 30 and name hd21)
 3.00 1.20 0.30
assign (resid 30 and name ha)
 (resid 30 and name hd22)
 5.00 3.20 0.30
assign (resid 31 and name ha1)
 (resid 31 and name hn)
    3.00     1.20     0.30
assign (resid 31 and name ha2)
 (resid 31 and name hn)
    3.00     1.20     0.30
assign (resid 32 and name ha)
 (resid 32 and name hd1*)
    4.00     2.20     0.30
assign (resid 32 and name ha)
 (resid 32 and name hg1*)
    5.00     3.20     0.30
assign (resid 32 and name ha)
 (resid 32 and name hg2*)
    3.00     1.20     0.30
assign (resid 32 and name hb)
 (resid 32 and name hn)
    3.00     1.20     0.30
assign (resid 32 and name hb)
 (resid 32 and name hd1*)
    4.00     2.20     0.30
assign (resid 32 and name hg1*)
 (resid 32 and name hn)
    4.00     2.20     0.30
assign (resid 32 and name hg2*)
 (resid 32 and name hn)
    5.00     3.20     0.30
assign (resid 32 and name hd1*)
 (resid 32 and name hn)
    5.00     3.20     0.30
!assign (resid 33 and name hn)
! (resid 33 and name hb*)
! 3.00 1.20 0.30
!assign (resid 33 and name ha)
! (resid 33 and name hd*)
! 3.00 1.20 0.30
!assign (resid 33 and name ha)
! (resid 33 and name he*)
! 4.00 2.20 0.30
assign (resid 34 and name hb1)
 (resid 34 and name hn)
    4.00     2.20     0.30
assign (resid 34 and name hb2)
 (resid 34 and name hn)
    4.00     2.20     0.30
assign (resid 49 and name ha)
 (resid 49 and name hd2)
 5.00 3.20 0.30
assign (resid 49 and name ha)
 (resid 49 and name he1)
 5.00 3.20 0.30
assign (resid 50 and name hn)
 (resid 50 and name hg2*)
 4.00 2.20 0.30
assign (resid 50 and name hn)
 (resid 50 and name hg1*)
 4.00 2.20 0.30
assign (resid 51 and name hb1)
 (resid 51 and name hn)
    3.00     1.20     0.30
assign (resid 51 and name hb2)
 (resid 51 and name hn)
    4.00     2.20     0.30
assign (resid 51 and name hn)
 (resid 51 and name hd*)
 3.00 1.20 0.30
assign (resid 51 and name ha)
 (resid 51 and name hd*)
 3.00 1.20 0.30
assign (resid 52 and name hb)
 (resid 52 and name hn)
    3.00     1.20     0.30
assign (resid 52 and name hg2*)
 (resid 52 and name hn)
    3.00     1.20     0.30
assign (resid 52 and name hg1*)
 (resid 52 and name hn)
    4.00     2.20     0.30
assign (resid 52 and name hg2*)
 (resid 52 and name ha)
    3.00     1.20     0.30
assign (resid 52 and name hg1*)
 (resid 52 and name ha)
    3.00     1.20     0.30
assign (resid 53 and name hb1)
 (resid 53 and name hn)
     3.00     1.20     0.30
assign (resid 53 and name hb2)
 (resid 53 and name hn)
    3.00     1.20     0.30
assign (resid 53 and name ha)
 (resid 53 and name hd2*)
    5.00     3.20     0.30
assign (resid 54 and name hn)
 (resid 54 and name hb*)
 4.00 2.20 0.30
assign (resid 54 and name ha)
 (resid 54 and name hg*)
    4.00     2.20     0.30
assign (resid 54 and name hg*)
 (resid 54 and name hn)
    4.00     2.20     0.30
assign (resid 55 and name hn)
 (resid 55 and name hb*)
 4.00 2.20 0.30
assign (resid 56 and name hb1)
 (resid 56 and name hn)
    4.00     2.20     0.30
assign (resid 56 and name hb2)
 (resid 56 and name hn)
    4.00     2.20     0.20
assign (resid 57 and name hn)
 (resid 57 and name hb)
 4.00 2.20 0.30
assign (resid 57 and name hn)
 (resid 57 and name hg2*)
 3.00 1.20 0.30
assign (resid 57 and name ha)
 (resid 57 and name hg2*)
 3.00 1.20 0.30
assign (resid 58 and name hn)
 (resid 58 and name hb*)
 4.00 2.20 0.30
assign (resid 59 and name ha)
 (resid 59 and name hd*)
 5.00 3.20 0.30
assign (resid 59 and name ha)
 (resid 59 and name hg*)
 3.00 1.20 0.30
assign (resid 59 and name he*)
 (resid 59 and name hb1)
 4.00 2.20 0.30
assign (resid 59 and name he*)
 (resid 59 and name hg*)
 4.00 2.20 0.30
assign (resid 59 and name hn)
 (resid 59 and name hb1)
 4.00 2.20 0.30
assign (resid 59 and name hn)
 (resid 59 and name hb2)
 3.00 1.20 0.30
assign (resid 59 and name hn)
 (resid 59 and name hg*)
 3.00 1.20 0.30
assign (resid 59 and name hd*)
 (resid 59 and name hn)
    5.00     2.20     0.30
assign (resid 60 and name hn)
 (resid 60 and name hb)
 3.00 1.20 0.30
assign (resid 60 and name hn)
 (resid 60 and name hg2*)
 3.00 1.20 0.30
assign (resid 60 and name hn)
 (resid 60 and name hg1*)
 4.00 2.20 0.30
assign (resid 60 and name ha)
 (resid 60 and name hg1*)
 4.00 2.20 0.30
assign (resid 60 and name ha)
 (resid 60 and name hg2*)
 4.00 2.20 0.30
assign (resid 62 and name hn)
 (resid 62 and name hb*)
 4.00 2.20 0.30
assign (resid 63 and name hn)
 (resid 63 and name hb*)
 3.00 1.20 0.30
assign (resid 64 and name ha)
 (resid 64 and name hd2*)
 5.00 3.20 0.30
assign (resid 65 and name ha)
 (resid 65 and name hg*)
 4.00 2.20 0.30
assign (resid 65 and name hn)
 (resid 65 and name hb*)
 3.00 1.20 0.30
assign (resid 65 and name hn)
 (resid 65 and name hg*)
 4.00 2.20 0.30
assign (resid 66 and name hb1)
 (resid 66 and name hn)
    3.00     1.20     0.30
assign (resid 66 and name hb2)
 (resid 66 and name hn)
    3.00     1.20     0.30
assign (resid 66 and name hg*)
 (resid 66 and name hn)
    5.00     3.20     0.30
assign (resid 67 and name hg*)
 (resid 67 and name hn)
    4.00     2.20     0.30
assign (resid 68 and name hb)
 (resid 68 and name hn)
    3.00     1.20     0.30
assign (resid 68 and name hg2*)
 (resid 68 and name hn)
    5.00     3.20     0.30
assign (resid 68 and name hd1*)
 (resid 68 and name hn)
    5.00     3.20     0.30
assign (resid 68 and name hg1*)
 (resid 68 and name ha)
    4.00     2.20     0.30
assign (resid 68 and name hg2*)
 (resid 68 and name ha)
    3.00     1.20     0.30
assign (resid 68 and name hd1*)
 (resid 68 and name ha)
    5.00     3.20     0.30
assign (resid 68 and name hd1*)
 (resid 68 and name hb)
    5.00     3.20     0.30
assign (resid 68 and name hg1*)
 (resid 68 and name hn)
    4.00     2.20     0.30
assign (resid 68 and name hg2*)
 (resid 68 and name hn)
    4.00     2.20     0.30
assign (resid 69 and name hn)
 (resid 69 and name ha1)
 3.00 1.20 0.30
assign (resid 69 and name ha2)
 (resid 69 and name hn)
    3.00     1.20     0.30
assign (resid 72 and name hb*)
 (resid 72 and name hn)
    4.00     2.20     0.30
assign (resid 72 and name hg*)
 (resid 72 and name hn)
    4.00     2.20     0.30
assign (resid 73 and name hb*)
 (resid 73 and name hn)
    4.00     2.20     0.30
assign (resid 74 and name hn)
 (resid 74 and name hg1*)
 5.00 3.20 0.30
assign (resid 74 and name hn)
 (resid 74 and name hg2*)
  3.00 2.20 0.30
assign (resid 74 and name hg1*)
 (resid 74 and name ha)
    4.00     2.20     0.30
assign (resid 75 and name hb)
 (resid 75 and name hn)
    5.00     3.20     0.30
assign (resid 75 and name hg2*)
 (resid 75 and name hn)
    4.00     2.20     0.30
assign (resid 75 and name hg2*)
 (resid 75 and name ha)
    3.00     1.20     0.30
assign (resid 76 and name hn)
 (resid 76 and name hb*)
 3.00 1.20 0.30
assign (resid 77 and name hb1)
 (resid 77 and name hn)
    3.00     1.20     0.30
assign (resid 77 and name hb2)
 (resid 77 and name hn)
    3.00     1.20    0.30
assign (resid 77 and name hg*)
 (resid 77 and name hn)
    5.00     3.20     0.30
assign (resid 77 and name hg*)
 (resid 77 and name ha)
    3.00     1.20     0.30
assign (resid 78 and name hd1*)
 (resid 78 and name ha)
   3.00     1.20     0.30
assign (resid 78 and name hd2*)
 (resid 78 and name ha)
    4.00     2.20     0.30
assign (resid 78 and name hg)
 (resid 78 and name ha)
    4.00     2.20     0.30
assign (resid 78 and name hd1*)
 (resid 78 and name hn)
   5.00     3.20     0.30
assign (resid 78 and name hd1*)
 (resid 78 and name hb*)
   3.00     1.20     0.30
assign (resid 78 and name hd2*)
 (resid 78 and name hb*)
   3.00     1.20     0.30
assign (resid 79 and name hb1)
 (resid 79 and name hn)
    5.00     3.20     0.30
assign (resid 79 and name hb2)
 (resid 79 and name hn)
    4.00     2.20     0.30
assign (resid 79 and name hg*)
 (resid 79 and name ha)
    3.00     1.20     0.30
assign (resid 79 and name hg*)
 (resid 79 and name hn)
    5.00     3.20     0.30
assign (resid 79 and name hd*)
 (resid 79 and name ha)
    5.00     3.20     0.30
assign (resid 79 and name he*)
 (resid 79 and name ha)
    4.00     2.20     0.30
assign (resid 81 and name hd2*)
 (resid 81 and name hn)
 5.00 3.20 0.30
assign (resid 81 and name hd2*)
 (resid 81 and name hb*)
 4.00 2.20 0.30
assign (resid 81 and name hb*)
 (resid 81 and name hn)
    3.00     1.20     0.30
assign (resid 82 and name hb*)
 (resid 82 and name hn)
    3.00     1.20     0.30
assign (resid 82 and name ha)
 (resid 82 and name hg)
    5.00     3.20     0.30
assign (resid 82 and name hg)
 (resid 82 and name hn)
    4.00     2.20     0.30
assign (resid 83 and name hb*)
 (resid 83 and name hn)
    5.00     3.20     0.30
assign (resid 83 and name hb*)
 (resid 83 and name he)
    5.00     3.20     0.30
assign (resid 83 and name hb*)
 (resid 83 and name hd*)
    5.00     3.20     0.30
assign (resid 83 and name he)
 (resid 83 and name hh1*)
    5.00     3.20     0.30
assign (resid 83 and name he)
 (resid 83 and name hd2)
    4.00     2.20     0.30
assign (resid 83 and name he)
 (resid 83 and name hd1)
    3.00     1.20     0.30
assign (resid 87 and name hb*)
 (resid 87 and name hn)
    3.00     1.20     0.30
assign (resid 88 and name hn)
 (resid 88 and name hg1*)
 4.00 2.20 0.30
assign (resid 88 and name hn)
 (resid 88 and name hd1*)
 5.00 3.20 0.30
assign (resid 88 and name ha)
 (resid 88 and name hg1*)
 5.00 3.20 0.30
assign (resid 88 and name ha)
 (resid 88 and name hg2*)
 3.00 1.20 0.30
assign (resid 88 and name ha)
 (resid 88 and name hd1*)
 5.00 3.20 0.30
assign (resid 88 and name hb)
 (resid 88 and name hd1*)
 4.00 2.20 0.30
assign (resid 89 and name hb)
 (resid 89 and name hn)
    3.00     1.20     0.30
assign (resid 89 and name hg1*)
 (resid 89 and name hn)
    4.00     2.20     0.30
assign (resid 89 and name hg2*)
 (resid 89 and name hn)
    4.00     2.20     0.30
assign (resid 89 and name hg2*)
 (resid 89 and name ha)
    3.00     1.20     0.30
assign (resid 89 and name hd1*)
 (resid 89 and name hn)
    4.00     2.20     0.30
assign (resid 89 and name hd1*)
 (resid 89 and name ha)
    3.00     1.20     0.30
assign (resid 89 and name hd1*)
 (resid 89 and name hb)
    5.00     3.20     0.30
assign (resid 90 and name hb*)
 (resid 90 and name hn)
    3.00     1.20     0.30
assign (resid 90 and name ha)
 (resid 90 and name he*)
    4.00     2.20     0.30
assign (resid 90 and name hg*)
 (resid 90 and name he*)
    4.00     2.20     0.30
assign (resid 91 and name ha)
 (resid 91 and name hg2*)
 3.00 1.20 0.30
assign (resid 91 and name hn)
 (resid 91 and name hg2*)
 4.00 2.20 0.30
assign (resid 91 and name hn)
 (resid 91 and name hb)
 5.00 3.20 0.30
assign (resid 93 and name hb*)
 (resid 93 and name hn)
    3.00     1.20     0.30
assign (resid 93 and name hg*)
 (resid 93 and name hn)
    4.00     2.20     0.30
assign (resid 93 and name hg*)
 (resid 93 and name ha)
    3.00     1.20     0.30
assign (resid 94 and name hb1)
 (resid 94 and name hn)
    4.00     2.20     0.30
assign (resid 94 and name hb2)
 (resid 94 and name hn)
    3.00     1.20     0.30
assign (resid 94 and name hb2)
 (resid 94 and name hd1*)
    4.00     2.20     0.30
assign (resid 94 and name hb1)
 (resid 94 and name hd1*)
    3.00     1.20     0.30
assign (resid 94 and name hb1)
 (resid 94 and name hd2*)
    3.00     1.20     0.30
assign (resid 94 and name hb2)
 (resid 94 and name hd2*)
    5.00     3.20     0.30
assign (resid 94 and name hg)
 (resid 94 and name hn)
    4.00     2.20     0.30
assign (resid 94 and name hg)
 (resid 94 and name ha)
    4.00     2.20     0.30
assign (resid 94 and name hd1*)
 (resid 94 and name hn)
    4.00     2.20     0.30
assign (resid 94 and name hd2*)
 (resid 94 and name hn)
    4.00     2.20     0.30
assign (resid 94 and name hd2*)
 (resid 94 and name ha)
     3.00     1.20     0.30
assign (resid 94 and name hd1*)
 (resid 94 and name ha)
    5.00     3.20     0.30
assign (resid 95 and name hb*)
 (resid 95 and name hn)
    3.00     1.20     0.30
assign (resid 97 and name ha)
 (resid 97 and name hd1*)
    4.00     2.20     0.30
assign (resid 97 and name hb)
 (resid 97 and name hn)
    3.00     1.20     0.30
assign (resid 97 and name hb)
 (resid 97 and name hd1*)
    3.00     1.20     0.30
assign (resid 97 and name hg1*)
 (resid 97 and name hn)
    5.00     3.20     0.30
assign (resid 97 and name hg1*)
 (resid 97 and name ha)
    4.00     2.20     0.30
assign (resid 97 and name hg2*)
 (resid 97 and name hn)
    3.00     1.20     0.30
assign (resid 97 and name hd1*)
 (resid 97 and name hn)
    4.00     2.20     0.30
assign (resid 98 and name hg2*)
 (resid 98 and name hn)
    3.00     1.20     0.30
assign (resid 98 and name hg1*)
 (resid 98 and name hn)
    5.00     2.20     0.30
assign (resid 98 and name hg2*)
 (resid 98 and name ha)
    3.00     1.20     0.30
assign (resid 98 and name hg1*)
 (resid 98 and name ha)
    3.00     1.20     0.30
assign (resid 98 and name hb)
 (resid 98 and name ha)
    4.00     2.20     0.30
assign (resid 99 and name hg2*)
 (resid 99 and name hn)
    3.00     1.20     0.30
assign (resid 99 and name hg1*)
 (resid 99 and name hn)
    4.00     2.20     0.30
assign (resid 99 and name hg2*)
 (resid 99 and name ha)
    3.00     1.20     0.30
assign (resid 99 and name hg1*)
 (resid 99 and name ha)
    3.00     1.20     0.30
assign (resid 100 and name hb*)
 (resid 100 and name hn)
    3.00     1.20     0.30
assign (resid 101 and name hb)
 (resid 101 and name hn)
    3.00     1.20     0.30
assign (resid 101 and name hg1*)
 (resid 101 and name hn)
    4.00     2.20     0.30
assign (resid 101 and name hg2*)
 (resid 101 and name ha)
    3.00     1.20     0.30
assign (resid 101 and name hg1*)
 (resid 101 and name ha)
    3.00     1.20     0.30
assign (resid 103 and name hb*)
 (resid 103 and name hn)
    4.00     2.20     0.30
assign (resid 104 and name ha)
 (resid 104 and name hg*)
    4.00     2.20     0.30
assign (resid 104 and name ha)
 (resid 104 and name hd*)
    4.00     2.20     0.30
assign (resid 104 and name ha)
 (resid 104 and name he)
    5.00     3.20     0.30
assign (resid 104 and name hb*)
  (resid 104 and name hd*)
    3.00     1.20     0.30
assign (resid 104 and name hb*)
 (resid 104 and name he)
    4.00     2.20     0.30
assign (resid 104 and name hg*)
 (resid 104 and name he)
    4.00     2.20     0.30
assign (resid 104 and name hg*)
  (resid 104 and name hn)
    5.00     3.20     0.30
assign (resid 104 and name hd*)
  (resid 104 and name hn)
    5.00     3.20     0.30
!assign (resid 106 and name ha)
! (resid 106 and name he3)
!    3.00     1.20     0.30
!assign (resid 106 and name hb*)
! (resid 106 and name he3)
!    5.00     3.20     0.30
!assign (resid 106 and name hb*)
! (resid 106 and name hz3)
!    5.00     3.20     0.30
!assign (resid 106 and name hn)
! (resid 106 and name hd1)
! 5.00 3.20 0.30

!hydrogen bonding at the  metal center from Nitin's data and Adx structure
!
assign (resid 45 and name sg)
  (resid 47 and name n) 
 3.4 0.4 0.9
assign (resid 45 and name sg)
  (resid 47 and name hn)
  2.4 0.4 0.9
!
!hydrogen bonding from structure
!
assign (resid 2 and name o)
  (resid 96 and name hn)
  2.4 0.4 0.9
assign (resid 2 and name o)
  (resid 96 and name n) 
 3.4 0.4 0.9
assign (resid 3 and name hn)
  (resid 15 and name o)
  2.4 0.4 0.9
assign (resid 3 and name n)
  (resid 15 and name o) 
 3.4 0.4 0.9
assign (resid 3 and name o)
  (resid 15 and name hn)
  2.4 0.4 0.9
assign (resid 3 and name o)
  (resid 15 and name n)
  3.4 0.4 0.9
assign (resid 4 and name hn)
  (resid 97 and name o)
  2.4 0.4 0.9
assign (resid 4 and name n)
  (resid 97 and name o) 
 3.4 0.4 0.9
assign (resid 4 and name o)
  (resid 99 and name hn)
  2.4 0.4 0.9
assign (resid 4 and name o)
  (resid 99 and name n) 
 3.4 0.4 0.9
assign (resid 5 and name o)
  (resid 13 and name hn)
  2.4 0.4 0.9
assign (resid 5 and name o)
  (resid 13 and name n) 
 3.4 0.4 0.9
assign (resid 6 and name o)
  (resid 101 and name hn)
  2.4 0.4 0.9
assign (resid 6 and name o)
  (resid 101 and name n) 
 3.4 0.4 0.9
assign (resid 18 and name o)
  (resid 21 and name hn)
  2.4 0.4 0.9
assign (resid 18 and name o)
  (resid 21 and name n) 
 3.4 0.4 0.9
assign (resid 21 and name o)
  (resid 90 and name hn)
  2.4 0.4 0.9
assign (resid 21 and name o)
  (resid 90 and name n) 
 3.4 0.4 0.9
assign (resid 23 and name o)
  (resid 27 and name hn)
  2.4 0.4 0.9
assign (resid 23 and name o)
  (resid 27 and name n) 
 3.4 0.4 0.9
assign (resid 23 and name hn)
  (resid 88 and name o)
  2.4 0.4 0.9
assign (resid 23 and name n)
  (resid 88 and name o) 
 3.4 0.4 0.9
assign (resid 26 and name o)
  (resid 30 and name hn)
  2.4 0.4 0.9
assign (resid 26 and name o)
  (resid 30 and name n) 
 3.4 0.4 0.9
assign (resid 50 and name hn)
  (resid 83 and name o)
  2.4 0.4 0.9
assign (resid 50 and name n)
  (resid 83 and name o) 
 3.4 0.4 0.9
assign (resid 53 and name o)
  (resid 56 and name hn)
  2.4 0.4 0.9
assign (resid 53 and name o)
  (resid 56 and name n) 
 3.4 0.4 0.9
assign (resid 64 and name o)
  (resid 68 and name hn)
  2.4 0.4 0.9
assign (resid 64 and name o)
  (resid 68 and name n) 
 3.4 0.4 0.9
assign (resid 68 and name o)
  (resid 72 and name hn)
  2.4 0.4 0.9
assign (resid 68 and name o)
  (resid 72 and name n) 
 3.4 0.4 0.9
assign (resid 71 and name o)
  (resid 74 and name hn)
  2.4 0.4 0.9
assign (resid 71 and name o)
  (resid 74 and name n) 
 3.4 0.4 0.9


!dihedral angles for Pdxo
!dihedral angles for ligating cysteines
assign (resid 39 and name n)   (resid 39 and name ca)
       (resid 39 and name cb)  (resid 39 and name sg)   1   83.8    10.0   2 
assign (resid 45 and name n)   (resid 45 and name ca)
       (resid 45 and name cb)  (resid 45 and name sg)   1   72.3    10.0   2  
assign (resid 48 and name n)   (resid 48 and name ca)
       (resid 48 and name cb)  (resid 48 and name sg)   1   60.7    10.0   2  
assign (resid 86 and name n)   (resid 86 and name ca)
       (resid 86 and name cb)  (resid 86 and name sg)   1   58.8    10.0   2  
assign (resid 39 and name ca)  (resid 39 and name cb)
       (resid 39 and name sg)  (resid 107 and name fe1) 1  -81.5    10.0   2  
assign (resid 45 and name ca)  (resid 45 and name cb)
       (resid 45 and name sg)  (resid 107 and name fe1) 1  -61.6    10.0   2  
assign (resid 48 and name ca)  (resid 48 and name cb)
       (resid 48 and name sg)  (resid 107 and name fe2) 1  -127.8   10.0   2  
assign (resid 86 and name ca)  (resid 86 and name cb)
       (resid 86 and name sg)  (resid 107 and name fe2) 1  -114.9   10.0   2  

!phi angles from HNHA and J-resolved HSQC
      assign (resid 1 and name c)     (resid 2 and name n)
      (resid 2 and name ca)    (resid 2 and name c)
     1      -78.000     20.0     2
    assign (resid 2 and name c)     (resid 3 and name n)
      (resid 3 and name ca)    (resid 3 and name c)
     1     -120.000     20.0     2
      assign (resid 3 and name c)     (resid 4 and name n)
      (resid 4 and name ca)    (resid 4 and name c)
     1     -120.000     20.0     2
      assign (resid 4 and name c)     (resid 5 and name n)
      (resid 5 and name ca)    (resid 5 and name c)
     1      -88.000     20.0     2
      assign (resid 5 and name c)     (resid 6 and name n)
      (resid 6 and name ca)    (resid 6 and name c)
     1     -120.000     20.0     2
      assign (resid 6 and name c)     (resid 7 and name n)
      (resid 7 and name ca)    (resid 7 and name c)
     1      -88.000     20.0     2
      assign (resid 7 and name c)     (resid 8 and name n)
      (resid 8 and name ca)    (resid 8 and name c)
     1      -97.000     20.0     2
      assign (resid 8 and name c)     (resid 9 and name n)
      (resid 9 and name ca)    (resid 9 and name c)
     1      -71.000     20.0     2
      assign (resid 9 and name c)     (resid 10 and name n)
      (resid 10 and name ca)    (resid 10 and name c)
     1       94.000     20.0     2
    assign (resid 10 and name c)     (resid 11 and name n)
      (resid 11 and name ca)    (resid 11 and name c)
     1     -73.000     20.0     2
    assign (resid 11 and name c)     (resid 12 and name n)
      (resid 12 and name ca)    (resid 12 and name c)
     1     -99.000     20.0     2
      assign (resid 12 and name c)     (resid 13 and name n)
      (resid 13 and name ca)    (resid 13 and name c)
     1     -120.000     20.0     2
      assign (resid 13 and name c)     (resid 14 and name n)
      (resid 14 and name ca)    (resid 14 and name c)
     1     -120.000     30.0     2
      assign (resid 14 and name c)     (resid 15 and name n)
      (resid 15 and name ca)    (resid 15 and name c)
     1     -120.000     20.0     2
      assign (resid 15 and name c)     (resid 16 and name n)
      (resid 16 and name ca)    (resid 16 and name c)
     1     -133.000     20.0     2
     assign (resid 16 and name c)     (resid 17 and name n)
      (resid 17 and name ca)    (resid 17 and name c)
     1     -110.000     20.0     2
   assign (resid 17 and name c)     (resid 18 and name n)
      (resid 18 and name ca)    (resid 18 and name c)
     1     -69.000     20.0     2
      assign (resid 18 and name c)     (resid 19 and name n)
      (resid 19 and name ca)    (resid 19 and name c)
     1     -54.000     20.0     2
      assign (resid 19 and name c)     (resid 20 and name n)
      (resid 20 and name ca)    (resid 20 and name c)
     1      91.000     20.0     2
      assign (resid 20 and name c)     (resid 21 and name n)
      (resid 21 and name ca)    (resid 21 and name c)
     1     -105.000     20.0     2
      assign (resid 21 and name c)     (resid 22 and name n)
      (resid 22 and name ca)    (resid 22 and name c)
     1     -75.000     20.0     2
 assign (resid 22 and name c)     (resid 23 and name n)
      (resid 23 and name ca)    (resid 23 and name c)
     1     -58.000      20.0     2
      assign (resid 25 and name c)     (resid 26 and name n)
      (resid 26 and name ca)    (resid 26 and name c)
     1     -67.000      20.0     2
      assign (resid 26 and name c)     (resid 27 and name n)
      (resid 27 and name ca)    (resid 27 and name c)
     1     -68.000      20.0     2
      assign (resid 27 and name c)     (resid 28 and name n)
      (resid 28 and name ca)    (resid 28 and name c)
     1     -66.000      20.0     2
      assign (resid 28 and name c)     (resid 29 and name n)
      (resid 29 and name ca)    (resid 29 and name c)
     1     -83.000      20.0     2
      assign (resid 29 and name c)     (resid 30 and name n)
      (resid 30 and name ca)    (resid 30 and name c)
     1     -120.000     20.0     2
      assign (resid 30 and name c)     (resid 31 and name n)
      (resid 31 and name ca)    (resid 31 and name c)
     1       95.000     20.0     2
      assign (resid 31 and name c)     (resid 32 and name n)
      (resid 32 and name ca)    (resid 32 and name c)
     1     -93.000     20.0     2
      assign (resid 32 and name c)     (resid 33 and name n)
      (resid 33 and name ca)    (resid 33 and name c)
     1     -59.000     20.0     2
      assign (resid 33 and name c)     (resid 34 and name n)
      (resid 34 and name ca)    (resid 34 and name c)
     1     -70.000     20.0     2
      assign (resid 49 and name c)     (resid 50 and name n)
      (resid 50 and name ca)    (resid 50 and name c)
     1     -160.000     20.0     2
      assign (resid 50 and name c)     (resid 51 and name n)
      (resid 51 and name ca)    (resid 51 and name c)
     1     -120.000     20.0     2
      assign (resid 51 and name c)     (resid 52 and name n)
      (resid 52 and name ca)    (resid 52 and name c)
     1    -83.000     20.0     2
      assign (resid 52 and name c)     (resid 53 and name n)
      (resid 53 and name ca)    (resid 53 and name c)
     1     -49.000      20.0     2
      assign (resid 53 and name c)     (resid 54 and name n)
      (resid 54 and name ca)    (resid 54 and name c)
     1     -52.000      20.0     2
      assign (resid 54 and name c)     (resid 55 and name n)
      (resid 55 and name ca)    (resid 55 and name c)
     1     -79.000      20.0     2
      assign (resid 55 and name c)     (resid 56 and name n)
      (resid 56 and name ca)    (resid 56 and name c)
     1     -120.000      20.0     2
      assign (resid 56 and name c)     (resid 57 and name n)
      (resid 57 and name ca)    (resid 57 and name c)
     1     -67.000      20.0     2
      assign (resid 57 and name c)     (resid 58 and name n)
      (resid 58 and name ca)    (resid 58 and name c)
     1     -93.000      20.0     2
      assign (resid 58 and name c)     (resid 59 and name n)
      (resid 59 and name ca)    (resid 59 and name c)
     1     -120.000      20.0     2
      assign (resid 59 and name c)     (resid 60 and name n)
      (resid 60 and name ca)    (resid 60 and name c)
     1     -90.000      20.0     2
      assign (resid 61 and name c)     (resid 62 and name n)
      (resid 62 and name ca)    (resid 62 and name c)
     1     -54.000      20.0     2      
      assign (resid 62 and name c)     (resid 63 and name n)
      (resid 63 and name ca)    (resid 63 and name c)
     1     -59.000      20.0     2
      assign (resid 63 and name c)     (resid 64 and name n)
      (resid 64 and name ca)    (resid 64 and name c)
     1     -107.000      20.0     2
      assign (resid 64 and name c)     (resid 65 and name n)
      (resid 65 and name ca)    (resid 65 and name c)
     1     -49.000      20.0     2
     assign (resid 65 and name c)     (resid 66 and name n)
      (resid 66 and name ca)    (resid 66 and name c)
     1     -74.000      20.0     2
      assign (resid 67 and name c)     (resid 68 and name n)
      (resid 68 and name ca)    (resid 68 and name c)
     1     -57.000      20.0     2
      assign (resid 68 and name c)     (resid 69 and name n)
      (resid 69 and name ca)    (resid 69 and name c)
     1     -80.000      20.0     2
      assign (resid 69 and name c)     (resid 70 and name n)
      (resid 70 and name ca)    (resid 70 and name c)
     1     -59.000      20.0     2
      assign (resid 71 and name c)     (resid 72 and name n)
      (resid 72 and name ca)    (resid 72 and name c)
     1     -63.000      20.0     2
      assign (resid 73 and name c)     (resid 74 and name n)
      (resid 74 and name ca)    (resid 74 and name c)
     1     -58.000      20.0     2
     assign (resid 74 and name c)     (resid 75 and name n)
      (resid 75 and name ca)    (resid 75 and name c)
     1     -100.000      20.0     2
    assign (resid 75 and name c)     (resid 76 and name n)
      (resid 76 and name ca)    (resid 76 and name c)
     1     -105.000      20.0     2          
      assign (resid 77 and name c)     (resid 78 and name n)
      (resid 78 and name ca)    (resid 78 and name c)
      1     -81.000     20.0     2   
      assign (resid 78 and name c)     (resid 79 and name n)
      (resid 79 and name ca)    (resid 79 and name c)
      1     -120.000     20.0     2   
      assign (resid 80 and name c)     (resid 81 and name n)
      (resid 81 and name ca)    (resid 81 and name c)
     1     -120.000     20.0     2
      assign (resid 81 and name c)     (resid 82 and name n)
      (resid 82 and name ca)    (resid 82 and name c)
     1     -67.000     20.0     2
      assign (resid 82 and name c)     (resid 83 and name n)
      (resid 83 and name ca)    (resid 83 and name c)
     1     -151.000     20.0     2
      assign (resid 87 and name c)     (resid 88 and name n)
      (resid 88 and name ca)    (resid 88 and name c)
     1     -100.000     20.0     2
      assign (resid 88 and name c)     (resid 89 and name n)
      (resid 89 and name ca)    (resid 89 and name c)
     1     -103.000     20.0     2
      assign (resid 89 and name c)     (resid 90 and name n)
      (resid 90 and name ca)    (resid 90 and name c)
     1     -61.000     20.0     2
      assign (resid 90 and name c)     (resid 91 and name n)
      (resid 91 and name ca)    (resid 91 and name c)
     1     -94.000     20.0     2
      assign (resid 92 and name c)     (resid 93 and name n)
      (resid 93 and name ca)    (resid 93 and name c)
     1     -72.000     20.0     2
      assign (resid 93 and name c)     (resid 94 and name n)
      (resid 94 and name ca)    (resid 94 and name c)
     1     -111.000     20.0     2
      assign (resid 94 and name c)     (resid 95 and name n)
      (resid 95 and name ca)    (resid 95 and name c)
     1     -41.000     20.0     2
      assign (resid 95 and name c)     (resid 96 and name n)
      (resid 96 and name ca)    (resid 96 and name c)
     1     104.000     20.0     2
      assign (resid 96 and name c)     (resid 97 and name n)
      (resid 97 and name ca)    (resid 97 and name c)
     1     -45.000     20.0     2
      assign (resid 97 and name c)     (resid 98 and name n)
      (resid 98 and name ca)    (resid 98 and name c)
     1     -100.000     40.0     2
      assign (resid 98 and name c)     (resid 99 and name n)
      (resid 99 and name ca)    (resid 99 and name c)
     1     -120.000     20.0     2
      assign (resid 99 and name c)     (resid 100 and name n)
      (resid 100 and name ca)    (resid 100 and name c)
     1     -101.000     20.0     2
      assign (resid 100 and name c)     (resid 101 and name n)
      (resid 101 and name ca)    (resid 101 and name c)
     1     -94.000     20.0     2
      assign (resid 102 and name c)     (resid 103 and name n)
      (resid 103 and name ca)    (resid 103 and name c)
     1     -71.000     20.0     2
      assign (resid 103 and name c)     (resid 104 and name n)
      (resid 104 and name ca)    (resid 104 and name c)
     1     -70.000     40.0     2
      assign (resid 104 and name c)     (resid 105 and name n)
      (resid 105 and name ca)    (resid 105 and name c)
     1     -120.000     20.0     2
      assign (resid 105 and name c)     (resid 106 and name n)
      (resid 106 and name ca)    (resid 106 and name c)
     1     -93.000     20.0     2

 
  !CHI ANGLES

      assign (resid 4 and name ha)     (resid 4 and name ca)
      (resid 4 and name cb)    (resid 4 and name hb)
     1     180.000     60.0     2
      assign (resid 5 and name ha)     (resid 5 and name ca)
      (resid 5 and name cb)    (resid 5 and name hb1)
     1     -60.000     60.0     2
      assign (resid 6 and name ha)     (resid 6 and name ca)
      (resid 6 and name cb)    (resid 6 and name hb)
     1     180.000     60.0     2
      assign (resid 7 and name ha)     (resid 7 and name ca)
      (resid 7 and name cb)    (resid 7 and name hb1)
     1     60.000     60.0     2
      assign (resid 9 and name ha)     (resid 9 and name ca)
      (resid 9 and name cb)    (resid 9 and name hb1)
     1     60.000     60.0     2
      assign (resid 11 and name ha)     (resid 11 and name ca)
      (resid 11 and name cb)    (resid 11 and name hb)
     1     60.000     60.0     2
      assign (resid 12 and name ha)     (resid 12 and name ca)
      (resid 12 and name cb)    (resid 12 and name hb1)
     1     -60.000     60.0     2
      assign (resid 14 and name ha)     (resid 14 and name ca)
      (resid 14 and name cb)    (resid 14 and name hb1)
     1     -60.000     60.0     2
      assign (resid 15 and name ha)     (resid 15 and name ca)
      (resid 15 and name cb)    (resid 15 and name hb1)
     1     -60.000     60.0     2
      assign (resid 19 and name ha)     (resid 19 and name ca)
      (resid 19 and name cb)    (resid 19 and name hb1)
     1     60.000     60.0     2
      assign (resid 22 and name ha)     (resid 22 and name ca)
      (resid 22 and name cb)    (resid 22 and name hb1)
     1     60.000     60.0     2
      assign (resid 23 and name ha)     (resid 23 and name ca)
      (resid 23 and name cb)    (resid 23 and name hb1)
     1     -60.000     60.0     2
      assign (resid 28 and name ha)     (resid 28 and name ca)
      (resid 28 and name cb)    (resid 28 and name hb)
     1     180.000     60.0     2
      assign (resid 29 and name ha)     (resid 29 and name ca)
      (resid 29 and name cb)    (resid 29 and name hb1)
     1     60.000     60.0     2
      assign (resid 30 and name ha)     (resid 30 and name ca)
      (resid 30 and name cb)    (resid 30 and name hb1)
     1     -60.000     60.0     2
      assign (resid 32 and name ha)     (resid 32 and name ca)
      (resid 32 and name cb)    (resid 32 and name hb)
     1     180.000     60.0     2
      assign (resid 34 and name ha)     (resid 34 and name ca)
      (resid 34 and name cb)    (resid 34 and name hb1)
     1     60.000     60.0     2
       assign (resid 51 and name ha)     (resid 51 and name ca)
      (resid 51 and name cb)    (resid 51 and name hb1)
     1     -60.000     60.0     2
       assign (resid 52 and name ha)     (resid 52 and name ca)
      (resid 52 and name cb)    (resid 52 and name hb)
     1     180.000     60.0     2
       assign (resid 54 and name ha)     (resid 54 and name ca)
      (resid 54 and name cb)    (resid 54 and name hb1)
     1     60.000     60.0     2
       assign (resid 56 and name ha)     (resid 56 and name ca)
      (resid 56 and name cb)    (resid 56 and name hb1)
     1     -60.000     60.0     2
       assign (resid 57 and name ha)     (resid 57 and name ca)
      (resid 57 and name cb)    (resid 57 and name hb)
     1     -60.000     60.0     2
       assign (resid 58 and name ha)     (resid 58 and name ca)
      (resid 58 and name cb)    (resid 58 and name hb1)
     1      60.000     60.0     2
       assign (resid 59 and name ha)     (resid 59 and name ca)
      (resid 59 and name cb)    (resid 59 and name hb1)
     1     -60.000     60.0     2
       assign (resid 64 and name ha)     (resid 64 and name ca)
      (resid 64 and name cb)    (resid 64 and name hb1)
     1      60.000     60.0     2
       assign (resid 65 and name ha)     (resid 65 and name ca)
      (resid 65 and name cb)    (resid 65 and name hb1)
     1      60.000     60.0     2
       assign (resid 66 and name ha)     (resid 66 and name ca)
      (resid 66 and name cb)    (resid 66 and name hb1)
     1     -60.000     60.0     2
       assign (resid 68 and name ha)     (resid 68 and name ca)
      (resid 68 and name cb)    (resid 68 and name hb)
     1      180.000     60.0     2
       assign (resid 73 and name ha)     (resid 73 and name ca)
      (resid 73 and name cb)    (resid 73 and name hb1)
     1      -60.000     60.0     2
       assign (resid 74 and name ha)     (resid 74 and name ca)
      (resid 74 and name cb)    (resid 74 and name hb)
     1      -60.000     60.0     2
       assign (resid 77 and name ha)     (resid 77 and name ca)
      (resid 77 and name cb)    (resid 77 and name hb1)
     1      60.000     60.0     2
       assign (resid 79 and name ha)     (resid 79 and name ca)
      (resid 79 and name cb)    (resid 79 and name hb1)
     1      -60.000     60.0     2
       assign (resid 81 and name ha)     (resid 81 and name ca)
      (resid 81 and name cb)    (resid 81 and name hb1)
     1      60.000     60.0     2
       assign (resid 82 and name ha)     (resid 82 and name ca)
      (resid 82 and name cb)    (resid 82 and name hb1)
     1      -60.000     60.0     2
       assign (resid 83 and name ha)     (resid 83 and name ca)
      (resid 83 and name cb)    (resid 83 and name hb1)
     1      -60.000     60.0     2
       assign (resid 88 and name ha)     (resid 88 and name ca)
      (resid 88 and name cb)    (resid 88 and name hb)
     1      180.000     60.0     2
       assign (resid 89 and name ha)     (resid 89 and name ca)
      (resid 89 and name cb)    (resid 89 and name hb)
     1      180.000     60.0     2
       assign (resid 91 and name ha)     (resid 91 and name ca)
      (resid 91 and name cb)    (resid 91 and name hb)
     1      -60.000     60.0     2
       assign (resid 93 and name ha)     (resid 93 and name ca)
      (resid 93 and name cb)    (resid 93 and name hb1)
     1      60.000     60.0     2
       assign (resid 94 and name ha)     (resid 94 and name ca)
      (resid 94 and name cb)    (resid 94 and name hb1)
     1      -60.000     60.0     2
       assign (resid 95 and name ha)     (resid 95 and name ca)
      (resid 95 and name cb)    (resid 95 and name hb1)
     1      60.000     60.0     2
       assign (resid 97 and name ha)     (resid 97 and name ca)
      (resid 97 and name cb)    (resid 97 and name hb)
     1      60.000     60.0     2
       assign (resid 100 and name ha)     (resid 100 and name ca)
      (resid 100 and name cb)    (resid 100 and name hb1)
     1      -60.000     60.0     2
       assign (resid 101 and name ha)     (resid 101 and name ca)
      (resid 101 and name cb)    (resid 101 and name hb)
     1      180.000     60.0     2

!phi angles modeled in loop from Adx structure
   
assign (resid 37 and name c )     (resid 38 and name n)
       (resid 38 and name ca)     (resid 38 and name c)  1     -47.88    40.0    2  
assign (resid 38 and name c)      (resid 39 and name n)
       (resid 39 and name ca)     (resid 39 and name c) 1       -84.31   40.0     2  
assign (resid 39 and name c)      (resid 40 and name n)
       (resid 40 and name ca)     (resid 40 and name c) 1    92.000      40.0     2  
assign (resid 40 and name c)      (resid 41 and name n)
       (resid 41 and name ca)     (resid 41 and name c) 1    65.93        40.0     2  
assign (resid 41 and name c)      (resid 42 and name n)
       (resid 42 and name ca)     (resid 42 and name c) 1       -118.96   40.0     2  
assign (resid 42 and name c)      (resid 43 and name n)
       (resid 43 and name ca)     (resid 43 and name c) 1       59.03   40.0     2  
assign (resid 43 and name c)      (resid 44 and name n)
       (resid 44 and name ca)     (resid 44 and name c) 1        -126.40 40.0     2  
assign (resid 44 and name c)      (resid 45 and name n)
       (resid 45 and name ca)     (resid 45 and name c) 1        -153.77  40.0     2  
assign (resid 45 and name c)      (resid 46 and name n)
       (resid 46 and name ca)     (resid 46 and name c) 1        -119.56   40.0     2  
assign (resid 46 and name c)      (resid 47 and name n)
       (resid 47 and name ca)     (resid 47 and name c) 1        -73.26  40.0     2  
assign (resid 47 and name c)      (resid 48 and name n)
       (resid 48 and name ca)     (resid 48 and name c) 1         -98.59 40.0     2  
assign (resid 48 and name c)      (resid 49 and name n)
       (resid 49 and name ca)     (resid 49 and name c) 1        -59.48  40.0     2  
assign (resid 84 and name c)      (resid 85 and name n)
       (resid 85 and name ca)     (resid 85 and name c) 1       -66.62   40.0     2  
assign (resid 85 and name c)      (resid 86 and name n)
       (resid 86 and name ca)     (resid 86 and name c) 1      -97.77    40.0     2 
 
!psi angles in loop modeled from Adx 
assign (resid 38 and name n)  (resid 38 and name ca)
       (resid 38 and name c)  (resid 39 and name n)    1     -51.74     40.0     2 
assign (resid 39 and name n)  (resid 39 and name ca)
       (resid 39 and name c)  (resid 40 and name n)    1      5.71     40.0     2 
assign (resid 40 and name n)  (resid 40 and name ca)
       (resid 40 and name c)  (resid 41 and name n)    1   5.0      40.0     2  
assign (resid 41 and name n)  (resid 41 and name ca)
       (resid 41 and name c)  (resid 42 and name n)    1   48.03       40.0     2 
assign (resid 42 and name n)  (resid 42 and name ca)
       (resid 42 and name c)  (resid 43 and name n)    1     15.61     40.0     2 
assign (resid 43 and name n)  (resid 43 and name ca)
       (resid 43 and name c)  (resid 44 and name n)    1     45.68     40.0     2 
assign (resid 44 and name n)  (resid 44 and name ca)
       (resid 44 and name c)  (resid 45 and name n)    1     16.24     40.0     2 
assign (resid 45 and name n)  (resid 45 and name ca)
       (resid 45 and name c)  (resid 46 and name n)    1     171.0     40.0     2 
assign (resid 46 and name n)  (resid 46 and name ca)
       (resid 46 and name c)  (resid 47 and name n)    1     12.34     40.0     2 
assign (resid 47 and name n)  (resid 47 and name ca)
       (resid 47 and name c)  (resid 48 and name n)    1     -15.12     40.0     2 
assign (resid 48 and name n)  (resid 48 and name ca)
       (resid 48 and name c)  (resid 49 and name n)    1     15.35     40.0    2  
assign (resid 49 and name n)  (resid 49 and name ca)
       (resid 49 and name c)  (resid 50 and name n)    1     129.93     40.0     2 
assign (resid 85 and name n)  (resid 85 and name ca)
       (resid 85 and name c)  (resid 86 and name n)    1     -12.32     40.0     2 
assign (resid 86 and name n)  (resid 86 and name ca)
       (resid 86 and name c)  (resid 87 and name n)    1     -8.67     40.0    2  
!phi modeled from GaPdx (backbone) 
assign (resid 23 and name c)      (resid 24 and name n)
       (resid 24 and name ca)     (resid 24 and name c) 1     -69.000      20.0     2
assign (resid 24 and name c)      (resid 25 and name n)
       (resid 25 and name ca)     (resid 25 and name c) 1     -59.000      20.0     2
assign (resid 70 and name c)      (resid 71 and name n)
       (resid 71 and name ca)     (resid 71 and name c) 1     -61.000      20.0     2
assign (resid 72 and name c)      (resid 73 and name n)
       (resid 73 and name ca)     (resid 73 and name c) 1     -103.000      20.0     2

!! RDC constraints - Bicelle

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 2   and name N )
       ( resid 2   and name HN ) -18.4500  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 3   and name N )
       ( resid 3   and name HN ) -7.1000  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 4   and name N )
       ( resid 4   and name HN ) -6.3200  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 5   and name N )
       ( resid 5   and name HN ) 7.8800  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 6   and name N )
       ( resid 6   and name HN ) 6.8100  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 7   and name N )
       ( resid 7   and name HN ) 14.6200  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 8   and name N )
       ( resid 8   and name HN ) -16.1000  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 9   and name N )
       ( resid 9   and name HN ) -7.1300  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 10  and name N )
       ( resid 10  and name HN ) 10.6200  2.0000 

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 11  and name N )
       ( resid 11  and name HN ) -2.5500  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 12  and name N )
       ( resid 12  and name HN ) 11.2000  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 13  and name N )
       ( resid 13  and name HN ) 7.6700  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 14  and name N )
       ( resid 14  and name HN ) 8.2900  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 15  and name N )
       ( resid 15  and name HN ) -0.4600  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 16  and name N )
       ( resid 16  and name HN ) -16.6200  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 17  and name N )
       ( resid 17  and name HN ) -18.9100  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 18  and name N )
       ( resid 18  and name HN ) -20.6100  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 19  and name N )
       ( resid 19  and name HN ) 13.3600  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 20  and name N )
       ( resid 20  and name HN ) -12.3300  2.0000 

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 21  and name N )
       ( resid 21  and name HN ) 0.3800  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 22  and name N )
       ( resid 22  and name HN ) -16.2600  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 23  and name N )
       ( resid 23  and name HN ) -7.1100  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 26  and name N )
       ( resid 26  and name HN ) -11.8400  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 27  and name N )
       ( resid 27  and name HN ) 5.2700  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 28  and name N )
       ( resid 28  and name HN ) 2.9700  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 29  and name N )
       ( resid 29  and name HN ) -14.1300  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 30  and name N )
       ( resid 30  and name HN ) 5.8900  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 31  and name N )
       ( resid 31  and name HN ) 3.51 2.0000 

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 32  and name N )
       ( resid 32  and name HN ) 7.0500  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 33  and name N )
       ( resid 33  and name HN ) 10.0700  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 34  and name N )
       ( resid 34  and name HN ) 11.9000  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 35  and name N )
       ( resid 35  and name HN ) 10.0000  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 50  and name N )
       ( resid 50  and name HN ) 3.4000  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 51  and name N )
       ( resid 51  and name HN ) 5.8000  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 52  and name N )
       ( resid 52  and name HN ) 14.7000  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 53  and name N )
       ( resid 53  and name HN ) -0.6100  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 54  and name N )
       ( resid 54  and name HN ) 6.2800  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 56  and name N )
       ( resid 56  and name HN ) -0.0700  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 57  and name N )
       ( resid 57  and name HN ) 2.5500  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 58  and name N )
       ( resid 58  and name HN ) 5.3800  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 60  and name N )
       ( resid 60  and name HN ) 6.9800  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 62  and name N )
       ( resid 62  and name HN ) -9.8200  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 63  and name N )
       ( resid 63  and name HN ) -1.0300  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 64  and name N )
       ( resid 64  and name HN ) -4.8400  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 65  and name N )
       ( resid 65  and name HN ) 4.0500  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 66  and name N )
       ( resid 66  and name HN ) 8.3600  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 67  and name N )
       ( resid 67  and name HN ) -1.2500  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 68  and name N )
       ( resid 68  and name HN ) 3.6300  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 69  and name N )
       ( resid 69  and name HN ) 7.9100  2.0000 

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 70  and name N )
       ( resid 70  and name HN ) 3.7500  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 72  and name N )
       ( resid 72  and name HN ) 8.7800  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 73  and name N )
       ( resid 73  and name HN ) 6.3900  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 74  and name N )
       ( resid 74  and name HN ) -17.8200  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 75  and name N )
       ( resid 75  and name HN ) 7.6000  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 76  and name N )
       ( resid 76  and name HN ) 8.2800  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 77  and name N )
       ( resid 77  and name HN ) 9.5800  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 78  and name N )
       ( resid 78  and name HN ) 13.1400  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 81  and name N )
       ( resid 81  and name HN ) 6.5800  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 82  and name N )
       ( resid 82  and name HN ) 8.5000  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 83  and name N )
       ( resid 83  and name HN ) 6.5800  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 88  and name N )
       ( resid 88  and name HN ) -10.2000  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 89  and name N )
       ( resid 89  and name HN ) -6.9300  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 90  and name N )
       ( resid 90  and name HN ) -22.2600  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 91  and name N )
       ( resid 91  and name HN ) 3.0800  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 93  and name N )
       ( resid 93  and name HN ) 5.1500  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 94  and name N )
       ( resid 94  and name HN ) -4.6300  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 95  and name N )
       ( resid 95  and name HN ) 4.5300  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 96  and name N )
       ( resid 96  and name HN ) -22.1700  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 97  and name N )
       ( resid 97  and name HN ) 7.1100  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 98  and name N )
       ( resid 98  and name HN ) -10.7000  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 99  and name N )
       ( resid 99  and name HN ) 2.8600  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 100 and name N )
       ( resid 100 and name HN ) 2.3500  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 101 and name N )
       ( resid 101 and name HN ) 13.7300  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 103 and name N )
       ( resid 103 and name HN ) -6.8100  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 105 and name N )
       ( resid 105 and name HN ) -15.8000  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 106 and name N )
       ( resid 106 and name HN ) 8.8400  2.0000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 106 and name NE1 )
       ( resid 106 and name HE1 ) 10.94  2.0000

!! RDC constraints - Phage

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 2   and name N )
       ( resid 2   and name HN ) 4.7500  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 3   and name N )
       ( resid 3   and name HN ) 2.0500  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 4   and name N )
       ( resid 4   and name HN ) 1.1000  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 5   and name N )
       ( resid 5   and name HN ) 2.9800  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 6   and name N )
       ( resid 6   and name HN ) -0.1700  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 7   and name N )
       ( resid 7   and name HN ) 3.1900  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 8   and name N )
       ( resid 8   and name HN ) -6.9200  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 9   and name N )
       ( resid 9   and name HN ) -10.0300  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 10  and name N )
       ( resid 10  and name HN ) -8.4300  1.5000 

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 11  and name N )
       ( resid 11  and name HN ) 8.5900  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 12  and name N )
       ( resid 12  and name HN ) -4.6900  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 13  and name N )
       ( resid 13  and name HN ) 0.7400  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 14  and name N )
       ( resid 14  and name HN ) 0.3100  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 15  and name N )
       ( resid 15  and name HN ) 1.2300  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 16  and name N )
       ( resid 16  and name HN ) 1.2800  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 17  and name N )
       ( resid 17  and name HN ) -3.1200  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 18  and name N )
       ( resid 18  and name HN ) 4.0400  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 19  and name N )
       ( resid 19  and name HN ) 9.1800  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 20  and name N )
       ( resid 20  and name HN ) -7.7100  1.5000 

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 21  and name N )
       ( resid 21  and name HN ) -1.1300  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 22  and name N )
       ( resid 22  and name HN ) -6.6600  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 23  and name N )
       ( resid 23  and name HN ) 0.6900  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 26  and name N )
       ( resid 26  and name HN ) 1.3700  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 27  and name N )
       ( resid 27  and name HN ) 0.5800  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 28  and name N )
       ( resid 28  and name HN ) -0.4800  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 29  and name N )
       ( resid 29  and name HN ) 2.8700  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 30  and name N )
       ( resid 30  and name HN ) 3.9400  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 31  and name N )
       ( resid 31  and name HN ) -11.0700  1.5000 

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 33  and name N )
       ( resid 33  and name HN ) -0.5500  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 34  and name N )
       ( resid 34  and name HN ) 2.3300  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 35  and name N )
       ( resid 35  and name HN ) 4.9700  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 50  and name N )
       ( resid 50  and name HN ) -1.8800  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 51  and name N )
       ( resid 51  and name HN ) -0.4800  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 52  and name N )
       ( resid 52  and name HN ) 2.9300  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 53  and name N )
       ( resid 53  and name HN ) 0.1100  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 54  and name N )
       ( resid 54  and name HN ) -1.2300  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 55  and name N )
       ( resid 55  and name HN ) 1.6600  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 56  and name N )
       ( resid 56  and name HN ) 8.9300  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 57  and name N )
       ( resid 57  and name HN ) -12.9500  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 58  and name N )
       ( resid 58  and name HN ) -7.6100  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 60  and name N )
       ( resid 60  and name HN ) -6.2400  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 62  and name N )
       ( resid 62  and name HN )  7.0700  1.5000 

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 63  and name N )
       ( resid 63  and name HN ) -10.8400  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 64  and name N )
       ( resid 64  and name HN ) 1.1700  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 65  and name N )
       ( resid 65  and name HN ) 0.1800  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 66  and name N )
       ( resid 66  and name HN ) 6.3100  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 67  and name N )
       ( resid 67  and name HN ) 7.6300  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 68  and name N )
       ( resid 68  and name HN ) 1.3600  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 69  and name N )
       ( resid 69  and name HN ) -2.2500  1.5000 

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 70  and name N )
       ( resid 70  and name HN ) 7.8900   1.5000 

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 72  and name N )
       ( resid 72  and name HN ) -7.4100  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 73  and name N )
       ( resid 73  and name HN ) 5.6100  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 74  and name N )
       ( resid 74  and name HN ) 4.7000  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 75  and name N )
       ( resid 75  and name HN ) 2.1700  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 76  and name N )
       ( resid 76  and name HN ) -0.5200  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 77  and name N )
       ( resid 77  and name HN ) -6.0100  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 78  and name N )
       ( resid 78  and name HN ) 9.1700  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 81  and name N )
       ( resid 81  and name HN ) -7.0600  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 82  and name N )
       ( resid 82  and name HN ) 3.0900  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 83  and name N )
       ( resid 83  and name HN ) -2.4800  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 88  and name N )
       ( resid 88  and name HN ) 6.2800  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 89  and name N )
       ( resid 89  and name HN ) 1.4400  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 90  and name N )
       ( resid 90  and name HN ) 2.1200  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 91  and name N )
       ( resid 91  and name HN ) -9.4600  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 93  and name N )
       ( resid 93  and name HN ) -12.0800  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 94  and name N )
       ( resid 94  and name HN ) -9.6800  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 95  and name N )
       ( resid 95  and name HN ) 4.0700  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 96  and name N )
       ( resid 96  and name HN ) -3.8800  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 97  and name N )
       ( resid 97  and name HN ) -6.0400  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 98  and name N )
       ( resid 98  and name HN ) 1.8800  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 99  and name N )
       ( resid 99  and name HN ) 2.9700  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 100 and name N )
       ( resid 100 and name HN ) 1.3600  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 101 and name N )
       ( resid 101 and name HN ) -1.7600  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 103 and name N )
       ( resid 103 and name HN ) -1.9400  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 104 and name N )
       ( resid 104 and name HN ) 1.8000  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 105 and name N )
       ( resid 105 and name HN ) 1.7900  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 106 and name N )
       ( resid 106 and name HN ) -3.8800  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 106 and name NE1 )
       ( resid 106 and name HE1 ) 3.0400  1.5000

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    SER   1          1HT       SER   1  11.062  -8.172   2.908
    2   2H    SER   1          2HT       SER   1  11.656  -9.744   3.160
    3   3H    SER   1          3HT       SER   1  10.734  -8.978   4.364
    4    HA   SER   1           HA       SER   1   9.595 -10.730   2.896
    5   1HB   SER   1          2HB       SER   1   7.507  -9.285   2.868
    6   2HB   SER   1          1HB       SER   1   8.319  -9.385   4.419
    7    HG   SER   1           HG       SER   1   8.178  -7.272   2.591
    8    H    LYS   2           H        LYS   2   8.676 -11.078   0.793
    9    HA   LYS   2           HA       LYS   2   9.849  -9.432  -1.328
   10   1HB   LYS   2          2HB       LYS   2   8.392 -12.028  -1.070
   11   2HB   LYS   2          1HB       LYS   2   8.126 -11.164  -2.578
   12   1HG   LYS   2          2HG       LYS   2  10.942 -11.518  -1.558
   13   2HG   LYS   2          1HG       LYS   2  10.146 -12.873  -2.349
   14   1HD   LYS   2          2HD       LYS   2  10.094 -10.171  -3.688
   15   2HD   LYS   2          1HD       LYS   2  11.561 -11.142  -3.775
   16   1HE   LYS   2          2HE       LYS   2   8.843 -12.256  -4.505
   17   2HE   LYS   2          1HE       LYS   2   9.896 -11.471  -5.681
   18   1HZ   LYS   2          1HZ       LYS   2  10.499 -13.669  -5.868
   19   2HZ   LYS   2          2HZ       LYS   2  10.312 -13.982  -4.207
   20   3HZ   LYS   2          3HZ       LYS   2  11.652 -13.097  -4.764
   21    H    VAL   3           H        VAL   3   8.773  -7.573  -1.976
   22    HA   VAL   3           HA       VAL   3   5.804  -7.495  -1.612
   23    HB   VAL   3           HB       VAL   3   8.040  -5.593  -1.070
   24   1HG1  VAL   3          1HG1      VAL   3   5.312  -4.736  -2.036
   25   2HG1  VAL   3          2HG1      VAL   3   6.893  -4.253  -2.657
   26   3HG1  VAL   3          3HG1      VAL   3   6.363  -3.687  -1.073
   27   1HG2  VAL   3          1HG2      VAL   3   6.871  -6.773   0.748
   28   2HG2  VAL   3          2HG2      VAL   3   5.358  -6.050   0.215
   29   3HG2  VAL   3          3HG2      VAL   3   6.629  -5.031   0.857
   30    H    VAL   4           H        VAL   4   4.713  -7.337  -3.476
   31    HA   VAL   4           HA       VAL   4   6.197  -6.339  -5.890
   32    HB   VAL   4           HB       VAL   4   3.848  -8.191  -5.699
   33   1HG1  VAL   4          1HG1      VAL   4   5.263  -6.937  -8.041
   34   2HG1  VAL   4          2HG1      VAL   4   3.540  -6.885  -7.671
   35   3HG1  VAL   4          3HG1      VAL   4   4.281  -8.393  -8.208
   36   1HG2  VAL   4          1HG2      VAL   4   6.750  -8.561  -6.417
   37   2HG2  VAL   4          2HG2      VAL   4   5.512  -9.749  -6.831
   38   3HG2  VAL   4          3HG2      VAL   4   5.848  -9.371  -5.137
   39    H    TYR   5           H        TYR   5   5.522  -4.599  -6.779
   40    HA   TYR   5           HA       TYR   5   2.955  -3.309  -5.955
   41   1HB   TYR   5          2HB       TYR   5   5.587  -2.189  -6.929
   42   2HB   TYR   5          1HB       TYR   5   4.111  -1.228  -6.952
   43    HD1  TYR   5           1HD      TYR   5   6.791  -2.577  -4.911
   44    HD2  TYR   5           2HD      TYR   5   2.880  -0.807  -4.780
   45    HE1  TYR   5           1HE      TYR   5   7.119  -2.011  -2.517
   46    HE2  TYR   5           2HE      TYR   5   3.221  -0.237  -2.392
   47    HH   TYR   5           HH       TYR   5   6.336  -0.664  -0.822
   48    H    VAL   6           H        VAL   6   1.405  -3.480  -7.528
   49    HA   VAL   6           HA       VAL   6   2.296  -3.867 -10.361
   50    HB   VAL   6           HB       VAL   6  -0.551  -4.165  -9.408
   51   1HG1  VAL   6          1HG1      VAL   6  -0.690  -5.674 -11.318
   52   2HG1  VAL   6          2HG1      VAL   6   1.041  -5.492 -11.615
   53   3HG1  VAL   6          3HG1      VAL   6  -0.043  -4.117 -11.838
   54   1HG2  VAL   6          1HG2      VAL   6   1.677  -6.216  -9.293
   55   2HG2  VAL   6          2HG2      VAL   6  -0.037  -6.595  -9.109
   56   3HG2  VAL   6          3HG2      VAL   6   0.774  -5.577  -7.918
   57    H    SER   7           H        SER   7   2.502  -1.967 -11.304
   58    HA   SER   7           HA       SER   7   1.130   0.413 -10.419
   59   1HB   SER   7          2HB       SER   7   2.208   1.480 -12.380
   60   2HB   SER   7          1HB       SER   7   3.358   0.532 -11.439
   61    HG   SER   7           HG       SER   7   3.240   0.264 -13.855
   62    H    HIS   8           H        HIS   8   0.220   1.767 -12.423
   63    HA   HIS   8           HA       HIS   8  -2.259   0.389 -13.148
   64   1HB   HIS   8          2HB       HIS   8  -2.179   2.910 -14.488
   65   2HB   HIS   8          1HB       HIS   8  -3.037   2.523 -13.002
   66    HD1  HIS   8           1HD      HIS   8  -0.782   2.264 -10.981
   67    HD2  HIS   8           2HD      HIS   8  -0.863   5.254 -13.895
   68    HE1  HIS   8           1HE      HIS   8   0.663   4.156 -10.116
   69    HE2  HIS   8           2HE      HIS   8   0.624   5.977 -11.880
   70    H    ASP   9           H        ASP   9   0.520   1.758 -14.902
   71    HA   ASP   9           HA       ASP   9  -0.438   1.023 -17.502
   72   1HB   ASP   9          2HB       ASP   9   1.973   1.243 -18.186
   73   2HB   ASP   9          1HB       ASP   9   1.349   2.644 -17.320
   74    H    GLY  10           H        GLY  10   0.434  -0.972 -14.941
   75   1HA   GLY  10          2HA       GLY  10   0.289  -3.373 -15.120
   76   2HA   GLY  10          1HA       GLY  10   0.796  -3.267 -16.803
   77    H    THR  11           H        THR  11   2.909  -1.231 -15.546
   78    HA   THR  11           HA       THR  11   5.037  -3.147 -15.555
   79    HB   THR  11           HB       THR  11   4.851  -0.365 -15.728
   80    HG1  THR  11           1HG      THR  11   7.366  -1.413 -15.404
   81   1HG2  THR  11          1HG2      THR  11   6.468   0.510 -14.123
   82   2HG2  THR  11          2HG2      THR  11   6.615  -1.072 -13.363
   83   3HG2  THR  11          3HG2      THR  11   5.099  -0.178 -13.255
   84    H    ARG  12           H        ARG  12   5.767  -4.387 -13.984
   85    HA   ARG  12           HA       ARG  12   4.690  -4.012 -11.212
   86   1HB   ARG  12          2HB       ARG  12   6.156  -6.484 -12.111
   87   2HB   ARG  12          1HB       ARG  12   4.890  -6.316 -10.890
   88   1HG   ARG  12          2HG       ARG  12   3.364  -5.601 -12.884
   89   2HG   ARG  12          1HG       ARG  12   4.619  -6.302 -13.900
   90   1HD   ARG  12          2HD       ARG  12   4.126  -8.261 -11.896
   91   2HD   ARG  12          1HD       ARG  12   2.541  -7.680 -12.409
   92    HE   ARG  12           HE       ARG  12   4.313  -9.299 -13.990
   93   1HH1  ARG  12          1HH2      ARG  12   2.123  -6.660 -14.053
   94   2HH1  ARG  12          2HH2      ARG  12   1.675  -6.884 -15.715
   95   1HH2  ARG  12          1HH1      ARG  12   3.750  -9.638 -16.145
   96   2HH2  ARG  12          2HH1      ARG  12   2.594  -8.596 -16.912
   97    H    ARG  13           H        ARG  13   6.032  -3.625  -9.499
   98    HA   ARG  13           HA       ARG  13   8.996  -3.698  -9.930
   99   1HB   ARG  13          2HB       ARG  13   7.778  -1.394  -9.857
  100   2HB   ARG  13          1HB       ARG  13   7.575  -1.724  -8.156
  101   1HG   ARG  13          2HG       ARG  13   9.602  -0.616  -8.056
  102   2HG   ARG  13          1HG       ARG  13  10.177  -2.261  -8.261
  103   1HD   ARG  13          2HD       ARG  13  11.243  -1.653 -10.186
  104   2HD   ARG  13          1HD       ARG  13   9.728  -1.095 -10.892
  105    HE   ARG  13           HE       ARG  13  11.791   0.608  -9.922
  106   1HH1  ARG  13          1HH2      ARG  13   8.398   0.119  -9.800
  107   2HH1  ARG  13          2HH2      ARG  13   8.012   1.774  -9.493
  108   1HH2  ARG  13          1HH1      ARG  13  11.325   2.812  -9.513
  109   2HH2  ARG  13          2HH1      ARG  13   9.673   3.310  -9.340
  110    H    GLU  14           H        GLU  14   9.821  -5.142  -8.488
  111    HA   GLU  14           HA       GLU  14   8.264  -5.751  -6.034
  112   1HB   GLU  14          2HB       GLU  14  10.556  -7.417  -7.047
  113   2HB   GLU  14          1HB       GLU  14   9.173  -7.907  -6.066
  114   1HG   GLU  14          2HG       GLU  14   7.742  -7.257  -8.135
  115   2HG   GLU  14          1HG       GLU  14   9.263  -7.303  -9.028
  116    H    LEU  15           H        LEU  15   9.128  -5.200  -4.025
  117    HA   LEU  15           HA       LEU  15  12.061  -4.538  -3.903
  118   1HB   LEU  15          2HB       LEU  15  10.430  -3.216  -1.819
  119   2HB   LEU  15          1HB       LEU  15  11.687  -2.544  -2.840
  120    HG   LEU  15           HG       LEU  15   8.851  -3.044  -3.638
  121   1HD1  LEU  15          1HD1      LEU  15   8.664  -0.569  -3.452
  122   2HD1  LEU  15          2HD1      LEU  15  10.344  -0.490  -2.937
  123   3HD1  LEU  15          3HD1      LEU  15   9.160  -1.271  -1.910
  124   1HD2  LEU  15          1HD2      LEU  15  11.029  -2.842  -5.339
  125   2HD2  LEU  15          2HD2      LEU  15  10.591  -1.149  -5.169
  126   3HD2  LEU  15          3HD2      LEU  15   9.408  -2.314  -5.772
  127    H    ASP  16           H        ASP  16  12.791  -4.536  -1.619
  128    HA   ASP  16           HA       ASP  16  11.642  -6.865  -0.116
  129   1HB   ASP  16          2HB       ASP  16  14.101  -6.932  -0.932
  130   2HB   ASP  16          1HB       ASP  16  14.407  -5.655   0.242
  131    H    VAL  17           H        VAL  17  10.438  -6.121   1.627
  132    HA   VAL  17           HA       VAL  17  11.196  -3.490   2.872
  133    HB   VAL  17           HB       VAL  17   8.466  -4.852   2.994
  134   1HG1  VAL  17          1HG1      VAL  17   8.298  -3.198   4.568
  135   2HG1  VAL  17          2HG1      VAL  17   7.971  -2.198   3.159
  136   3HG1  VAL  17          3HG1      VAL  17   9.584  -2.218   3.857
  137   1HG2  VAL  17          1HG2      VAL  17   8.884  -4.502   0.669
  138   2HG2  VAL  17          2HG2      VAL  17   9.629  -2.940   0.949
  139   3HG2  VAL  17          3HG2      VAL  17   7.894  -3.139   1.180
  140    H    ALA  18           H        ALA  18  12.114  -3.753   4.794
  141    HA   ALA  18           HA       ALA  18  12.293  -6.339   6.063
  142   1HB   ALA  18          1HB       ALA  18  12.980  -3.750   7.444
  143   2HB   ALA  18          2HB       ALA  18  13.984  -4.387   6.137
  144   3HB   ALA  18          3HB       ALA  18  13.743  -5.329   7.611
  145    H    ASP  19           H        ASP  19  11.811  -6.625   8.395
  146    HA   ASP  19           HA       ASP  19   9.010  -6.409   8.899
  147   1HB   ASP  19          2HB       ASP  19   9.708  -7.100  11.252
  148   2HB   ASP  19          1HB       ASP  19  10.218  -8.184   9.961
  149    H    GLY  20           H        GLY  20   7.879  -5.041  10.015
  150   1HA   GLY  20          2HA       GLY  20   7.377  -3.193  11.468
  151   2HA   GLY  20          1HA       GLY  20   9.096  -2.969  11.709
  152    H    VAL  21           H        VAL  21   8.862  -3.096   8.371
  153    HA   VAL  21           HA       VAL  21   8.896  -0.145   8.266
  154    HB   VAL  21           HB       VAL  21   9.443  -2.200   6.125
  155   1HG1  VAL  21          1HG1      VAL  21   8.895  -0.092   5.155
  156   2HG1  VAL  21          2HG1      VAL  21  10.643  -0.302   5.046
  157   3HG1  VAL  21          3HG1      VAL  21   9.956   0.752   6.281
  158   1HG2  VAL  21          1HG2      VAL  21  11.497  -0.645   7.684
  159   2HG2  VAL  21          2HG2      VAL  21  11.765  -1.977   6.552
  160   3HG2  VAL  21          3HG2      VAL  21  11.008  -2.285   8.120
  161    H    SER  22           H        SER  22   7.464   1.012   6.914
  162    HA   SER  22           HA       SER  22   4.941  -0.409   6.294
  163   1HB   SER  22          2HB       SER  22   4.196   1.981   5.697
  164   2HB   SER  22          1HB       SER  22   4.582   1.672   7.390
  165    HG   SER  22           HG       SER  22   6.714   2.477   6.894
  166    H    LEU  23           H        LEU  23   4.134  -0.634   4.187
  167    HA   LEU  23           HA       LEU  23   5.901  -0.966   2.026
  168   1HB   LEU  23          2HB       LEU  23   2.952  -0.334   2.162
  169   2HB   LEU  23          1HB       LEU  23   3.750  -0.548   0.616
  170    HG   LEU  23           HG       LEU  23   3.953  -2.627   2.804
  171   1HD1  LEU  23          1HD1      LEU  23   2.105  -3.812   1.642
  172   2HD1  LEU  23          2HD1      LEU  23   1.889  -2.412   0.589
  173   3HD1  LEU  23          3HD1      LEU  23   1.570  -2.274   2.324
  174   1HD2  LEU  23          1HD2      LEU  23   4.261  -4.107   0.771
  175   2HD2  LEU  23          2HD2      LEU  23   5.561  -2.955   1.019
  176   3HD2  LEU  23          3HD2      LEU  23   4.333  -2.652  -0.202
  177    H    MET  24           H        MET  24   4.547   1.895   3.368
  178    HA   MET  24           HA       MET  24   4.968   3.623   1.080
  179   1HB   MET  24          2HB       MET  24   3.425   4.567   2.527
  180   2HB   MET  24          1HB       MET  24   4.194   3.876   3.947
  181   1HG   MET  24          2HG       MET  24   5.926   5.594   3.912
  182   2HG   MET  24          1HG       MET  24   5.315   6.225   2.379
  183   1HE   MET  24          1HE       MET  24   4.133   5.176   5.962
  184   2HE   MET  24          2HE       MET  24   3.756   6.770   6.610
  185   3HE   MET  24          3HE       MET  24   5.387   6.420   6.048
  186    H    GLN  25           H        GLN  25   6.805   2.822   4.014
  187    HA   GLN  25           HA       GLN  25   8.926   4.678   3.615
  188   1HB   GLN  25          2HB       GLN  25   8.494   2.206   5.202
  189   2HB   GLN  25          1HB       GLN  25  10.184   2.579   4.872
  190   1HG   GLN  25          2HG       GLN  25   8.269   4.650   5.961
  191   2HG   GLN  25          1HG       GLN  25   9.188   3.575   7.019
  192   1HE2  GLN  25          1HE2      GLN  25  11.686   3.531   6.381
  193   2HE2  GLN  25          2HE2      GLN  25  12.373   5.045   6.041
  194    H    ALA  26           H        ALA  26   8.816   1.163   2.694
  195    HA   ALA  26           HA       ALA  26  11.292   1.304   1.248
  196   1HB   ALA  26          1HB       ALA  26  10.404  -0.783   0.111
  197   2HB   ALA  26          2HB       ALA  26   8.922  -0.560   1.037
  198   3HB   ALA  26          3HB       ALA  26  10.451  -0.845   1.870
  199    H    ALA  27           H        ALA  27   8.015   2.208   0.258
  200    HA   ALA  27           HA       ALA  27   8.493   2.127  -2.560
  201   1HB   ALA  27          1HB       ALA  27   6.627   3.950  -2.516
  202   2HB   ALA  27          2HB       ALA  27   6.562   3.610  -0.781
  203   3HB   ALA  27          3HB       ALA  27   6.232   2.327  -1.945
  204    H    VAL  28           H        VAL  28   8.705   4.853  -0.232
  205    HA   VAL  28           HA       VAL  28   9.566   6.837  -2.045
  206    HB   VAL  28           HB       VAL  28  10.104   6.408   0.894
  207   1HG1  VAL  28          1HG1      VAL  28  11.062   8.648  -0.896
  208   2HG1  VAL  28          2HG1      VAL  28  12.009   7.679   0.232
  209   3HG1  VAL  28          3HG1      VAL  28  10.854   8.863   0.838
  210   1HG2  VAL  28          1HG2      VAL  28   8.466   8.464  -0.606
  211   2HG2  VAL  28          2HG2      VAL  28   8.544   8.277   1.140
  212   3HG2  VAL  28          3HG2      VAL  28   7.808   7.016   0.152
  213    H    SER  29           H        SER  29  11.248   4.062  -0.864
  214    HA   SER  29           HA       SER  29  13.915   5.159  -1.456
  215   1HB   SER  29          2HB       SER  29  14.444   3.637   0.144
  216   2HB   SER  29          1HB       SER  29  12.782   3.073   0.118
  217    HG   SER  29           HG       SER  29  15.041   2.047  -1.111
  218    H    ASN  30           H        ASN  30  11.497   3.186  -3.010
  219    HA   ASN  30           HA       ASN  30  13.467   2.390  -5.123
  220   1HB   ASN  30          2HB       ASN  30  10.770   1.302  -4.324
  221   2HB   ASN  30          1HB       ASN  30  11.597   0.839  -5.803
  222   1HD2  ASN  30          1HD2      ASN  30  12.314   1.119  -2.279
  223   2HD2  ASN  30          2HD2      ASN  30  13.285  -0.273  -2.214
  224    H    GLY  31           H        GLY  31  11.744   5.021  -4.581
  225   1HA   GLY  31          2HA       GLY  31  10.882   6.606  -6.080
  226   2HA   GLY  31          1HA       GLY  31  11.416   5.561  -7.385
  227    H    ILE  32           H        ILE  32   9.082   4.559  -4.916
  228    HA   ILE  32           HA       ILE  32   7.044   4.299  -7.096
  229    HB   ILE  32           HB       ILE  32   7.196   2.841  -4.455
  230   1HG1  ILE  32          2HG1      ILE  32   8.212   2.180  -7.221
  231   2HG1  ILE  32          1HG1      ILE  32   9.100   2.155  -5.701
  232   1HG2  ILE  32          1HG2      ILE  32   5.637   2.087  -6.934
  233   2HG2  ILE  32          2HG2      ILE  32   4.929   3.065  -5.651
  234   3HG2  ILE  32          3HG2      ILE  32   5.475   1.426  -5.305
  235   1HD1  ILE  32          1HD1      ILE  32   8.698  -0.107  -5.969
  236   2HD1  ILE  32          2HD1      ILE  32   7.172   0.153  -6.812
  237   3HD1  ILE  32          3HD1      ILE  32   7.261   0.337  -5.058
  238    H    TYR  33           H        TYR  33   7.564   5.611  -3.891
  239    HA   TYR  33           HA       TYR  33   4.804   6.139  -3.418
  240   1HB   TYR  33          2HB       TYR  33   7.076   6.204  -1.903
  241   2HB   TYR  33          1HB       TYR  33   6.749   7.924  -2.072
  242    HD1  TYR  33           1HD      TYR  33   5.509   8.823  -0.297
  243    HD2  TYR  33           2HD      TYR  33   4.700   4.795  -1.579
  244    HE1  TYR  33           1HE      TYR  33   3.733   8.633   1.416
  245    HE2  TYR  33           2HE      TYR  33   2.924   4.612   0.137
  246    HH   TYR  33           HH       TYR  33   2.172   7.344   2.306
  247    H    ASP  34           H        ASP  34   6.493   7.582  -5.879
  248    HA   ASP  34           HA       ASP  34   6.116  10.336  -5.608
  249   1HB   ASP  34          2HB       ASP  34   5.788  10.323  -8.134
  250   2HB   ASP  34          1HB       ASP  34   7.248   9.533  -7.539
  251    H    ILE  35           H        ILE  35   3.930   9.184  -4.397
  252    HA   ILE  35           HA       ILE  35   1.536   9.919  -6.030
  253    HB   ILE  35           HB       ILE  35   0.208   8.718  -4.451
  254   1HG1  ILE  35          2HG1      ILE  35   2.669   8.892  -2.694
  255   2HG1  ILE  35          1HG1      ILE  35   1.044   9.464  -2.343
  256   1HG2  ILE  35          1HG2      ILE  35   1.765   7.416  -6.015
  257   2HG2  ILE  35          2HG2      ILE  35   1.136   6.526  -4.625
  258   3HG2  ILE  35          3HG2      ILE  35   2.787   7.143  -4.602
  259   1HD1  ILE  35          1HD1      ILE  35   0.524   6.821  -2.713
  260   2HD1  ILE  35          2HD1      ILE  35   0.933   7.511  -1.146
  261   3HD1  ILE  35          3HD1      ILE  35   2.179   6.726  -2.115
  262    H    VAL  36           H        VAL  36   3.649  11.587  -4.344
  263    HA   VAL  36           HA       VAL  36   3.592  13.579  -3.108
  264    HB   VAL  36           HB       VAL  36   0.757  13.827  -4.133
  265   1HG1  VAL  36          1HG1      VAL  36   1.556  15.513  -2.500
  266   2HG1  VAL  36          2HG1      VAL  36   1.287  16.225  -4.085
  267   3HG1  VAL  36          3HG1      VAL  36   2.927  15.866  -3.552
  268   1HG2  VAL  36          1HG2      VAL  36   1.841  14.952  -6.113
  269   2HG2  VAL  36          2HG2      VAL  36   2.136  13.215  -6.040
  270   3HG2  VAL  36          3HG2      VAL  36   3.395  14.347  -5.543
  271    H    GLY  37           H        GLY  37   3.374  11.726  -1.322
  272   1HA   GLY  37          2HA       GLY  37   1.006  11.205   0.062
  273   2HA   GLY  37          1HA       GLY  37   2.578  11.342   0.849
  274    H    ASP  38           H        ASP  38  -0.489  12.712   0.633
  275    HA   ASP  38           HA       ASP  38   0.141  15.481   1.097
  276   1HB   ASP  38          2HB       ASP  38  -2.102  14.540   0.371
  277   2HB   ASP  38          1HB       ASP  38  -2.339  14.025   2.039
  278    H    CYS  39           H        CYS  39  -1.181  13.105   3.463
  279    HA   CYS  39           HA       CYS  39  -0.447  14.721   5.712
  280   1HB   CYS  39          2HB       CYS  39  -1.058  12.873   7.090
  281   2HB   CYS  39          1HB       CYS  39  -2.156  12.837   5.714
  282    H    GLY  40           H        GLY  40   1.528  13.168   3.564
  283   1HA   GLY  40          2HA       GLY  40   3.857  12.856   3.608
  284   2HA   GLY  40          1HA       GLY  40   3.864  13.578   5.209
  285    H    GLY  41           H        GLY  41   1.683  10.963   4.902
  286   1HA   GLY  41          2HA       GLY  41   2.044   8.609   5.308
  287   2HA   GLY  41          1HA       GLY  41   3.701   8.963   5.790
  288    H    SER  42           H        SER  42   1.212  11.004   7.054
  289    HA   SER  42           HA       SER  42   1.658   9.829   9.763
  290   1HB   SER  42          2HB       SER  42   1.931  12.337   9.284
  291   2HB   SER  42          1HB       SER  42   0.181  12.386   9.088
  292    HG   SER  42           HG       SER  42   0.391  11.139  11.264
  293    H    ALA  43           H        ALA  43  -0.198   8.986   7.401
  294    HA   ALA  43           HA       ALA  43  -2.353   8.114   7.165
  295   1HB   ALA  43          1HB       ALA  43  -3.117   6.821   8.973
  296   2HB   ALA  43          2HB       ALA  43  -2.453   7.935  10.175
  297   3HB   ALA  43          3HB       ALA  43  -1.375   6.897   9.244
  298    H    SER  44           H        SER  44  -2.737  10.586   6.693
  299    HA   SER  44           HA       SER  44  -5.124  11.360   8.270
  300   1HB   SER  44          2HB       SER  44  -2.837  12.527   9.036
  301   2HB   SER  44          1HB       SER  44  -3.200  13.579   7.672
  302    HG   SER  44           HG       SER  44  -5.056  14.189   8.622
  303    H    CYS  45           H        CYS  45  -4.214  10.458   5.453
  304    HA   CYS  45           HA       CYS  45  -6.001  12.326   4.018
  305   1HB   CYS  45          2HB       CYS  45  -4.476  12.968   2.358
  306   2HB   CYS  45          1HB       CYS  45  -3.494  13.041   3.819
  307    H    ALA  46           H        ALA  46  -5.758  11.345   1.484
  308    HA   ALA  46           HA       ALA  46  -6.078   8.374   1.724
  309   1HB   ALA  46          1HB       ALA  46  -8.148   8.403   0.613
  310   2HB   ALA  46          2HB       ALA  46  -7.895  10.024  -0.028
  311   3HB   ALA  46          3HB       ALA  46  -8.270   9.803   1.673
  312    H    THR  47           H        THR  47  -3.997  10.304   0.651
  313    HA   THR  47           HA       THR  47  -4.054  10.034  -2.236
  314    HB   THR  47           HB       THR  47  -1.581  10.563  -0.578
  315    HG1  THR  47           1HG      THR  47  -3.444  12.542  -1.318
  316   1HG2  THR  47          1HG2      THR  47  -1.284  10.427  -2.989
  317   2HG2  THR  47          2HG2      THR  47  -1.116  12.106  -2.474
  318   3HG2  THR  47          3HG2      THR  47  -2.605  11.567  -3.246
  319    H    CYS  48           H        CYS  48  -2.973   8.060   0.400
  320    HA   CYS  48           HA       CYS  48  -1.240   6.391  -1.293
  321   1HB   CYS  48          2HB       CYS  48  -1.047   5.025   0.832
  322   2HB   CYS  48          1HB       CYS  48  -0.480   6.692   0.945
  323    H    HIS  49           H        HIS  49  -3.992   6.564  -2.090
  324    HA   HIS  49           HA       HIS  49  -5.534   4.276  -1.257
  325   1HB   HIS  49          2HB       HIS  49  -6.632   6.127  -2.339
  326   2HB   HIS  49          1HB       HIS  49  -5.528   6.075  -3.683
  327    HD1  HIS  49           1HD      HIS  49  -7.969   3.498  -2.153
  328    HD2  HIS  49           2HD      HIS  49  -6.808   5.067  -5.815
  329    HE1  HIS  49           1HE      HIS  49  -9.373   2.328  -3.950
  330    HE2  HIS  49           2HE      HIS  49  -8.623   3.257  -6.162
  331    H    VAL  50           H        VAL  50  -4.684   2.189  -1.543
  332    HA   VAL  50           HA       VAL  50  -3.842   1.459  -4.314
  333    HB   VAL  50           HB       VAL  50  -1.795   0.534  -3.745
  334   1HG1  VAL  50          1HG1      VAL  50  -0.547   2.075  -2.470
  335   2HG1  VAL  50          2HG1      VAL  50  -1.909   2.441  -1.420
  336   3HG1  VAL  50          3HG1      VAL  50  -1.902   3.021  -3.083
  337   1HG2  VAL  50          1HG2      VAL  50  -2.960   0.110  -0.992
  338   2HG2  VAL  50          2HG2      VAL  50  -1.237  -0.097  -1.306
  339   3HG2  VAL  50          3HG2      VAL  50  -2.417  -1.104  -2.150
  340    H    TYR  51           H        TYR  51  -3.737  -1.081  -4.417
  341    HA   TYR  51           HA       TYR  51  -5.999  -2.167  -2.794
  342   1HB   TYR  51          2HB       TYR  51  -5.176  -2.596  -5.656
  343   2HB   TYR  51          1HB       TYR  51  -6.406  -3.542  -4.850
  344    HD1  TYR  51           1HD      TYR  51  -8.493  -2.286  -3.910
  345    HD2  TYR  51           2HD      TYR  51  -5.584  -0.446  -6.502
  346    HE1  TYR  51           1HE      TYR  51 -10.074  -0.456  -4.424
  347    HE2  TYR  51           2HE      TYR  51  -7.189   1.348  -6.985
  348    HH   TYR  51           HH       TYR  51 -10.490   1.215  -6.018
  349    H    VAL  52           H        VAL  52  -5.186  -3.507  -1.415
  350    HA   VAL  52           HA       VAL  52  -2.701  -5.054  -1.898
  351    HB   VAL  52           HB       VAL  52  -4.487  -4.913   0.544
  352   1HG1  VAL  52          1HG1      VAL  52  -2.024  -6.512  -0.088
  353   2HG1  VAL  52          2HG1      VAL  52  -3.493  -7.024   0.721
  354   3HG1  VAL  52          3HG1      VAL  52  -2.329  -6.006   1.572
  355   1HG2  VAL  52          1HG2      VAL  52  -2.859  -3.473   1.495
  356   2HG2  VAL  52          2HG2      VAL  52  -3.022  -2.883  -0.159
  357   3HG2  VAL  52          3HG2      VAL  52  -1.651  -3.898   0.284
  358    H    ASN  53           H        ASN  53  -2.733  -7.147  -2.536
  359    HA   ASN  53           HA       ASN  53  -5.046  -8.461  -3.436
  360   1HB   ASN  53          2HB       ASN  53  -2.995  -9.383  -4.116
  361   2HB   ASN  53          1HB       ASN  53  -2.396  -9.526  -2.461
  362   1HD2  ASN  53          1HD2      ASN  53  -2.020 -11.852  -3.373
  363   2HD2  ASN  53          2HD2      ASN  53  -3.296 -12.957  -3.184
  364    H    GLU  54           H        GLU  54  -6.789  -9.154  -2.343
  365    HA   GLU  54           HA       GLU  54  -7.279  -8.952   0.361
  366   1HB   GLU  54          2HB       GLU  54  -9.052 -10.718   0.012
  367   2HB   GLU  54          1HB       GLU  54  -9.087  -9.390  -1.148
  368   1HG   GLU  54          2HG       GLU  54  -7.887 -10.738  -2.786
  369   2HG   GLU  54          1HG       GLU  54  -7.715 -12.052  -1.622
  370    H    ALA  55           H        ALA  55  -4.947 -11.040  -0.836
  371    HA   ALA  55           HA       ALA  55  -5.438 -13.198   1.107
  372   1HB   ALA  55          1HB       ALA  55  -3.245 -14.074   0.183
  373   2HB   ALA  55          2HB       ALA  55  -3.254 -12.703  -0.924
  374   3HB   ALA  55          3HB       ALA  55  -4.544 -13.903  -0.996
  375    H    PHE  56           H        PHE  56  -3.735 -10.135   1.182
  376    HA   PHE  56           HA       PHE  56  -2.146 -11.073   3.540
  377   1HB   PHE  56          2HB       PHE  56  -1.648  -8.862   1.506
  378   2HB   PHE  56          1HB       PHE  56  -0.642  -9.164   2.923
  379    HD1  PHE  56           1HD      PHE  56  -2.025 -10.880  -0.116
  380    HD2  PHE  56           2HD      PHE  56   1.145 -10.691   2.758
  381    HE1  PHE  56           1HE      PHE  56  -0.808 -12.659  -1.332
  382    HE2  PHE  56           2HE      PHE  56   2.349 -12.477   1.576
  383    HZ   PHE  56           HZ       PHE  56   1.383 -13.462  -0.492
  384    H    THR  57           H        THR  57  -4.785  -9.321   2.486
  385    HA   THR  57           HA       THR  57  -4.695  -7.013   4.231
  386    HB   THR  57           HB       THR  57  -7.190  -6.967   3.816
  387    HG1  THR  57           1HG      THR  57  -7.405  -9.246   3.621
  388   1HG2  THR  57          1HG2      THR  57  -6.983  -6.287   1.566
  389   2HG2  THR  57          2HG2      THR  57  -5.708  -7.460   1.244
  390   3HG2  THR  57          3HG2      THR  57  -5.376  -6.052   2.242
  391    H    ASP  58           H        ASP  58  -6.095 -10.276   4.567
  392    HA   ASP  58           HA       ASP  58  -7.079  -9.616   7.270
  393   1HB   ASP  58          2HB       ASP  58  -8.123 -11.798   7.220
  394   2HB   ASP  58          1HB       ASP  58  -8.387 -11.055   5.638
  395    H    LYS  59           H        LYS  59  -4.168 -10.003   6.258
  396    HA   LYS  59           HA       LYS  59  -3.305 -11.854   8.457
  397   1HB   LYS  59          2HB       LYS  59  -1.739 -11.216   5.971
  398   2HB   LYS  59          1HB       LYS  59  -1.570 -12.607   7.037
  399   1HG   LYS  59          2HG       LYS  59  -4.089 -13.075   6.323
  400   2HG   LYS  59          1HG       LYS  59  -3.677 -12.055   4.942
  401   1HD   LYS  59          2HD       LYS  59  -3.295 -14.380   4.358
  402   2HD   LYS  59          1HD       LYS  59  -1.740 -13.570   4.469
  403   1HE   LYS  59          2HE       LYS  59  -1.066 -14.973   6.147
  404   2HE   LYS  59          1HE       LYS  59  -2.555 -14.710   7.060
  405   1HZ   LYS  59          1HZ       LYS  59  -2.122 -17.032   6.195
  406   2HZ   LYS  59          2HZ       LYS  59  -2.489 -16.424   4.650
  407   3HZ   LYS  59          3HZ       LYS  59  -3.654 -16.373   5.886
  408    H    VAL  60           H        VAL  60  -2.450  -9.012   6.528
  409    HA   VAL  60           HA       VAL  60  -0.416  -8.153   8.424
  410    HB   VAL  60           HB       VAL  60  -1.392  -7.350   5.836
  411   1HG1  VAL  60          1HG1      VAL  60  -2.490  -5.483   6.916
  412   2HG1  VAL  60          2HG1      VAL  60  -1.164  -4.958   5.890
  413   3HG1  VAL  60          3HG1      VAL  60  -0.957  -4.995   7.634
  414   1HG2  VAL  60          1HG2      VAL  60   0.901  -6.084   5.840
  415   2HG2  VAL  60          2HG2      VAL  60   0.877  -7.838   5.837
  416   3HG2  VAL  60          3HG2      VAL  60   1.171  -6.964   7.329
  417    HA   PRO  61           HA       PRO  61  -2.752  -6.438  11.691
  418   1HB   PRO  61          2HB       PRO  61  -1.779  -3.704  11.498
  419   2HB   PRO  61          1HB       PRO  61  -1.342  -4.955  12.675
  420   1HG   PRO  61          2HG       PRO  61   0.098  -4.079  10.281
  421   2HG   PRO  61          1HG       PRO  61   0.677  -5.045  11.652
  422   1HD   PRO  61          2HD       PRO  61   0.270  -6.061   9.139
  423   2HD   PRO  61          1HD       PRO  61   0.194  -7.051  10.580
  424    H    ALA  62           H        ALA  62  -4.891  -6.287  11.301
  425    HA   ALA  62           HA       ALA  62  -6.395  -5.242   9.362
  426   1HB   ALA  62          1HB       ALA  62  -8.188  -4.907  11.004
  427   2HB   ALA  62          2HB       ALA  62  -7.008  -4.931  12.309
  428   3HB   ALA  62          3HB       ALA  62  -7.296  -6.386  11.358
  429    H    ALA  63           H        ALA  63  -6.726  -3.400   8.505
  430    HA   ALA  63           HA       ALA  63  -5.364  -1.012   9.009
  431   1HB   ALA  63          1HB       ALA  63  -7.560  -0.001   7.844
  432   2HB   ALA  63          2HB       ALA  63  -7.885  -1.708   7.559
  433   3HB   ALA  63          3HB       ALA  63  -6.405  -0.980   6.938
  434    H    ASN  64           H        ASN  64  -5.793   0.818  10.184
  435    HA   ASN  64           HA       ASN  64  -7.520   0.467  12.548
  436   1HB   ASN  64          2HB       ASN  64  -6.615   2.908  13.004
  437   2HB   ASN  64          1HB       ASN  64  -5.544   1.523  13.166
  438   1HD2  ASN  64          1HD2      ASN  64  -3.580   1.805  12.110
  439   2HD2  ASN  64          2HD2      ASN  64  -3.343   2.755  10.727
  440    H    GLU  65           H        GLU  65  -9.103   2.036  13.202
  441    HA   GLU  65           HA       GLU  65 -11.065   2.576  11.262
  442   1HB   GLU  65          2HB       GLU  65 -11.995   4.187  13.013
  443   2HB   GLU  65          1HB       GLU  65 -11.758   2.517  13.531
  444   1HG   GLU  65          2HG       GLU  65  -9.755   3.058  14.708
  445   2HG   GLU  65          1HG       GLU  65  -9.655   4.648  13.952
  446    H    ARG  66           H        ARG  66  -8.137   4.354  11.808
  447    HA   ARG  66           HA       ARG  66  -9.191   6.902  10.889
  448   1HB   ARG  66          2HB       ARG  66  -6.286   6.185  10.558
  449   2HB   ARG  66          1HB       ARG  66  -7.015   7.699  11.073
  450   1HG   ARG  66          2HG       ARG  66  -7.780   6.051  13.138
  451   2HG   ARG  66          1HG       ARG  66  -6.236   5.324  12.690
  452   1HD   ARG  66          2HD       ARG  66  -6.668   8.261  13.318
  453   2HD   ARG  66          1HD       ARG  66  -5.978   7.084  14.430
  454    HE   ARG  66           HE       ARG  66  -4.647   8.234  12.053
  455   1HH1  ARG  66          1HH2      ARG  66  -4.703   5.864  14.581
  456   2HH1  ARG  66          2HH2      ARG  66  -2.997   5.571  14.514
  457   1HH2  ARG  66          1HH1      ARG  66  -2.439   7.877  11.979
  458   2HH2  ARG  66          2HH1      ARG  66  -1.710   6.711  13.029
  459    H    GLU  67           H        GLU  67  -7.761   4.048   9.431
  460    HA   GLU  67           HA       GLU  67  -7.403   5.173   6.800
  461   1HB   GLU  67          2HB       GLU  67  -6.390   3.023   7.967
  462   2HB   GLU  67          1HB       GLU  67  -7.813   2.237   7.292
  463   1HG   GLU  67          2HG       GLU  67  -7.155   3.278   5.049
  464   2HG   GLU  67          1HG       GLU  67  -5.617   3.692   5.810
  465    H    ILE  68           H        ILE  68  -9.969   3.219   8.336
  466    HA   ILE  68           HA       ILE  68 -11.556   2.771   6.053
  467    HB   ILE  68           HB       ILE  68 -12.221   3.129   8.984
  468   1HG1  ILE  68          2HG1      ILE  68 -12.614   0.754   8.915
  469   2HG1  ILE  68          1HG1      ILE  68 -12.551   0.732   7.156
  470   1HG2  ILE  68          1HG2      ILE  68 -14.229   3.907   7.953
  471   2HG2  ILE  68          2HG2      ILE  68 -14.524   2.204   8.307
  472   3HG2  ILE  68          3HG2      ILE  68 -14.123   2.710   6.661
  473   1HD1  ILE  68          1HD1      ILE  68 -10.193   1.205   7.154
  474   2HD1  ILE  68          2HD1      ILE  68 -10.459  -0.099   8.309
  475   3HD1  ILE  68          3HD1      ILE  68 -10.212   1.546   8.881
  476    H    GLY  69           H        GLY  69 -11.478   5.616   8.216
  477   1HA   GLY  69          2HA       GLY  69 -13.611   6.966   6.781
  478   2HA   GLY  69          1HA       GLY  69 -12.536   7.716   7.956
  479    H    MET  70           H        MET  70 -10.088   6.864   6.453
  480    HA   MET  70           HA       MET  70 -10.050   9.108   4.567
  481   1HB   MET  70          2HB       MET  70  -8.013   7.068   5.500
  482   2HB   MET  70          1HB       MET  70  -7.670   8.172   4.161
  483   1HG   MET  70          2HG       MET  70  -8.174  10.095   5.635
  484   2HG   MET  70          1HG       MET  70  -8.486   8.989   6.972
  485   1HE   MET  70          1HE       MET  70  -6.520   7.079   7.662
  486   2HE   MET  70          2HE       MET  70  -6.937   8.488   8.626
  487   3HE   MET  70          3HE       MET  70  -5.249   8.050   8.397
  488    H    LEU  71           H        LEU  71 -10.476   5.668   4.547
  489    HA   LEU  71           HA       LEU  71  -9.894   5.214   1.756
  490   1HB   LEU  71          2HB       LEU  71 -11.291   3.728   3.949
  491   2HB   LEU  71          1HB       LEU  71 -11.603   3.210   2.303
  492    HG   LEU  71           HG       LEU  71  -8.756   3.626   3.200
  493   1HD1  LEU  71          1HD1      LEU  71  -8.751   1.147   3.765
  494   2HD1  LEU  71          2HD1      LEU  71 -10.511   1.243   3.811
  495   3HD1  LEU  71          3HD1      LEU  71  -9.548   2.198   4.939
  496   1HD2  LEU  71          1HD2      LEU  71 -10.098   1.711   1.257
  497   2HD2  LEU  71          2HD2      LEU  71  -8.360   1.841   1.520
  498   3HD2  LEU  71          3HD2      LEU  71  -9.249   3.186   0.805
  499    H    GLU  72           H        GLU  72 -12.698   6.420   3.526
  500    HA   GLU  72           HA       GLU  72 -14.471   6.123   1.213
  501   1HB   GLU  72          2HB       GLU  72 -15.493   6.046   3.398
  502   2HB   GLU  72          1HB       GLU  72 -14.714   7.555   3.886
  503   1HG   GLU  72          2HG       GLU  72 -16.089   8.856   2.457
  504   2HG   GLU  72          1HG       GLU  72 -16.586   7.455   1.510
  505    H    CYS  73           H        CYS  73 -11.980   8.161   2.078
  506    HA   CYS  73           HA       CYS  73 -13.075  10.523   0.610
  507   1HB   CYS  73          2HB       CYS  73 -11.415  10.202   2.926
  508   2HB   CYS  73          1HB       CYS  73 -10.447  11.018   1.707
  509    HG   CYS  73           HG       CYS  73 -12.147  12.598   3.261
  510    H    VAL  74           H        VAL  74 -11.609   7.793  -0.410
  511    HA   VAL  74           HA       VAL  74  -9.317   8.854  -1.813
  512    HB   VAL  74           HB       VAL  74  -9.314   6.697  -2.968
  513   1HG1  VAL  74          1HG1      VAL  74  -8.298   6.610  -0.840
  514   2HG1  VAL  74          2HG1      VAL  74  -9.405   5.242  -0.830
  515   3HG1  VAL  74          3HG1      VAL  74  -9.838   6.731   0.004
  516   1HG2  VAL  74          1HG2      VAL  74 -11.614   5.541  -1.519
  517   2HG2  VAL  74          2HG2      VAL  74 -11.172   5.369  -3.206
  518   3HG2  VAL  74          3HG2      VAL  74 -12.111   6.758  -2.680
  519    H    THR  75           H        THR  75  -9.167   8.932  -4.201
  520    HA   THR  75           HA       THR  75 -11.557  10.232  -5.356
  521    HB   THR  75           HB       THR  75  -8.810   9.845  -6.572
  522    HG1  THR  75           1HG      THR  75  -8.295  11.760  -5.666
  523   1HG2  THR  75          1HG2      THR  75 -10.352  10.435  -8.279
  524   2HG2  THR  75          2HG2      THR  75  -9.579  11.951  -7.815
  525   3HG2  THR  75          3HG2      THR  75 -11.199  11.572  -7.232
  526    H    ALA  76           H        ALA  76  -9.914   7.118  -5.607
  527    HA   ALA  76           HA       ALA  76 -11.325   6.541  -8.172
  528   1HB   ALA  76          1HB       ALA  76  -9.001   5.381  -6.694
  529   2HB   ALA  76          2HB       ALA  76  -9.158   5.748  -8.402
  530   3HB   ALA  76          3HB       ALA  76  -9.916   4.303  -7.742
  531    H    GLU  77           H        GLU  77 -11.964   3.952  -8.106
  532    HA   GLU  77           HA       GLU  77 -14.213   3.836  -6.332
  533   1HB   GLU  77          2HB       GLU  77 -14.878   2.584  -8.111
  534   2HB   GLU  77          1HB       GLU  77 -13.234   2.572  -8.713
  535   1HG   GLU  77          2HG       GLU  77 -12.721   0.556  -7.436
  536   2HG   GLU  77          1HG       GLU  77 -14.309   0.605  -6.662
  537    H    LEU  78           H        LEU  78 -14.322   2.864  -4.357
  538    HA   LEU  78           HA       LEU  78 -11.904   1.553  -3.295
  539   1HB   LEU  78          2HB       LEU  78 -13.773   3.056  -2.041
  540   2HB   LEU  78          1HB       LEU  78 -14.464   1.463  -1.738
  541    HG   LEU  78           HG       LEU  78 -12.085   0.782  -0.996
  542   1HD1  LEU  78          1HD1      LEU  78 -11.440   3.328  -1.917
  543   2HD1  LEU  78          2HD1      LEU  78 -10.425   2.283  -0.949
  544   3HD1  LEU  78          3HD1      LEU  78 -11.415   3.505  -0.166
  545   1HD2  LEU  78          1HD2      LEU  78 -12.526   1.380   1.237
  546   2HD2  LEU  78          2HD2      LEU  78 -14.120   1.317   0.500
  547   3HD2  LEU  78          3HD2      LEU  78 -13.341   2.874   0.780
  548    H    LYS  79           H        LYS  79 -11.933  -0.476  -2.307
  549    HA   LYS  79           HA       LYS  79 -13.618  -2.495  -3.740
  550   1HB   LYS  79          2HB       LYS  79 -10.700  -2.234  -3.100
  551   2HB   LYS  79          1HB       LYS  79 -11.375  -3.853  -3.244
  552   1HG   LYS  79          2HG       LYS  79 -11.786  -1.765  -5.388
  553   2HG   LYS  79          1HG       LYS  79 -10.344  -2.767  -5.353
  554   1HD   LYS  79          2HD       LYS  79 -11.911  -4.793  -5.273
  555   2HD   LYS  79          1HD       LYS  79 -13.212  -3.674  -5.684
  556   1HE   LYS  79          2HE       LYS  79 -12.277  -4.731  -7.705
  557   2HE   LYS  79          1HE       LYS  79 -12.008  -2.988  -7.710
  558   1HZ   LYS  79          1HZ       LYS  79  -9.808  -3.248  -7.563
  559   2HZ   LYS  79          2HZ       LYS  79 -10.090  -4.841  -8.082
  560   3HZ   LYS  79          3HZ       LYS  79  -9.918  -4.504  -6.426
  561    HA   PRO  80           HA       PRO  80 -14.738  -4.075   0.259
  562   1HB   PRO  80          2HB       PRO  80 -14.195  -6.823  -0.078
  563   2HB   PRO  80          1HB       PRO  80 -15.707  -6.012  -0.532
  564   1HG   PRO  80          2HG       PRO  80 -13.386  -6.763  -2.238
  565   2HG   PRO  80          1HG       PRO  80 -15.117  -6.758  -2.623
  566   1HD   PRO  80          2HD       PRO  80 -13.465  -4.820  -3.525
  567   2HD   PRO  80          1HD       PRO  80 -15.147  -4.468  -3.080
  568    H    ASN  81           H        ASN  81 -11.714  -5.288  -1.139
  569    HA   ASN  81           HA       ASN  81 -10.461  -5.285   1.577
  570   1HB   ASN  81          2HB       ASN  81  -9.120  -7.063   0.948
  571   2HB   ASN  81          1HB       ASN  81 -10.531  -7.392  -0.046
  572   1HD2  ASN  81          1HD2      ASN  81  -9.918  -5.149  -1.951
  573   2HD2  ASN  81          2HD2      ASN  81  -8.581  -5.671  -2.860
  574    H    SER  82           H        SER  82 -10.827  -2.843  -0.125
  575    HA   SER  82           HA       SER  82  -8.305  -2.140  -1.331
  576   1HB   SER  82          2HB       SER  82 -10.877  -1.031  -1.025
  577   2HB   SER  82          1HB       SER  82  -9.756   0.139  -0.345
  578    HG   SER  82           HG       SER  82  -8.987   0.494  -2.243
  579    H    ARG  83           H        ARG  83  -6.605  -0.981  -0.390
  580    HA   ARG  83           HA       ARG  83  -6.772  -0.337   2.523
  581   1HB   ARG  83          2HB       ARG  83  -4.760  -2.167   1.202
  582   2HB   ARG  83          1HB       ARG  83  -4.420  -1.371   2.740
  583   1HG   ARG  83          2HG       ARG  83  -6.972  -2.940   2.423
  584   2HG   ARG  83          1HG       ARG  83  -5.465  -3.789   2.711
  585   1HD   ARG  83          2HD       ARG  83  -5.108  -2.665   4.777
  586   2HD   ARG  83          1HD       ARG  83  -6.395  -1.507   4.461
  587    HE   ARG  83           HE       ARG  83  -7.869  -3.699   4.464
  588   1HH1  ARG  83          1HH2      ARG  83  -5.148  -2.961   6.472
  589   2HH1  ARG  83          2HH2      ARG  83  -5.705  -3.923   7.796
  590   1HH2  ARG  83          1HH1      ARG  83  -8.603  -4.938   6.198
  591   2HH2  ARG  83          2HH1      ARG  83  -7.651  -5.036   7.641
  592    H    LEU  84           H        LEU  84  -4.616   0.691   3.190
  593    HA   LEU  84           HA       LEU  84  -3.745   2.607   1.049
  594   1HB   LEU  84          2HB       LEU  84  -4.432   2.966   3.938
  595   2HB   LEU  84          1HB       LEU  84  -3.087   3.925   3.328
  596    HG   LEU  84           HG       LEU  84  -4.531   4.779   1.501
  597   1HD1  LEU  84          1HD1      LEU  84  -7.041   4.332   1.812
  598   2HD1  LEU  84          2HD1      LEU  84  -6.546   2.953   2.796
  599   3HD1  LEU  84          3HD1      LEU  84  -6.068   3.050   1.099
  600   1HD2  LEU  84          1HD2      LEU  84  -6.085   5.162   4.062
  601   2HD2  LEU  84          2HD2      LEU  84  -5.698   6.346   2.819
  602   3HD2  LEU  84          3HD2      LEU  84  -4.444   5.789   3.923
  603    H    CYS  85           H        CYS  85  -1.401   3.482   1.698
  604    HA   CYS  85           HA       CYS  85   0.243   1.024   2.187
  605   1HB   CYS  85          2HB       CYS  85   0.527   2.072   0.012
  606   2HB   CYS  85          1HB       CYS  85   0.891   3.619   0.769
  607    HG   CYS  85           HG       CYS  85   2.834   1.283   0.473
  608    H    CYS  86           H        CYS  86  -0.421   4.138   3.621
  609    HA   CYS  86           HA       CYS  86   2.167   4.112   5.087
  610   1HB   CYS  86          2HB       CYS  86   1.582   6.299   5.875
  611   2HB   CYS  86          1HB       CYS  86   1.194   6.236   4.153
  612    H    GLN  87           H        GLN  87  -0.495   2.356   5.577
  613    HA   GLN  87           HA       GLN  87  -0.277   2.602   8.576
  614   1HB   GLN  87          2HB       GLN  87  -2.782   2.155   6.928
  615   2HB   GLN  87          1HB       GLN  87  -2.701   1.934   8.669
  616   1HG   GLN  87          2HG       GLN  87  -1.920   4.522   7.306
  617   2HG   GLN  87          1HG       GLN  87  -3.548   4.209   7.908
  618   1HE2  GLN  87          1HE2      GLN  87  -3.913   4.393  10.170
  619   2HE2  GLN  87          2HE2      GLN  87  -2.694   4.788  11.281
  620    H    ILE  88           H        ILE  88   0.622   0.753   6.171
  621    HA   ILE  88           HA       ILE  88  -0.126  -1.850   7.506
  622    HB   ILE  88           HB       ILE  88   0.374  -1.170   4.601
  623   1HG1  ILE  88          2HG1      ILE  88  -1.776  -2.756   6.054
  624   2HG1  ILE  88          1HG1      ILE  88  -1.919  -1.070   5.586
  625   1HG2  ILE  88          1HG2      ILE  88   0.815  -3.790   6.024
  626   2HG2  ILE  88          2HG2      ILE  88   1.734  -3.072   4.708
  627   3HG2  ILE  88          3HG2      ILE  88   0.167  -3.804   4.383
  628   1HD1  ILE  88          1HD1      ILE  88  -1.236  -3.093   3.470
  629   2HD1  ILE  88          2HD1      ILE  88  -2.100  -1.569   3.327
  630   3HD1  ILE  88          3HD1      ILE  88  -2.902  -2.966   4.036
  631    H    ILE  89           H        ILE  89   1.421  -2.997   8.412
  632    HA   ILE  89           HA       ILE  89   4.284  -2.258   8.033
  633    HB   ILE  89           HB       ILE  89   3.037  -4.090  10.097
  634   1HG1  ILE  89          2HG1      ILE  89   2.069  -1.889  10.402
  635   2HG1  ILE  89          1HG1      ILE  89   3.300  -2.119  11.643
  636   1HG2  ILE  89          1HG2      ILE  89   5.713  -2.678   9.964
  637   2HG2  ILE  89          2HG2      ILE  89   5.456  -4.414   9.754
  638   3HG2  ILE  89          3HG2      ILE  89   5.141  -3.651  11.320
  639   1HD1  ILE  89          1HD1      ILE  89   4.902  -0.949   9.954
  640   2HD1  ILE  89          2HD1      ILE  89   3.746   0.045  10.840
  641   3HD1  ILE  89          3HD1      ILE  89   3.422  -0.407   9.168
  642    H    MET  90           H        MET  90   5.464  -3.527   6.692
  643    HA   MET  90           HA       MET  90   4.462  -6.128   5.851
  644   1HB   MET  90          2HB       MET  90   5.961  -4.281   4.578
  645   2HB   MET  90          1HB       MET  90   7.252  -5.335   5.156
  646   1HG   MET  90          2HG       MET  90   6.518  -6.083   2.942
  647   2HG   MET  90          1HG       MET  90   6.060  -7.280   4.147
  648   1HE   MET  90          1HE       MET  90   4.289  -8.497   3.420
  649   2HE   MET  90          2HE       MET  90   2.630  -7.957   3.192
  650   3HE   MET  90          3HE       MET  90   3.373  -7.834   4.773
  651    H    THR  91           H        THR  91   5.655  -8.109   6.004
  652    HA   THR  91           HA       THR  91   7.699  -8.307   8.124
  653    HB   THR  91           HB       THR  91   6.362 -10.212   9.182
  654    HG1  THR  91           1HG      THR  91   4.069  -8.967   8.242
  655   1HG2  THR  91          1HG2      THR  91   5.211  -7.421   9.375
  656   2HG2  THR  91          2HG2      THR  91   6.620  -8.013  10.255
  657   3HG2  THR  91          3HG2      THR  91   5.028  -8.700  10.570
  658    HA   PRO  92           HA       PRO  92   9.284 -11.319   5.312
  659   1HB   PRO  92          2HB       PRO  92  10.262 -13.226   7.116
  660   2HB   PRO  92          1HB       PRO  92  11.127 -11.766   6.606
  661   1HG   PRO  92          2HG       PRO  92   9.516 -12.259   9.070
  662   2HG   PRO  92          1HG       PRO  92  11.035 -11.364   8.874
  663   1HD   PRO  92          2HD       PRO  92   8.696 -10.077   9.143
  664   2HD   PRO  92          1HD       PRO  92   9.958  -9.458   8.046
  665    H    GLU  93           H        GLU  93   7.422 -12.723   8.031
  666    HA   GLU  93           HA       GLU  93   6.803 -15.191   6.818
  667   1HB   GLU  93          2HB       GLU  93   4.633 -14.987   8.222
  668   2HB   GLU  93          1HB       GLU  93   6.173 -14.962   9.084
  669   1HG   GLU  93          2HG       GLU  93   6.102 -12.615   9.385
  670   2HG   GLU  93          1HG       GLU  93   4.848 -12.407   8.166
  671    H    LEU  94           H        LEU  94   5.257 -12.025   6.404
  672    HA   LEU  94           HA       LEU  94   3.263 -13.204   4.591
  673   1HB   LEU  94          2HB       LEU  94   3.663 -10.539   5.862
  674   2HB   LEU  94          1HB       LEU  94   2.791 -10.514   4.349
  675    HG   LEU  94           HG       LEU  94   2.082 -12.372   6.641
  676   1HD1  LEU  94          1HD1      LEU  94   1.825  -9.675   6.908
  677   2HD1  LEU  94          2HD1      LEU  94   0.709 -10.833   7.615
  678   3HD1  LEU  94          3HD1      LEU  94   0.303 -10.051   6.085
  679   1HD2  LEU  94          1HD2      LEU  94   0.066 -11.497   4.625
  680   2HD2  LEU  94          2HD2      LEU  94   0.297 -13.063   5.395
  681   3HD2  LEU  94          3HD2      LEU  94   1.306 -12.590   4.043
  682    H    ASP  95           H        ASP  95   6.224 -13.059   3.961
  683    HA   ASP  95           HA       ASP  95   6.737 -11.256   1.859
  684   1HB   ASP  95          2HB       ASP  95   8.424 -12.877   1.107
  685   2HB   ASP  95          1HB       ASP  95   8.437 -12.759   2.867
  686    H    GLY  96           H        GLY  96   6.178 -11.202  -0.279
  687   1HA   GLY  96          2HA       GLY  96   5.566 -12.347  -2.388
  688   2HA   GLY  96          1HA       GLY  96   4.581 -13.464  -1.437
  689    H    ILE  97           H        ILE  97   4.211 -10.551  -0.072
  690    HA   ILE  97           HA       ILE  97   1.489 -10.254  -0.668
  691    HB   ILE  97           HB       ILE  97   2.062  -9.107   1.243
  692   1HG1  ILE  97          2HG1      ILE  97   2.157  -6.665   0.958
  693   2HG1  ILE  97          1HG1      ILE  97   2.460  -6.849  -0.756
  694   1HG2  ILE  97          1HG2      ILE  97   4.617  -8.560  -0.190
  695   2HG2  ILE  97          2HG2      ILE  97   4.363  -9.410   1.312
  696   3HG2  ILE  97          3HG2      ILE  97   4.229  -7.668   1.248
  697   1HD1  ILE  97          1HD1      ILE  97   0.164  -6.558  -0.766
  698   2HD1  ILE  97          2HD1      ILE  97  -0.043  -7.311   0.801
  699   3HD1  ILE  97          3HD1      ILE  97   0.217  -8.310  -0.620
  700    H    VAL  98           H        VAL  98   0.361  -9.437  -2.356
  701    HA   VAL  98           HA       VAL  98   1.887  -7.966  -4.477
  702    HB   VAL  98           HB       VAL  98  -0.871  -9.127  -4.789
  703   1HG1  VAL  98          1HG1      VAL  98   1.400  -8.660  -6.742
  704   2HG1  VAL  98          2HG1      VAL  98   0.020  -7.583  -6.527
  705   3HG1  VAL  98          3HG1      VAL  98  -0.225  -9.215  -7.146
  706   1HG2  VAL  98          1HG2      VAL  98   0.309 -11.155  -5.731
  707   2HG2  VAL  98          2HG2      VAL  98   0.461 -10.972  -3.982
  708   3HG2  VAL  98          3HG2      VAL  98   1.804 -10.527  -5.033
  709    H    VAL  99           H        VAL  99   1.623  -5.768  -4.438
  710    HA   VAL  99           HA       VAL  99  -0.882  -4.616  -3.303
  711    HB   VAL  99           HB       VAL  99   1.529  -2.978  -4.086
  712   1HG1  VAL  99          1HG1      VAL  99   0.867  -1.771  -1.988
  713   2HG1  VAL  99          2HG1      VAL  99  -0.445  -2.931  -1.766
  714   3HG1  VAL  99          3HG1      VAL  99  -0.440  -1.856  -3.166
  715   1HG2  VAL  99          1HG2      VAL  99   1.453  -4.964  -1.822
  716   2HG2  VAL  99          2HG2      VAL  99   2.394  -3.483  -1.681
  717   3HG2  VAL  99          3HG2      VAL  99   2.748  -4.632  -2.972
  718    H    ASP 100           H        ASP 100  -2.271  -3.731  -4.723
  719    HA   ASP 100           HA       ASP 100  -1.377  -3.233  -7.527
  720   1HB   ASP 100          2HB       ASP 100  -3.855  -4.234  -6.268
  721   2HB   ASP 100          1HB       ASP 100  -4.116  -3.127  -7.618
  722    H    VAL 101           H        VAL 101  -1.059  -1.222  -8.109
  723    HA   VAL 101           HA       VAL 101  -2.300   0.996  -6.549
  724    HB   VAL 101           HB       VAL 101   0.070   1.112  -8.428
  725   1HG1  VAL 101          1HG1      VAL 101   0.477   3.262  -7.299
  726   2HG1  VAL 101          2HG1      VAL 101  -0.957   3.019  -6.297
  727   3HG1  VAL 101          3HG1      VAL 101  -1.123   3.249  -8.037
  728   1HG2  VAL 101          1HG2      VAL 101   0.611  -0.347  -6.556
  729   2HG2  VAL 101          2HG2      VAL 101  -0.077   0.806  -5.412
  730   3HG2  VAL 101          3HG2      VAL 101   1.394   1.211  -6.289
  731    HA   PRO 102           HA       PRO 102  -4.604   1.643 -10.406
  732   1HB   PRO 102          2HB       PRO 102  -6.213   3.639  -9.634
  733   2HB   PRO 102          1HB       PRO 102  -6.345   2.038  -8.886
  734   1HG   PRO 102          2HG       PRO 102  -4.941   4.465  -7.863
  735   2HG   PRO 102          1HG       PRO 102  -6.046   3.364  -7.025
  736   1HD   PRO 102          2HD       PRO 102  -3.313   3.160  -6.825
  737   2HD   PRO 102          1HD       PRO 102  -4.422   1.780  -6.637
  738    H    ASP 103           H        ASP 103  -5.456   3.802 -11.525
  739    HA   ASP 103           HA       ASP 103  -3.058   5.435 -12.201
  740   1HB   ASP 103          2HB       ASP 103  -4.568   6.293 -14.051
  741   2HB   ASP 103          1HB       ASP 103  -4.227   4.564 -14.135
  742    H    ARG 104           H        ARG 104  -5.950   5.472 -10.416
  743    HA   ARG 104           HA       ARG 104  -5.826   8.441 -10.025
  744   1HB   ARG 104          2HB       ARG 104  -8.081   6.491 -10.322
  745   2HB   ARG 104          1HB       ARG 104  -8.316   7.775  -9.147
  746   1HG   ARG 104          2HG       ARG 104  -7.388   8.361 -11.959
  747   2HG   ARG 104          1HG       ARG 104  -9.100   8.185 -11.582
  748   1HD   ARG 104          2HD       ARG 104  -8.871  10.472 -11.285
  749   2HD   ARG 104          1HD       ARG 104  -8.477   9.951  -9.649
  750    HE   ARG 104           HE       ARG 104  -6.036   9.914 -10.964
  751   1HH1  ARG 104          1HH2      ARG 104  -8.594  12.191 -10.513
  752   2HH1  ARG 104          2HH2      ARG 104  -7.560  13.575 -10.659
  753   1HH2  ARG 104          1HH1      ARG 104  -4.683  11.692 -11.152
  754   2HH2  ARG 104          2HH1      ARG 104  -5.335  13.290 -11.016
  755    H    GLN 105           H        GLN 105  -4.605   8.606  -8.099
  756    HA   GLN 105           HA       GLN 105  -5.415   6.796  -5.860
  757   1HB   GLN 105          2HB       GLN 105  -3.124   7.089  -5.011
  758   2HB   GLN 105          1HB       GLN 105  -3.089   6.442  -6.650
  759   1HG   GLN 105          2HG       GLN 105  -2.896   8.891  -7.430
  760   2HG   GLN 105          1HG       GLN 105  -2.521   9.271  -5.752
  761   1HE2  GLN 105          1HE2      GLN 105  -1.330   6.277  -5.887
  762   2HE2  GLN 105          2HE2      GLN 105   0.240   6.568  -6.460
  763    H    TRP 106           H        TRP 106  -5.129   9.965  -7.064
  764    HA   TRP 106           HA       TRP 106  -4.712  11.624  -4.857
  765   1HB   TRP 106          2HB       TRP 106  -5.216  12.427  -7.182
  766   2HB   TRP 106          1HB       TRP 106  -6.919  12.065  -6.895
  767    HD1  TRP 106           HD       TRP 106  -8.305  13.775  -5.537
  768    HE1  TRP 106           1HE      TRP 106  -7.774  16.032  -4.397
  769    HE3  TRP 106           3HE      TRP 106  -3.206  13.766  -5.880
  770    HZ2  TRP 106           2HZ      TRP 106  -5.499  17.616  -3.727
  771    HZ3  TRP 106           3HZ      TRP 106  -1.886  15.661  -4.977
  772    HH2  TRP 106           HH       TRP 106  -3.024  17.584  -3.907
  Start of MODEL    2
    1   1H    SER   1          1HT       SER   1  10.771  -8.103   4.093
    2   2H    SER   1          2HT       SER   1  11.681  -8.979   2.959
    3   3H    SER   1          3HT       SER   1  11.254  -9.693   4.437
    4    HA   SER   1           HA       SER   1   9.653 -10.633   3.169
    5   1HB   SER   1          2HB       SER   1   7.601  -8.999   3.176
    6   2HB   SER   1          1HB       SER   1   8.298  -9.494   4.708
    7    HG   SER   1           HG       SER   1   8.219  -7.332   4.855
    8    H    LYS   2           H        LYS   2   8.734 -10.873   1.061
    9    HA   LYS   2           HA       LYS   2   9.942  -9.145  -0.975
   10   1HB   LYS   2          2HB       LYS   2   8.554 -11.779  -0.836
   11   2HB   LYS   2          1HB       LYS   2   8.225 -10.868  -2.304
   12   1HG   LYS   2          2HG       LYS   2  11.066 -11.202  -1.329
   13   2HG   LYS   2          1HG       LYS   2  10.286 -12.505  -2.228
   14   1HD   LYS   2          2HD       LYS   2  10.171  -9.711  -3.348
   15   2HD   LYS   2          1HD       LYS   2  11.661 -10.636  -3.515
   16   1HE   LYS   2          2HE       LYS   2   8.968 -11.754  -4.327
   17   2HE   LYS   2          1HE       LYS   2   9.991 -10.847  -5.440
   18   1HZ   LYS   2          1HZ       LYS   2  10.428 -13.485  -4.238
   19   2HZ   LYS   2          2HZ       LYS   2  11.785 -12.522  -4.582
   20   3HZ   LYS   2          3HZ       LYS   2  10.711 -12.959  -5.827
   21    H    VAL   3           H        VAL   3   8.866  -7.317  -1.678
   22    HA   VAL   3           HA       VAL   3   5.892  -7.221  -1.315
   23    HB   VAL   3           HB       VAL   3   8.183  -5.321  -0.904
   24   1HG1  VAL   3          1HG1      VAL   3   6.832  -4.018  -2.415
   25   2HG1  VAL   3          2HG1      VAL   3   6.585  -3.414  -0.784
   26   3HG1  VAL   3          3HG1      VAL   3   5.359  -4.440  -1.529
   27   1HG2  VAL   3          1HG2      VAL   3   5.632  -5.906   0.591
   28   2HG2  VAL   3          2HG2      VAL   3   6.908  -4.835   1.155
   29   3HG2  VAL   3          3HG2      VAL   3   7.225  -6.558   0.962
   30    H    VAL   4           H        VAL   4   4.839  -7.156  -3.238
   31    HA   VAL   4           HA       VAL   4   6.345  -6.183  -5.651
   32    HB   VAL   4           HB       VAL   4   4.029  -8.069  -5.459
   33   1HG1  VAL   4          1HG1      VAL   4   4.609  -8.388  -7.933
   34   2HG1  VAL   4          2HG1      VAL   4   5.515  -6.881  -7.789
   35   3HG1  VAL   4          3HG1      VAL   4   3.776  -6.894  -7.506
   36   1HG2  VAL   4          1HG2      VAL   4   5.604  -9.775  -6.136
   37   2HG2  VAL   4          2HG2      VAL   4   6.272  -8.940  -4.731
   38   3HG2  VAL   4          3HG2      VAL   4   6.870  -8.567  -6.348
   39    H    TYR   5           H        TYR   5   5.599  -4.526  -6.674
   40    HA   TYR   5           HA       TYR   5   2.992  -3.284  -5.933
   41   1HB   TYR   5          2HB       TYR   5   5.576  -2.071  -6.952
   42   2HB   TYR   5          1HB       TYR   5   4.049  -1.188  -6.945
   43    HD1  TYR   5           1HD      TYR   5   6.855  -2.297  -4.955
   44    HD2  TYR   5           2HD      TYR   5   2.801  -0.897  -4.747
   45    HE1  TYR   5           1HE      TYR   5   7.166  -1.736  -2.560
   46    HE2  TYR   5           2HE      TYR   5   3.122  -0.335  -2.345
   47    HH   TYR   5           HH       TYR   5   6.283  -0.594  -0.801
   48    H    VAL   6           H        VAL   6   1.471  -3.654  -7.501
   49    HA   VAL   6           HA       VAL   6   2.410  -4.049 -10.328
   50    HB   VAL   6           HB       VAL   6  -0.353  -4.561  -9.183
   51   1HG1  VAL   6          1HG1      VAL   6  -0.190  -4.112 -11.636
   52   2HG1  VAL   6          2HG1      VAL   6  -0.715  -5.756 -11.269
   53   3HG1  VAL   6          3HG1      VAL   6   0.949  -5.452 -11.768
   54   1HG2  VAL   6          1HG2      VAL   6   0.361  -6.985  -9.430
   55   2HG2  VAL   6          2HG2      VAL   6   1.148  -6.112  -8.113
   56   3HG2  VAL   6          3HG2      VAL   6   2.010  -6.395  -9.630
   57    H    SER   7           H        SER   7   2.442  -2.211 -11.392
   58    HA   SER   7           HA       SER   7   1.067   0.143 -10.451
   59   1HB   SER   7          2HB       SER   7   2.210   1.314 -12.161
   60   2HB   SER   7          1HB       SER   7   3.320   0.057 -11.631
   61    HG   SER   7           HG       SER   7   2.546  -1.213 -13.398
   62    H    HIS   8           H        HIS   8   0.052   1.526 -12.278
   63    HA   HIS   8           HA       HIS   8  -2.411   0.146 -13.050
   64   1HB   HIS   8          2HB       HIS   8  -2.369   2.738 -14.267
   65   2HB   HIS   8          1HB       HIS   8  -3.220   2.269 -12.804
   66    HD1  HIS   8           1HD      HIS   8  -0.932   1.923 -10.814
   67    HD2  HIS   8           2HD      HIS   8  -1.097   5.076 -13.548
   68    HE1  HIS   8           1HE      HIS   8   0.501   3.783  -9.853
   69    HE2  HIS   8           2HE      HIS   8   0.412   5.701 -11.509
   70    H    ASP   9           H        ASP   9   0.358   1.654 -14.689
   71    HA   ASP   9           HA       ASP   9  -0.514   1.031 -17.342
   72   1HB   ASP   9          2HB       ASP   9   2.097   1.160 -17.757
   73   2HB   ASP   9          1HB       ASP   9   1.208   2.615 -17.312
   74    H    GLY  10           H        GLY  10   0.356  -1.052 -14.842
   75   1HA   GLY  10          2HA       GLY  10   0.243  -3.442 -15.107
   76   2HA   GLY  10          1HA       GLY  10   0.739  -3.270 -16.792
   77    H    THR  11           H        THR  11   2.877  -1.270 -15.546
   78    HA   THR  11           HA       THR  11   4.992  -3.208 -15.545
   79    HB   THR  11           HB       THR  11   4.915  -0.513 -15.918
   80    HG1  THR  11           1HG      THR  11   6.550  -1.733 -16.690
   81   1HG2  THR  11          1HG2      THR  11   6.356  -0.876 -13.278
   82   2HG2  THR  11          2HG2      THR  11   4.763  -0.137 -13.436
   83   3HG2  THR  11          3HG2      THR  11   6.159   0.619 -14.196
   84    H    ARG  12           H        ARG  12   5.803  -4.353 -13.967
   85    HA   ARG  12           HA       ARG  12   4.719  -4.003 -11.195
   86   1HB   ARG  12          2HB       ARG  12   6.255  -6.372 -12.266
   87   2HB   ARG  12          1HB       ARG  12   5.242  -6.302 -10.826
   88   1HG   ARG  12          2HG       ARG  12   3.260  -5.885 -12.253
   89   2HG   ARG  12          1HG       ARG  12   4.278  -6.001 -13.692
   90   1HD   ARG  12          2HD       ARG  12   3.846  -8.234 -13.684
   91   2HD   ARG  12          1HD       ARG  12   4.827  -8.366 -12.222
   92    HE   ARG  12           HE       ARG  12   2.629  -7.788 -10.987
   93   1HH1  ARG  12          1HH2      ARG  12   2.732  -9.438 -14.041
   94   2HH1  ARG  12          2HH2      ARG  12   1.223 -10.230 -13.799
   95   1HH2  ARG  12          1HH1      ARG  12   0.686  -8.858 -10.670
   96   2HH2  ARG  12          2HH1      ARG  12   0.070  -9.908 -11.899
   97    H    ARG  13           H        ARG  13   6.065  -3.507  -9.487
   98    HA   ARG  13           HA       ARG  13   9.027  -3.645  -9.886
   99   1HB   ARG  13          2HB       ARG  13   8.144  -1.274 -10.079
  100   2HB   ARG  13          1HB       ARG  13   7.556  -1.444  -8.417
  101   1HG   ARG  13          2HG       ARG  13   9.919  -2.057  -7.751
  102   2HG   ARG  13          1HG       ARG  13  10.435  -1.602  -9.372
  103   1HD   ARG  13          2HD       ARG  13   8.802   0.403  -7.880
  104   2HD   ARG  13          1HD       ARG  13  10.438   0.135  -7.300
  105    HE   ARG  13           HE       ARG  13  11.281   1.060  -9.324
  106   1HH1  ARG  13          1HH2      ARG  13   7.852   0.603  -9.396
  107   2HH1  ARG  13          2HH2      ARG  13   7.610   1.668 -10.734
  108   1HH2  ARG  13          1HH1      ARG  13  10.966   2.480 -11.031
  109   2HH2  ARG  13          2HH1      ARG  13   9.370   2.745 -11.652
  110    H    GLU  14           H        GLU  14   9.906  -4.787  -8.217
  111    HA   GLU  14           HA       GLU  14   8.249  -5.189  -5.770
  112   1HB   GLU  14          2HB       GLU  14  10.403  -7.145  -6.487
  113   2HB   GLU  14          1HB       GLU  14   8.831  -7.425  -5.738
  114   1HG   GLU  14          2HG       GLU  14   8.584  -8.328  -7.905
  115   2HG   GLU  14          1HG       GLU  14   7.842  -6.734  -8.038
  116    H    LEU  15           H        LEU  15   9.200  -4.823  -3.753
  117    HA   LEU  15           HA       LEU  15  12.132  -4.146  -3.696
  118   1HB   LEU  15          2HB       LEU  15  10.479  -2.876  -1.580
  119   2HB   LEU  15          1HB       LEU  15  11.770  -2.188  -2.537
  120    HG   LEU  15           HG       LEU  15   8.971  -2.649  -3.464
  121   1HD1  LEU  15          1HD1      LEU  15  10.405  -0.122  -2.550
  122   2HD1  LEU  15          2HD1      LEU  15   9.170  -0.973  -1.630
  123   3HD1  LEU  15          3HD1      LEU  15   8.757  -0.189  -3.144
  124   1HD2  LEU  15          1HD2      LEU  15  11.149  -2.402  -5.081
  125   2HD2  LEU  15          2HD2      LEU  15  10.817  -0.691  -4.799
  126   3HD2  LEU  15          3HD2      LEU  15   9.578  -1.728  -5.504
  127    H    ASP  16           H        ASP  16  12.887  -4.129  -1.395
  128    HA   ASP  16           HA       ASP  16  11.787  -6.462   0.123
  129   1HB   ASP  16          2HB       ASP  16  14.561  -5.298  -0.238
  130   2HB   ASP  16          1HB       ASP  16  14.177  -6.156   1.243
  131    H    VAL  17           H        VAL  17  10.523  -5.641   1.781
  132    HA   VAL  17           HA       VAL  17  11.300  -3.016   3.033
  133    HB   VAL  17           HB       VAL  17   8.532  -4.296   3.168
  134   1HG1  VAL  17          1HG1      VAL  17   8.486  -1.425   2.950
  135   2HG1  VAL  17          2HG1      VAL  17   9.714  -1.821   4.138
  136   3HG1  VAL  17          3HG1      VAL  17   8.065  -2.411   4.342
  137   1HG2  VAL  17          1HG2      VAL  17   9.745  -2.559   0.982
  138   2HG2  VAL  17          2HG2      VAL  17   8.012  -2.808   1.168
  139   3HG2  VAL  17          3HG2      VAL  17   9.072  -4.169   0.806
  140    H    ALA  18           H        ALA  18  12.066  -3.211   5.058
  141    HA   ALA  18           HA       ALA  18  12.300  -5.775   6.313
  142   1HB   ALA  18          1HB       ALA  18  13.641  -4.720   7.882
  143   2HB   ALA  18          2HB       ALA  18  12.632  -3.274   7.937
  144   3HB   ALA  18          3HB       ALA  18  13.711  -3.541   6.576
  145    H    ASP  19           H        ASP  19  11.532  -6.379   8.412
  146    HA   ASP  19           HA       ASP  19   8.725  -6.317   8.715
  147   1HB   ASP  19          2HB       ASP  19   9.215  -7.131  11.055
  148   2HB   ASP  19          1HB       ASP  19   9.979  -8.068   9.779
  149    H    GLY  20           H        GLY  20   7.379  -5.083   9.839
  150   1HA   GLY  20          2HA       GLY  20   6.624  -3.333  11.265
  151   2HA   GLY  20          1HA       GLY  20   8.287  -3.094  11.774
  152    H    VAL  21           H        VAL  21   8.335  -2.988   8.396
  153    HA   VAL  21           HA       VAL  21   8.425  -0.030   8.514
  154    HB   VAL  21           HB       VAL  21   9.074  -1.942   6.271
  155   1HG1  VAL  21          1HG1      VAL  21   9.330   1.030   6.596
  156   2HG1  VAL  21          2HG1      VAL  21   8.647   0.110   5.251
  157   3HG1  VAL  21          3HG1      VAL  21  10.392   0.149   5.492
  158   1HG2  VAL  21          1HG2      VAL  21  11.385  -1.679   6.812
  159   2HG2  VAL  21          2HG2      VAL  21  10.554  -2.137   8.302
  160   3HG2  VAL  21          3HG2      VAL  21  11.018  -0.456   8.036
  161    H    SER  22           H        SER  22   7.159   1.240   7.018
  162    HA   SER  22           HA       SER  22   4.576  -0.016   6.336
  163   1HB   SER  22          2HB       SER  22   3.720   2.144   6.233
  164   2HB   SER  22          1HB       SER  22   5.061   2.394   7.351
  165    HG   SER  22           HG       SER  22   5.213   2.714   4.530
  166    H    LEU  23           H        LEU  23   3.945  -0.490   4.240
  167    HA   LEU  23           HA       LEU  23   5.773  -0.884   2.146
  168   1HB   LEU  23          2HB       LEU  23   2.822  -0.256   2.136
  169   2HB   LEU  23          1HB       LEU  23   3.693  -0.600   0.648
  170    HG   LEU  23           HG       LEU  23   3.726  -2.473   3.022
  171   1HD1  LEU  23          1HD1      LEU  23   1.991  -3.763   1.907
  172   2HD1  LEU  23          2HD1      LEU  23   1.987  -2.640   0.547
  173   3HD1  LEU  23          3HD1      LEU  23   1.407  -2.112   2.128
  174   1HD2  LEU  23          1HD2      LEU  23   5.517  -3.048   1.604
  175   2HD2  LEU  23          2HD2      LEU  23   4.618  -2.639   0.148
  176   3HD2  LEU  23          3HD2      LEU  23   4.224  -4.101   1.041
  177    H    MET  24           H        MET  24   4.027   2.009   3.066
  178    HA   MET  24           HA       MET  24   4.678   3.572   0.753
  179   1HB   MET  24          2HB       MET  24   2.902   4.138   2.399
  180   2HB   MET  24          1HB       MET  24   4.149   4.478   3.585
  181   1HG   MET  24          2HG       MET  24   3.496   6.585   2.609
  182   2HG   MET  24          1HG       MET  24   5.085   6.195   1.963
  183   1HE   MET  24          1HE       MET  24   4.050   8.247   0.186
  184   2HE   MET  24          2HE       MET  24   2.542   8.064   1.078
  185   3HE   MET  24          3HE       MET  24   2.534   7.970  -0.676
  186    H    GLN  25           H        GLN  25   6.324   3.024   3.867
  187    HA   GLN  25           HA       GLN  25   8.347   4.998   3.575
  188   1HB   GLN  25          2HB       GLN  25   8.222   2.368   5.032
  189   2HB   GLN  25          1HB       GLN  25   9.748   3.241   4.953
  190   1HG   GLN  25          2HG       GLN  25   7.208   4.632   5.816
  191   2HG   GLN  25          1HG       GLN  25   8.158   3.696   6.967
  192   1HE2  GLN  25          1HE2      GLN  25  10.583   4.331   7.050
  193   2HE2  GLN  25          2HE2      GLN  25  10.959   5.974   6.854
  194    H    ALA  26           H        ALA  26   8.569   1.478   2.719
  195    HA   ALA  26           HA       ALA  26  11.068   1.863   1.297
  196   1HB   ALA  26          1HB       ALA  26  10.361  -0.354   2.055
  197   2HB   ALA  26          2HB       ALA  26  10.599  -0.356   0.307
  198   3HB   ALA  26          3HB       ALA  26   8.969  -0.296   0.971
  199    H    ALA  27           H        ALA  27   7.730   2.377   0.294
  200    HA   ALA  27           HA       ALA  27   8.106   2.241  -2.517
  201   1HB   ALA  27          1HB       ALA  27   6.237   3.976  -0.887
  202   2HB   ALA  27          2HB       ALA  27   5.898   2.319  -1.383
  203   3HB   ALA  27          3HB       ALA  27   6.050   3.591  -2.587
  204    H    VAL  28           H        VAL  28   7.814   5.144  -0.479
  205    HA   VAL  28           HA       VAL  28   8.656   7.030  -2.399
  206    HB   VAL  28           HB       VAL  28   9.005   7.067   0.605
  207   1HG1  VAL  28          1HG1      VAL  28   9.473   9.185  -1.489
  208   2HG1  VAL  28          2HG1      VAL  28  10.565   8.665  -0.212
  209   3HG1  VAL  28          3HG1      VAL  28   9.124   9.600   0.178
  210   1HG2  VAL  28          1HG2      VAL  28   6.993   8.437   0.565
  211   2HG2  VAL  28          2HG2      VAL  28   6.670   6.949  -0.314
  212   3HG2  VAL  28          3HG2      VAL  28   6.990   8.446  -1.192
  213    H    SER  29           H        SER  29  10.519   4.673  -0.710
  214    HA   SER  29           HA       SER  29  13.083   6.058  -1.127
  215   1HB   SER  29          2HB       SER  29  13.630   4.694   0.601
  216   2HB   SER  29          1HB       SER  29  12.058   3.924   0.463
  217    HG   SER  29           HG       SER  29  14.368   2.845  -0.024
  218    H    ASN  30           H        ASN  30  11.024   3.916  -2.823
  219    HA   ASN  30           HA       ASN  30  13.218   3.182  -4.725
  220   1HB   ASN  30          2HB       ASN  30  10.606   1.832  -4.026
  221   2HB   ASN  30          1HB       ASN  30  11.527   1.433  -5.476
  222   1HD2  ASN  30          1HD2      ASN  30  12.043   1.807  -1.926
  223   2HD2  ASN  30          2HD2      ASN  30  13.171   0.543  -1.807
  224    H    GLY  31           H        GLY  31  11.197   5.604  -4.342
  225   1HA   GLY  31          2HA       GLY  31  10.243   7.098  -5.881
  226   2HA   GLY  31          1HA       GLY  31  11.070   6.178  -7.139
  227    H    ILE  32           H        ILE  32   8.381   5.173  -4.936
  228    HA   ILE  32           HA       ILE  32   6.879   4.451  -7.436
  229    HB   ILE  32           HB       ILE  32   6.442   3.198  -4.756
  230   1HG1  ILE  32          2HG1      ILE  32   8.457   2.445  -6.880
  231   2HG1  ILE  32          1HG1      ILE  32   8.795   2.893  -5.207
  232   1HG2  ILE  32          1HG2      ILE  32   4.848   2.971  -6.778
  233   2HG2  ILE  32          2HG2      ILE  32   5.359   1.499  -5.951
  234   3HG2  ILE  32          3HG2      ILE  32   6.120   1.965  -7.478
  235   1HD1  ILE  32          1HD1      ILE  32   7.321   0.419  -6.160
  236   2HD1  ILE  32          2HD1      ILE  32   7.380   0.942  -4.482
  237   3HD1  ILE  32          3HD1      ILE  32   8.869   0.489  -5.317
  238    H    TYR  33           H        TYR  33   5.989   5.130  -4.009
  239    HA   TYR  33           HA       TYR  33   3.437   6.251  -5.019
  240   1HB   TYR  33          2HB       TYR  33   4.379   5.195  -2.374
  241   2HB   TYR  33          1HB       TYR  33   3.142   6.451  -2.350
  242    HD1  TYR  33           1HD      TYR  33   3.897   2.980  -3.235
  243    HD2  TYR  33           2HD      TYR  33   0.976   6.116  -3.490
  244    HE1  TYR  33           1HE      TYR  33   2.182   1.326  -3.910
  245    HE2  TYR  33           2HE      TYR  33  -0.739   4.462  -4.162
  246    HH   TYR  33           HH       TYR  33  -1.146   2.354  -4.667
  247    H    ASP  34           H        ASP  34   6.404   7.517  -4.824
  248    HA   ASP  34           HA       ASP  34   6.117   9.744  -3.110
  249   1HB   ASP  34          2HB       ASP  34   7.735  10.830  -4.828
  250   2HB   ASP  34          1HB       ASP  34   8.283   9.376  -3.991
  251    H    ILE  35           H        ILE  35   6.445  10.648  -6.370
  252    HA   ILE  35           HA       ILE  35   5.340  12.490  -7.434
  253    HB   ILE  35           HB       ILE  35   4.497  10.606  -8.611
  254   1HG1  ILE  35          2HG1      ILE  35   2.314  11.318  -9.310
  255   2HG1  ILE  35          1HG1      ILE  35   2.007  12.123  -7.778
  256   1HG2  ILE  35          1HG2      ILE  35   2.666  10.169  -6.239
  257   2HG2  ILE  35          2HG2      ILE  35   3.955   9.114  -6.811
  258   3HG2  ILE  35          3HG2      ILE  35   2.496   9.327  -7.773
  259   1HD1  ILE  35          1HD1      ILE  35   2.733  13.596  -9.779
  260   2HD1  ILE  35          2HD1      ILE  35   4.340  12.918  -9.521
  261   3HD1  ILE  35          3HD1      ILE  35   3.563  13.850  -8.248
  262    H    VAL  36           H        VAL  36   5.266  14.043  -5.720
  263    HA   VAL  36           HA       VAL  36   4.222  15.455  -4.168
  264    HB   VAL  36           HB       VAL  36   1.810  14.531  -5.755
  265   1HG1  VAL  36          1HG1      VAL  36   2.148  16.675  -3.652
  266   2HG1  VAL  36          2HG1      VAL  36   0.950  15.382  -3.698
  267   3HG1  VAL  36          3HG1      VAL  36   0.847  16.724  -4.838
  268   1HG2  VAL  36          1HG2      VAL  36   3.724  15.787  -6.904
  269   2HG2  VAL  36          2HG2      VAL  36   3.309  17.158  -5.876
  270   3HG2  VAL  36          3HG2      VAL  36   2.130  16.531  -7.027
  271    H    GLY  37           H        GLY  37   4.549  14.433  -2.188
  272   1HA   GLY  37          2HA       GLY  37   2.766  12.209  -1.372
  273   2HA   GLY  37          1HA       GLY  37   4.155  12.808  -0.461
  274    H    ASP  38           H        ASP  38   0.896  12.626  -0.277
  275    HA   ASP  38           HA       ASP  38   0.182  15.307   0.503
  276   1HB   ASP  38          2HB       ASP  38  -1.078  12.596   0.745
  277   2HB   ASP  38          1HB       ASP  38  -1.737  13.911   1.717
  278    H    CYS  39           H        CYS  39   0.228  12.465   2.726
  279    HA   CYS  39           HA       CYS  39   1.173  14.344   4.861
  280   1HB   CYS  39          2HB       CYS  39   0.150  12.966   6.461
  281   2HB   CYS  39          1HB       CYS  39  -0.988  12.957   5.128
  282    H    GLY  40           H        GLY  40   2.533  12.219   2.763
  283   1HA   GLY  40          2HA       GLY  40   4.699  11.288   2.766
  284   2HA   GLY  40          1HA       GLY  40   4.944  12.009   4.359
  285    H    GLY  41           H        GLY  41   2.144  10.387   4.713
  286   1HA   GLY  41          2HA       GLY  41   1.701   8.003   5.045
  287   2HA   GLY  41          1HA       GLY  41   3.421   7.738   5.289
  288    H    SER  42           H        SER  42   1.629  10.393   6.772
  289    HA   SER  42           HA       SER  42   2.256   9.247   9.449
  290   1HB   SER  42          2HB       SER  42   3.010  11.509   9.241
  291   2HB   SER  42          1HB       SER  42   1.499  12.020   8.500
  292    HG   SER  42           HG       SER  42   1.433  10.834  11.035
  293    H    ALA  43           H        ALA  43  -0.021   8.532   7.505
  294    HA   ALA  43           HA       ALA  43  -2.289   7.972   7.670
  295   1HB   ALA  43          1HB       ALA  43  -3.064   7.271   9.816
  296   2HB   ALA  43          2HB       ALA  43  -1.957   8.359  10.650
  297   3HB   ALA  43          3HB       ALA  43  -1.332   6.940   9.809
  298    H    SER  44           H        SER  44  -2.273  10.395   6.788
  299    HA   SER  44           HA       SER  44  -4.349  11.814   8.363
  300   1HB   SER  44          2HB       SER  44  -1.957  12.692   8.885
  301   2HB   SER  44          1HB       SER  44  -2.015  13.388   7.270
  302    HG   SER  44           HG       SER  44  -4.183  14.194   8.072
  303    H    CYS  45           H        CYS  45  -3.450  10.521   5.498
  304    HA   CYS  45           HA       CYS  45  -5.292  12.321   4.003
  305   1HB   CYS  45          2HB       CYS  45  -3.826  12.743   2.226
  306   2HB   CYS  45          1HB       CYS  45  -2.752  12.860   3.613
  307    H    ALA  46           H        ALA  46  -5.170  11.147   1.550
  308    HA   ALA  46           HA       ALA  46  -5.615   8.225   1.998
  309   1HB   ALA  46          1HB       ALA  46  -7.712   9.984   1.834
  310   2HB   ALA  46          2HB       ALA  46  -7.813   8.306   1.317
  311   3HB   ALA  46          3HB       ALA  46  -7.511   9.575   0.136
  312    H    THR  47           H        THR  47  -3.738  10.339   0.544
  313    HA   THR  47           HA       THR  47  -3.889   9.779  -2.250
  314    HB   THR  47           HB       THR  47  -1.538  10.535  -0.486
  315    HG1  THR  47           1HG      THR  47  -3.160  12.092  -0.680
  316   1HG2  THR  47          1HG2      THR  47  -1.764  10.238  -3.487
  317   2HG2  THR  47          2HG2      THR  47  -0.559   9.528  -2.410
  318   3HG2  THR  47          3HG2      THR  47  -0.542  11.262  -2.729
  319    H    CYS  48           H        CYS  48  -2.752   7.917   0.431
  320    HA   CYS  48           HA       CYS  48  -1.148   6.088  -1.200
  321   1HB   CYS  48          2HB       CYS  48  -1.071   4.765   0.955
  322   2HB   CYS  48          1HB       CYS  48  -0.419   6.398   1.055
  323    H    HIS  49           H        HIS  49  -3.893   6.365  -2.041
  324    HA   HIS  49           HA       HIS  49  -5.506   4.132  -1.150
  325   1HB   HIS  49          2HB       HIS  49  -6.603   5.990  -2.204
  326   2HB   HIS  49          1HB       HIS  49  -5.513   5.950  -3.559
  327    HD1  HIS  49           1HD      HIS  49  -8.058   3.494  -2.026
  328    HD2  HIS  49           2HD      HIS  49  -6.717   4.867  -5.701
  329    HE1  HIS  49           1HE      HIS  49  -9.448   2.295  -3.813
  330    HE2  HIS  49           2HE      HIS  49  -8.606   3.126  -6.042
  331    H    VAL  50           H        VAL  50  -4.833   1.982  -1.506
  332    HA   VAL  50           HA       VAL  50  -3.966   1.290  -4.274
  333    HB   VAL  50           HB       VAL  50  -1.931   0.357  -3.723
  334   1HG1  VAL  50          1HG1      VAL  50  -1.921   2.755  -2.943
  335   2HG1  VAL  50          2HG1      VAL  50  -0.725   1.723  -2.159
  336   3HG1  VAL  50          3HG1      VAL  50  -2.201   2.152  -1.311
  337   1HG2  VAL  50          1HG2      VAL  50  -2.616  -1.389  -2.249
  338   2HG2  VAL  50          2HG2      VAL  50  -3.130  -0.248  -1.008
  339   3HG2  VAL  50          3HG2      VAL  50  -1.414  -0.471  -1.338
  340    H    TYR  51           H        TYR  51  -3.845  -1.231  -4.408
  341    HA   TYR  51           HA       TYR  51  -6.108  -2.378  -2.825
  342   1HB   TYR  51          2HB       TYR  51  -5.301  -2.708  -5.706
  343   2HB   TYR  51          1HB       TYR  51  -6.524  -3.684  -4.926
  344    HD1  TYR  51           1HD      TYR  51  -8.474  -2.305  -3.694
  345    HD2  TYR  51           2HD      TYR  51  -5.864  -0.686  -6.715
  346    HE1  TYR  51           1HE      TYR  51 -10.072  -0.467  -4.120
  347    HE2  TYR  51           2HE      TYR  51  -7.483   1.115  -7.106
  348    HH   TYR  51           HH       TYR  51 -10.365   1.154  -6.588
  349    H    VAL  52           H        VAL  52  -5.215  -3.696  -1.466
  350    HA   VAL  52           HA       VAL  52  -2.720  -5.203  -2.035
  351    HB   VAL  52           HB       VAL  52  -4.444  -5.131   0.459
  352   1HG1  VAL  52          1HG1      VAL  52  -2.355  -6.261   1.455
  353   2HG1  VAL  52          2HG1      VAL  52  -1.914  -6.628  -0.212
  354   3HG1  VAL  52          3HG1      VAL  52  -3.411  -7.265   0.458
  355   1HG2  VAL  52          1HG2      VAL  52  -2.992  -3.082  -0.226
  356   2HG2  VAL  52          2HG2      VAL  52  -1.616  -4.106   0.165
  357   3HG2  VAL  52          3HG2      VAL  52  -2.809  -3.709   1.406
  358    H    ASN  53           H        ASN  53  -2.709  -7.326  -2.599
  359    HA   ASN  53           HA       ASN  53  -5.054  -8.625  -3.497
  360   1HB   ASN  53          2HB       ASN  53  -2.259  -9.406  -2.973
  361   2HB   ASN  53          1HB       ASN  53  -3.377 -10.740  -2.750
  362   1HD2  ASN  53          1HD2      ASN  53  -2.034 -11.489  -4.773
  363   2HD2  ASN  53          2HD2      ASN  53  -2.654 -11.045  -6.295
  364    H    GLU  54           H        GLU  54  -6.762  -9.334  -2.361
  365    HA   GLU  54           HA       GLU  54  -7.159  -9.183   0.358
  366   1HB   GLU  54          2HB       GLU  54  -8.952 -10.926   0.043
  367   2HB   GLU  54          1HB       GLU  54  -9.016  -9.588  -1.098
  368   1HG   GLU  54          2HG       GLU  54  -7.988 -10.911  -2.828
  369   2HG   GLU  54          1HG       GLU  54  -7.605 -12.203  -1.688
  370    H    ALA  55           H        ALA  55  -4.830 -11.198  -0.907
  371    HA   ALA  55           HA       ALA  55  -5.259 -13.430   0.964
  372   1HB   ALA  55          1HB       ALA  55  -4.368 -14.051  -1.162
  373   2HB   ALA  55          2HB       ALA  55  -3.051 -14.221  -0.003
  374   3HB   ALA  55          3HB       ALA  55  -3.108 -12.819  -1.071
  375    H    PHE  56           H        PHE  56  -3.561 -10.333   1.081
  376    HA   PHE  56           HA       PHE  56  -1.935 -11.293   3.398
  377   1HB   PHE  56          2HB       PHE  56  -1.598  -9.130   1.338
  378   2HB   PHE  56          1HB       PHE  56  -0.593  -9.234   2.785
  379    HD1  PHE  56           1HD      PHE  56  -1.455 -10.892  -0.411
  380    HD2  PHE  56           2HD      PHE  56   1.002 -11.017   3.080
  381    HE1  PHE  56           1HE      PHE  56  -0.049 -12.653  -1.451
  382    HE2  PHE  56           2HE      PHE  56   2.406 -12.757   2.082
  383    HZ   PHE  56           HZ       PHE  56   1.883 -13.589  -0.211
  384    H    THR  57           H        THR  57  -4.621  -9.561   2.394
  385    HA   THR  57           HA       THR  57  -4.562  -7.313   4.206
  386    HB   THR  57           HB       THR  57  -7.031  -7.207   3.733
  387    HG1  THR  57           1HG      THR  57  -7.909  -8.982   3.112
  388   1HG2  THR  57          1HG2      THR  57  -5.587  -7.677   1.147
  389   2HG2  THR  57          2HG2      THR  57  -5.112  -6.351   2.193
  390   3HG2  THR  57          3HG2      THR  57  -6.749  -6.415   1.549
  391    H    ASP  58           H        ASP  58  -5.987 -10.583   4.428
  392    HA   ASP  58           HA       ASP  58  -7.121  -9.986   7.057
  393   1HB   ASP  58          2HB       ASP  58  -7.878 -12.310   7.034
  394   2HB   ASP  58          1HB       ASP  58  -8.226 -11.572   5.470
  395    H    LYS  59           H        LYS  59  -4.072 -10.674   5.953
  396    HA   LYS  59           HA       LYS  59  -3.299 -12.164   8.432
  397   1HB   LYS  59          2HB       LYS  59  -1.377 -11.605   6.190
  398   2HB   LYS  59          1HB       LYS  59  -1.510 -13.014   7.242
  399   1HG   LYS  59          2HG       LYS  59  -3.714 -13.539   6.097
  400   2HG   LYS  59          1HG       LYS  59  -3.328 -12.281   4.924
  401   1HD   LYS  59          2HD       LYS  59  -1.490 -13.489   4.058
  402   2HD   LYS  59          1HD       LYS  59  -1.333 -14.486   5.504
  403   1HE   LYS  59          2HE       LYS  59  -3.905 -14.710   3.981
  404   2HE   LYS  59          1HE       LYS  59  -2.469 -15.433   3.258
  405   1HZ   LYS  59          1HZ       LYS  59  -3.402 -17.086   4.607
  406   2HZ   LYS  59          2HZ       LYS  59  -3.671 -16.016   5.899
  407   3HZ   LYS  59          3HZ       LYS  59  -2.089 -16.491   5.504
  408    H    VAL  60           H        VAL  60  -2.516  -9.226   6.550
  409    HA   VAL  60           HA       VAL  60  -0.606  -8.309   8.543
  410    HB   VAL  60           HB       VAL  60  -1.318  -7.604   5.915
  411   1HG1  VAL  60          1HG1      VAL  60  -1.934  -5.257   7.705
  412   2HG1  VAL  60          2HG1      VAL  60  -3.033  -6.106   6.634
  413   3HG1  VAL  60          3HG1      VAL  60  -1.704  -5.166   5.961
  414   1HG2  VAL  60          1HG2      VAL  60   0.878  -7.093   5.936
  415   2HG2  VAL  60          2HG2      VAL  60   0.893  -7.036   7.692
  416   3HG2  VAL  60          3HG2      VAL  60   0.502  -5.595   6.778
  417    HA   PRO  61           HA       PRO  61  -3.222  -6.790  11.641
  418   1HB   PRO  61          2HB       PRO  61  -2.383  -4.117  12.032
  419   2HB   PRO  61          1HB       PRO  61  -1.708  -5.559  12.808
  420   1HG   PRO  61          2HG       PRO  61  -0.660  -3.978  10.542
  421   2HG   PRO  61          1HG       PRO  61   0.202  -4.995  11.705
  422   1HD   PRO  61          2HD       PRO  61  -0.272  -5.706   9.090
  423   2HD   PRO  61          1HD       PRO  61   0.029  -6.878  10.366
  424    H    ALA  62           H        ALA  62  -5.315  -6.524  11.289
  425    HA   ALA  62           HA       ALA  62  -6.757  -5.378   9.350
  426   1HB   ALA  62          1HB       ALA  62  -7.382  -5.345  12.312
  427   2HB   ALA  62          2HB       ALA  62  -7.847  -6.579  11.139
  428   3HB   ALA  62          3HB       ALA  62  -8.557  -4.966  11.051
  429    H    ALA  63           H        ALA  63  -7.127  -3.495   8.604
  430    HA   ALA  63           HA       ALA  63  -5.742  -1.135   9.335
  431   1HB   ALA  63          1HB       ALA  63  -6.621  -1.235   7.132
  432   2HB   ALA  63          2HB       ALA  63  -7.558   0.020   7.935
  433   3HB   ALA  63          3HB       ALA  63  -8.248  -1.586   7.711
  434    H    ASN  64           H        ASN  64  -6.245   0.559  10.632
  435    HA   ASN  64           HA       ASN  64  -8.285   0.094  12.698
  436   1HB   ASN  64          2HB       ASN  64  -7.422   2.390  13.555
  437   2HB   ASN  64          1HB       ASN  64  -6.329   1.014  13.608
  438   1HD2  ASN  64          1HD2      ASN  64  -4.534   2.655  13.501
  439   2HD2  ASN  64          2HD2      ASN  64  -4.106   3.317  12.004
  440    H    GLU  65           H        GLU  65  -9.779   1.784  13.361
  441    HA   GLU  65           HA       GLU  65 -11.628   2.480  11.362
  442   1HB   GLU  65          2HB       GLU  65 -12.675   3.914  13.052
  443   2HB   GLU  65          1HB       GLU  65 -12.144   2.402  13.786
  444   1HG   GLU  65          2HG       GLU  65  -9.969   3.642  14.375
  445   2HG   GLU  65          1HG       GLU  65 -10.837   5.121  13.968
  446    H    ARG  66           H        ARG  66  -8.622   4.083  12.080
  447    HA   ARG  66           HA       ARG  66  -9.458   6.708  11.237
  448   1HB   ARG  66          2HB       ARG  66  -6.711   5.434  11.263
  449   2HB   ARG  66          1HB       ARG  66  -7.054   7.157  11.177
  450   1HG   ARG  66          2HG       ARG  66  -7.862   7.248  13.396
  451   2HG   ARG  66          1HG       ARG  66  -8.124   5.511  13.475
  452   1HD   ARG  66          2HD       ARG  66  -6.100   5.327  14.493
  453   2HD   ARG  66          1HD       ARG  66  -5.333   5.860  13.001
  454    HE   ARG  66           HE       ARG  66  -6.361   7.920  14.886
  455   1HH1  ARG  66          1HH2      ARG  66  -3.704   6.274  13.370
  456   2HH1  ARG  66          2HH2      ARG  66  -2.559   7.497  13.785
  457   1HH2  ARG  66          1HH1      ARG  66  -4.862   9.488  15.444
  458   2HH2  ARG  66          2HH1      ARG  66  -3.208   9.310  14.964
  459    H    GLU  67           H        GLU  67  -7.994   3.904   9.612
  460    HA   GLU  67           HA       GLU  67  -7.618   5.300   7.094
  461   1HB   GLU  67          2HB       GLU  67  -7.688   2.327   7.678
  462   2HB   GLU  67          1HB       GLU  67  -7.061   3.077   6.209
  463   1HG   GLU  67          2HG       GLU  67  -5.233   4.042   7.337
  464   2HG   GLU  67          1HG       GLU  67  -5.976   3.855   8.918
  465    H    ILE  68           H        ILE  68 -10.078   3.042   8.355
  466    HA   ILE  68           HA       ILE  68 -11.566   2.641   6.000
  467    HB   ILE  68           HB       ILE  68 -12.331   2.808   8.918
  468   1HG1  ILE  68          2HG1      ILE  68 -12.650   0.440   8.715
  469   2HG1  ILE  68          1HG1      ILE  68 -12.605   0.516   6.955
  470   1HG2  ILE  68          1HG2      ILE  68 -14.605   1.897   8.153
  471   2HG2  ILE  68          2HG2      ILE  68 -14.190   2.494   6.551
  472   3HG2  ILE  68          3HG2      ILE  68 -14.332   3.620   7.904
  473   1HD1  ILE  68          1HD1      ILE  68 -10.253   1.303   8.688
  474   2HD1  ILE  68          2HD1      ILE  68 -10.254   1.002   6.951
  475   3HD1  ILE  68          3HD1      ILE  68 -10.480  -0.332   8.080
  476    H    GLY  69           H        GLY  69 -11.438   5.421   8.150
  477   1HA   GLY  69          2HA       GLY  69 -13.632   6.801   6.785
  478   2HA   GLY  69          1HA       GLY  69 -12.590   7.499   8.017
  479    H    MET  70           H        MET  70 -10.093   6.759   6.551
  480    HA   MET  70           HA       MET  70 -10.043   9.083   4.758
  481   1HB   MET  70          2HB       MET  70  -7.956   7.006   5.489
  482   2HB   MET  70          1HB       MET  70  -7.653   8.359   4.402
  483   1HG   MET  70          2HG       MET  70  -8.257   9.944   6.181
  484   2HG   MET  70          1HG       MET  70  -8.575   8.601   7.278
  485   1HE   MET  70          1HE       MET  70  -7.100   8.603   9.089
  486   2HE   MET  70          2HE       MET  70  -5.414   8.102   8.999
  487   3HE   MET  70          3HE       MET  70  -6.672   7.046   8.357
  488    H    LEU  71           H        LEU  71 -10.072   5.592   4.601
  489    HA   LEU  71           HA       LEU  71  -9.514   5.244   1.830
  490   1HB   LEU  71          2HB       LEU  71 -10.817   3.676   4.013
  491   2HB   LEU  71          1HB       LEU  71 -11.172   3.156   2.374
  492    HG   LEU  71           HG       LEU  71  -8.316   3.668   3.220
  493   1HD1  LEU  71          1HD1      LEU  71  -9.104   2.126   4.898
  494   2HD1  LEU  71          2HD1      LEU  71  -8.179   1.200   3.720
  495   3HD1  LEU  71          3HD1      LEU  71  -9.942   1.155   3.686
  496   1HD2  LEU  71          1HD2      LEU  71  -7.952   1.843   1.492
  497   2HD2  LEU  71          2HD2      LEU  71  -8.660   3.320   0.838
  498   3HD2  LEU  71          3HD2      LEU  71  -9.674   1.917   1.147
  499    H    GLU  72           H        GLU  72 -12.434   6.226   3.546
  500    HA   GLU  72           HA       GLU  72 -14.133   5.938   1.183
  501   1HB   GLU  72          2HB       GLU  72 -15.158   5.686   3.366
  502   2HB   GLU  72          1HB       GLU  72 -14.521   7.240   3.907
  503   1HG   GLU  72          2HG       GLU  72 -16.952   7.302   3.260
  504   2HG   GLU  72          1HG       GLU  72 -15.954   8.425   2.337
  505    H    CYS  73           H        CYS  73 -11.802   8.071   2.249
  506    HA   CYS  73           HA       CYS  73 -12.965  10.437   0.839
  507   1HB   CYS  73          2HB       CYS  73 -11.350  10.132   3.178
  508   2HB   CYS  73          1HB       CYS  73 -10.384  11.018   2.001
  509    HG   CYS  73           HG       CYS  73 -13.196  12.162   2.208
  510    H    VAL  74           H        VAL  74 -11.345   7.819  -0.248
  511    HA   VAL  74           HA       VAL  74  -9.139   9.135  -1.618
  512    HB   VAL  74           HB       VAL  74  -8.851   7.015  -2.769
  513   1HG1  VAL  74          1HG1      VAL  74  -9.482   6.866   0.169
  514   2HG1  VAL  74          2HG1      VAL  74  -7.906   7.019  -0.589
  515   3HG1  VAL  74          3HG1      VAL  74  -8.795   5.502  -0.703
  516   1HG2  VAL  74          1HG2      VAL  74 -10.452   5.161  -2.242
  517   2HG2  VAL  74          2HG2      VAL  74 -11.148   6.427  -3.248
  518   3HG2  VAL  74          3HG2      VAL  74 -11.528   6.352  -1.522
  519    H    THR  75           H        THR  75  -9.079   8.982  -4.103
  520    HA   THR  75           HA       THR  75 -11.569  10.213  -5.123
  521    HB   THR  75           HB       THR  75  -8.847   9.918  -6.418
  522    HG1  THR  75           1HG      THR  75 -10.071  12.146  -5.172
  523   1HG2  THR  75          1HG2      THR  75 -11.353  11.447  -7.149
  524   2HG2  THR  75          2HG2      THR  75 -10.499  10.248  -8.122
  525   3HG2  THR  75          3HG2      THR  75  -9.770  11.827  -7.830
  526    H    ALA  76           H        ALA  76  -9.946   7.089  -5.366
  527    HA   ALA  76           HA       ALA  76 -11.416   6.490  -7.881
  528   1HB   ALA  76          1HB       ALA  76 -10.022   4.255  -7.479
  529   2HB   ALA  76          2HB       ALA  76  -9.082   5.312  -6.432
  530   3HB   ALA  76          3HB       ALA  76  -9.246   5.696  -8.134
  531    H    GLU  77           H        GLU  77 -12.079   3.936  -7.776
  532    HA   GLU  77           HA       GLU  77 -14.292   3.838  -5.931
  533   1HB   GLU  77          2HB       GLU  77 -15.051   2.671  -7.727
  534   2HB   GLU  77          1HB       GLU  77 -13.431   2.641  -8.392
  535   1HG   GLU  77          2HG       GLU  77 -14.260   0.377  -8.219
  536   2HG   GLU  77          1HG       GLU  77 -12.967   0.574  -7.045
  537    H    LEU  78           H        LEU  78 -14.414   2.772  -3.996
  538    HA   LEU  78           HA       LEU  78 -11.974   1.439  -2.992
  539   1HB   LEU  78          2HB       LEU  78 -13.844   2.945  -1.693
  540   2HB   LEU  78          1HB       LEU  78 -14.466   1.334  -1.333
  541    HG   LEU  78           HG       LEU  78 -12.086   0.708  -0.637
  542   1HD1  LEU  78          1HD1      LEU  78 -11.561   3.324  -1.657
  543   2HD1  LEU  78          2HD1      LEU  78 -10.428   2.149  -1.019
  544   3HD1  LEU  78          3HD1      LEU  78 -11.167   3.328   0.052
  545   1HD2  LEU  78          1HD2      LEU  78 -13.108   2.951   1.081
  546   2HD2  LEU  78          2HD2      LEU  78 -12.438   1.392   1.568
  547   3HD2  LEU  78          3HD2      LEU  78 -14.064   1.481   0.898
  548    H    LYS  79           H        LYS  79 -11.775  -0.592  -2.283
  549    HA   LYS  79           HA       LYS  79 -13.596  -2.594  -3.548
  550   1HB   LYS  79          2HB       LYS  79 -10.668  -2.371  -2.953
  551   2HB   LYS  79          1HB       LYS  79 -11.364  -3.983  -3.090
  552   1HG   LYS  79          2HG       LYS  79 -11.763  -1.887  -5.228
  553   2HG   LYS  79          1HG       LYS  79 -10.349  -2.928  -5.214
  554   1HD   LYS  79          2HD       LYS  79 -11.920  -4.921  -5.156
  555   2HD   LYS  79          1HD       LYS  79 -13.248  -3.798  -5.447
  556   1HE   LYS  79          2HE       LYS  79 -12.289  -3.095  -7.546
  557   2HE   LYS  79          1HE       LYS  79 -10.815  -4.010  -7.234
  558   1HZ   LYS  79          1HZ       LYS  79 -11.755  -5.876  -7.955
  559   2HZ   LYS  79          2HZ       LYS  79 -13.006  -4.911  -8.578
  560   3HZ   LYS  79          3HZ       LYS  79 -13.167  -5.628  -7.045
  561    HA   PRO  80           HA       PRO  80 -14.655  -4.156   0.480
  562   1HB   PRO  80          2HB       PRO  80 -14.208  -6.913   0.111
  563   2HB   PRO  80          1HB       PRO  80 -15.697  -6.051  -0.324
  564   1HG   PRO  80          2HG       PRO  80 -13.402  -6.848  -2.052
  565   2HG   PRO  80          1HG       PRO  80 -15.136  -6.829  -2.415
  566   1HD   PRO  80          2HD       PRO  80 -13.488  -4.908  -3.346
  567   2HD   PRO  80          1HD       PRO  80 -15.154  -4.531  -2.849
  568    H    ASN  81           H        ASN  81 -11.670  -5.316  -1.012
  569    HA   ASN  81           HA       ASN  81 -10.376  -5.431   1.692
  570   1HB   ASN  81          2HB       ASN  81  -9.068  -7.210   0.995
  571   2HB   ASN  81          1HB       ASN  81 -10.503  -7.507   0.023
  572   1HD2  ASN  81          1HD2      ASN  81  -9.892  -5.236  -1.850
  573   2HD2  ASN  81          2HD2      ASN  81  -8.588  -5.775  -2.799
  574    H    SER  82           H        SER  82 -10.761  -2.959   0.015
  575    HA   SER  82           HA       SER  82  -8.262  -2.240  -1.212
  576   1HB   SER  82          2HB       SER  82 -10.792  -1.072  -0.785
  577   2HB   SER  82          1HB       SER  82  -9.619   0.023  -0.065
  578    HG   SER  82           HG       SER  82  -8.431  -0.165  -2.030
  579    H    ARG  83           H        ARG  83  -6.520  -1.152  -0.290
  580    HA   ARG  83           HA       ARG  83  -6.535  -0.688   2.657
  581   1HB   ARG  83          2HB       ARG  83  -4.828  -2.599   1.097
  582   2HB   ARG  83          1HB       ARG  83  -4.120  -1.808   2.506
  583   1HG   ARG  83          2HG       ARG  83  -6.822  -3.095   2.802
  584   2HG   ARG  83          1HG       ARG  83  -5.412  -4.133   2.727
  585   1HD   ARG  83          2HD       ARG  83  -4.408  -3.023   4.609
  586   2HD   ARG  83          1HD       ARG  83  -5.684  -1.807   4.637
  587    HE   ARG  83           HE       ARG  83  -7.256  -3.815   5.079
  588   1HH1  ARG  83          1HH2      ARG  83  -3.938  -3.684   6.093
  589   2HH1  ARG  83          2HH2      ARG  83  -4.162  -4.838   7.354
  590   1HH2  ARG  83          1HH1      ARG  83  -7.529  -5.311   6.718
  591   2HH2  ARG  83          2HH1      ARG  83  -6.183  -5.754   7.714
  592    H    LEU  84           H        LEU  84  -4.456   0.390   3.322
  593    HA   LEU  84           HA       LEU  84  -3.659   2.402   1.266
  594   1HB   LEU  84          2HB       LEU  84  -3.431   2.521   4.287
  595   2HB   LEU  84          1HB       LEU  84  -3.038   3.814   3.171
  596    HG   LEU  84           HG       LEU  84  -5.773   2.642   3.740
  597   1HD1  LEU  84          1HD1      LEU  84  -4.619   4.487   5.192
  598   2HD1  LEU  84          2HD1      LEU  84  -6.287   4.729   4.679
  599   3HD1  LEU  84          3HD1      LEU  84  -4.977   5.550   3.831
  600   1HD2  LEU  84          1HD2      LEU  84  -4.822   4.401   1.471
  601   2HD2  LEU  84          2HD2      LEU  84  -6.476   4.532   2.061
  602   3HD2  LEU  84          3HD2      LEU  84  -5.897   3.004   1.408
  603    H    CYS  85           H        CYS  85  -1.325   3.236   1.792
  604    HA   CYS  85           HA       CYS  85   0.427   0.814   1.901
  605   1HB   CYS  85          2HB       CYS  85   0.369   2.203  -0.172
  606   2HB   CYS  85          1HB       CYS  85   1.004   3.555   0.760
  607    HG   CYS  85           HG       CYS  85   2.586   1.018  -0.029
  608    H    CYS  86           H        CYS  86  -0.280   3.709   3.685
  609    HA   CYS  86           HA       CYS  86   2.427   3.714   4.930
  610   1HB   CYS  86          2HB       CYS  86   1.745   5.821   5.964
  611   2HB   CYS  86          1HB       CYS  86   1.477   5.860   4.220
  612    H    GLN  87           H        GLN  87  -0.719   2.484   5.633
  613    HA   GLN  87           HA       GLN  87   0.004   2.245   8.552
  614   1HB   GLN  87          2HB       GLN  87  -2.666   2.075   7.125
  615   2HB   GLN  87          1HB       GLN  87  -2.438   1.664   8.832
  616   1HG   GLN  87          2HG       GLN  87  -1.681   4.344   7.626
  617   2HG   GLN  87          1HG       GLN  87  -3.208   4.036   8.447
  618   1HE2  GLN  87          1HE2      GLN  87  -3.192   3.836  10.765
  619   2HE2  GLN  87          2HE2      GLN  87  -1.806   4.157  11.695
  620    H    ILE  88           H        ILE  88   0.509   0.612   5.901
  621    HA   ILE  88           HA       ILE  88  -0.276  -2.093   6.957
  622    HB   ILE  88           HB       ILE  88   0.465  -1.092   4.202
  623   1HG1  ILE  88          2HG1      ILE  88  -1.615  -2.138   3.576
  624   2HG1  ILE  88          1HG1      ILE  88  -1.727  -2.976   5.118
  625   1HG2  ILE  88          1HG2      ILE  88   1.861  -2.994   4.281
  626   2HG2  ILE  88          2HG2      ILE  88   0.371  -3.609   3.569
  627   3HG2  ILE  88          3HG2      ILE  88   0.722  -3.897   5.271
  628   1HD1  ILE  88          1HD1      ILE  88  -1.646   0.036   4.994
  629   2HD1  ILE  88          2HD1      ILE  88  -2.243  -0.999   6.296
  630   3HD1  ILE  88          3HD1      ILE  88  -3.161  -0.844   4.794
  631    H    ILE  89           H        ILE  89   1.252  -3.133   8.121
  632    HA   ILE  89           HA       ILE  89   4.111  -2.360   7.869
  633    HB   ILE  89           HB       ILE  89   2.403  -3.582  10.006
  634   1HG1  ILE  89          2HG1      ILE  89   3.681  -2.105  11.445
  635   2HG1  ILE  89          1HG1      ILE  89   4.842  -1.786  10.157
  636   1HG2  ILE  89          1HG2      ILE  89   4.549  -4.356  11.199
  637   2HG2  ILE  89          2HG2      ILE  89   5.323  -4.317   9.611
  638   3HG2  ILE  89          3HG2      ILE  89   3.955  -5.390   9.903
  639   1HD1  ILE  89          1HD1      ILE  89   2.900  -0.070  10.631
  640   2HD1  ILE  89          2HD1      ILE  89   1.929  -1.199   9.686
  641   3HD1  ILE  89          3HD1      ILE  89   3.354  -0.442   8.972
  642    H    MET  90           H        MET  90   5.383  -3.586   6.632
  643    HA   MET  90           HA       MET  90   4.511  -6.145   5.629
  644   1HB   MET  90          2HB       MET  90   6.129  -4.327   4.592
  645   2HB   MET  90          1HB       MET  90   7.371  -5.263   5.417
  646   1HG   MET  90          2HG       MET  90   7.128  -6.153   3.196
  647   2HG   MET  90          1HG       MET  90   6.445  -7.323   4.312
  648   1HE   MET  90          1HE       MET  90   4.374  -8.133   4.431
  649   2HE   MET  90          2HE       MET  90   4.327  -8.556   2.732
  650   3HE   MET  90          3HE       MET  90   2.943  -7.753   3.472
  651    H    THR  91           H        THR  91   5.576  -8.165   5.956
  652    HA   THR  91           HA       THR  91   7.441  -8.475   8.195
  653    HB   THR  91           HB       THR  91   5.777 -10.353   9.076
  654    HG1  THR  91           1HG      THR  91   4.288  -9.854   7.340
  655   1HG2  THR  91          1HG2      THR  91   5.203  -7.444   9.653
  656   2HG2  THR  91          2HG2      THR  91   6.549  -8.352  10.348
  657   3HG2  THR  91          3HG2      THR  91   4.890  -8.818  10.716
  658    HA   PRO  92           HA       PRO  92   8.953 -11.607   5.492
  659   1HB   PRO  92          2HB       PRO  92   9.585 -13.615   7.377
  660   2HB   PRO  92          1HB       PRO  92  10.653 -12.311   6.842
  661   1HG   PRO  92          2HG       PRO  92   9.023 -12.527   9.316
  662   2HG   PRO  92          1HG       PRO  92  10.569 -11.698   9.047
  663   1HD   PRO  92          2HD       PRO  92   8.212 -10.356   9.273
  664   2HD   PRO  92          1HD       PRO  92   9.549  -9.765   8.263
  665    H    GLU  93           H        GLU  93   6.821 -12.956   8.036
  666    HA   GLU  93           HA       GLU  93   6.080 -15.300   6.591
  667   1HB   GLU  93          2HB       GLU  93   3.801 -14.838   7.997
  668   2HB   GLU  93          1HB       GLU  93   5.266 -15.470   8.748
  669   1HG   GLU  93          2HG       GLU  93   5.904 -13.327   9.564
  670   2HG   GLU  93          1HG       GLU  93   4.719 -12.502   8.546
  671    H    LEU  94           H        LEU  94   4.961 -12.000   6.378
  672    HA   LEU  94           HA       LEU  94   2.830 -12.694   4.447
  673   1HB   LEU  94          2HB       LEU  94   3.784 -10.035   5.551
  674   2HB   LEU  94          1HB       LEU  94   2.366 -10.222   4.562
  675    HG   LEU  94           HG       LEU  94   2.851 -11.111   7.393
  676   1HD1  LEU  94          1HD1      LEU  94   1.768  -8.966   6.925
  677   2HD1  LEU  94          2HD1      LEU  94   0.667 -10.069   7.743
  678   3HD1  LEU  94          3HD1      LEU  94   0.506  -9.789   6.008
  679   1HD2  LEU  94          1HD2      LEU  94   0.809 -12.314   5.500
  680   2HD2  LEU  94          2HD2      LEU  94   0.663 -12.369   7.253
  681   3HD2  LEU  94          3HD2      LEU  94   2.013 -13.168   6.474
  682    H    ASP  95           H        ASP  95   5.970 -12.720   4.086
  683    HA   ASP  95           HA       ASP  95   6.659 -10.924   2.036
  684   1HB   ASP  95          2HB       ASP  95   8.366 -12.575   1.411
  685   2HB   ASP  95          1HB       ASP  95   8.244 -12.466   3.168
  686    H    GLY  96           H        GLY  96   6.289 -10.873  -0.147
  687   1HA   GLY  96          2HA       GLY  96   5.818 -11.934  -2.294
  688   2HA   GLY  96          1HA       GLY  96   4.812 -13.113  -1.450
  689    H    ILE  97           H        ILE  97   4.193 -10.281   0.010
  690    HA   ILE  97           HA       ILE  97   1.541 -10.134  -0.796
  691    HB   ILE  97           HB       ILE  97   2.514  -9.045   1.202
  692   1HG1  ILE  97          2HG1      ILE  97   0.228  -8.574   0.277
  693   2HG1  ILE  97          1HG1      ILE  97   0.873  -7.342   1.337
  694   1HG2  ILE  97          1HG2      ILE  97   4.423  -7.908   0.321
  695   2HG2  ILE  97          2HG2      ILE  97   3.308  -6.681   0.909
  696   3HG2  ILE  97          3HG2      ILE  97   3.439  -6.982  -0.799
  697   1HD1  ILE  97          1HD1      ILE  97   0.291  -5.899  -0.270
  698   2HD1  ILE  97          2HD1      ILE  97   0.033  -7.189  -1.436
  699   3HD1  ILE  97          3HD1      ILE  97   1.640  -6.508  -1.219
  700    H    VAL  98           H        VAL  98   0.396  -9.348  -2.437
  701    HA   VAL  98           HA       VAL  98   1.872  -7.928  -4.624
  702    HB   VAL  98           HB       VAL  98  -0.864  -9.182  -4.822
  703   1HG1  VAL  98          1HG1      VAL  98  -0.026  -7.729  -6.667
  704   2HG1  VAL  98          2HG1      VAL  98  -0.261  -9.402  -7.176
  705   3HG1  VAL  98          3HG1      VAL  98   1.364  -8.801  -6.837
  706   1HG2  VAL  98          1HG2      VAL  98   0.343 -11.244  -5.623
  707   2HG2  VAL  98          2HG2      VAL  98   0.547 -10.923  -3.897
  708   3HG2  VAL  98          3HG2      VAL  98   1.843 -10.531  -5.031
  709    H    VAL  99           H        VAL  99   1.569  -5.736  -4.581
  710    HA   VAL  99           HA       VAL  99  -0.970  -4.629  -3.475
  711    HB   VAL  99           HB       VAL  99   1.415  -2.964  -4.296
  712   1HG1  VAL  99          1HG1      VAL  99  -0.634  -1.848  -3.568
  713   2HG1  VAL  99          2HG1      VAL  99   0.626  -1.610  -2.356
  714   3HG1  VAL  99          3HG1      VAL  99  -0.654  -2.795  -2.074
  715   1HG2  VAL  99          1HG2      VAL  99   2.563  -3.307  -2.239
  716   2HG2  VAL  99          2HG2      VAL  99   2.236  -4.922  -2.852
  717   3HG2  VAL  99          3HG2      VAL  99   1.240  -4.245  -1.562
  718    H    ASP 100           H        ASP 100  -2.413  -3.880  -4.899
  719    HA   ASP 100           HA       ASP 100  -1.598  -3.391  -7.718
  720   1HB   ASP 100          2HB       ASP 100  -4.032  -4.381  -6.372
  721   2HB   ASP 100          1HB       ASP 100  -4.346  -3.278  -7.714
  722    H    VAL 101           H        VAL 101  -1.268  -1.378  -8.323
  723    HA   VAL 101           HA       VAL 101  -2.414   0.845  -6.709
  724    HB   VAL 101           HB       VAL 101  -0.235   1.055  -8.792
  725   1HG1  VAL 101          1HG1      VAL 101  -1.158   2.753  -6.472
  726   2HG1  VAL 101          2HG1      VAL 101  -1.027   3.197  -8.165
  727   3HG1  VAL 101          3HG1      VAL 101   0.430   2.958  -7.208
  728   1HG2  VAL 101          1HG2      VAL 101  -0.088   0.092  -5.937
  729   2HG2  VAL 101          2HG2      VAL 101   1.267   0.977  -6.638
  730   3HG2  VAL 101          3HG2      VAL 101   0.731  -0.536  -7.365
  731    HA   PRO 102           HA       PRO 102  -4.900   1.579 -10.457
  732   1HB   PRO 102          2HB       PRO 102  -6.448   3.594  -9.568
  733   2HB   PRO 102          1HB       PRO 102  -6.616   1.956  -8.918
  734   1HG   PRO 102          2HG       PRO 102  -5.208   4.293  -7.740
  735   2HG   PRO 102          1HG       PRO 102  -6.258   3.092  -6.972
  736   1HD   PRO 102          2HD       PRO 102  -3.489   2.977  -6.885
  737   2HD   PRO 102          1HD       PRO 102  -4.561   1.570  -6.690
  738    H    ASP 103           H        ASP 103  -5.725   3.786 -11.532
  739    HA   ASP 103           HA       ASP 103  -3.293   5.371 -12.173
  740   1HB   ASP 103          2HB       ASP 103  -6.019   5.670 -13.457
  741   2HB   ASP 103          1HB       ASP 103  -4.438   6.064 -14.138
  742    H    ARG 104           H        ARG 104  -6.102   5.450 -10.281
  743    HA   ARG 104           HA       ARG 104  -5.915   8.408  -9.852
  744   1HB   ARG 104          2HB       ARG 104  -8.201   6.482 -10.075
  745   2HB   ARG 104          1HB       ARG 104  -8.372   7.741  -8.859
  746   1HG   ARG 104          2HG       ARG 104  -7.619   8.348 -11.732
  747   2HG   ARG 104          1HG       ARG 104  -9.295   8.240 -11.202
  748   1HD   ARG 104          2HD       ARG 104  -8.955  10.510 -10.906
  749   2HD   ARG 104          1HD       ARG 104  -8.439   9.950  -9.323
  750    HE   ARG 104           HE       ARG 104  -6.121   9.855 -10.860
  751   1HH1  ARG 104          1HH2      ARG 104  -8.554  12.198 -10.160
  752   2HH1  ARG 104          2HH2      ARG 104  -7.472  13.549 -10.254
  753   1HH2  ARG 104          1HH1      ARG 104  -4.686  11.594 -10.989
  754   2HH2  ARG 104          2HH1      ARG 104  -5.269  13.205 -10.733
  755    H    GLN 105           H        GLN 105  -4.659   8.574  -7.909
  756    HA   GLN 105           HA       GLN 105  -5.344   6.635  -5.740
  757   1HB   GLN 105          2HB       GLN 105  -2.789   8.189  -6.276
  758   2HB   GLN 105          1HB       GLN 105  -3.071   7.162  -4.867
  759   1HG   GLN 105          2HG       GLN 105  -1.857   5.842  -6.468
  760   2HG   GLN 105          1HG       GLN 105  -3.520   5.262  -6.472
  761   1HE2  GLN 105          1HE2      GLN 105  -1.553   7.771  -8.169
  762   2HE2  GLN 105          2HE2      GLN 105  -2.263   7.505  -9.692
  763    H    TRP 106           H        TRP 106  -5.392   9.868  -6.790
  764    HA   TRP 106           HA       TRP 106  -5.059  11.347  -4.400
  765   1HB   TRP 106          2HB       TRP 106  -5.430  12.293  -6.744
  766   2HB   TRP 106          1HB       TRP 106  -7.153  12.015  -6.483
  767    HD1  TRP 106           HD       TRP 106  -8.443  13.742  -5.067
  768    HE1  TRP 106           1HE      TRP 106  -7.793  15.858  -3.756
  769    HE3  TRP 106           3HE      TRP 106  -3.353  13.379  -5.274
  770    HZ2  TRP 106           2HZ      TRP 106  -5.426  17.228  -2.912
  771    HZ3  TRP 106           3HZ      TRP 106  -1.928  15.104  -4.210
  772    HH2  TRP 106           HH       TRP 106  -2.956  17.025  -3.032
  Start of MODEL    3
    1   1H    SER   1          1HT       SER   1  10.707  -7.744   3.224
    2   2H    SER   1          2HT       SER   1  11.766  -9.070   3.165
    3   3H    SER   1          3HT       SER   1  10.767  -8.832   4.524
    4    HA   SER   1           HA       SER   1  10.021 -10.612   2.956
    5   1HB   SER   1          2HB       SER   1   7.807  -8.624   2.932
    6   2HB   SER   1          1HB       SER   1   7.893 -10.206   3.686
    7    HG   SER   1           HG       SER   1   8.586  -7.705   4.668
    8    H    LYS   2           H        LYS   2   8.800 -10.933   0.865
    9    HA   LYS   2           HA       LYS   2   9.957  -9.241  -1.224
   10   1HB   LYS   2          2HB       LYS   2   8.453 -11.821  -1.041
   11   2HB   LYS   2          1HB       LYS   2   8.247 -10.912  -2.536
   12   1HG   LYS   2          2HG       LYS   2  11.023 -11.365  -1.444
   13   2HG   LYS   2          1HG       LYS   2  10.220 -12.668  -2.310
   14   1HD   LYS   2          2HD       LYS   2  10.282  -9.916  -3.540
   15   2HD   LYS   2          1HD       LYS   2  11.723 -10.926  -3.624
   16   1HE   LYS   2          2HE       LYS   2   8.995 -11.914  -4.492
   17   2HE   LYS   2          1HE       LYS   2  10.128 -11.139  -5.594
   18   1HZ   LYS   2          1HZ       LYS   2  11.694 -12.943  -4.396
   19   2HZ   LYS   2          2HZ       LYS   2  10.883 -13.214  -5.864
   20   3HZ   LYS   2          3HZ       LYS   2  10.214 -13.772  -4.402
   21    H    VAL   3           H        VAL   3   8.897  -7.366  -1.840
   22    HA   VAL   3           HA       VAL   3   5.941  -7.233  -1.373
   23    HB   VAL   3           HB       VAL   3   8.262  -5.312  -1.172
   24   1HG1  VAL   3          1HG1      VAL   3   6.553  -4.135  -2.508
   25   2HG1  VAL   3          2HG1      VAL   3   6.723  -3.445  -0.897
   26   3HG1  VAL   3          3HG1      VAL   3   5.349  -4.492  -1.268
   27   1HG2  VAL   3          1HG2      VAL   3   5.983  -6.109   0.623
   28   2HG2  VAL   3          2HG2      VAL   3   7.148  -4.858   1.028
   29   3HG2  VAL   3          3HG2      VAL   3   7.681  -6.526   0.819
   30    H    VAL   4           H        VAL   4   4.830  -7.174  -3.254
   31    HA   VAL   4           HA       VAL   4   6.216  -6.180  -5.732
   32    HB   VAL   4           HB       VAL   4   4.030  -8.201  -5.339
   33   1HG1  VAL   4          1HG1      VAL   4   5.072  -6.881  -7.842
   34   2HG1  VAL   4          2HG1      VAL   4   3.398  -6.989  -7.293
   35   3HG1  VAL   4          3HG1      VAL   4   4.231  -8.431  -7.875
   36   1HG2  VAL   4          1HG2      VAL   4   5.646  -9.711  -6.434
   37   2HG2  VAL   4          2HG2      VAL   4   6.310  -9.020  -4.954
   38   3HG2  VAL   4          3HG2      VAL   4   6.803  -8.386  -6.522
   39    H    TYR   5           H        TYR   5   5.343  -4.578  -6.742
   40    HA   TYR   5           HA       TYR   5   2.732  -3.424  -5.885
   41   1HB   TYR   5          2HB       TYR   5   5.228  -2.087  -6.959
   42   2HB   TYR   5          1HB       TYR   5   3.668  -1.271  -6.883
   43    HD1  TYR   5           1HD      TYR   5   6.541  -2.452  -4.996
   44    HD2  TYR   5           2HD      TYR   5   2.554  -0.892  -4.665
   45    HE1  TYR   5           1HE      TYR   5   6.950  -1.887  -2.618
   46    HE2  TYR   5           2HE      TYR   5   2.975  -0.326  -2.292
   47    HH   TYR   5           HH       TYR   5   6.183  -0.704  -0.849
   48    H    VAL   6           H        VAL   6   1.190  -3.692  -7.456
   49    HA   VAL   6           HA       VAL   6   2.117  -4.117 -10.269
   50    HB   VAL   6           HB       VAL   6  -0.629  -4.635  -9.092
   51   1HG1  VAL   6          1HG1      VAL   6   0.690  -5.357 -11.720
   52   2HG1  VAL   6          2HG1      VAL   6  -0.699  -4.295 -11.490
   53   3HG1  VAL   6          3HG1      VAL   6  -0.849  -6.023 -11.170
   54   1HG2  VAL   6          1HG2      VAL   6   1.725  -6.473  -9.593
   55   2HG2  VAL   6          2HG2      VAL   6   0.091  -7.038  -9.248
   56   3HG2  VAL   6          3HG2      VAL   6   0.982  -6.115  -8.034
   57    H    SER   7           H        SER   7   2.148  -2.289 -11.371
   58    HA   SER   7           HA       SER   7   0.724   0.073 -10.474
   59   1HB   SER   7          2HB       SER   7   1.988   1.236 -12.050
   60   2HB   SER   7          1HB       SER   7   3.024  -0.154 -11.728
   61    HG   SER   7           HG       SER   7   2.565  -0.956 -13.641
   62    H    HIS   8           H        HIS   8  -0.231   1.390 -12.444
   63    HA   HIS   8           HA       HIS   8  -2.665  -0.046 -13.214
   64   1HB   HIS   8          2HB       HIS   8  -2.559   2.498 -14.553
   65   2HB   HIS   8          1HB       HIS   8  -3.519   2.071 -13.146
   66    HD1  HIS   8           1HD      HIS   8  -1.319   1.777 -11.018
   67    HD2  HIS   8           2HD      HIS   8  -1.435   4.904 -13.778
   68    HE1  HIS   8           1HE      HIS   8   0.009   3.682 -10.002
   69    HE2  HIS   8           2HE      HIS   8  -0.054   5.588 -11.674
   70    H    ASP   9           H        ASP   9   0.134   1.415 -14.864
   71    HA   ASP   9           HA       ASP   9  -0.666   0.663 -17.500
   72   1HB   ASP   9          2HB       ASP   9   1.901   0.844 -17.916
   73   2HB   ASP   9          1HB       ASP   9   1.033   2.291 -17.403
   74    H    GLY  10           H        GLY  10   0.250  -1.293 -14.879
   75   1HA   GLY  10          2HA       GLY  10   0.160  -3.695 -15.045
   76   2HA   GLY  10          1HA       GLY  10   0.666  -3.587 -16.729
   77    H    THR  11           H        THR  11   2.726  -1.465 -15.466
   78    HA   THR  11           HA       THR  11   4.882  -3.380 -15.385
   79    HB   THR  11           HB       THR  11   4.808  -0.829 -16.096
   80    HG1  THR  11           1HG      THR  11   6.677  -1.693 -16.510
   81   1HG2  THR  11          1HG2      THR  11   5.629   0.689 -14.456
   82   2HG2  THR  11          2HG2      THR  11   5.951  -0.616 -13.319
   83   3HG2  THR  11          3HG2      THR  11   4.297  -0.165 -13.681
   84    H    ARG  12           H        ARG  12   5.822  -4.275 -13.705
   85    HA   ARG  12           HA       ARG  12   4.721  -3.715 -10.973
   86   1HB   ARG  12          2HB       ARG  12   6.054  -6.240 -11.961
   87   2HB   ARG  12          1HB       ARG  12   5.186  -6.028 -10.442
   88   1HG   ARG  12          2HG       ARG  12   3.091  -5.850 -11.509
   89   2HG   ARG  12          1HG       ARG  12   3.803  -5.498 -13.077
   90   1HD   ARG  12          2HD       ARG  12   4.152  -8.147 -11.663
   91   2HD   ARG  12          1HD       ARG  12   2.889  -7.830 -12.854
   92    HE   ARG  12           HE       ARG  12   5.526  -7.153 -13.862
   93   1HH1  ARG  12          1HH2      ARG  12   3.304  -9.696 -13.185
   94   2HH1  ARG  12          2HH2      ARG  12   3.840 -10.701 -14.485
   95   1HH2  ARG  12          1HH1      ARG  12   6.268  -8.476 -15.558
   96   2HH2  ARG  12          2HH1      ARG  12   5.528 -10.017 -15.830
   97    H    ARG  13           H        ARG  13   6.049  -3.306  -9.221
   98    HA   ARG  13           HA       ARG  13   9.009  -3.306  -9.686
   99   1HB   ARG  13          2HB       ARG  13   7.802  -1.480  -7.613
  100   2HB   ARG  13          1HB       ARG  13   9.257  -1.272  -8.580
  101   1HG   ARG  13          2HG       ARG  13   6.481  -1.106  -9.778
  102   2HG   ARG  13          1HG       ARG  13   7.309   0.285  -9.085
  103   1HD   ARG  13          2HD       ARG  13   8.994  -1.246 -10.991
  104   2HD   ARG  13          1HD       ARG  13   7.567  -0.525 -11.714
  105    HE   ARG  13           HE       ARG  13   9.883   0.935 -10.806
  106   1HH1  ARG  13          1HH2      ARG  13   6.458   0.936 -11.101
  107   2HH1  ARG  13          2HH2      ARG  13   6.307   2.658 -11.067
  108   1HH2  ARG  13          1HH1      ARG  13   9.723   3.209 -10.802
  109   2HH2  ARG  13          2HH1      ARG  13   8.164   3.958 -10.897
  110    H    GLU  14           H        GLU  14   9.848  -4.925  -8.412
  111    HA   GLU  14           HA       GLU  14   8.362  -5.717  -5.972
  112   1HB   GLU  14          2HB       GLU  14  10.764  -7.146  -7.097
  113   2HB   GLU  14          1HB       GLU  14   9.440  -7.800  -6.135
  114   1HG   GLU  14          2HG       GLU  14   7.921  -7.133  -8.131
  115   2HG   GLU  14          1HG       GLU  14   9.422  -6.994  -9.041
  116    H    LEU  15           H        LEU  15   9.179  -4.980  -3.995
  117    HA   LEU  15           HA       LEU  15  12.080  -4.169  -3.882
  118   1HB   LEU  15          2HB       LEU  15  10.351  -3.043  -1.742
  119   2HB   LEU  15          1HB       LEU  15  11.578  -2.256  -2.710
  120    HG   LEU  15           HG       LEU  15   8.779  -2.870  -3.556
  121   1HD1  LEU  15          1HD1      LEU  15   8.517  -0.390  -3.299
  122   2HD1  LEU  15          2HD1      LEU  15  10.176  -0.293  -2.728
  123   3HD1  LEU  15          3HD1      LEU  15   8.965  -1.153  -1.780
  124   1HD2  LEU  15          1HD2      LEU  15  10.529  -0.873  -4.981
  125   2HD2  LEU  15          2HD2      LEU  15   9.253  -1.902  -5.631
  126   3HD2  LEU  15          3HD2      LEU  15  10.840  -2.580  -5.300
  127    H    ASP  16           H        ASP  16  12.984  -4.327  -1.734
  128    HA   ASP  16           HA       ASP  16  11.939  -6.690  -0.207
  129   1HB   ASP  16          2HB       ASP  16  14.334  -6.788  -1.075
  130   2HB   ASP  16          1HB       ASP  16  14.692  -5.381  -0.069
  131    H    VAL  17           H        VAL  17  10.719  -5.914   1.544
  132    HA   VAL  17           HA       VAL  17  11.517  -3.264   2.729
  133    HB   VAL  17           HB       VAL  17   8.783  -4.596   2.797
  134   1HG1  VAL  17          1HG1      VAL  17   8.531  -3.021   4.401
  135   2HG1  VAL  17          2HG1      VAL  17   8.371  -1.910   3.050
  136   3HG1  VAL  17          3HG1      VAL  17   9.921  -2.073   3.869
  137   1HG2  VAL  17          1HG2      VAL  17   9.295  -4.155   0.494
  138   2HG2  VAL  17          2HG2      VAL  17  10.003  -2.597   0.877
  139   3HG2  VAL  17          3HG2      VAL  17   8.264  -2.830   1.030
  140    H    ALA  18           H        ALA  18  12.314  -3.388   4.721
  141    HA   ALA  18           HA       ALA  18  12.576  -5.902   6.087
  142   1HB   ALA  18          1HB       ALA  18  13.797  -4.704   7.736
  143   2HB   ALA  18          2HB       ALA  18  12.986  -3.187   7.341
  144   3HB   ALA  18          3HB       ALA  18  14.144  -3.885   6.211
  145    H    ASP  19           H        ASP  19  11.883  -6.310   8.253
  146    HA   ASP  19           HA       ASP  19   9.062  -6.134   8.615
  147   1HB   ASP  19          2HB       ASP  19   9.517  -7.046  10.867
  148   2HB   ASP  19          1HB       ASP  19  10.406  -7.921   9.627
  149    H    GLY  20           H        GLY  20   7.845  -4.849   9.808
  150   1HA   GLY  20          2HA       GLY  20   7.276  -3.066  11.311
  151   2HA   GLY  20          1HA       GLY  20   8.986  -2.788  11.569
  152    H    VAL  21           H        VAL  21   8.682  -2.814   8.224
  153    HA   VAL  21           HA       VAL  21   8.627   0.153   8.217
  154    HB   VAL  21           HB       VAL  21   9.240  -1.804   6.024
  155   1HG1  VAL  21          1HG1      VAL  21   9.464   1.177   6.219
  156   2HG1  VAL  21          2HG1      VAL  21   8.607   0.215   5.011
  157   3HG1  VAL  21          3HG1      VAL  21  10.369   0.244   5.022
  158   1HG2  VAL  21          1HG2      VAL  21  11.530  -1.591   6.441
  159   2HG2  VAL  21          2HG2      VAL  21  10.823  -1.747   8.057
  160   3HG2  VAL  21          3HG2      VAL  21  11.296  -0.159   7.453
  161    H    SER  22           H        SER  22   7.167   1.288   6.870
  162    HA   SER  22           HA       SER  22   4.655  -0.149   6.298
  163   1HB   SER  22          2HB       SER  22   3.935   2.195   5.528
  164   2HB   SER  22          1HB       SER  22   4.323   2.017   7.235
  165    HG   SER  22           HG       SER  22   5.839   3.178   5.155
  166    H    LEU  23           H        LEU  23   3.923  -0.629   4.202
  167    HA   LEU  23           HA       LEU  23   5.730  -1.058   2.103
  168   1HB   LEU  23          2HB       LEU  23   2.764  -0.530   2.149
  169   2HB   LEU  23          1HB       LEU  23   3.590  -0.814   0.632
  170    HG   LEU  23           HG       LEU  23   3.692  -2.718   2.985
  171   1HD1  LEU  23          1HD1      LEU  23   2.174  -3.123   0.407
  172   2HD1  LEU  23          2HD1      LEU  23   1.413  -2.380   1.811
  173   3HD1  LEU  23          3HD1      LEU  23   2.025  -4.029   1.910
  174   1HD2  LEU  23          1HD2      LEU  23   5.573  -3.280   1.731
  175   2HD2  LEU  23          2HD2      LEU  23   4.860  -2.715   0.223
  176   3HD2  LEU  23          3HD2      LEU  23   4.358  -4.255   0.916
  177    H    MET  24           H        MET  24   3.866   1.825   2.879
  178    HA   MET  24           HA       MET  24   4.534   3.288   0.510
  179   1HB   MET  24          2HB       MET  24   2.684   4.004   1.871
  180   2HB   MET  24          1HB       MET  24   3.720   4.169   3.282
  181   1HG   MET  24          2HG       MET  24   4.819   6.073   2.396
  182   2HG   MET  24          1HG       MET  24   4.245   5.744   0.759
  183   1HE   MET  24          1HE       MET  24   3.705   8.804   2.476
  184   2HE   MET  24          2HE       MET  24   2.503   8.957   1.196
  185   3HE   MET  24          3HE       MET  24   4.031   8.144   0.861
  186    H    GLN  25           H        GLN  25   6.141   2.952   3.670
  187    HA   GLN  25           HA       GLN  25   8.075   5.012   3.318
  188   1HB   GLN  25          2HB       GLN  25   7.954   2.481   4.931
  189   2HB   GLN  25          1HB       GLN  25   9.520   3.269   4.765
  190   1HG   GLN  25          2HG       GLN  25   7.075   4.846   5.579
  191   2HG   GLN  25          1HG       GLN  25   8.007   3.944   6.775
  192   1HE2  GLN  25          1HE2      GLN  25   7.712   6.995   6.070
  193   2HE2  GLN  25          2HE2      GLN  25   9.322   7.530   6.039
  194    H    ALA  26           H        ALA  26   8.387   1.492   2.581
  195    HA   ALA  26           HA       ALA  26  10.914   1.839   1.226
  196   1HB   ALA  26          1HB       ALA  26   8.811  -0.327   1.104
  197   2HB   ALA  26          2HB       ALA  26  10.363  -0.367   1.938
  198   3HB   ALA  26          3HB       ALA  26  10.311  -0.406   0.180
  199    H    ALA  27           H        ALA  27   7.602   2.325   0.127
  200    HA   ALA  27           HA       ALA  27   8.151   2.115  -2.673
  201   1HB   ALA  27          1HB       ALA  27   6.064   3.729  -1.186
  202   2HB   ALA  27          2HB       ALA  27   5.860   2.092  -1.816
  203   3HB   ALA  27          3HB       ALA  27   6.070   3.444  -2.923
  204    H    VAL  28           H        VAL  28   8.127   4.898  -0.424
  205    HA   VAL  28           HA       VAL  28   8.777   6.876  -2.379
  206    HB   VAL  28           HB       VAL  28   9.357   6.786   0.594
  207   1HG1  VAL  28          1HG1      VAL  28  10.759   8.473  -0.478
  208   2HG1  VAL  28          2HG1      VAL  28   9.455   9.271   0.385
  209   3HG1  VAL  28          3HG1      VAL  28   9.367   9.101  -1.359
  210   1HG2  VAL  28          1HG2      VAL  28   6.971   6.594   0.062
  211   2HG2  VAL  28          2HG2      VAL  28   7.081   7.991  -1.003
  212   3HG2  VAL  28          3HG2      VAL  28   7.309   8.192   0.732
  213    H    SER  29           H        SER  29  10.671   4.444  -0.808
  214    HA   SER  29           HA       SER  29  13.243   5.766  -1.317
  215   1HB   SER  29          2HB       SER  29  13.755   4.366   0.403
  216   2HB   SER  29          1HB       SER  29  12.222   3.534   0.195
  217    HG   SER  29           HG       SER  29  14.747   2.921  -0.783
  218    H    ASN  30           H        ASN  30  11.046   3.692  -2.942
  219    HA   ASN  30           HA       ASN  30  13.108   2.940  -4.980
  220   1HB   ASN  30          2HB       ASN  30  10.468   1.722  -4.146
  221   2HB   ASN  30          1HB       ASN  30  11.230   1.330  -5.681
  222   1HD2  ASN  30          1HD2      ASN  30  12.054   1.478  -2.174
  223   2HD2  ASN  30          2HD2      ASN  30  13.097   0.139  -2.215
  224    H    GLY  31           H        GLY  31  11.340   5.494  -4.436
  225   1HA   GLY  31          2HA       GLY  31  10.184   7.027  -5.774
  226   2HA   GLY  31          1HA       GLY  31  11.080   6.295  -7.108
  227    H    ILE  32           H        ILE  32   8.331   5.237  -5.009
  228    HA   ILE  32           HA       ILE  32   6.895   4.501  -7.543
  229    HB   ILE  32           HB       ILE  32   7.069   3.012  -4.936
  230   1HG1  ILE  32          2HG1      ILE  32   7.712   2.155  -7.757
  231   2HG1  ILE  32          1HG1      ILE  32   8.904   2.843  -6.662
  232   1HG2  ILE  32          1HG2      ILE  32   4.777   2.827  -5.644
  233   2HG2  ILE  32          2HG2      ILE  32   5.591   1.338  -6.125
  234   3HG2  ILE  32          3HG2      ILE  32   5.261   2.595  -7.323
  235   1HD1  ILE  32          1HD1      ILE  32   7.295   0.323  -6.198
  236   2HD1  ILE  32          2HD1      ILE  32   8.384   1.060  -5.027
  237   3HD1  ILE  32          3HD1      ILE  32   9.025   0.418  -6.536
  238    H    TYR  33           H        TYR  33   6.226   5.259  -4.083
  239    HA   TYR  33           HA       TYR  33   3.588   6.363  -4.995
  240   1HB   TYR  33          2HB       TYR  33   4.483   5.049  -2.451
  241   2HB   TYR  33          1HB       TYR  33   3.259   6.307  -2.328
  242    HD1  TYR  33           1HD      TYR  33   3.839   2.848  -3.049
  243    HD2  TYR  33           2HD      TYR  33   1.233   6.148  -3.917
  244    HE1  TYR  33           1HE      TYR  33   2.080   1.266  -3.787
  245    HE2  TYR  33           2HE      TYR  33  -0.525   4.565  -4.654
  246    HH   TYR  33           HH       TYR  33  -0.179   1.108  -4.201
  247    H    ASP  34           H        ASP  34   6.597   7.505  -4.518
  248    HA   ASP  34           HA       ASP  34   6.341   9.553  -2.610
  249   1HB   ASP  34          2HB       ASP  34   8.040  10.746  -4.148
  250   2HB   ASP  34          1HB       ASP  34   8.498   9.165  -3.514
  251    H    ILE  35           H        ILE  35   6.763  10.807  -5.756
  252    HA   ILE  35           HA       ILE  35   5.691  12.661  -6.792
  253    HB   ILE  35           HB       ILE  35   3.174  11.114  -6.128
  254   1HG1  ILE  35          2HG1      ILE  35   4.732   9.484  -6.995
  255   2HG1  ILE  35          1HG1      ILE  35   3.634   9.914  -8.308
  256   1HG2  ILE  35          1HG2      ILE  35   2.854  13.301  -7.187
  257   2HG2  ILE  35          2HG2      ILE  35   2.458  12.014  -8.321
  258   3HG2  ILE  35          3HG2      ILE  35   3.994  12.868  -8.458
  259   1HD1  ILE  35          1HD1      ILE  35   5.775   9.983  -9.305
  260   2HD1  ILE  35          2HD1      ILE  35   6.502  10.767  -7.908
  261   3HD1  ILE  35          3HD1      ILE  35   5.419  11.674  -8.958
  262    H    VAL  36           H        VAL  36   6.348  13.592  -4.445
  263    HA   VAL  36           HA       VAL  36   5.800  15.131  -2.776
  264    HB   VAL  36           HB       VAL  36   3.090  15.409  -4.086
  265   1HG1  VAL  36          1HG1      VAL  36   4.931  17.310  -2.612
  266   2HG1  VAL  36          2HG1      VAL  36   3.429  16.620  -1.989
  267   3HG1  VAL  36          3HG1      VAL  36   3.389  17.760  -3.340
  268   1HG2  VAL  36          1HG2      VAL  36   4.224  17.189  -5.489
  269   2HG2  VAL  36          2HG2      VAL  36   4.663  15.535  -5.914
  270   3HG2  VAL  36          3HG2      VAL  36   5.768  16.525  -4.963
  271    H    GLY  37           H        GLY  37   5.626  13.955  -0.897
  272   1HA   GLY  37          2HA       GLY  37   3.413  12.109  -0.435
  273   2HA   GLY  37          1HA       GLY  37   4.667  12.534   0.721
  274    H    ASP  38           H        ASP  38   1.462  12.646   0.423
  275    HA   ASP  38           HA       ASP  38   0.845  15.392   1.073
  276   1HB   ASP  38          2HB       ASP  38  -0.677  12.796   1.311
  277   2HB   ASP  38          1HB       ASP  38  -1.361  14.322   1.876
  278    H    CYS  39           H        CYS  39   0.260  12.582   3.235
  279    HA   CYS  39           HA       CYS  39   0.861  14.359   5.538
  280   1HB   CYS  39          2HB       CYS  39  -0.312  12.831   6.889
  281   2HB   CYS  39          1HB       CYS  39  -1.211  12.835   5.377
  282    H    GLY  40           H        GLY  40   2.502  12.109   3.630
  283   1HA   GLY  40          2HA       GLY  40   4.694  11.279   3.884
  284   2HA   GLY  40          1HA       GLY  40   4.797  12.162   5.401
  285    H    GLY  41           H        GLY  41   2.097  10.046   5.033
  286   1HA   GLY  41          2HA       GLY  41   1.778   7.803   5.780
  287   2HA   GLY  41          1HA       GLY  41   3.463   7.750   6.293
  288    H    SER  42           H        SER  42   0.354   9.278   7.119
  289    HA   SER  42           HA       SER  42   0.949   8.853   9.993
  290   1HB   SER  42          2HB       SER  42   1.584  11.090  10.010
  291   2HB   SER  42          1HB       SER  42   0.579  11.489   8.623
  292    HG   SER  42           HG       SER  42  -0.607  12.295  10.202
  293    H    ALA  43           H        ALA  43  -0.997   8.147   7.582
  294    HA   ALA  43           HA       ALA  43  -3.245   7.499   7.430
  295   1HB   ALA  43          1HB       ALA  43  -4.275   6.695   9.386
  296   2HB   ALA  43          2HB       ALA  43  -3.474   7.883  10.414
  297   3HB   ALA  43          3HB       ALA  43  -2.557   6.535   9.741
  298    H    SER  44           H        SER  44  -2.941  10.050   6.696
  299    HA   SER  44           HA       SER  44  -5.381  11.355   7.757
  300   1HB   SER  44          2HB       SER  44  -4.351  13.339   8.439
  301   2HB   SER  44          1HB       SER  44  -3.172  12.138   8.958
  302    HG   SER  44           HG       SER  44  -3.153  13.639   6.547
  303    H    CYS  45           H        CYS  45  -4.246  10.131   5.161
  304    HA   CYS  45           HA       CYS  45  -5.417  12.158   3.415
  305   1HB   CYS  45          2HB       CYS  45  -3.548  12.745   2.138
  306   2HB   CYS  45          1HB       CYS  45  -2.864  12.681   3.759
  307    H    ALA  46           H        ALA  46  -5.596  11.323   1.158
  308    HA   ALA  46           HA       ALA  46  -5.913   8.353   1.190
  309   1HB   ALA  46          1HB       ALA  46  -6.996  10.310  -0.840
  310   2HB   ALA  46          2HB       ALA  46  -7.860   9.901   0.637
  311   3HB   ALA  46          3HB       ALA  46  -7.512   8.652  -0.547
  312    H    THR  47           H        THR  47  -3.505  10.342   0.436
  313    HA   THR  47           HA       THR  47  -2.890   9.905  -2.293
  314    HB   THR  47           HB       THR  47  -0.812   9.968  -0.103
  315    HG1  THR  47           1HG      THR  47  -2.621  11.585   0.002
  316   1HG2  THR  47          1HG2      THR  47  -0.899  11.142  -2.893
  317   2HG2  THR  47          2HG2      THR  47  -0.066   9.654  -2.446
  318   3HG2  THR  47          3HG2      THR  47   0.471  11.199  -1.785
  319    H    CYS  48           H        CYS  48  -2.654   7.819   0.471
  320    HA   CYS  48           HA       CYS  48  -1.054   5.800  -0.969
  321   1HB   CYS  48          2HB       CYS  48  -1.441   4.548   1.245
  322   2HB   CYS  48          1HB       CYS  48  -0.446   6.003   1.293
  323    H    HIS  49           H        HIS  49  -3.627   6.348  -2.124
  324    HA   HIS  49           HA       HIS  49  -5.550   4.312  -1.290
  325   1HB   HIS  49          2HB       HIS  49  -6.270   6.375  -2.432
  326   2HB   HIS  49          1HB       HIS  49  -5.273   5.976  -3.803
  327    HD1  HIS  49           1HD      HIS  49  -7.548   3.480  -2.041
  328    HD2  HIS  49           2HD      HIS  49  -7.346   5.583  -5.640
  329    HE1  HIS  49           1HE      HIS  49  -9.402   2.561  -3.541
  330    HE2  HIS  49           2HE      HIS  49  -9.278   3.847  -5.708
  331    H    VAL  50           H        VAL  50  -4.881   2.137  -1.557
  332    HA   VAL  50           HA       VAL  50  -4.124   1.350  -4.319
  333    HB   VAL  50           HB       VAL  50  -2.037   0.483  -3.846
  334   1HG1  VAL  50          1HG1      VAL  50  -2.297   2.465  -1.571
  335   2HG1  VAL  50          2HG1      VAL  50  -1.951   2.885  -3.245
  336   3HG1  VAL  50          3HG1      VAL  50  -0.796   1.933  -2.318
  337   1HG2  VAL  50          1HG2      VAL  50  -2.637  -1.194  -2.233
  338   2HG2  VAL  50          2HG2      VAL  50  -3.025   0.025  -1.013
  339   3HG2  VAL  50          3HG2      VAL  50  -1.350  -0.237  -1.499
  340    H    TYR  51           H        TYR  51  -3.962  -1.170  -4.333
  341    HA   TYR  51           HA       TYR  51  -6.139  -2.276  -2.609
  342   1HB   TYR  51          2HB       TYR  51  -5.493  -2.705  -5.518
  343   2HB   TYR  51          1HB       TYR  51  -6.725  -3.588  -4.642
  344    HD1  TYR  51           1HD      TYR  51  -8.567  -2.146  -3.425
  345    HD2  TYR  51           2HD      TYR  51  -5.939  -0.608  -6.466
  346    HE1  TYR  51           1HE      TYR  51 -10.064  -0.209  -3.761
  347    HE2  TYR  51           2HE      TYR  51  -7.454   1.286  -6.782
  348    HH   TYR  51           HH       TYR  51 -10.479   1.603  -5.037
  349    H    VAL  52           H        VAL  52  -5.296  -3.668  -1.322
  350    HA   VAL  52           HA       VAL  52  -2.785  -5.137  -1.929
  351    HB   VAL  52           HB       VAL  52  -4.468  -5.171   0.586
  352   1HG1  VAL  52          1HG1      VAL  52  -3.278  -7.230   0.475
  353   2HG1  VAL  52          2HG1      VAL  52  -2.317  -6.188   1.523
  354   3HG1  VAL  52          3HG1      VAL  52  -1.835  -6.443  -0.152
  355   1HG2  VAL  52          1HG2      VAL  52  -1.721  -3.950   0.281
  356   2HG2  VAL  52          2HG2      VAL  52  -2.946  -3.622   1.511
  357   3HG2  VAL  52          3HG2      VAL  52  -3.158  -3.016  -0.125
  358    H    ASN  53           H        ASN  53  -2.734  -7.255  -2.505
  359    HA   ASN  53           HA       ASN  53  -5.051  -8.605  -3.390
  360   1HB   ASN  53          2HB       ASN  53  -3.011  -9.458  -4.179
  361   2HB   ASN  53          1HB       ASN  53  -2.316  -9.566  -2.562
  362   1HD2  ASN  53          1HD2      ASN  53  -1.865 -11.874  -3.427
  363   2HD2  ASN  53          2HD2      ASN  53  -3.079 -13.039  -3.181
  364    H    GLU  54           H        GLU  54  -6.724  -9.332  -2.232
  365    HA   GLU  54           HA       GLU  54  -7.093  -9.167   0.485
  366   1HB   GLU  54          2HB       GLU  54  -8.864 -10.932   0.214
  367   2HB   GLU  54          1HB       GLU  54  -8.952  -9.625  -0.957
  368   1HG   GLU  54          2HG       GLU  54  -7.441 -12.181  -1.537
  369   2HG   GLU  54          1HG       GLU  54  -9.167 -12.034  -1.857
  370    H    ALA  55           H        ALA  55  -4.772 -11.194  -0.807
  371    HA   ALA  55           HA       ALA  55  -5.140 -13.388   1.116
  372   1HB   ALA  55          1HB       ALA  55  -3.004 -12.791  -0.937
  373   2HB   ALA  55          2HB       ALA  55  -4.276 -14.009  -1.036
  374   3HB   ALA  55          3HB       ALA  55  -2.959 -14.194   0.118
  375    H    PHE  56           H        PHE  56  -3.480 -10.280   1.175
  376    HA   PHE  56           HA       PHE  56  -1.815 -11.204   3.483
  377   1HB   PHE  56          2HB       PHE  56  -1.507  -9.033   1.413
  378   2HB   PHE  56          1HB       PHE  56  -0.471  -9.166   2.844
  379    HD1  PHE  56           1HD      PHE  56  -1.472 -10.829  -0.317
  380    HD2  PHE  56           2HD      PHE  56   1.152 -10.924   3.045
  381    HE1  PHE  56           1HE      PHE  56  -0.111 -12.590  -1.419
  382    HE2  PHE  56           2HE      PHE  56   2.511 -12.669   1.996
  383    HZ   PHE  56           HZ       PHE  56   1.884 -13.511  -0.265
  384    H    THR  57           H        THR  57  -4.544  -9.528   2.509
  385    HA   THR  57           HA       THR  57  -4.487  -7.243   4.274
  386    HB   THR  57           HB       THR  57  -7.016  -7.297   3.926
  387    HG1  THR  57           1HG      THR  57  -6.192  -9.613   2.571
  388   1HG2  THR  57          1HG2      THR  57  -5.361  -6.085   2.472
  389   2HG2  THR  57          2HG2      THR  57  -6.863  -6.533   1.672
  390   3HG2  THR  57          3HG2      THR  57  -5.400  -7.473   1.382
  391    H    ASP  58           H        ASP  58  -5.825 -10.538   4.607
  392    HA   ASP  58           HA       ASP  58  -6.850  -9.910   7.291
  393   1HB   ASP  58          2HB       ASP  58  -7.714 -12.179   7.284
  394   2HB   ASP  58          1HB       ASP  58  -8.052 -11.454   5.711
  395    H    LYS  59           H        LYS  59  -3.864 -10.549   6.112
  396    HA   LYS  59           HA       LYS  59  -3.012 -12.113   8.513
  397   1HB   LYS  59          2HB       LYS  59  -1.206 -11.555   6.178
  398   2HB   LYS  59          1HB       LYS  59  -1.264 -12.956   7.256
  399   1HG   LYS  59          2HG       LYS  59  -3.552 -13.472   6.235
  400   2HG   LYS  59          1HG       LYS  59  -3.184 -12.248   5.014
  401   1HD   LYS  59          2HD       LYS  59  -2.622 -14.519   4.216
  402   2HD   LYS  59          1HD       LYS  59  -1.182 -13.512   4.331
  403   1HE   LYS  59          2HE       LYS  59  -0.328 -14.740   6.112
  404   2HE   LYS  59          1HE       LYS  59  -1.927 -15.211   6.690
  405   1HZ   LYS  59          1HZ       LYS  59  -2.021 -16.460   4.433
  406   2HZ   LYS  59          2HZ       LYS  59  -1.182 -17.144   5.747
  407   3HZ   LYS  59          3HZ       LYS  59  -0.329 -16.355   4.507
  408    H    VAL  60           H        VAL  60  -2.289  -9.208   6.600
  409    HA   VAL  60           HA       VAL  60  -0.328  -8.256   8.538
  410    HB   VAL  60           HB       VAL  60  -0.977  -7.696   5.876
  411   1HG1  VAL  60          1HG1      VAL  60  -2.715  -6.137   6.466
  412   2HG1  VAL  60          2HG1      VAL  60  -1.364  -5.286   5.729
  413   3HG1  VAL  60          3HG1      VAL  60  -1.599  -5.217   7.472
  414   1HG2  VAL  60          1HG2      VAL  60   1.197  -7.044   7.642
  415   2HG2  VAL  60          2HG2      VAL  60   0.822  -5.631   6.677
  416   3HG2  VAL  60          3HG2      VAL  60   1.208  -7.156   5.886
  417    HA   PRO  61           HA       PRO  61  -2.964  -6.431  11.469
  418   1HB   PRO  61          2HB       PRO  61  -2.054  -3.754  11.670
  419   2HB   PRO  61          1HB       PRO  61  -1.465  -5.148  12.596
  420   1HG   PRO  61          2HG       PRO  61  -0.245  -3.775  10.300
  421   2HG   PRO  61          1HG       PRO  61   0.510  -4.793  11.529
  422   1HD   PRO  61          2HD       PRO  61   0.040  -5.559   8.906
  423   2HD   PRO  61          1HD       PRO  61   0.329  -6.688  10.224
  424    H    ALA  62           H        ALA  62  -5.016  -6.156  11.029
  425    HA   ALA  62           HA       ALA  62  -6.300  -5.033   8.916
  426   1HB   ALA  62          1HB       ALA  62  -8.273  -4.841  10.391
  427   2HB   ALA  62          2HB       ALA  62  -7.228  -5.052  11.794
  428   3HB   ALA  62          3HB       ALA  62  -7.427  -6.369  10.638
  429    H    ALA  63           H        ALA  63  -7.069  -3.123   8.404
  430    HA   ALA  63           HA       ALA  63  -5.719  -0.736   9.297
  431   1HB   ALA  63          1HB       ALA  63  -7.092   0.448   7.709
  432   2HB   ALA  63          2HB       ALA  63  -8.266  -0.866   7.672
  433   3HB   ALA  63          3HB       ALA  63  -6.664  -1.095   6.977
  434    H    ASN  64           H        ASN  64  -6.281   0.639  10.876
  435    HA   ASN  64           HA       ASN  64  -8.527  -0.001  12.601
  436   1HB   ASN  64          2HB       ASN  64  -7.908   1.999  13.897
  437   2HB   ASN  64          1HB       ASN  64  -6.508   0.992  13.565
  438   1HD2  ASN  64          1HD2      ASN  64  -4.722   2.140  12.782
  439   2HD2  ASN  64          2HD2      ASN  64  -4.808   3.630  11.975
  440    H    GLU  65           H        GLU  65 -10.023   1.835  13.292
  441    HA   GLU  65           HA       GLU  65 -11.757   2.430  11.107
  442   1HB   GLU  65          2HB       GLU  65 -13.078   3.684  12.731
  443   2HB   GLU  65          1HB       GLU  65 -12.519   2.170  13.437
  444   1HG   GLU  65          2HG       GLU  65 -10.573   3.445  14.422
  445   2HG   GLU  65          1HG       GLU  65 -11.347   4.931  13.871
  446    H    ARG  66           H        ARG  66  -8.931   4.188  12.064
  447    HA   ARG  66           HA       ARG  66  -9.933   6.804  11.385
  448   1HB   ARG  66          2HB       ARG  66  -7.051   5.895  11.251
  449   2HB   ARG  66          1HB       ARG  66  -7.664   7.502  11.583
  450   1HG   ARG  66          2HG       ARG  66  -8.428   6.909  13.755
  451   2HG   ARG  66          1HG       ARG  66  -8.277   5.187  13.429
  452   1HD   ARG  66          2HD       ARG  66  -6.410   5.761  14.788
  453   2HD   ARG  66          1HD       ARG  66  -5.776   5.585  13.154
  454    HE   ARG  66           HE       ARG  66  -6.536   8.329  13.702
  455   1HH1  ARG  66          1HH2      ARG  66  -4.149   5.871  14.069
  456   2HH1  ARG  66          2HH2      ARG  66  -2.863   6.977  14.411
  457   1HH2  ARG  66          1HH1      ARG  66  -4.869   9.794  14.173
  458   2HH2  ARG  66          2HH1      ARG  66  -3.268   9.201  14.466
  459    H    GLU  67           H        GLU  67  -8.194   4.267   9.620
  460    HA   GLU  67           HA       GLU  67  -7.913   5.827   7.196
  461   1HB   GLU  67          2HB       GLU  67  -7.774   2.821   7.557
  462   2HB   GLU  67          1HB       GLU  67  -7.170   3.730   6.184
  463   1HG   GLU  67          2HG       GLU  67  -5.237   3.418   7.494
  464   2HG   GLU  67          1HG       GLU  67  -5.755   5.046   7.926
  465    H    ILE  68           H        ILE  68 -10.283   3.461   8.380
  466    HA   ILE  68           HA       ILE  68 -11.693   2.941   6.007
  467    HB   ILE  68           HB       ILE  68 -12.934   3.514   8.705
  468   1HG1  ILE  68          2HG1      ILE  68 -11.136   1.875   8.943
  469   2HG1  ILE  68          1HG1      ILE  68 -12.690   1.058   9.074
  470   1HG2  ILE  68          1HG2      ILE  68 -14.608   1.802   7.850
  471   2HG2  ILE  68          2HG2      ILE  68 -13.854   1.983   6.266
  472   3HG2  ILE  68          3HG2      ILE  68 -14.638   3.365   7.034
  473   1HD1  ILE  68          1HD1      ILE  68 -10.695   0.992   6.825
  474   2HD1  ILE  68          2HD1      ILE  68 -12.395   0.666   6.491
  475   3HD1  ILE  68          3HD1      ILE  68 -11.512  -0.347   7.632
  476    H    GLY  69           H        GLY  69 -11.731   5.784   8.060
  477   1HA   GLY  69          2HA       GLY  69 -13.886   7.096   6.596
  478   2HA   GLY  69          1HA       GLY  69 -12.851   7.866   7.788
  479    H    MET  70           H        MET  70 -10.346   7.056   6.319
  480    HA   MET  70           HA       MET  70 -10.362   9.283   4.382
  481   1HB   MET  70          2HB       MET  70  -8.255   7.437   5.522
  482   2HB   MET  70          1HB       MET  70  -7.902   8.419   4.103
  483   1HG   MET  70          2HG       MET  70  -7.195   9.647   6.067
  484   2HG   MET  70          1HG       MET  70  -8.616  10.447   5.397
  485   1HE   MET  70          1HE       MET  70  -8.008   8.764   9.510
  486   2HE   MET  70          2HE       MET  70  -6.915   9.558   8.383
  487   3HE   MET  70          3HE       MET  70  -7.346   7.866   8.139
  488    H    LEU  71           H        LEU  71 -10.280   5.792   4.484
  489    HA   LEU  71           HA       LEU  71  -9.664   5.266   1.740
  490   1HB   LEU  71          2HB       LEU  71 -11.063   3.802   3.955
  491   2HB   LEU  71          1HB       LEU  71 -11.123   3.130   2.333
  492    HG   LEU  71           HG       LEU  71  -8.446   3.978   3.433
  493   1HD1  LEU  71          1HD1      LEU  71  -9.835   1.363   4.104
  494   2HD1  LEU  71          2HD1      LEU  71  -9.431   2.636   5.251
  495   3HD1  LEU  71          3HD1      LEU  71  -8.147   1.739   4.443
  496   1HD2  LEU  71          1HD2      LEU  71  -7.646   2.145   2.037
  497   2HD2  LEU  71          2HD2      LEU  71  -8.723   3.150   1.073
  498   3HD2  LEU  71          3HD2      LEU  71  -9.292   1.613   1.736
  499    H    GLU  72           H        GLU  72 -12.664   6.146   3.400
  500    HA   GLU  72           HA       GLU  72 -14.358   5.651   1.081
  501   1HB   GLU  72          2HB       GLU  72 -15.269   5.625   3.359
  502   2HB   GLU  72          1HB       GLU  72 -14.758   7.294   3.623
  503   1HG   GLU  72          2HG       GLU  72 -16.352   8.130   2.057
  504   2HG   GLU  72          1HG       GLU  72 -16.636   6.532   1.372
  505    H    CYS  73           H        CYS  73 -11.956   7.777   1.666
  506    HA   CYS  73           HA       CYS  73 -13.188  10.025   0.100
  507   1HB   CYS  73          2HB       CYS  73 -11.669   9.986   2.505
  508   2HB   CYS  73          1HB       CYS  73 -10.641  10.740   1.293
  509    HG   CYS  73           HG       CYS  73 -13.501  11.795   2.009
  510    H    VAL  74           H        VAL  74 -11.546   7.384  -0.796
  511    HA   VAL  74           HA       VAL  74  -9.238   8.558  -2.083
  512    HB   VAL  74           HB       VAL  74  -9.058   6.367  -3.201
  513   1HG1  VAL  74          1HG1      VAL  74  -9.076   4.981  -1.038
  514   2HG1  VAL  74          2HG1      VAL  74  -9.694   6.431  -0.251
  515   3HG1  VAL  74          3HG1      VAL  74  -8.110   6.453  -1.016
  516   1HG2  VAL  74          1HG2      VAL  74 -11.531   6.036  -3.510
  517   2HG2  VAL  74          2HG2      VAL  74 -11.659   5.746  -1.779
  518   3HG2  VAL  74          3HG2      VAL  74 -10.731   4.644  -2.791
  519    H    THR  75           H        THR  75  -8.916   8.448  -4.441
  520    HA   THR  75           HA       THR  75 -11.102   9.829  -5.803
  521    HB   THR  75           HB       THR  75  -9.051   9.413  -7.673
  522    HG1  THR  75           1HG      THR  75  -7.634   8.528  -6.324
  523   1HG2  THR  75          1HG2      THR  75  -8.311  11.712  -7.003
  524   2HG2  THR  75          2HG2      THR  75  -9.416  11.617  -5.625
  525   3HG2  THR  75          3HG2      THR  75 -10.046  11.577  -7.280
  526    H    ALA  76           H        ALA  76  -9.662   6.559  -5.983
  527    HA   ALA  76           HA       ALA  76 -11.350   6.009  -8.382
  528   1HB   ALA  76          1HB       ALA  76  -8.907   4.769  -7.191
  529   2HB   ALA  76          2HB       ALA  76  -9.272   5.133  -8.875
  530   3HB   ALA  76          3HB       ALA  76  -9.994   3.720  -8.104
  531    H    GLU  77           H        GLU  77 -12.044   3.461  -8.239
  532    HA   GLU  77           HA       GLU  77 -14.255   3.411  -6.467
  533   1HB   GLU  77          2HB       GLU  77 -14.688   2.069  -8.274
  534   2HB   GLU  77          1HB       GLU  77 -12.984   1.702  -8.495
  535   1HG   GLU  77          2HG       GLU  77 -13.065  -0.075  -6.877
  536   2HG   GLU  77          1HG       GLU  77 -14.646   0.439  -6.289
  537    H    LEU  78           H        LEU  78 -14.295   2.813  -4.301
  538    HA   LEU  78           HA       LEU  78 -11.891   1.544  -3.167
  539   1HB   LEU  78          2HB       LEU  78 -13.378   3.337  -1.999
  540   2HB   LEU  78          1HB       LEU  78 -14.465   1.996  -1.653
  541    HG   LEU  78           HG       LEU  78 -12.329   0.778  -0.763
  542   1HD1  LEU  78          1HD1      LEU  78 -10.722   2.462   0.210
  543   2HD1  LEU  78          2HD1      LEU  78 -11.422   3.651  -0.841
  544   3HD1  LEU  78          3HD1      LEU  78 -10.599   2.254  -1.511
  545   1HD2  LEU  78          1HD2      LEU  78 -12.700   1.659   1.447
  546   2HD2  LEU  78          2HD2      LEU  78 -14.253   1.675   0.613
  547   3HD2  LEU  78          3HD2      LEU  78 -13.336   3.171   0.804
  548    H    LYS  79           H        LYS  79 -11.680  -0.397  -2.461
  549    HA   LYS  79           HA       LYS  79 -13.669  -2.430  -3.311
  550   1HB   LYS  79          2HB       LYS  79 -10.724  -2.343  -2.690
  551   2HB   LYS  79          1HB       LYS  79 -11.556  -3.880  -2.936
  552   1HG   LYS  79          2HG       LYS  79 -11.735  -1.665  -4.973
  553   2HG   LYS  79          1HG       LYS  79 -10.360  -2.757  -4.966
  554   1HD   LYS  79          2HD       LYS  79 -13.093  -3.993  -4.889
  555   2HD   LYS  79          1HD       LYS  79 -12.547  -3.299  -6.409
  556   1HE   LYS  79          2HE       LYS  79 -10.933  -5.298  -4.805
  557   2HE   LYS  79          1HE       LYS  79 -11.993  -5.739  -6.146
  558   1HZ   LYS  79          1HZ       LYS  79 -10.254  -3.582  -6.828
  559   2HZ   LYS  79          2HZ       LYS  79 -10.494  -5.065  -7.619
  560   3HZ   LYS  79          3HZ       LYS  79  -9.381  -4.953  -6.337
  561    HA   PRO  80           HA       PRO  80 -14.638  -3.307   0.936
  562   1HB   PRO  80          2HB       PRO  80 -14.432  -6.115   0.953
  563   2HB   PRO  80          1HB       PRO  80 -15.873  -5.199   0.475
  564   1HG   PRO  80          2HG       PRO  80 -13.766  -6.444  -1.222
  565   2HG   PRO  80          1HG       PRO  80 -15.510  -6.306  -1.507
  566   1HD   PRO  80          2HD       PRO  80 -13.739  -4.706  -2.778
  567   2HD   PRO  80          1HD       PRO  80 -15.344  -4.108  -2.289
  568    H    ASN  81           H        ASN  81 -11.807  -4.713  -0.553
  569    HA   ASN  81           HA       ASN  81 -10.423  -4.858   2.088
  570   1HB   ASN  81          2HB       ASN  81  -9.248  -6.664   1.303
  571   2HB   ASN  81          1HB       ASN  81 -10.564  -6.779   0.142
  572   1HD2  ASN  81          1HD2      ASN  81 -10.111  -6.093  -2.088
  573   2HD2  ASN  81          2HD2      ASN  81  -8.525  -5.831  -2.618
  574    H    SER  82           H        SER  82 -10.873  -2.316   0.301
  575    HA   SER  82           HA       SER  82  -8.385  -1.600  -0.843
  576   1HB   SER  82          2HB       SER  82 -10.525   0.075   0.473
  577   2HB   SER  82          1HB       SER  82  -9.150   0.747  -0.394
  578    HG   SER  82           HG       SER  82 -10.290   0.434  -2.102
  579    H    ARG  83           H        ARG  83  -6.576  -0.663   0.072
  580    HA   ARG  83           HA       ARG  83  -6.516  -0.353   3.068
  581   1HB   ARG  83          2HB       ARG  83  -4.582  -1.877   1.316
  582   2HB   ARG  83          1HB       ARG  83  -4.203  -1.398   2.963
  583   1HG   ARG  83          2HG       ARG  83  -6.691  -2.973   2.273
  584   2HG   ARG  83          1HG       ARG  83  -5.158  -3.762   2.605
  585   1HD   ARG  83          2HD       ARG  83  -5.468  -1.980   4.761
  586   2HD   ARG  83          1HD       ARG  83  -7.082  -2.632   4.503
  587    HE   ARG  83           HE       ARG  83  -5.590  -4.881   4.404
  588   1HH1  ARG  83          1HH2      ARG  83  -5.455  -2.195   6.544
  589   2HH1  ARG  83          2HH2      ARG  83  -5.051  -3.145   7.927
  590   1HH2  ARG  83          1HH1      ARG  83  -5.063  -6.144   6.195
  591   2HH2  ARG  83          2HH1      ARG  83  -4.814  -5.380   7.731
  592    H    LEU  84           H        LEU  84  -4.488   0.738   3.773
  593    HA   LEU  84           HA       LEU  84  -3.680   2.874   1.822
  594   1HB   LEU  84          2HB       LEU  84  -3.820   2.993   4.856
  595   2HB   LEU  84          1HB       LEU  84  -3.236   4.290   3.821
  596    HG   LEU  84           HG       LEU  84  -6.055   3.186   3.990
  597   1HD1  LEU  84          1HD1      LEU  84  -5.005   6.013   4.292
  598   2HD1  LEU  84          2HD1      LEU  84  -5.232   4.913   5.652
  599   3HD1  LEU  84          3HD1      LEU  84  -6.620   5.427   4.687
  600   1HD2  LEU  84          1HD2      LEU  84  -6.481   5.099   2.249
  601   2HD2  LEU  84          2HD2      LEU  84  -5.860   3.562   1.664
  602   3HD2  LEU  84          3HD2      LEU  84  -4.771   4.924   1.879
  603    H    CYS  85           H        CYS  85  -1.671   2.761   1.192
  604    HA   CYS  85           HA       CYS  85   0.144   0.761   2.003
  605   1HB   CYS  85          2HB       CYS  85   0.108   1.977  -0.171
  606   2HB   CYS  85          1HB       CYS  85   0.808   3.374   0.634
  607    HG   CYS  85           HG       CYS  85   2.872   2.116  -0.151
  608    H    CYS  86           H        CYS  86  -0.645   3.371   3.956
  609    HA   CYS  86           HA       CYS  86   2.169   3.641   4.979
  610   1HB   CYS  86          2HB       CYS  86   1.273   5.583   6.269
  611   2HB   CYS  86          1HB       CYS  86   1.190   5.784   4.528
  612    H    GLN  87           H        GLN  87  -1.087   2.636   5.993
  613    HA   GLN  87           HA       GLN  87  -0.073   2.160   8.749
  614   1HB   GLN  87          2HB       GLN  87  -2.513   2.997   7.866
  615   2HB   GLN  87          1HB       GLN  87  -2.827   1.270   7.997
  616   1HG   GLN  87          2HG       GLN  87  -1.790   3.098  10.196
  617   2HG   GLN  87          1HG       GLN  87  -3.383   2.343  10.119
  618   1HE2  GLN  87          1HE2      GLN  87  -0.249   1.947  11.371
  619   2HE2  GLN  87          2HE2      GLN  87  -0.335   0.289  11.728
  620    H    ILE  88           H        ILE  88   0.373   0.583   6.041
  621    HA   ILE  88           HA       ILE  88  -0.254  -2.166   7.069
  622    HB   ILE  88           HB       ILE  88   0.257  -1.001   4.340
  623   1HG1  ILE  88          2HG1      ILE  88  -1.805  -2.018   3.763
  624   2HG1  ILE  88          1HG1      ILE  88  -1.747  -3.125   5.124
  625   1HG2  ILE  88          1HG2      ILE  88   0.299  -3.452   3.537
  626   2HG2  ILE  88          2HG2      ILE  88   0.723  -3.849   5.202
  627   3HG2  ILE  88          3HG2      ILE  88   1.775  -2.810   4.254
  628   1HD1  ILE  88          1HD1      ILE  88  -2.422  -1.488   6.660
  629   2HD1  ILE  88          2HD1      ILE  88  -3.364  -1.089   5.228
  630   3HD1  ILE  88          3HD1      ILE  88  -1.926  -0.164   5.611
  631    H    ILE  89           H        ILE  89   1.377  -3.131   8.162
  632    HA   ILE  89           HA       ILE  89   4.193  -2.259   7.804
  633    HB   ILE  89           HB       ILE  89   2.990  -4.189   9.797
  634   1HG1  ILE  89          2HG1      ILE  89   1.987  -1.996  10.116
  635   2HG1  ILE  89          1HG1      ILE  89   3.158  -2.278  11.399
  636   1HG2  ILE  89          1HG2      ILE  89   5.075  -3.669  11.073
  637   2HG2  ILE  89          2HG2      ILE  89   5.668  -2.783   9.670
  638   3HG2  ILE  89          3HG2      ILE  89   5.389  -4.521   9.562
  639   1HD1  ILE  89          1HD1      ILE  89   4.831  -1.040   9.808
  640   2HD1  ILE  89          2HD1      ILE  89   3.662  -0.094  10.723
  641   3HD1  ILE  89          3HD1      ILE  89   3.368  -0.445   9.024
  642    H    MET  90           H        MET  90   5.560  -3.470   6.517
  643    HA   MET  90           HA       MET  90   4.725  -6.075   5.578
  644   1HB   MET  90          2HB       MET  90   6.263  -4.236   4.425
  645   2HB   MET  90          1HB       MET  90   7.552  -5.156   5.205
  646   1HG   MET  90          2HG       MET  90   7.204  -6.154   3.042
  647   2HG   MET  90          1HG       MET  90   6.506  -7.240   4.227
  648   1HE   MET  90          1HE       MET  90   4.405  -8.015   4.344
  649   2HE   MET  90          2HE       MET  90   4.556  -8.474   2.656
  650   3HE   MET  90          3HE       MET  90   3.062  -7.733   3.231
  651    H    THR  91           H        THR  91   5.843  -8.039   5.861
  652    HA   THR  91           HA       THR  91   7.821  -8.303   8.016
  653    HB   THR  91           HB       THR  91   6.334 -10.142   9.066
  654    HG1  THR  91           1HG      THR  91   4.060  -9.538   8.785
  655   1HG2  THR  91          1HG2      THR  91   6.864  -7.931  10.106
  656   2HG2  THR  91          2HG2      THR  91   5.294  -8.581  10.569
  657   3HG2  THR  91          3HG2      THR  91   5.393  -7.290   9.374
  658    HA   PRO  92           HA       PRO  92   9.233 -11.420   5.242
  659   1HB   PRO  92          2HB       PRO  92  10.028 -13.408   7.066
  660   2HB   PRO  92          1HB       PRO  92  11.020 -12.043   6.529
  661   1HG   PRO  92          2HG       PRO  92   9.436 -12.374   9.036
  662   2HG   PRO  92          1HG       PRO  92  10.981 -11.544   8.776
  663   1HD   PRO  92          2HD       PRO  92   8.662 -10.183   9.075
  664   2HD   PRO  92          1HD       PRO  92   9.960  -9.593   8.011
  665    H    GLU  93           H        GLU  93   7.221 -12.749   7.889
  666    HA   GLU  93           HA       GLU  93   6.460 -15.144   6.567
  667   1HB   GLU  93          2HB       GLU  93   4.236 -14.715   7.992
  668   2HB   GLU  93          1HB       GLU  93   5.751 -15.139   8.783
  669   1HG   GLU  93          2HG       GLU  93   6.200 -12.879   9.373
  670   2HG   GLU  93          1HG       GLU  93   4.960 -12.265   8.282
  671    H    LEU  94           H        LEU  94   5.252 -11.869   6.278
  672    HA   LEU  94           HA       LEU  94   3.091 -12.654   4.435
  673   1HB   LEU  94          2HB       LEU  94   4.079  -9.971   5.416
  674   2HB   LEU  94          1HB       LEU  94   2.634 -10.177   4.467
  675    HG   LEU  94           HG       LEU  94   3.199 -11.121   7.276
  676   1HD1  LEU  94          1HD1      LEU  94   2.347  -8.852   6.914
  677   2HD1  LEU  94          2HD1      LEU  94   1.178  -9.853   7.769
  678   3HD1  LEU  94          3HD1      LEU  94   0.949  -9.509   6.051
  679   1HD2  LEU  94          1HD2      LEU  94   1.032 -12.067   5.388
  680   2HD2  LEU  94          2HD2      LEU  94   0.829 -12.096   7.139
  681   3HD2  LEU  94          3HD2      LEU  94   2.106 -13.041   6.399
  682    H    ASP  95           H        ASP  95   6.205 -12.688   3.926
  683    HA   ASP  95           HA       ASP  95   6.785 -10.938   1.800
  684   1HB   ASP  95          2HB       ASP  95   8.435 -12.678   1.105
  685   2HB   ASP  95          1HB       ASP  95   8.479 -12.363   2.843
  686    H    GLY  96           H        GLY  96   6.291 -10.926  -0.339
  687   1HA   GLY  96          2HA       GLY  96   5.726 -12.040  -2.444
  688   2HA   GLY  96          1HA       GLY  96   4.738 -13.178  -1.522
  689    H    ILE  97           H        ILE  97   4.267 -10.266  -0.110
  690    HA   ILE  97           HA       ILE  97   1.573 -10.102  -0.847
  691    HB   ILE  97           HB       ILE  97   2.590  -9.055   1.156
  692   1HG1  ILE  97          2HG1      ILE  97   0.284  -8.552   0.237
  693   2HG1  ILE  97          1HG1      ILE  97   0.940  -7.385   1.361
  694   1HG2  ILE  97          1HG2      ILE  97   3.345  -6.644   0.854
  695   2HG2  ILE  97          2HG2      ILE  97   3.554  -7.000  -0.838
  696   3HG2  ILE  97          3HG2      ILE  97   4.492  -7.885   0.353
  697   1HD1  ILE  97          1HD1      ILE  97   0.416  -5.830  -0.145
  698   2HD1  ILE  97          2HD1      ILE  97   0.052  -7.047  -1.363
  699   3HD1  ILE  97          3HD1      ILE  97   1.695  -6.452  -1.187
  700    H    VAL  98           H        VAL  98   0.399  -9.261  -2.436
  701    HA   VAL  98           HA       VAL  98   1.833  -7.788  -4.609
  702    HB   VAL  98           HB       VAL  98  -0.859  -9.130  -4.809
  703   1HG1  VAL  98          1HG1      VAL  98  -0.261  -7.627  -6.639
  704   2HG1  VAL  98          2HG1      VAL  98  -0.176  -9.294  -7.201
  705   3HG1  VAL  98          3HG1      VAL  98   1.304  -8.420  -6.810
  706   1HG2  VAL  98          1HG2      VAL  98   0.673 -10.839  -3.994
  707   2HG2  VAL  98          2HG2      VAL  98   1.900 -10.342  -5.163
  708   3HG2  VAL  98          3HG2      VAL  98   0.413 -11.106  -5.717
  709    H    VAL  99           H        VAL  99   1.417  -5.622  -4.677
  710    HA   VAL  99           HA       VAL  99  -1.119  -4.575  -3.475
  711    HB   VAL  99           HB       VAL  99   1.229  -2.868  -4.316
  712   1HG1  VAL  99          1HG1      VAL  99   0.417  -1.499  -2.405
  713   2HG1  VAL  99          2HG1      VAL  99  -0.844  -2.698  -2.112
  714   3HG1  VAL  99          3HG1      VAL  99  -0.839  -1.775  -3.616
  715   1HG2  VAL  99          1HG2      VAL  99   1.029  -4.189  -1.603
  716   2HG2  VAL  99          2HG2      VAL  99   2.321  -3.154  -2.191
  717   3HG2  VAL  99          3HG2      VAL  99   2.108  -4.761  -2.872
  718    H    ASP 100           H        ASP 100  -2.594  -3.800  -4.839
  719    HA   ASP 100           HA       ASP 100  -1.893  -3.356  -7.697
  720   1HB   ASP 100          2HB       ASP 100  -4.245  -4.361  -6.226
  721   2HB   ASP 100          1HB       ASP 100  -4.643  -3.300  -7.581
  722    H    VAL 101           H        VAL 101  -1.672  -1.344  -8.388
  723    HA   VAL 101           HA       VAL 101  -2.829   0.883  -6.780
  724    HB   VAL 101           HB       VAL 101  -0.734   1.143  -8.935
  725   1HG1  VAL 101          1HG1      VAL 101  -0.043   3.048  -7.410
  726   2HG1  VAL 101          2HG1      VAL 101  -1.519   2.759  -6.495
  727   3HG1  VAL 101          3HG1      VAL 101  -1.614   3.244  -8.188
  728   1HG2  VAL 101          1HG2      VAL 101  -0.458   0.113  -6.115
  729   2HG2  VAL 101          2HG2      VAL 101   0.851   1.053  -6.829
  730   3HG2  VAL 101          3HG2      VAL 101   0.327  -0.450  -7.592
  731    HA   PRO 102           HA       PRO 102  -5.544   1.524 -10.358
  732   1HB   PRO 102          2HB       PRO 102  -6.930   3.654  -9.481
  733   2HB   PRO 102          1HB       PRO 102  -7.085   2.079  -8.696
  734   1HG   PRO 102          2HG       PRO 102  -5.402   4.412  -7.886
  735   2HG   PRO 102          1HG       PRO 102  -6.503   3.441  -6.891
  736   1HD   PRO 102          2HD       PRO 102  -3.799   3.017  -6.955
  737   2HD   PRO 102          1HD       PRO 102  -4.972   1.708  -6.671
  738    H    ASP 103           H        ASP 103  -6.348   3.609 -11.585
  739    HA   ASP 103           HA       ASP 103  -3.969   4.989 -12.639
  740   1HB   ASP 103          2HB       ASP 103  -5.674   6.062 -14.180
  741   2HB   ASP 103          1HB       ASP 103  -5.605   4.303 -14.271
  742    H    ARG 104           H        ARG 104  -6.445   5.541 -10.334
  743    HA   ARG 104           HA       ARG 104  -5.580   8.395 -10.027
  744   1HB   ARG 104          2HB       ARG 104  -8.296   7.658  -9.012
  745   2HB   ARG 104          1HB       ARG 104  -7.758   9.133  -9.812
  746   1HG   ARG 104          2HG       ARG 104  -7.623   7.283 -11.883
  747   2HG   ARG 104          1HG       ARG 104  -9.005   6.696 -10.966
  748   1HD   ARG 104          2HD       ARG 104  -9.996   8.220 -12.429
  749   2HD   ARG 104          1HD       ARG 104  -9.718   9.246 -11.023
  750    HE   ARG 104           HE       ARG 104  -7.372   9.361 -12.570
  751   1HH1  ARG 104          1HH2      ARG 104 -10.727  10.177 -12.815
  752   2HH1  ARG 104          2HH2      ARG 104 -10.469  11.421 -13.985
  753   1HH2  ARG 104          1HH1      ARG 104  -7.031  10.963 -14.111
  754   2HH2  ARG 104          2HH1      ARG 104  -8.373  11.873 -14.721
  755    H    GLN 105           H        GLN 105  -4.405   8.439  -8.110
  756    HA   GLN 105           HA       GLN 105  -5.275   6.558  -5.956
  757   1HB   GLN 105          2HB       GLN 105  -2.890   6.558  -5.248
  758   2HB   GLN 105          1HB       GLN 105  -3.101   5.909  -6.870
  759   1HG   GLN 105          2HG       GLN 105  -2.594   8.245  -7.747
  760   2HG   GLN 105          1HG       GLN 105  -2.116   8.666  -6.103
  761   1HE2  GLN 105          1HE2      GLN 105   0.155   8.754  -6.248
  762   2HE2  GLN 105          2HE2      GLN 105   1.122   7.485  -6.822
  763    H    TRP 106           H        TRP 106  -5.326   9.714  -6.850
  764    HA   TRP 106           HA       TRP 106  -5.812  11.635  -5.585
  765   1HB   TRP 106          2HB       TRP 106  -6.514   9.724  -3.824
  766   2HB   TRP 106          1HB       TRP 106  -5.091  10.325  -2.984
  767    HD1  TRP 106           HD       TRP 106  -8.681  10.989  -3.380
  768    HE1  TRP 106           1HE      TRP 106  -9.293  13.309  -2.403
  769    HE3  TRP 106           3HE      TRP 106  -4.022  13.006  -2.834
  770    HZ2  TRP 106           2HZ      TRP 106  -7.992  15.683  -1.540
  771    HZ3  TRP 106           3HZ      TRP 106  -3.736  15.294  -1.940
  772    HH2  TRP 106           HH       TRP 106  -5.716  16.636  -1.287
  Start of MODEL    4
    1   1H    SER   1          1HT       SER   1  11.673  -8.861   2.416
    2   2H    SER   1          2HT       SER   1  11.383  -9.746   3.835
    3   3H    SER   1          3HT       SER   1  10.813  -8.151   3.689
    4    HA   SER   1           HA       SER   1   9.664 -10.617   2.732
    5   1HB   SER   1          2HB       SER   1   7.626  -9.068   2.767
    6   2HB   SER   1          1HB       SER   1   8.442  -9.309   4.308
    7    HG   SER   1           HG       SER   1   8.168  -7.054   2.786
    8    H    LYS   2           H        LYS   2   8.762 -10.927   0.638
    9    HA   LYS   2           HA       LYS   2   9.890  -9.231  -1.461
   10   1HB   LYS   2          2HB       LYS   2   8.524 -11.862  -1.221
   11   2HB   LYS   2          1HB       LYS   2   8.121 -10.978  -2.691
   12   1HG   LYS   2          2HG       LYS   2  11.000 -11.306  -1.825
   13   2HG   LYS   2          1HG       LYS   2  10.181 -12.587  -2.718
   14   1HD   LYS   2          2HD       LYS   2   9.590 -10.868  -4.478
   15   2HD   LYS   2          1HD       LYS   2  10.634  -9.731  -3.628
   16   1HE   LYS   2          2HE       LYS   2  12.527 -11.320  -3.867
   17   2HE   LYS   2          1HE       LYS   2  11.478 -12.400  -4.788
   18   1HZ   LYS   2          1HZ       LYS   2  11.078 -10.234  -6.172
   19   2HZ   LYS   2          2HZ       LYS   2  12.431 -11.218  -6.468
   20   3HZ   LYS   2          3HZ       LYS   2  12.594  -9.800  -5.541
   21    H    VAL   3           H        VAL   3   8.783  -7.380  -2.090
   22    HA   VAL   3           HA       VAL   3   5.826  -7.320  -1.648
   23    HB   VAL   3           HB       VAL   3   8.069  -5.384  -1.235
   24   1HG1  VAL   3          1HG1      VAL   3   6.411  -3.500  -1.177
   25   2HG1  VAL   3          2HG1      VAL   3   5.258  -4.570  -1.982
   26   3HG1  VAL   3          3HG1      VAL   3   6.763  -4.118  -2.789
   27   1HG2  VAL   3          1HG2      VAL   3   7.036  -6.584   0.639
   28   2HG2  VAL   3          2HG2      VAL   3   5.476  -5.891   0.208
   29   3HG2  VAL   3          3HG2      VAL   3   6.765  -4.847   0.770
   30    H    VAL   4           H        VAL   4   4.688  -7.226  -3.494
   31    HA   VAL   4           HA       VAL   4   6.089  -6.221  -5.958
   32    HB   VAL   4           HB       VAL   4   3.824  -8.157  -5.630
   33   1HG1  VAL   4          1HG1      VAL   4   4.944  -6.813  -8.087
   34   2HG1  VAL   4          2HG1      VAL   4   3.260  -6.884  -7.567
   35   3HG1  VAL   4          3HG1      VAL   4   4.057  -8.336  -8.176
   36   1HG2  VAL   4          1HG2      VAL   4   5.416  -9.677  -6.816
   37   2HG2  VAL   4          2HG2      VAL   4   6.013  -9.133  -5.241
   38   3HG2  VAL   4          3HG2      VAL   4   6.628  -8.399  -6.721
   39    H    TYR   5           H        TYR   5   5.381  -4.473  -6.808
   40    HA   TYR   5           HA       TYR   5   2.807  -3.224  -5.933
   41   1HB   TYR   5          2HB       TYR   5   5.366  -2.050  -7.060
   42   2HB   TYR   5          1HB       TYR   5   3.863  -1.132  -6.994
   43    HD1  TYR   5           1HD      TYR   5   6.647  -2.494  -5.082
   44    HD2  TYR   5           2HD      TYR   5   2.799  -0.615  -4.782
   45    HE1  TYR   5           1HE      TYR   5   7.113  -1.896  -2.727
   46    HE2  TYR   5           2HE      TYR   5   3.282  -0.011  -2.428
   47    HH   TYR   5           HH       TYR   5   6.464  -0.473  -1.027
   48    H    VAL   6           H        VAL   6   1.206  -3.486  -7.458
   49    HA   VAL   6           HA       VAL   6   2.026  -3.878 -10.319
   50    HB   VAL   6           HB       VAL   6  -0.743  -4.318  -9.186
   51   1HG1  VAL   6          1HG1      VAL   6  -0.460  -4.150 -11.649
   52   2HG1  VAL   6          2HG1      VAL   6  -0.962  -5.766 -11.149
   53   3HG1  VAL   6          3HG1      VAL   6   0.721  -5.459 -11.582
   54   1HG2  VAL   6          1HG2      VAL   6   1.570  -6.268  -9.391
   55   2HG2  VAL   6          2HG2      VAL   6  -0.095  -6.717  -9.019
   56   3HG2  VAL   6          3HG2      VAL   6   0.816  -5.707  -7.895
   57    H    SER   7           H        SER   7   2.148  -1.996 -11.249
   58    HA   SER   7           HA       SER   7   0.707   0.351 -10.375
   59   1HB   SER   7          2HB       SER   7   1.770   1.399 -12.406
   60   2HB   SER   7          1HB       SER   7   2.914   0.615 -11.322
   61    HG   SER   7           HG       SER   7   2.085  -0.075 -13.879
   62    H    HIS   8           H        HIS   8  -0.163   1.687 -12.416
   63    HA   HIS   8           HA       HIS   8  -2.612   0.292 -13.206
   64   1HB   HIS   8          2HB       HIS   8  -2.683   2.707 -14.573
   65   2HB   HIS   8          1HB       HIS   8  -3.295   2.468 -12.945
   66    HD1  HIS   8           1HD      HIS   8  -0.913   2.466 -11.193
   67    HD2  HIS   8           2HD      HIS   8  -1.150   4.993 -14.506
   68    HE1  HIS   8           1HE      HIS   8   0.674   4.394 -10.748
   69    HE2  HIS   8           2HE      HIS   8   0.543   5.932 -12.759
   70    H    ASP   9           H        ASP   9   0.221   1.701 -14.830
   71    HA   ASP   9           HA       ASP   9  -0.561   0.959 -17.461
   72   1HB   ASP   9          2HB       ASP   9   1.883   1.220 -17.999
   73   2HB   ASP   9          1HB       ASP   9   1.193   2.596 -17.140
   74    H    GLY  10           H        GLY  10   0.255  -1.056 -14.864
   75   1HA   GLY  10          2HA       GLY  10   0.130  -3.452 -15.040
   76   2HA   GLY  10          1HA       GLY  10   0.605  -3.341 -16.732
   77    H    THR  11           H        THR  11   2.750  -1.332 -15.478
   78    HA   THR  11           HA       THR  11   4.897  -3.232 -15.556
   79    HB   THR  11           HB       THR  11   4.655  -0.488 -15.764
   80    HG1  THR  11           1HG      THR  11   6.289  -1.176 -16.852
   81   1HG2  THR  11          1HG2      THR  11   6.142   0.518 -14.156
   82   2HG2  THR  11          2HG2      THR  11   6.429  -1.036 -13.369
   83   3HG2  THR  11          3HG2      THR  11   4.838  -0.276 -13.265
   84    H    ARG  12           H        ARG  12   5.795  -4.412 -13.972
   85    HA   ARG  12           HA       ARG  12   4.620  -4.198 -11.256
   86   1HB   ARG  12          2HB       ARG  12   6.301  -6.476 -11.301
   87   2HB   ARG  12          1HB       ARG  12   4.559  -6.470 -11.432
   88   1HG   ARG  12          2HG       ARG  12   5.368  -7.674 -13.339
   89   2HG   ARG  12          1HG       ARG  12   4.943  -6.099 -13.991
   90   1HD   ARG  12          2HD       ARG  12   7.301  -5.384 -13.834
   91   2HD   ARG  12          1HD       ARG  12   7.729  -6.918 -13.090
   92    HE   ARG  12           HE       ARG  12   7.270  -8.039 -15.215
   93   1HH1  ARG  12          1HH2      ARG  12   7.167  -4.558 -15.328
   94   2HH1  ARG  12          2HH2      ARG  12   7.465  -4.501 -17.032
   95   1HH2  ARG  12          1HH1      ARG  12   7.675  -7.933 -17.390
   96   2HH2  ARG  12          2HH1      ARG  12   7.749  -6.404 -18.197
   97    H    ARG  13           H        ARG  13   5.826  -3.430  -9.510
   98    HA   ARG  13           HA       ARG  13   8.794  -3.192  -9.828
   99   1HB   ARG  13          2HB       ARG  13   6.800  -1.221  -9.245
  100   2HB   ARG  13          1HB       ARG  13   7.623  -1.519  -7.736
  101   1HG   ARG  13          2HG       ARG  13   9.028   0.082  -8.538
  102   2HG   ARG  13          1HG       ARG  13   9.805  -1.283  -9.294
  103   1HD   ARG  13          2HD       ARG  13   9.534  -0.134 -11.249
  104   2HD   ARG  13          1HD       ARG  13   7.818  -0.516 -11.131
  105    HE   ARG  13           HE       ARG  13   8.846   1.902  -9.724
  106   1HH1  ARG  13          1HH2      ARG  13   7.034   0.492 -12.305
  107   2HH1  ARG  13          2HH2      ARG  13   6.107   1.921 -12.598
  108   1HH2  ARG  13          1HH1      ARG  13   7.651   3.758 -10.099
  109   2HH2  ARG  13          2HH1      ARG  13   6.463   3.778 -11.359
  110    H    GLU  14           H        GLU  14   9.628  -4.896  -8.584
  111    HA   GLU  14           HA       GLU  14   8.188  -5.650  -6.108
  112   1HB   GLU  14          2HB       GLU  14  10.478  -7.230  -7.248
  113   2HB   GLU  14          1HB       GLU  14   9.093  -7.790  -6.307
  114   1HG   GLU  14          2HG       GLU  14   7.661  -7.015  -8.318
  115   2HG   GLU  14          1HG       GLU  14   9.180  -6.977  -9.210
  116    H    LEU  15           H        LEU  15   9.098  -5.113  -4.112
  117    HA   LEU  15           HA       LEU  15  12.035  -4.439  -4.044
  118   1HB   LEU  15          2HB       LEU  15  10.404  -3.186  -1.893
  119   2HB   LEU  15          1HB       LEU  15  11.694  -2.496  -2.860
  120    HG   LEU  15           HG       LEU  15   8.875  -2.895  -3.757
  121   1HD1  LEU  15          1HD1      LEU  15   9.177  -1.240  -1.895
  122   2HD1  LEU  15          2HD1      LEU  15   8.680  -0.456  -3.382
  123   3HD1  LEU  15          3HD1      LEU  15  10.362  -0.387  -2.880
  124   1HD2  LEU  15          1HD2      LEU  15   9.484  -1.757  -5.747
  125   2HD2  LEU  15          2HD2      LEU  15  10.916  -2.736  -5.454
  126   3HD2  LEU  15          3HD2      LEU  15  10.914  -1.039  -5.001
  127    H    ASP  16           H        ASP  16  12.794  -4.417  -1.762
  128    HA   ASP  16           HA       ASP  16  11.721  -6.762  -0.234
  129   1HB   ASP  16          2HB       ASP  16  14.161  -6.787  -1.143
  130   2HB   ASP  16          1HB       ASP  16  14.482  -5.535   0.049
  131    H    VAL  17           H        VAL  17  10.540  -5.998   1.512
  132    HA   VAL  17           HA       VAL  17  11.321  -3.366   2.736
  133    HB   VAL  17           HB       VAL  17   8.582  -4.713   2.857
  134   1HG1  VAL  17          1HG1      VAL  17   8.377  -3.044   4.401
  135   2HG1  VAL  17          2HG1      VAL  17   8.142  -2.025   2.995
  136   3HG1  VAL  17          3HG1      VAL  17   9.723  -2.104   3.763
  137   1HG2  VAL  17          1HG2      VAL  17   9.798  -2.832   0.815
  138   2HG2  VAL  17          2HG2      VAL  17   8.058  -2.980   1.027
  139   3HG2  VAL  17          3HG2      VAL  17   9.014  -4.378   0.538
  140    H    ALA  18           H        ALA  18  12.194  -3.565   4.695
  141    HA   ALA  18           HA       ALA  18  12.450  -6.126   5.976
  142   1HB   ALA  18          1HB       ALA  18  13.897  -3.848   6.085
  143   2HB   ALA  18          2HB       ALA  18  13.994  -5.093   7.329
  144   3HB   ALA  18          3HB       ALA  18  12.986  -3.670   7.586
  145    H    ASP  19           H        ASP  19  11.880  -6.525   8.243
  146    HA   ASP  19           HA       ASP  19   9.083  -6.438   8.692
  147   1HB   ASP  19          2HB       ASP  19   9.763  -7.101  11.064
  148   2HB   ASP  19          1HB       ASP  19  10.344  -8.150   9.780
  149    H    GLY  20           H        GLY  20   7.827  -5.123   9.778
  150   1HA   GLY  20          2HA       GLY  20   7.149  -3.295  11.146
  151   2HA   GLY  20          1HA       GLY  20   8.832  -3.071  11.595
  152    H    VAL  21           H        VAL  21   8.888  -3.108   8.231
  153    HA   VAL  21           HA       VAL  21   8.989  -0.162   8.213
  154    HB   VAL  21           HB       VAL  21   9.527  -2.162   6.024
  155   1HG1  VAL  21          1HG1      VAL  21  10.097   0.771   6.281
  156   2HG1  VAL  21          2HG1      VAL  21   9.039  -0.010   5.108
  157   3HG1  VAL  21          3HG1      VAL  21  10.785  -0.251   5.022
  158   1HG2  VAL  21          1HG2      VAL  21  11.849  -1.979   6.480
  159   2HG2  VAL  21          2HG2      VAL  21  11.063  -2.344   8.017
  160   3HG2  VAL  21          3HG2      VAL  21  11.578  -0.694   7.664
  161    H    SER  22           H        SER  22   7.613   1.080   6.813
  162    HA   SER  22           HA       SER  22   5.070  -0.289   6.154
  163   1HB   SER  22          2HB       SER  22   4.487   2.241   5.591
  164   2HB   SER  22          1HB       SER  22   4.552   1.690   7.264
  165    HG   SER  22           HG       SER  22   6.919   2.292   6.986
  166    H    LEU  23           H        LEU  23   4.269  -0.437   4.050
  167    HA   LEU  23           HA       LEU  23   6.044  -0.753   1.916
  168   1HB   LEU  23          2HB       LEU  23   3.101  -0.082   1.992
  169   2HB   LEU  23          1HB       LEU  23   3.938  -0.344   0.470
  170    HG   LEU  23           HG       LEU  23   4.084  -2.380   2.697
  171   1HD1  LEU  23          1HD1      LEU  23   2.030  -2.197   0.473
  172   2HD1  LEU  23          2HD1      LEU  23   1.704  -2.001   2.198
  173   3HD1  LEU  23          3HD1      LEU  23   2.222  -3.566   1.569
  174   1HD2  LEU  23          1HD2      LEU  23   4.385  -3.904   0.698
  175   2HD2  LEU  23          2HD2      LEU  23   5.694  -2.754   0.924
  176   3HD2  LEU  23          3HD2      LEU  23   4.467  -2.471  -0.308
  177    H    MET  24           H        MET  24   5.051   2.167   3.360
  178    HA   MET  24           HA       MET  24   5.449   3.818   0.954
  179   1HB   MET  24          2HB       MET  24   4.911   5.673   2.341
  180   2HB   MET  24          1HB       MET  24   3.890   4.366   2.938
  181   1HG   MET  24          2HG       MET  24   5.813   3.884   4.598
  182   2HG   MET  24          1HG       MET  24   6.418   5.477   4.163
  183   1HE   MET  24          1HE       MET  24   4.951   7.297   6.967
  184   2HE   MET  24          2HE       MET  24   5.772   7.542   5.426
  185   3HE   MET  24          3HE       MET  24   6.336   6.287   6.526
  186    H    GLN  25           H        GLN  25   7.209   2.957   3.899
  187    HA   GLN  25           HA       GLN  25   9.405   4.732   3.565
  188   1HB   GLN  25          2HB       GLN  25   8.793   2.320   5.149
  189   2HB   GLN  25          1HB       GLN  25  10.508   2.473   4.779
  190   1HG   GLN  25          2HG       GLN  25   8.903   4.776   5.907
  191   2HG   GLN  25          1HG       GLN  25   9.702   3.593   6.943
  192   1HE2  GLN  25          1HE2      GLN  25  12.150   3.195   6.151
  193   2HE2  GLN  25          2HE2      GLN  25  13.024   4.613   5.823
  194    H    ALA  26           H        ALA  26   9.224   1.216   2.617
  195    HA   ALA  26           HA       ALA  26  11.718   1.333   1.202
  196   1HB   ALA  26          1HB       ALA  26  10.800  -0.803   1.807
  197   2HB   ALA  26          2HB       ALA  26  10.827  -0.727   0.048
  198   3HB   ALA  26          3HB       ALA  26   9.313  -0.479   0.915
  199    H    ALA  27           H        ALA  27   8.461   2.288   0.204
  200    HA   ALA  27           HA       ALA  27   8.955   2.252  -2.614
  201   1HB   ALA  27          1HB       ALA  27   6.691   2.438  -1.801
  202   2HB   ALA  27          2HB       ALA  27   7.068   3.928  -2.670
  203   3HB   ALA  27          3HB       ALA  27   7.079   3.906  -0.906
  204    H    VAL  28           H        VAL  28   9.105   4.975  -0.274
  205    HA   VAL  28           HA       VAL  28   9.986   6.981  -2.035
  206    HB   VAL  28           HB       VAL  28  10.552   6.486   0.896
  207   1HG1  VAL  28          1HG1      VAL  28  11.410   8.799  -0.852
  208   2HG1  VAL  28          2HG1      VAL  28  12.401   7.835   0.237
  209   3HG1  VAL  28          3HG1      VAL  28  11.215   8.966   0.891
  210   1HG2  VAL  28          1HG2      VAL  28   8.869   8.142   1.261
  211   2HG2  VAL  28          2HG2      VAL  28   8.220   7.065   0.031
  212   3HG2  VAL  28          3HG2      VAL  28   8.882   8.633  -0.423
  213    H    SER  29           H        SER  29  11.729   4.218  -0.854
  214    HA   SER  29           HA       SER  29  14.359   5.399  -1.512
  215   1HB   SER  29          2HB       SER  29  14.968   3.994   0.157
  216   2HB   SER  29          1HB       SER  29  13.330   3.364   0.195
  217    HG   SER  29           HG       SER  29  13.941   1.681  -0.932
  218    H    ASN  30           H        ASN  30  11.996   3.264  -2.943
  219    HA   ASN  30           HA       ASN  30  13.996   2.314  -4.943
  220   1HB   ASN  30          2HB       ASN  30  11.213   1.449  -4.180
  221   2HB   ASN  30          1HB       ASN  30  11.996   0.895  -5.649
  222   1HD2  ASN  30          1HD2      ASN  30  12.646   1.131  -2.114
  223   2HD2  ASN  30          2HD2      ASN  30  13.540  -0.310  -2.036
  224    H    GLY  31           H        GLY  31  12.429   5.086  -4.613
  225   1HA   GLY  31          2HA       GLY  31  11.771   6.667  -6.219
  226   2HA   GLY  31          1HA       GLY  31  12.314   5.539  -7.454
  227    H    ILE  32           H        ILE  32   9.813   4.750  -5.103
  228    HA   ILE  32           HA       ILE  32   7.843   4.588  -7.354
  229    HB   ILE  32           HB       ILE  32   8.111   2.982  -4.821
  230   1HG1  ILE  32          2HG1      ILE  32   8.335   2.063  -7.690
  231   2HG1  ILE  32          1HG1      ILE  32   9.737   2.690  -6.829
  232   1HG2  ILE  32          1HG2      ILE  32   6.351   1.534  -6.078
  233   2HG2  ILE  32          2HG2      ILE  32   6.015   3.006  -6.993
  234   3HG2  ILE  32          3HG2      ILE  32   5.788   2.985  -5.247
  235   1HD1  ILE  32          1HD1      ILE  32   9.881   0.395  -6.471
  236   2HD1  ILE  32          2HD1      ILE  32   8.143   0.208  -6.247
  237   3HD1  ILE  32          3HD1      ILE  32   9.121   0.975  -5.001
  238    H    TYR  33           H        TYR  33   8.339   5.791  -4.132
  239    HA   TYR  33           HA       TYR  33   5.557   6.289  -3.669
  240   1HB   TYR  33          2HB       TYR  33   7.687   6.179  -2.050
  241   2HB   TYR  33          1HB       TYR  33   7.606   7.928  -2.240
  242    HD1  TYR  33           1HD      TYR  33   5.232   5.054  -1.776
  243    HD2  TYR  33           2HD      TYR  33   6.318   9.055  -0.640
  244    HE1  TYR  33           1HE      TYR  33   3.345   5.113  -0.155
  245    HE2  TYR  33           2HE      TYR  33   4.433   9.113   0.970
  246    HH   TYR  33           HH       TYR  33   2.268   6.300   1.368
  247    H    ASP  34           H        ASP  34   7.394   7.832  -5.971
  248    HA   ASP  34           HA       ASP  34   7.102  10.561  -5.629
  249   1HB   ASP  34          2HB       ASP  34   6.769  10.625  -8.169
  250   2HB   ASP  34          1HB       ASP  34   8.201   9.780  -7.582
  251    H    ILE  35           H        ILE  35   4.914   9.626  -4.406
  252    HA   ILE  35           HA       ILE  35   2.528  10.431  -6.024
  253    HB   ILE  35           HB       ILE  35   2.593   8.251  -4.643
  254   1HG1  ILE  35          2HG1      ILE  35   0.332  10.143  -3.965
  255   2HG1  ILE  35          1HG1      ILE  35   0.525   9.421  -5.562
  256   1HG2  ILE  35          1HG2      ILE  35   1.945  10.099  -2.348
  257   2HG2  ILE  35          2HG2      ILE  35   3.576   9.492  -2.623
  258   3HG2  ILE  35          3HG2      ILE  35   2.259   8.365  -2.300
  259   1HD1  ILE  35          1HD1      ILE  35   0.212   7.907  -2.960
  260   2HD1  ILE  35          2HD1      ILE  35   0.477   7.166  -4.535
  261   3HD1  ILE  35          3HD1      ILE  35  -1.006   8.066  -4.224
  262    H    VAL  36           H        VAL  36   0.952  11.921  -4.944
  263    HA   VAL  36           HA       VAL  36   1.996  14.387  -4.291
  264    HB   VAL  36           HB       VAL  36  -0.527  13.214  -3.089
  265   1HG1  VAL  36          1HG1      VAL  36  -1.248  15.617  -3.121
  266   2HG1  VAL  36          2HG1      VAL  36   0.395  16.060  -3.587
  267   3HG1  VAL  36          3HG1      VAL  36   0.091  15.306  -2.024
  268   1HG2  VAL  36          1HG2      VAL  36  -0.519  12.959  -5.520
  269   2HG2  VAL  36          2HG2      VAL  36   0.008  14.629  -5.722
  270   3HG2  VAL  36          3HG2      VAL  36  -1.602  14.283  -5.091
  271    H    GLY  37           H        GLY  37   1.349  11.751  -1.982
  272   1HA   GLY  37          2HA       GLY  37   2.121  11.452   0.211
  273   2HA   GLY  37          1HA       GLY  37   3.433  12.554  -0.206
  274    H    ASP  38           H        ASP  38  -0.073  12.683   0.496
  275    HA   ASP  38           HA       ASP  38  -0.017  15.452   1.275
  276   1HB   ASP  38          2HB       ASP  38  -1.988  13.203   1.700
  277   2HB   ASP  38          1HB       ASP  38  -2.261  14.807   2.380
  278    H    CYS  39           H        CYS  39  -0.801  12.715   3.476
  279    HA   CYS  39           HA       CYS  39   0.154  14.306   5.730
  280   1HB   CYS  39          2HB       CYS  39  -0.720  12.629   7.131
  281   2HB   CYS  39          1HB       CYS  39  -1.807  12.633   5.745
  282    H    GLY  40           H        GLY  40   1.846  12.721   3.455
  283   1HA   GLY  40          2HA       GLY  40   4.113  12.088   3.416
  284   2HA   GLY  40          1HA       GLY  40   4.224  12.600   5.094
  285    H    GLY  41           H        GLY  41   1.669  10.556   5.059
  286   1HA   GLY  41          2HA       GLY  41   1.592   8.102   5.044
  287   2HA   GLY  41          1HA       GLY  41   3.321   8.076   5.362
  288    H    SER  42           H        SER  42   1.215  10.285   7.077
  289    HA   SER  42           HA       SER  42   1.828   8.818   9.607
  290   1HB   SER  42          2HB       SER  42   2.369  11.237   9.505
  291   2HB   SER  42          1HB       SER  42   0.679  11.594   9.165
  292    HG   SER  42           HG       SER  42   1.330  10.020  11.394
  293    H    ALA  43           H        ALA  43  -0.306   8.160   7.516
  294    HA   ALA  43           HA       ALA  43  -2.531   7.417   7.509
  295   1HB   ALA  43          1HB       ALA  43  -3.314   6.419   9.542
  296   2HB   ALA  43          2HB       ALA  43  -2.281   7.455  10.525
  297   3HB   ALA  43          3HB       ALA  43  -1.566   6.190   9.532
  298    H    SER  44           H        SER  44  -2.676   9.938   6.942
  299    HA   SER  44           HA       SER  44  -4.921  10.965   8.585
  300   1HB   SER  44          2HB       SER  44  -3.822  12.791   9.410
  301   2HB   SER  44          1HB       SER  44  -2.340  11.954   8.966
  302    HG   SER  44           HG       SER  44  -3.610  14.098   7.785
  303    H    CYS  45           H        CYS  45  -4.244   9.908   5.749
  304    HA   CYS  45           HA       CYS  45  -5.994  11.818   4.377
  305   1HB   CYS  45          2HB       CYS  45  -4.515  12.582   2.731
  306   2HB   CYS  45          1HB       CYS  45  -3.517  12.619   4.179
  307    H    ALA  46           H        ALA  46  -5.741  10.984   1.801
  308    HA   ALA  46           HA       ALA  46  -6.115   8.003   1.908
  309   1HB   ALA  46          1HB       ALA  46  -7.824  10.188   0.754
  310   2HB   ALA  46          2HB       ALA  46  -8.314   8.716   1.590
  311   3HB   ALA  46          3HB       ALA  46  -7.776   8.641  -0.078
  312    H    THR  47           H        THR  47  -4.100  10.291   0.909
  313    HA   THR  47           HA       THR  47  -3.742  10.067  -1.859
  314    HB   THR  47           HB       THR  47  -1.672  10.341   0.331
  315    HG1  THR  47           1HG      THR  47  -2.780  12.307  -1.367
  316   1HG2  THR  47          1HG2      THR  47  -0.367  11.444  -1.565
  317   2HG2  THR  47          2HG2      THR  47  -1.505  10.656  -2.659
  318   3HG2  THR  47          3HG2      THR  47  -0.476   9.686  -1.607
  319    H    CYS  48           H        CYS  48  -2.731   7.845   0.685
  320    HA   CYS  48           HA       CYS  48  -1.230   6.163  -1.181
  321   1HB   CYS  48          2HB       CYS  48  -0.982   4.686   0.836
  322   2HB   CYS  48          1HB       CYS  48  -0.381   6.327   1.051
  323    H    HIS  49           H        HIS  49  -3.993   6.495  -1.873
  324    HA   HIS  49           HA       HIS  49  -5.653   4.281  -1.077
  325   1HB   HIS  49          2HB       HIS  49  -6.606   6.248  -2.122
  326   2HB   HIS  49          1HB       HIS  49  -5.554   6.090  -3.495
  327    HD1  HIS  49           1HD      HIS  49  -8.066   3.621  -1.914
  328    HD2  HIS  49           2HD      HIS  49  -7.112   5.325  -5.584
  329    HE1  HIS  49           1HE      HIS  49  -9.644   2.585  -3.653
  330    HE2  HIS  49           2HE      HIS  49  -9.044   3.625  -5.863
  331    H    VAL  50           H        VAL  50  -4.878   2.150  -1.403
  332    HA   VAL  50           HA       VAL  50  -4.229   1.413  -4.206
  333    HB   VAL  50           HB       VAL  50  -2.163   0.418  -3.814
  334   1HG1  VAL  50          1HG1      VAL  50  -0.753   2.039  -2.833
  335   2HG1  VAL  50          2HG1      VAL  50  -1.996   2.560  -1.701
  336   3HG1  VAL  50          3HG1      VAL  50  -2.146   2.949  -3.414
  337   1HG2  VAL  50          1HG2      VAL  50  -2.549  -1.054  -2.032
  338   2HG2  VAL  50          2HG2      VAL  50  -3.049   0.243  -0.938
  339   3HG2  VAL  50          3HG2      VAL  50  -1.348   0.055  -1.361
  340    H    TYR  51           H        TYR  51  -4.003  -1.149  -4.257
  341    HA   TYR  51           HA       TYR  51  -6.138  -2.273  -2.500
  342   1HB   TYR  51          2HB       TYR  51  -5.485  -2.804  -5.392
  343   2HB   TYR  51          1HB       TYR  51  -6.712  -3.649  -4.488
  344    HD1  TYR  51           1HD      TYR  51  -8.315  -1.804  -3.066
  345    HD2  TYR  51           2HD      TYR  51  -6.241  -1.108  -6.781
  346    HE1  TYR  51           1HE      TYR  51  -9.776   0.131  -3.548
  347    HE2  TYR  51           2HE      TYR  51  -7.752   0.752  -7.241
  348    HH   TYR  51           HH       TYR  51 -10.556   1.389  -5.559
  349    H    VAL  52           H        VAL  52  -5.280  -3.619  -1.184
  350    HA   VAL  52           HA       VAL  52  -2.743  -5.065  -1.709
  351    HB   VAL  52           HB       VAL  52  -4.520  -5.013   0.747
  352   1HG1  VAL  52          1HG1      VAL  52  -3.547  -7.136   0.884
  353   2HG1  VAL  52          2HG1      VAL  52  -2.375  -6.146   1.745
  354   3HG1  VAL  52          3HG1      VAL  52  -2.070  -6.618   0.079
  355   1HG2  VAL  52          1HG2      VAL  52  -2.907  -3.588   1.723
  356   2HG2  VAL  52          2HG2      VAL  52  -3.005  -2.989   0.062
  357   3HG2  VAL  52          3HG2      VAL  52  -1.669  -4.031   0.548
  358    H    ASN  53           H        ASN  53  -2.670  -7.204  -2.305
  359    HA   ASN  53           HA       ASN  53  -4.931  -8.552  -3.302
  360   1HB   ASN  53          2HB       ASN  53  -2.155  -9.196  -2.776
  361   2HB   ASN  53          1HB       ASN  53  -3.146 -10.561  -2.277
  362   1HD2  ASN  53          1HD2      ASN  53  -2.422 -11.872  -4.112
  363   2HD2  ASN  53          2HD2      ASN  53  -2.934 -11.540  -5.696
  364    H    GLU  54           H        GLU  54  -6.701  -9.276  -2.255
  365    HA   GLU  54           HA       GLU  54  -7.248  -9.100   0.441
  366   1HB   GLU  54          2HB       GLU  54  -8.989 -10.868   0.070
  367   2HB   GLU  54          1HB       GLU  54  -9.007  -9.582  -1.132
  368   1HG   GLU  54          2HG       GLU  54  -7.828 -10.961  -2.723
  369   2HG   GLU  54          1HG       GLU  54  -7.545 -12.210  -1.512
  370    H    ALA  55           H        ALA  55  -4.896 -11.175  -0.787
  371    HA   ALA  55           HA       ALA  55  -5.322 -13.336   1.156
  372   1HB   ALA  55          1HB       ALA  55  -3.127 -14.168   0.210
  373   2HB   ALA  55          2HB       ALA  55  -3.142 -12.772  -0.864
  374   3HB   ALA  55          3HB       ALA  55  -4.422 -13.982  -0.967
  375    H    PHE  56           H        PHE  56  -3.627 -10.255   1.230
  376    HA   PHE  56           HA       PHE  56  -2.007 -11.190   3.563
  377   1HB   PHE  56          2HB       PHE  56  -1.625  -8.916   1.573
  378   2HB   PHE  56          1HB       PHE  56  -0.580  -9.214   2.961
  379    HD1  PHE  56           1HD      PHE  56  -1.955 -10.895  -0.096
  380    HD2  PHE  56           2HD      PHE  56   1.231 -10.693   2.755
  381    HE1  PHE  56           1HE      PHE  56  -0.700 -12.611  -1.366
  382    HE2  PHE  56           2HE      PHE  56   2.478 -12.410   1.516
  383    HZ   PHE  56           HZ       PHE  56   1.522 -13.372  -0.561
  384    H    THR  57           H        THR  57  -4.719  -9.499   2.630
  385    HA   THR  57           HA       THR  57  -4.622  -7.252   4.457
  386    HB   THR  57           HB       THR  57  -7.100  -7.156   4.033
  387    HG1  THR  57           1HG      THR  57  -7.109  -9.547   3.725
  388   1HG2  THR  57          1HG2      THR  57  -5.769  -7.597   1.391
  389   2HG2  THR  57          2HG2      THR  57  -5.171  -6.321   2.437
  390   3HG2  THR  57          3HG2      THR  57  -6.844  -6.295   1.889
  391    H    ASP  58           H        ASP  58  -6.038 -10.525   4.660
  392    HA   ASP  58           HA       ASP  58  -7.121  -9.976   7.322
  393   1HB   ASP  58          2HB       ASP  58  -7.851 -12.320   7.259
  394   2HB   ASP  58          1HB       ASP  58  -8.269 -11.520   5.743
  395    H    LYS  59           H        LYS  59  -4.099 -10.370   6.286
  396    HA   LYS  59           HA       LYS  59  -3.230 -12.038   8.628
  397   1HB   LYS  59          2HB       LYS  59  -1.534 -11.249   6.265
  398   2HB   LYS  59          1HB       LYS  59  -1.351 -12.638   7.352
  399   1HG   LYS  59          2HG       LYS  59  -3.674 -13.383   6.417
  400   2HG   LYS  59          1HG       LYS  59  -3.382 -12.207   5.129
  401   1HD   LYS  59          2HD       LYS  59  -1.529 -13.402   4.295
  402   2HD   LYS  59          1HD       LYS  59  -1.283 -14.287   5.799
  403   1HE   LYS  59          2HE       LYS  59  -2.427 -15.479   3.727
  404   2HE   LYS  59          1HE       LYS  59  -3.003 -15.793   5.362
  405   1HZ   LYS  59          1HZ       LYS  59  -4.726 -15.217   3.621
  406   2HZ   LYS  59          2HZ       LYS  59  -4.136 -13.625   3.703
  407   3HZ   LYS  59          3HZ       LYS  59  -4.801 -14.358   5.081
  408    H    VAL  60           H        VAL  60  -2.497  -9.115   6.762
  409    HA   VAL  60           HA       VAL  60  -0.606  -8.151   8.758
  410    HB   VAL  60           HB       VAL  60  -1.419  -7.475   6.084
  411   1HG1  VAL  60          1HG1      VAL  60  -1.473  -5.142   5.972
  412   2HG1  VAL  60          2HG1      VAL  60  -1.077  -4.957   7.670
  413   3HG1  VAL  60          3HG1      VAL  60  -2.650  -5.588   7.185
  414   1HG2  VAL  60          1HG2      VAL  60   0.832  -6.045   6.301
  415   2HG2  VAL  60          2HG2      VAL  60   0.855  -7.796   6.174
  416   3HG2  VAL  60          3HG2      VAL  60   1.015  -7.032   7.745
  417    HA   PRO  61           HA       PRO  61  -3.208  -6.472  11.815
  418   1HB   PRO  61          2HB       PRO  61  -2.264  -3.742  11.809
  419   2HB   PRO  61          1HB       PRO  61  -1.832  -5.053  12.923
  420   1HG   PRO  61          2HG       PRO  61  -0.345  -3.998  10.626
  421   2HG   PRO  61          1HG       PRO  61   0.227  -4.993  11.975
  422   1HD   PRO  61          2HD       PRO  61  -0.067  -5.918   9.393
  423   2HD   PRO  61          1HD       PRO  61  -0.103  -6.967  10.800
  424    H    ALA  62           H        ALA  62  -5.314  -6.214  11.435
  425    HA   ALA  62           HA       ALA  62  -6.671  -5.112   9.372
  426   1HB   ALA  62          1HB       ALA  62  -8.565  -4.793  10.947
  427   2HB   ALA  62          2HB       ALA  62  -7.457  -5.056  12.289
  428   3HB   ALA  62          3HB       ALA  62  -7.778  -6.359  11.146
  429    H    ALA  63           H        ALA  63  -7.220  -3.224   8.709
  430    HA   ALA  63           HA       ALA  63  -5.822  -0.855   9.476
  431   1HB   ALA  63          1HB       ALA  63  -6.510  -0.819   7.250
  432   2HB   ALA  63          2HB       ALA  63  -7.748   0.202   7.977
  433   3HB   ALA  63          3HB       ALA  63  -8.095  -1.490   7.627
  434    H    ASN  64           H        ASN  64  -6.459   0.936  10.544
  435    HA   ASN  64           HA       ASN  64  -8.519   0.583  12.623
  436   1HB   ASN  64          2HB       ASN  64  -7.637   3.143  13.037
  437   2HB   ASN  64          1HB       ASN  64  -6.813   1.716  13.664
  438   1HD2  ASN  64          1HD2      ASN  64  -6.404   4.476  11.696
  439   2HD2  ASN  64          2HD2      ASN  64  -4.951   4.017  10.945
  440    H    GLU  65           H        GLU  65 -10.145   2.223  13.063
  441    HA   GLU  65           HA       GLU  65 -11.834   2.720  10.833
  442   1HB   GLU  65          2HB       GLU  65 -13.218   3.998  12.387
  443   2HB   GLU  65          1HB       GLU  65 -12.631   2.533  13.176
  444   1HG   GLU  65          2HG       GLU  65 -10.688   3.990  14.043
  445   2HG   GLU  65          1HG       GLU  65 -11.665   5.373  13.548
  446    H    ARG  66           H        ARG  66  -9.067   4.563  11.799
  447    HA   ARG  66           HA       ARG  66 -10.075   7.142  10.999
  448   1HB   ARG  66          2HB       ARG  66  -7.273   5.990  11.170
  449   2HB   ARG  66          1HB       ARG  66  -7.610   7.669  10.770
  450   1HG   ARG  66          2HG       ARG  66  -8.761   7.986  12.908
  451   2HG   ARG  66          1HG       ARG  66  -8.525   6.287  13.305
  452   1HD   ARG  66          2HD       ARG  66  -6.586   6.937  14.325
  453   2HD   ARG  66          1HD       ARG  66  -5.939   7.225  12.709
  454    HE   ARG  66           HE       ARG  66  -7.516   9.416  13.924
  455   1HH1  ARG  66          1HH2      ARG  66  -4.442   8.058  13.065
  456   2HH1  ARG  66          2HH2      ARG  66  -3.588   9.543  13.303
  457   1HH2  ARG  66          1HH1      ARG  66  -6.405  11.323  14.263
  458   2HH2  ARG  66          2HH1      ARG  66  -4.698  11.395  13.983
  459    H    GLU  67           H        GLU  67  -8.585   4.410   9.382
  460    HA   GLU  67           HA       GLU  67  -8.234   5.721   6.821
  461   1HB   GLU  67          2HB       GLU  67  -8.365   2.765   7.474
  462   2HB   GLU  67          1HB       GLU  67  -7.687   3.487   6.023
  463   1HG   GLU  67          2HG       GLU  67  -6.080   4.756   7.514
  464   2HG   GLU  67          1HG       GLU  67  -6.654   3.756   8.850
  465    H    ILE  68           H        ILE  68 -10.742   3.569   8.183
  466    HA   ILE  68           HA       ILE  68 -12.220   3.076   5.837
  467    HB   ILE  68           HB       ILE  68 -13.040   3.416   8.731
  468   1HG1  ILE  68          2HG1      ILE  68 -13.366   1.028   8.633
  469   2HG1  ILE  68          1HG1      ILE  68 -13.201   1.016   6.884
  470   1HG2  ILE  68          1HG2      ILE  68 -15.023   4.136   7.611
  471   2HG2  ILE  68          2HG2      ILE  68 -15.282   2.427   7.955
  472   3HG2  ILE  68          3HG2      ILE  68 -14.824   2.939   6.331
  473   1HD1  ILE  68          1HD1      ILE  68 -11.150   0.247   8.156
  474   2HD1  ILE  68          2HD1      ILE  68 -10.990   1.895   8.751
  475   3HD1  ILE  68          3HD1      ILE  68 -10.862   1.566   7.023
  476    H    GLY  69           H        GLY  69 -12.138   5.957   7.862
  477   1HA   GLY  69          2HA       GLY  69 -14.318   7.262   6.428
  478   2HA   GLY  69          1HA       GLY  69 -13.260   8.036   7.594
  479    H    MET  70           H        MET  70 -10.795   7.180   6.127
  480    HA   MET  70           HA       MET  70 -10.754   9.408   4.216
  481   1HB   MET  70          2HB       MET  70  -8.650   7.345   4.964
  482   2HB   MET  70          1HB       MET  70  -8.371   8.748   3.932
  483   1HG   MET  70          2HG       MET  70  -9.042  10.238   5.781
  484   2HG   MET  70          1HG       MET  70  -9.285   8.833   6.818
  485   1HE   MET  70          1HE       MET  70  -7.284   7.474   7.995
  486   2HE   MET  70          2HE       MET  70  -7.822   9.028   8.628
  487   3HE   MET  70          3HE       MET  70  -6.102   8.657   8.561
  488    H    LEU  71           H        LEU  71 -10.868   5.893   4.185
  489    HA   LEU  71           HA       LEU  71 -10.289   5.479   1.431
  490   1HB   LEU  71          2HB       LEU  71 -11.985   3.937   3.408
  491   2HB   LEU  71          1HB       LEU  71 -11.734   3.385   1.760
  492    HG   LEU  71           HG       LEU  71  -9.540   3.919   3.777
  493   1HD1  LEU  71          1HD1      LEU  71 -10.453   1.274   2.625
  494   2HD1  LEU  71          2HD1      LEU  71 -11.038   1.910   4.167
  495   3HD1  LEU  71          3HD1      LEU  71  -9.327   1.536   3.957
  496   1HD2  LEU  71          1HD2      LEU  71  -8.311   4.175   1.853
  497   2HD2  LEU  71          2HD2      LEU  71  -9.497   3.372   0.850
  498   3HD2  LEU  71          3HD2      LEU  71  -8.374   2.416   1.802
  499    H    GLU  72           H        GLU  72 -13.171   6.623   3.081
  500    HA   GLU  72           HA       GLU  72 -14.897   6.311   0.751
  501   1HB   GLU  72          2HB       GLU  72 -15.976   6.297   2.889
  502   2HB   GLU  72          1HB       GLU  72 -15.139   7.764   3.412
  503   1HG   GLU  72          2HG       GLU  72 -16.441   9.140   1.977
  504   2HG   GLU  72          1HG       GLU  72 -16.989   7.770   1.014
  505    H    CYS  73           H        CYS  73 -12.366   8.305   1.543
  506    HA   CYS  73           HA       CYS  73 -13.412  10.638  -0.023
  507   1HB   CYS  73          2HB       CYS  73 -11.920  10.417   2.412
  508   2HB   CYS  73          1HB       CYS  73 -10.870  11.193   1.230
  509    HG   CYS  73           HG       CYS  73 -13.065  12.591   2.618
  510    H    VAL  74           H        VAL  74 -11.853   7.895  -0.841
  511    HA   VAL  74           HA       VAL  74  -9.481   8.945  -2.125
  512    HB   VAL  74           HB       VAL  74  -9.362   6.703  -3.113
  513   1HG1  VAL  74          1HG1      VAL  74  -9.747   5.404  -0.844
  514   2HG1  VAL  74          2HG1      VAL  74 -10.028   7.020  -0.200
  515   3HG1  VAL  74          3HG1      VAL  74  -8.493   6.626  -0.941
  516   1HG2  VAL  74          1HG2      VAL  74 -11.244   5.112  -2.473
  517   2HG2  VAL  74          2HG2      VAL  74 -11.657   6.308  -3.693
  518   3HG2  VAL  74          3HG2      VAL  74 -12.181   6.529  -2.021
  519    H    THR  75           H        THR  75  -9.175   8.775  -4.522
  520    HA   THR  75           HA       THR  75 -11.456  10.018  -5.910
  521    HB   THR  75           HB       THR  75  -8.725   9.414  -7.057
  522    HG1  THR  75           1HG      THR  75  -9.631  11.461  -5.354
  523   1HG2  THR  75          1HG2      THR  75 -10.437  10.093  -8.666
  524   2HG2  THR  75          2HG2      THR  75  -9.277  11.401  -8.446
  525   3HG2  THR  75          3HG2      THR  75 -10.856  11.481  -7.667
  526    H    ALA  76           H        ALA  76  -9.782   6.834  -5.989
  527    HA   ALA  76           HA       ALA  76 -11.280   6.175  -8.478
  528   1HB   ALA  76          1HB       ALA  76  -9.105   5.404  -8.738
  529   2HB   ALA  76          2HB       ALA  76  -9.875   3.960  -8.078
  530   3HB   ALA  76          3HB       ALA  76  -8.927   5.014  -7.029
  531    H    GLU  77           H        GLU  77 -11.940   3.610  -8.327
  532    HA   GLU  77           HA       GLU  77 -14.203   3.576  -6.588
  533   1HB   GLU  77          2HB       GLU  77 -14.819   2.280  -8.344
  534   2HB   GLU  77          1HB       GLU  77 -13.152   2.199  -8.865
  535   1HG   GLU  77          2HG       GLU  77 -14.029  -0.047  -8.569
  536   2HG   GLU  77          1HG       GLU  77 -12.803   0.240  -7.345
  537    H    LEU  78           H        LEU  78 -14.416   2.686  -4.572
  538    HA   LEU  78           HA       LEU  78 -12.048   1.483  -3.321
  539   1HB   LEU  78          2HB       LEU  78 -13.914   3.059  -2.257
  540   2HB   LEU  78          1HB       LEU  78 -14.722   1.524  -1.954
  541    HG   LEU  78           HG       LEU  78 -12.458   0.751  -0.938
  542   1HD1  LEU  78          1HD1      LEU  78 -10.863   2.317  -0.414
  543   2HD1  LEU  78          2HD1      LEU  78 -11.956   3.676  -0.493
  544   3HD1  LEU  78          3HD1      LEU  78 -11.370   2.930  -1.964
  545   1HD2  LEU  78          1HD2      LEU  78 -14.596   1.467   0.324
  546   2HD2  LEU  78          2HD2      LEU  78 -13.795   3.021   0.555
  547   3HD2  LEU  78          3HD2      LEU  78 -13.079   1.550   1.210
  548    H    LYS  79           H        LYS  79 -11.835  -0.421  -2.419
  549    HA   LYS  79           HA       LYS  79 -13.431  -2.632  -3.618
  550   1HB   LYS  79          2HB       LYS  79 -10.582  -2.176  -2.791
  551   2HB   LYS  79          1HB       LYS  79 -11.182  -3.831  -2.875
  552   1HG   LYS  79          2HG       LYS  79 -11.455  -1.895  -5.178
  553   2HG   LYS  79          1HG       LYS  79 -10.016  -2.878  -4.966
  554   1HD   LYS  79          2HD       LYS  79 -11.539  -4.914  -4.900
  555   2HD   LYS  79          1HD       LYS  79 -12.844  -3.857  -5.425
  556   1HE   LYS  79          2HE       LYS  79 -11.601  -3.263  -7.438
  557   2HE   LYS  79          1HE       LYS  79 -10.227  -4.231  -6.902
  558   1HZ   LYS  79          1HZ       LYS  79 -11.779  -5.327  -8.525
  559   2HZ   LYS  79          2HZ       LYS  79 -12.937  -5.368  -7.288
  560   3HZ   LYS  79          3HZ       LYS  79 -11.469  -6.204  -7.111
  561    HA   PRO  80           HA       PRO  80 -14.791  -3.685   0.467
  562   1HB   PRO  80          2HB       PRO  80 -14.334  -6.466   0.476
  563   2HB   PRO  80          1HB       PRO  80 -15.790  -5.668  -0.142
  564   1HG   PRO  80          2HG       PRO  80 -13.426  -6.704  -1.627
  565   2HG   PRO  80          1HG       PRO  80 -15.133  -6.670  -2.103
  566   1HD   PRO  80          2HD       PRO  80 -13.317  -4.920  -3.123
  567   2HD   PRO  80          1HD       PRO  80 -15.016  -4.465  -2.854
  568    H    ASN  81           H        ASN  81 -11.714  -4.887  -0.691
  569    HA   ASN  81           HA       ASN  81 -10.611  -4.888   2.087
  570   1HB   ASN  81          2HB       ASN  81  -9.196  -6.602   1.472
  571   2HB   ASN  81          1HB       ASN  81 -10.478  -6.899   0.304
  572   1HD2  ASN  81          1HD2      ASN  81 -10.089  -6.049  -1.955
  573   2HD2  ASN  81          2HD2      ASN  81  -8.498  -5.825  -2.496
  574    H    SER  82           H        SER  82 -10.968  -2.355   0.373
  575    HA   SER  82           HA       SER  82  -8.528  -1.537  -0.725
  576   1HB   SER  82          2HB       SER  82 -10.783  -0.109   0.640
  577   2HB   SER  82          1HB       SER  82  -9.323   0.778   0.199
  578    HG   SER  82           HG       SER  82  -9.876   0.643  -1.810
  579    H    ARG  83           H        ARG  83  -6.659  -0.814   0.135
  580    HA   ARG  83           HA       ARG  83  -6.440  -0.562   3.126
  581   1HB   ARG  83          2HB       ARG  83  -4.854  -2.320   1.272
  582   2HB   ARG  83          1HB       ARG  83  -4.156  -1.766   2.792
  583   1HG   ARG  83          2HG       ARG  83  -6.907  -2.982   2.852
  584   2HG   ARG  83          1HG       ARG  83  -5.530  -4.057   2.656
  585   1HD   ARG  83          2HD       ARG  83  -4.705  -3.616   4.770
  586   2HD   ARG  83          1HD       ARG  83  -5.379  -1.988   4.824
  587    HE   ARG  83           HE       ARG  83  -7.660  -3.252   4.981
  588   1HH1  ARG  83          1HH2      ARG  83  -4.649  -4.436   6.259
  589   2HH1  ARG  83          2HH2      ARG  83  -5.404  -5.274   7.565
  590   1HH2  ARG  83          1HH1      ARG  83  -8.618  -4.330   6.700
  591   2HH2  ARG  83          2HH1      ARG  83  -7.638  -5.215   7.819
  592    H    LEU  84           H        LEU  84  -4.753   0.753   3.851
  593    HA   LEU  84           HA       LEU  84  -3.921   2.822   1.915
  594   1HB   LEU  84          2HB       LEU  84  -3.622   2.550   4.926
  595   2HB   LEU  84          1HB       LEU  84  -3.009   3.918   4.012
  596    HG   LEU  84           HG       LEU  84  -5.359   4.094   5.175
  597   1HD1  LEU  84          1HD1      LEU  84  -6.208   5.507   3.275
  598   2HD1  LEU  84          2HD1      LEU  84  -4.843   4.932   2.317
  599   3HD1  LEU  84          3HD1      LEU  84  -4.566   5.868   3.796
  600   1HD2  LEU  84          1HD2      LEU  84  -6.299   2.002   4.191
  601   2HD2  LEU  84          2HD2      LEU  84  -6.175   2.734   2.583
  602   3HD2  LEU  84          3HD2      LEU  84  -7.247   3.426   3.782
  603    H    CYS  85           H        CYS  85  -1.543   3.408   1.863
  604    HA   CYS  85           HA       CYS  85   0.114   0.917   2.043
  605   1HB   CYS  85          2HB       CYS  85  -0.273   2.345  -0.125
  606   2HB   CYS  85          1HB       CYS  85   0.976   3.383   0.555
  607    HG   CYS  85           HG       CYS  85   2.467   1.107   0.708
  608    H    CYS  86           H        CYS  86  -0.430   3.494   3.987
  609    HA   CYS  86           HA       CYS  86   2.467   3.821   4.716
  610   1HB   CYS  86          2HB       CYS  86   1.744   5.890   5.878
  611   2HB   CYS  86          1HB       CYS  86   1.402   5.938   4.150
  612    H    GLN  87           H        GLN  87  -0.676   2.819   5.941
  613    HA   GLN  87           HA       GLN  87   0.484   2.525   8.683
  614   1HB   GLN  87          2HB       GLN  87  -1.879   3.535   8.090
  615   2HB   GLN  87          1HB       GLN  87  -2.368   1.846   7.987
  616   1HG   GLN  87          2HG       GLN  87  -1.595   1.445  10.275
  617   2HG   GLN  87          1HG       GLN  87  -0.991   3.099  10.388
  618   1HE2  GLN  87          1HE2      GLN  87  -4.056   2.229   8.796
  619   2HE2  GLN  87          2HE2      GLN  87  -5.054   3.013   9.917
  620    H    ILE  88           H        ILE  88   0.895   0.769   6.171
  621    HA   ILE  88           HA       ILE  88   0.095  -1.866   7.386
  622    HB   ILE  88           HB       ILE  88   0.917  -1.251   4.531
  623   1HG1  ILE  88          2HG1      ILE  88  -1.387  -0.460   5.415
  624   2HG1  ILE  88          1HG1      ILE  88  -1.354  -1.416   3.938
  625   1HG2  ILE  88          1HG2      ILE  88  -0.126  -3.688   4.332
  626   2HG2  ILE  88          2HG2      ILE  88   0.374  -3.795   6.015
  627   3HG2  ILE  88          3HG2      ILE  88   1.567  -3.464   4.768
  628   1HD1  ILE  88          1HD1      ILE  88  -3.042  -1.972   5.929
  629   2HD1  ILE  88          2HD1      ILE  88  -1.670  -2.903   6.516
  630   3HD1  ILE  88          3HD1      ILE  88  -2.349  -3.240   4.927
  631    H    ILE  89           H        ILE  89   1.627  -3.074   8.307
  632    HA   ILE  89           HA       ILE  89   4.494  -2.364   7.887
  633    HB   ILE  89           HB       ILE  89   2.886  -3.493  10.148
  634   1HG1  ILE  89          2HG1      ILE  89   4.287  -2.018  11.469
  635   2HG1  ILE  89          1HG1      ILE  89   5.374  -1.761  10.111
  636   1HG2  ILE  89          1HG2      ILE  89   5.754  -4.314   9.586
  637   2HG2  ILE  89          2HG2      ILE  89   4.377  -5.344   9.984
  638   3HG2  ILE  89          3HG2      ILE  89   5.075  -4.306  11.219
  639   1HD1  ILE  89          1HD1      ILE  89   2.455  -1.103   9.804
  640   2HD1  ILE  89          2HD1      ILE  89   3.848  -0.407   8.974
  641   3HD1  ILE  89          3HD1      ILE  89   3.513   0.022  10.650
  642    H    MET  90           H        MET  90   5.639  -3.625   6.591
  643    HA   MET  90           HA       MET  90   4.655  -6.217   5.733
  644   1HB   MET  90          2HB       MET  90   6.236  -4.319   4.568
  645   2HB   MET  90          1HB       MET  90   7.449  -5.501   5.051
  646   1HG   MET  90          2HG       MET  90   6.633  -6.002   2.804
  647   2HG   MET  90          1HG       MET  90   6.150  -7.273   3.911
  648   1HE   MET  90          1HE       MET  90   4.292  -8.352   3.343
  649   2HE   MET  90          2HE       MET  90   2.681  -7.733   3.009
  650   3HE   MET  90          3HE       MET  90   3.322  -7.643   4.638
  651    H    THR  91           H        THR  91   5.845  -8.204   5.887
  652    HA   THR  91           HA       THR  91   7.867  -8.416   8.028
  653    HB   THR  91           HB       THR  91   6.488 -10.356   9.021
  654    HG1  THR  91           1HG      THR  91   4.610  -9.026   7.404
  655   1HG2  THR  91          1HG2      THR  91   5.212  -8.846  10.475
  656   2HG2  THR  91          2HG2      THR  91   5.450  -7.530   9.321
  657   3HG2  THR  91          3HG2      THR  91   6.831  -8.215  10.182
  658    HA   PRO  92           HA       PRO  92   9.479 -11.397   5.198
  659   1HB   PRO  92          2HB       PRO  92  10.418 -13.341   6.986
  660   2HB   PRO  92          1HB       PRO  92  11.300 -11.876   6.524
  661   1HG   PRO  92          2HG       PRO  92   9.649 -12.403   8.949
  662   2HG   PRO  92          1HG       PRO  92  11.174 -11.510   8.789
  663   1HD   PRO  92          2HD       PRO  92   8.831 -10.218   9.043
  664   2HD   PRO  92          1HD       PRO  92  10.116  -9.587   7.983
  665    H    GLU  93           H        GLU  93   7.585 -12.834   7.875
  666    HA   GLU  93           HA       GLU  93   6.946 -15.270   6.600
  667   1HB   GLU  93          2HB       GLU  93   4.779 -15.091   8.011
  668   2HB   GLU  93          1HB       GLU  93   6.319 -15.106   8.871
  669   1HG   GLU  93          2HG       GLU  93   6.264 -12.770   9.255
  670   2HG   GLU  93          1HG       GLU  93   5.017 -12.512   8.035
  671    H    LEU  94           H        LEU  94   5.470 -12.068   6.265
  672    HA   LEU  94           HA       LEU  94   3.458 -13.151   4.414
  673   1HB   LEU  94          2HB       LEU  94   3.918 -10.468   5.689
  674   2HB   LEU  94          1HB       LEU  94   2.863 -10.555   4.312
  675    HG   LEU  94           HG       LEU  94   2.569 -12.105   6.908
  676   1HD1  LEU  94          1HD1      LEU  94   0.636 -10.731   7.292
  677   2HD1  LEU  94          2HD1      LEU  94   0.747 -10.032   5.676
  678   3HD1  LEU  94          3HD1      LEU  94   1.978  -9.658   6.886
  679   1HD2  LEU  94          1HD2      LEU  94   0.202 -12.497   5.614
  680   2HD2  LEU  94          2HD2      LEU  94   1.531 -13.625   5.521
  681   3HD2  LEU  94          3HD2      LEU  94   1.280 -12.455   4.236
  682    H    ASP  95           H        ASP  95   6.427 -12.963   3.817
  683    HA   ASP  95           HA       ASP  95   6.908 -11.123   1.734
  684   1HB   ASP  95          2HB       ASP  95   8.625 -12.681   0.969
  685   2HB   ASP  95          1HB       ASP  95   8.603 -12.681   2.735
  686    H    GLY  96           H        GLY  96   6.280 -11.038  -0.385
  687   1HA   GLY  96          2HA       GLY  96   5.647 -12.175  -2.502
  688   2HA   GLY  96          1HA       GLY  96   4.700 -13.316  -1.551
  689    H    ILE  97           H        ILE  97   4.271 -10.440  -0.140
  690    HA   ILE  97           HA       ILE  97   1.541 -10.184  -0.702
  691    HB   ILE  97           HB       ILE  97   2.131  -9.059   1.212
  692   1HG1  ILE  97          2HG1      ILE  97   2.162  -6.607   0.954
  693   2HG1  ILE  97          1HG1      ILE  97   2.421  -6.766  -0.765
  694   1HG2  ILE  97          1HG2      ILE  97   4.438  -9.276   1.249
  695   2HG2  ILE  97          2HG2      ILE  97   4.269  -7.533   1.145
  696   3HG2  ILE  97          3HG2      ILE  97   4.645  -8.453  -0.270
  697   1HD1  ILE  97          1HD1      ILE  97   0.226  -8.262  -0.628
  698   2HD1  ILE  97          2HD1      ILE  97   0.112  -6.506  -0.680
  699   3HD1  ILE  97          3HD1      ILE  97  -0.021  -7.350   0.859
  700    H    VAL  98           H        VAL  98   0.374  -9.373  -2.345
  701    HA   VAL  98           HA       VAL  98   1.818  -7.856  -4.503
  702    HB   VAL  98           HB       VAL  98  -0.931  -9.071  -4.753
  703   1HG1  VAL  98          1HG1      VAL  98   1.279  -8.598  -6.779
  704   2HG1  VAL  98          2HG1      VAL  98  -0.053  -7.479  -6.486
  705   3HG1  VAL  98          3HG1      VAL  98  -0.379  -9.092  -7.124
  706   1HG2  VAL  98          1HG2      VAL  98   0.266 -11.067  -5.748
  707   2HG2  VAL  98          2HG2      VAL  98   0.454 -10.900  -3.997
  708   3HG2  VAL  98          3HG2      VAL  98   1.765 -10.420  -5.079
  709    H    VAL  99           H        VAL  99   1.511  -5.679  -4.418
  710    HA   VAL  99           HA       VAL  99  -0.987  -4.586  -3.206
  711    HB   VAL  99           HB       VAL  99   1.370  -2.904  -4.067
  712   1HG1  VAL  99          1HG1      VAL  99  -0.599  -1.814  -3.089
  713   2HG1  VAL  99          2HG1      VAL  99   0.744  -1.701  -1.956
  714   3HG1  VAL  99          3HG1      VAL  99  -0.539  -2.884  -1.691
  715   1HG2  VAL  99          1HG2      VAL  99   2.336  -3.380  -1.723
  716   2HG2  VAL  99          2HG2      VAL  99   2.607  -4.584  -2.980
  717   3HG2  VAL  99          3HG2      VAL  99   1.362  -4.850  -1.760
  718    H    ASP 100           H        ASP 100  -2.445  -3.747  -4.578
  719    HA   ASP 100           HA       ASP 100  -1.678  -3.239  -7.419
  720   1HB   ASP 100          2HB       ASP 100  -4.063  -4.300  -6.048
  721   2HB   ASP 100          1HB       ASP 100  -4.424  -3.201  -7.381
  722    H    VAL 101           H        VAL 101  -1.385  -1.217  -7.985
  723    HA   VAL 101           HA       VAL 101  -2.637   0.967  -6.396
  724    HB   VAL 101           HB       VAL 101  -0.340   1.157  -8.350
  725   1HG1  VAL 101          1HG1      VAL 101   0.060   3.306  -7.221
  726   2HG1  VAL 101          2HG1      VAL 101  -1.320   3.022  -6.161
  727   3HG1  VAL 101          3HG1      VAL 101  -1.571   3.266  -7.896
  728   1HG2  VAL 101          1HG2      VAL 101  -0.374   0.823  -5.335
  729   2HG2  VAL 101          2HG2      VAL 101   1.056   1.264  -6.267
  730   3HG2  VAL 101          3HG2      VAL 101   0.295  -0.308  -6.511
  731    HA   PRO 102           HA       PRO 102  -5.188   1.622 -10.079
  732   1HB   PRO 102          2HB       PRO 102  -6.610   3.762  -9.246
  733   2HB   PRO 102          1HB       PRO 102  -6.814   2.172  -8.501
  734   1HG   PRO 102          2HG       PRO 102  -5.207   4.483  -7.535
  735   2HG   PRO 102          1HG       PRO 102  -6.330   3.440  -6.652
  736   1HD   PRO 102          2HD       PRO 102  -3.623   3.075  -6.573
  737   2HD   PRO 102          1HD       PRO 102  -4.791   1.746  -6.393
  738    H    ASP 103           H        ASP 103  -5.999   3.697 -11.278
  739    HA   ASP 103           HA       ASP 103  -3.625   5.106 -12.312
  740   1HB   ASP 103          2HB       ASP 103  -6.512   5.513 -13.140
  741   2HB   ASP 103          1HB       ASP 103  -5.059   5.854 -14.079
  742    H    ARG 104           H        ARG 104  -6.206   5.613 -10.094
  743    HA   ARG 104           HA       ARG 104  -5.424   8.486  -9.775
  744   1HB   ARG 104          2HB       ARG 104  -8.185   7.610  -8.949
  745   2HB   ARG 104          1HB       ARG 104  -7.635   9.169  -9.555
  746   1HG   ARG 104          2HG       ARG 104  -7.310   7.370 -11.748
  747   2HG   ARG 104          1HG       ARG 104  -8.860   6.952 -11.029
  748   1HD   ARG 104          2HD       ARG 104  -9.329   8.636 -12.633
  749   2HD   ARG 104          1HD       ARG 104  -9.355   9.479 -11.088
  750    HE   ARG 104           HE       ARG 104  -6.701   9.596 -12.021
  751   1HH1  ARG 104          1HH2      ARG 104  -9.860  10.649 -12.932
  752   2HH1  ARG 104          2HH2      ARG 104  -9.291  12.030 -13.808
  753   1HH2  ARG 104          1HH1      ARG 104  -5.940  11.369 -13.175
  754   2HH2  ARG 104          2HH1      ARG 104  -7.061  12.440 -13.947
  755    H    GLN 105           H        GLN 105  -4.395   8.605  -7.779
  756    HA   GLN 105           HA       GLN 105  -5.477   6.875  -5.599
  757   1HB   GLN 105          2HB       GLN 105  -2.994   6.827  -4.814
  758   2HB   GLN 105          1HB       GLN 105  -3.482   5.755  -6.127
  759   1HG   GLN 105          2HG       GLN 105  -2.655   7.394  -7.783
  760   2HG   GLN 105          1HG       GLN 105  -2.158   8.464  -6.471
  761   1HE2  GLN 105          1HE2      GLN 105  -1.781   5.142  -5.676
  762   2HE2  GLN 105          2HE2      GLN 105  -0.114   5.026  -5.966
  763    H    TRP 106           H        TRP 106  -4.904   9.940  -6.695
  764    HA   TRP 106           HA       TRP 106  -4.914  12.030  -5.667
  765   1HB   TRP 106          2HB       TRP 106  -6.574  10.383  -4.113
  766   2HB   TRP 106          1HB       TRP 106  -5.513  11.109  -2.923
  767    HD1  TRP 106           HD       TRP 106  -8.713  11.713  -3.621
  768    HE1  TRP 106           1HE      TRP 106  -9.394  14.182  -3.859
  769    HE3  TRP 106           3HE      TRP 106  -4.129  13.838  -4.470
  770    HZ2  TRP 106           2HZ      TRP 106  -8.174  16.715  -4.360
  771    HZ3  TRP 106           3HZ      TRP 106  -3.930  16.274  -4.817
  772    HH2  TRP 106           HH       TRP 106  -5.942  17.717  -4.762
  Start of MODEL    5
    1   1H    SER   1          1HT       SER   1  11.567  -8.358   2.752
    2   2H    SER   1          2HT       SER   1  11.592  -9.462   4.037
    3   3H    SER   1          3HT       SER   1  10.578  -8.101   4.104
    4    HA   SER   1           HA       SER   1  10.134 -10.660   2.900
    5   1HB   SER   1          2HB       SER   1   7.968  -8.633   2.976
    6   2HB   SER   1          1HB       SER   1   8.027 -10.238   3.691
    7    HG   SER   1           HG       SER   1   9.010  -9.432   5.448
    8    H    LYS   2           H        LYS   2   8.850 -10.879   0.850
    9    HA   LYS   2           HA       LYS   2   9.965  -9.115  -1.215
   10   1HB   LYS   2          2HB       LYS   2   8.535 -11.733  -1.085
   11   2HB   LYS   2          1HB       LYS   2   8.261 -10.789  -2.541
   12   1HG   LYS   2          2HG       LYS   2  11.065 -11.246  -1.516
   13   2HG   LYS   2          1HG       LYS   2  10.263 -12.474  -2.490
   14   1HD   LYS   2          2HD       LYS   2   9.846 -10.690  -4.234
   15   2HD   LYS   2          1HD       LYS   2  10.872  -9.614  -3.285
   16   1HE   LYS   2          2HE       LYS   2  12.757 -11.131  -3.512
   17   2HE   LYS   2          1HE       LYS   2  11.745 -12.322  -4.327
   18   1HZ   LYS   2          1HZ       LYS   2  12.905 -11.154  -5.994
   19   2HZ   LYS   2          2HZ       LYS   2  12.544  -9.643  -5.305
   20   3HZ   LYS   2          3HZ       LYS   2  11.315 -10.563  -6.035
   21    H    VAL   3           H        VAL   3   8.888  -7.247  -1.750
   22    HA   VAL   3           HA       VAL   3   5.941  -7.149  -1.332
   23    HB   VAL   3           HB       VAL   3   8.134  -5.082  -1.181
   24   1HG1  VAL   3          1HG1      VAL   3   5.986  -4.214  -2.268
   25   2HG1  VAL   3          2HG1      VAL   3   6.550  -3.368  -0.831
   26   3HG1  VAL   3          3HG1      VAL   3   5.209  -4.510  -0.711
   27   1HG2  VAL   3          1HG2      VAL   3   6.964  -4.837   1.154
   28   2HG2  VAL   3          2HG2      VAL   3   8.068  -6.180   0.880
   29   3HG2  VAL   3          3HG2      VAL   3   6.331  -6.439   0.806
   30    H    VAL   4           H        VAL   4   4.836  -7.141  -3.220
   31    HA   VAL   4           HA       VAL   4   6.272  -6.180  -5.678
   32    HB   VAL   4           HB       VAL   4   4.075  -8.186  -5.319
   33   1HG1  VAL   4          1HG1      VAL   4   4.357  -8.470  -7.838
   34   2HG1  VAL   4          2HG1      VAL   4   5.201  -6.922  -7.815
   35   3HG1  VAL   4          3HG1      VAL   4   3.511  -7.013  -7.324
   36   1HG2  VAL   4          1HG2      VAL   4   5.764  -9.673  -6.432
   37   2HG2  VAL   4          2HG2      VAL   4   6.266  -9.080  -4.841
   38   3HG2  VAL   4          3HG2      VAL   4   6.920  -8.347  -6.305
   39    H    TYR   5           H        TYR   5   5.492  -4.544  -6.701
   40    HA   TYR   5           HA       TYR   5   2.872  -3.336  -5.946
   41   1HB   TYR   5          2HB       TYR   5   5.366  -2.089  -7.131
   42   2HB   TYR   5          1HB       TYR   5   3.826  -1.243  -6.989
   43    HD1  TYR   5           1HD      TYR   5   6.553  -2.861  -5.081
   44    HD2  TYR   5           2HD      TYR   5   3.054  -0.388  -4.873
   45    HE1  TYR   5           1HE      TYR   5   7.108  -2.250  -2.760
   46    HE2  TYR   5           2HE      TYR   5   3.632   0.231  -2.541
   47    HH   TYR   5           HH       TYR   5   6.713  -0.616  -1.136
   48    H    VAL   6           H        VAL   6   1.329  -3.739  -7.457
   49    HA   VAL   6           HA       VAL   6   2.188  -4.205 -10.290
   50    HB   VAL   6           HB       VAL   6  -0.410  -4.807  -8.855
   51   1HG1  VAL   6          1HG1      VAL   6   0.402  -5.075 -11.751
   52   2HG1  VAL   6          2HG1      VAL   6  -0.994  -4.219 -11.093
   53   3HG1  VAL   6          3HG1      VAL   6  -0.941  -5.981 -11.049
   54   1HG2  VAL   6          1HG2      VAL   6   1.265  -6.405  -8.253
   55   2HG2  VAL   6          2HG2      VAL   6   1.867  -6.488  -9.914
   56   3HG2  VAL   6          3HG2      VAL   6   0.289  -7.169  -9.509
   57    H    SER   7           H        SER   7   2.260  -2.346 -11.305
   58    HA   SER   7           HA       SER   7   0.794  -0.008 -10.456
   59   1HB   SER   7          2HB       SER   7   1.970   1.165 -12.135
   60   2HB   SER   7          1HB       SER   7   3.088  -0.079 -11.582
   61    HG   SER   7           HG       SER   7   1.349  -0.291 -13.823
   62    H    HIS   8           H        HIS   8  -0.142   1.302 -12.436
   63    HA   HIS   8           HA       HIS   8  -2.565  -0.149 -13.218
   64   1HB   HIS   8          2HB       HIS   8  -2.556   2.401 -14.497
   65   2HB   HIS   8          1HB       HIS   8  -3.407   1.967 -13.026
   66    HD1  HIS   8           1HD      HIS   8  -1.165   1.751 -10.993
   67    HD2  HIS   8           2HD      HIS   8  -1.295   4.770 -13.875
   68    HE1  HIS   8           1HE      HIS   8   0.245   3.657 -10.103
   69    HE2  HIS   8           2HE      HIS   8   0.175   5.498 -11.847
   70    H    ASP   9           H        ASP   9   0.191   1.415 -14.860
   71    HA   ASP   9           HA       ASP   9  -0.595   0.693 -17.493
   72   1HB   ASP   9          2HB       ASP   9   2.037   0.838 -17.838
   73   2HB   ASP   9          1HB       ASP   9   1.107   2.291 -17.476
   74    H    GLY  10           H        GLY  10   0.279  -1.324 -14.926
   75   1HA   GLY  10          2HA       GLY  10   0.181  -3.725 -15.147
   76   2HA   GLY  10          1HA       GLY  10   0.705  -3.583 -16.817
   77    H    THR  11           H        THR  11   2.768  -1.532 -15.462
   78    HA   THR  11           HA       THR  11   4.929  -3.421 -15.499
   79    HB   THR  11           HB       THR  11   4.790  -0.741 -15.840
   80    HG1  THR  11           1HG      THR  11   6.478  -1.951 -16.564
   81   1HG2  THR  11          1HG2      THR  11   5.900   0.442 -14.091
   82   2HG2  THR  11          2HG2      THR  11   6.215  -1.045 -13.195
   83   3HG2  THR  11          3HG2      THR  11   4.570  -0.431 -13.336
   84    H    ARG  12           H        ARG  12   5.819  -4.560 -13.935
   85    HA   ARG  12           HA       ARG  12   4.704  -4.340 -11.166
   86   1HB   ARG  12          2HB       ARG  12   6.298  -6.603 -12.402
   87   2HB   ARG  12          1HB       ARG  12   5.424  -6.639 -10.872
   88   1HG   ARG  12          2HG       ARG  12   3.304  -6.414 -11.984
   89   2HG   ARG  12          1HG       ARG  12   4.074  -6.101 -13.529
   90   1HD   ARG  12          2HD       ARG  12   4.154  -8.322 -13.962
   91   2HD   ARG  12          1HD       ARG  12   5.047  -8.628 -12.480
   92    HE   ARG  12           HE       ARG  12   2.636  -8.442 -11.410
   93   1HH1  ARG  12          1HH2      ARG  12   3.385  -9.737 -14.555
   94   2HH1  ARG  12          2HH2      ARG  12   2.158 -10.940 -14.471
   95   1HH2  ARG  12          1HH1      ARG  12   1.078 -10.025 -11.315
   96   2HH2  ARG  12          2HH1      ARG  12   0.852 -11.111 -12.643
   97    H    ARG  13           H        ARG  13   6.007  -3.752  -9.452
   98    HA   ARG  13           HA       ARG  13   8.970  -3.683  -9.862
   99   1HB   ARG  13          2HB       ARG  13   7.284  -1.478  -9.593
  100   2HB   ARG  13          1HB       ARG  13   7.796  -1.737  -7.942
  101   1HG   ARG  13          2HG       ARG  13   9.618  -0.498  -8.492
  102   2HG   ARG  13          1HG       ARG  13  10.217  -1.920  -9.316
  103   1HD   ARG  13          2HD       ARG  13  10.339  -0.330 -11.021
  104   2HD   ARG  13          1HD       ARG  13   8.725  -0.975 -11.307
  105    HE   ARG  13           HE       ARG  13   9.076   1.422  -9.564
  106   1HH1  ARG  13          1HH2      ARG  13   7.844  -0.025 -12.474
  107   2HH1  ARG  13          2HH2      ARG  13   6.701   1.240 -12.741
  108   1HH2  ARG  13          1HH1      ARG  13   7.613   3.054  -9.944
  109   2HH2  ARG  13          2HH1      ARG  13   6.572   2.984 -11.321
  110    H    GLU  14           H        GLU  14   9.895  -5.066  -8.372
  111    HA   GLU  14           HA       GLU  14   8.376  -5.705  -5.894
  112   1HB   GLU  14          2HB       GLU  14  10.704  -7.331  -6.890
  113   2HB   GLU  14          1HB       GLU  14   9.303  -7.845  -5.952
  114   1HG   GLU  14          2HG       GLU  14   8.817  -8.682  -8.090
  115   2HG   GLU  14          1HG       GLU  14   7.919  -7.164  -8.053
  116    H    LEU  15           H        LEU  15   9.248  -5.135  -3.911
  117    HA   LEU  15           HA       LEU  15  12.141  -4.323  -3.788
  118   1HB   LEU  15          2HB       LEU  15  10.294  -3.156  -1.748
  119   2HB   LEU  15          1HB       LEU  15  11.624  -2.401  -2.597
  120    HG   LEU  15           HG       LEU  15   8.929  -2.994  -3.735
  121   1HD1  LEU  15          1HD1      LEU  15   8.502  -0.611  -3.445
  122   2HD1  LEU  15          2HD1      LEU  15  10.153  -0.337  -2.915
  123   3HD1  LEU  15          3HD1      LEU  15   9.037  -1.245  -1.904
  124   1HD2  LEU  15          1HD2      LEU  15   9.640  -2.050  -5.744
  125   2HD2  LEU  15          2HD2      LEU  15  11.179  -2.720  -5.220
  126   3HD2  LEU  15          3HD2      LEU  15  10.833  -1.018  -4.954
  127    H    ASP  16           H        ASP  16  12.895  -4.300  -1.529
  128    HA   ASP  16           HA       ASP  16  11.847  -6.637   0.023
  129   1HB   ASP  16          2HB       ASP  16  14.294  -6.645  -0.807
  130   2HB   ASP  16          1HB       ASP  16  14.568  -5.310   0.305
  131    H    VAL  17           H        VAL  17  10.571  -5.840   1.691
  132    HA   VAL  17           HA       VAL  17  11.285  -3.173   2.892
  133    HB   VAL  17           HB       VAL  17   8.565  -4.568   2.901
  134   1HG1  VAL  17          1HG1      VAL  17   8.360  -2.971   4.544
  135   2HG1  VAL  17          2HG1      VAL  17   7.996  -1.962   3.149
  136   3HG1  VAL  17          3HG1      VAL  17   9.608  -1.927   3.864
  137   1HG2  VAL  17          1HG2      VAL  17   9.796  -2.554   1.002
  138   2HG2  VAL  17          2HG2      VAL  17   8.061  -2.819   1.107
  139   3HG2  VAL  17          3HG2      VAL  17   9.135  -4.125   0.610
  140    H    ALA  18           H        ALA  18  12.153  -3.361   4.837
  141    HA   ALA  18           HA       ALA  18  12.427  -5.896   6.145
  142   1HB   ALA  18          1HB       ALA  18  13.902  -4.816   7.554
  143   2HB   ALA  18          2HB       ALA  18  12.884  -3.386   7.716
  144   3HB   ALA  18          3HB       ALA  18  13.847  -3.625   6.260
  145    H    ASP  19           H        ASP  19  11.814  -6.321   8.384
  146    HA   ASP  19           HA       ASP  19   8.998  -6.220   8.793
  147   1HB   ASP  19          2HB       ASP  19   9.652  -6.920  11.172
  148   2HB   ASP  19          1HB       ASP  19  10.226  -7.967   9.877
  149    H    GLY  20           H        GLY  20   7.772  -4.923   9.943
  150   1HA   GLY  20          2HA       GLY  20   7.166  -3.102  11.379
  151   2HA   GLY  20          1HA       GLY  20   8.869  -2.852  11.706
  152    H    VAL  21           H        VAL  21   8.761  -2.921   8.349
  153    HA   VAL  21           HA       VAL  21   8.751   0.037   8.311
  154    HB   VAL  21           HB       VAL  21   9.407  -1.935   6.128
  155   1HG1  VAL  21          1HG1      VAL  21  10.609   0.012   5.158
  156   2HG1  VAL  21          2HG1      VAL  21   9.897   1.009   6.425
  157   3HG1  VAL  21          3HG1      VAL  21   8.859   0.216   5.239
  158   1HG2  VAL  21          1HG2      VAL  21  11.705  -1.711   6.632
  159   2HG2  VAL  21          2HG2      VAL  21  10.905  -2.084   8.162
  160   3HG2  VAL  21          3HG2      VAL  21  11.392  -0.426   7.804
  161    H    SER  22           H        SER  22   7.385   1.188   6.872
  162    HA   SER  22           HA       SER  22   4.902  -0.269   6.128
  163   1HB   SER  22          2HB       SER  22   3.855   1.857   6.039
  164   2HB   SER  22          1HB       SER  22   4.955   1.972   7.412
  165    HG   SER  22           HG       SER  22   5.593   2.766   4.758
  166    H    LEU  23           H        LEU  23   4.166  -0.324   3.969
  167    HA   LEU  23           HA       LEU  23   6.065  -0.502   1.870
  168   1HB   LEU  23          2HB       LEU  23   3.145   0.239   1.614
  169   2HB   LEU  23          1HB       LEU  23   4.136  -0.524   0.386
  170    HG   LEU  23           HG       LEU  23   3.280  -1.717   3.036
  171   1HD1  LEU  23          1HD1      LEU  23   1.535  -1.896   1.416
  172   2HD1  LEU  23          2HD1      LEU  23   2.339  -3.466   1.436
  173   3HD1  LEU  23          3HD1      LEU  23   2.672  -2.321   0.133
  174   1HD2  LEU  23          1HD2      LEU  23   4.488  -3.787   1.991
  175   2HD2  LEU  23          2HD2      LEU  23   5.466  -2.556   2.783
  176   3HD2  LEU  23          3HD2      LEU  23   5.353  -2.593   1.022
  177    H    MET  24           H        MET  24   4.870   2.212   3.465
  178    HA   MET  24           HA       MET  24   5.119   4.087   1.217
  179   1HB   MET  24          2HB       MET  24   3.509   4.853   2.716
  180   2HB   MET  24          1HB       MET  24   4.341   4.171   4.104
  181   1HG   MET  24          2HG       MET  24   4.319   6.693   4.036
  182   2HG   MET  24          1HG       MET  24   5.928   5.988   4.141
  183   1HE   MET  24          1HE       MET  24   4.340   8.955   2.560
  184   2HE   MET  24          2HE       MET  24   5.984   9.309   2.029
  185   3HE   MET  24          3HE       MET  24   5.701   8.672   3.651
  186    H    GLN  25           H        GLN  25   6.992   2.982   3.985
  187    HA   GLN  25           HA       GLN  25   9.059   4.989   3.760
  188   1HB   GLN  25          2HB       GLN  25   8.557   2.532   5.322
  189   2HB   GLN  25          1HB       GLN  25  10.266   2.826   5.016
  190   1HG   GLN  25          2HG       GLN  25   9.413   3.862   7.148
  191   2HG   GLN  25          1HG       GLN  25  10.131   5.022   6.026
  192   1HE2  GLN  25          1HE2      GLN  25   6.986   3.764   7.188
  193   2HE2  GLN  25          2HE2      GLN  25   6.091   5.132   6.731
  194    H    ALA  26           H        ALA  26   8.976   1.499   2.767
  195    HA   ALA  26           HA       ALA  26  11.518   1.709   1.397
  196   1HB   ALA  26          1HB       ALA  26  10.804  -0.443   2.133
  197   2HB   ALA  26          2HB       ALA  26  10.764  -0.489   0.374
  198   3HB   ALA  26          3HB       ALA  26   9.267  -0.296   1.288
  199    H    ALA  27           H        ALA  27   8.200   2.295   0.258
  200    HA   ALA  27           HA       ALA  27   8.855   2.077  -2.521
  201   1HB   ALA  27          1HB       ALA  27   6.541   2.015  -1.779
  202   2HB   ALA  27          2HB       ALA  27   6.772   3.393  -2.850
  203   3HB   ALA  27          3HB       ALA  27   6.683   3.643  -1.110
  204    H    VAL  28           H        VAL  28   8.483   4.980  -0.444
  205    HA   VAL  28           HA       VAL  28   9.195   6.942  -2.307
  206    HB   VAL  28           HB       VAL  28   9.837   6.761   0.645
  207   1HG1  VAL  28          1HG1      VAL  28  11.364   8.376  -0.203
  208   2HG1  VAL  28          2HG1      VAL  28  10.004   9.307   0.418
  209   3HG1  VAL  28          3HG1      VAL  28  10.162   9.037  -1.310
  210   1HG2  VAL  28          1HG2      VAL  28   7.749   8.466  -0.710
  211   2HG2  VAL  28          2HG2      VAL  28   7.850   8.009   0.983
  212   3HG2  VAL  28          3HG2      VAL  28   7.407   6.806  -0.224
  213    H    SER  29           H        SER  29  11.183   4.495  -0.892
  214    HA   SER  29           HA       SER  29  13.706   5.881  -1.577
  215   1HB   SER  29          2HB       SER  29  14.416   4.660   0.194
  216   2HB   SER  29          1HB       SER  29  12.844   3.884   0.258
  217    HG   SER  29           HG       SER  29  13.904   2.167  -0.305
  218    H    ASN  30           H        ASN  30  11.545   3.524  -2.903
  219    HA   ASN  30           HA       ASN  30  13.628   2.542  -4.802
  220   1HB   ASN  30          2HB       ASN  30  10.888   1.615  -3.965
  221   2HB   ASN  30          1HB       ASN  30  11.591   1.067  -5.488
  222   1HD2  ASN  30          1HD2      ASN  30  12.398   1.302  -1.983
  223   2HD2  ASN  30          2HD2      ASN  30  13.339  -0.111  -1.951
  224    H    GLY  31           H        GLY  31  11.900   5.243  -4.603
  225   1HA   GLY  31          2HA       GLY  31  11.177   6.734  -6.268
  226   2HA   GLY  31          1HA       GLY  31  11.869   5.628  -7.446
  227    H    ILE  32           H        ILE  32   9.291   4.778  -5.176
  228    HA   ILE  32           HA       ILE  32   7.493   4.313  -7.530
  229    HB   ILE  32           HB       ILE  32   7.764   2.927  -4.884
  230   1HG1  ILE  32          2HG1      ILE  32   8.026   1.795  -7.672
  231   2HG1  ILE  32          1HG1      ILE  32   9.400   2.504  -6.815
  232   1HG2  ILE  32          1HG2      ILE  32   5.450   2.814  -5.258
  233   2HG2  ILE  32          2HG2      ILE  32   6.043   1.325  -5.993
  234   3HG2  ILE  32          3HG2      ILE  32   5.644   2.715  -7.011
  235   1HD1  ILE  32          1HD1      ILE  32   9.429   0.153  -6.370
  236   2HD1  ILE  32          2HD1      ILE  32   7.724   0.146  -5.939
  237   3HD1  ILE  32          3HD1      ILE  32   8.900   0.958  -4.914
  238    H    TYR  33           H        TYR  33   7.563   5.504  -4.206
  239    HA   TYR  33           HA       TYR  33   4.728   5.968  -4.161
  240   1HB   TYR  33          2HB       TYR  33   6.832   5.914  -2.298
  241   2HB   TYR  33          1HB       TYR  33   6.237   7.566  -2.225
  242    HD1  TYR  33           1HD      TYR  33   4.640   4.179  -2.687
  243    HD2  TYR  33           2HD      TYR  33   4.703   7.875  -0.491
  244    HE1  TYR  33           1HE      TYR  33   2.725   3.402  -1.324
  245    HE2  TYR  33           2HE      TYR  33   2.781   7.096   0.863
  246    HH   TYR  33           HH       TYR  33   1.525   5.302   1.405
  247    H    ASP  34           H        ASP  34   6.766   7.550  -6.157
  248    HA   ASP  34           HA       ASP  34   6.645  10.258  -5.719
  249   1HB   ASP  34          2HB       ASP  34   6.466  10.473  -8.241
  250   2HB   ASP  34          1HB       ASP  34   7.762   9.430  -7.660
  251    H    ILE  35           H        ILE  35   4.451   9.653  -4.562
  252    HA   ILE  35           HA       ILE  35   2.131  10.590  -6.235
  253    HB   ILE  35           HB       ILE  35   1.999   9.441  -3.430
  254   1HG1  ILE  35          2HG1      ILE  35   1.621   8.074  -6.118
  255   2HG1  ILE  35          1HG1      ILE  35   2.958   7.791  -5.006
  256   1HG2  ILE  35          1HG2      ILE  35  -0.349   9.216  -3.902
  257   2HG2  ILE  35          2HG2      ILE  35  -0.109   9.655  -5.589
  258   3HG2  ILE  35          3HG2      ILE  35   0.100  10.867  -4.329
  259   1HD1  ILE  35          1HD1      ILE  35   0.026   7.229  -4.485
  260   2HD1  ILE  35          2HD1      ILE  35   1.290   7.091  -3.265
  261   3HD1  ILE  35          3HD1      ILE  35   1.313   6.038  -4.683
  262    H    VAL  36           H        VAL  36   2.540  10.987  -2.726
  263    HA   VAL  36           HA       VAL  36   3.305  13.755  -2.841
  264    HB   VAL  36           HB       VAL  36   0.964  13.903  -3.763
  265   1HG1  VAL  36          1HG1      VAL  36  -0.915  13.374  -2.419
  266   2HG1  VAL  36          2HG1      VAL  36   0.071  13.195  -0.966
  267   3HG1  VAL  36          3HG1      VAL  36   0.165  11.991  -2.256
  268   1HG2  VAL  36          1HG2      VAL  36   1.893  15.855  -2.687
  269   2HG2  VAL  36          2HG2      VAL  36   1.561  15.192  -1.087
  270   3HG2  VAL  36          3HG2      VAL  36   0.228  15.682  -2.132
  271    H    GLY  37           H        GLY  37   4.150  14.215  -0.868
  272   1HA   GLY  37          2HA       GLY  37   3.762  12.292   1.315
  273   2HA   GLY  37          1HA       GLY  37   4.849  13.683   1.334
  274    H    ASP  38           H        ASP  38   1.326  13.067   1.139
  275    HA   ASP  38           HA       ASP  38   0.609  15.615   2.248
  276   1HB   ASP  38          2HB       ASP  38  -0.940  14.151   0.937
  277   2HB   ASP  38          1HB       ASP  38  -0.986  13.041   2.312
  278    H    CYS  39           H        CYS  39   0.011  12.461   3.841
  279    HA   CYS  39           HA       CYS  39   0.440  13.821   6.460
  280   1HB   CYS  39          2HB       CYS  39  -0.784  12.072   7.455
  281   2HB   CYS  39          1HB       CYS  39  -1.611  12.359   5.932
  282    H    GLY  40           H        GLY  40   2.077  11.759   4.276
  283   1HA   GLY  40          2HA       GLY  40   4.238  10.840   4.433
  284   2HA   GLY  40          1HA       GLY  40   4.396  11.648   5.995
  285    H    GLY  41           H        GLY  41   1.616   9.677   5.710
  286   1HA   GLY  41          2HA       GLY  41   1.343   7.335   6.259
  287   2HA   GLY  41          1HA       GLY  41   2.984   7.310   6.897
  288    H    SER  42           H        SER  42   0.929   9.980   7.725
  289    HA   SER  42           HA       SER  42   0.846   9.004  10.545
  290   1HB   SER  42          2HB       SER  42   0.046  11.757   9.603
  291   2HB   SER  42          1HB       SER  42   0.597  11.261  11.199
  292    HG   SER  42           HG       SER  42   2.375  10.680   9.205
  293    H    ALA  43           H        ALA  43  -0.966   8.339   8.108
  294    HA   ALA  43           HA       ALA  43  -3.241   7.928   7.739
  295   1HB   ALA  43          1HB       ALA  43  -2.951   6.637   9.817
  296   2HB   ALA  43          2HB       ALA  43  -4.552   7.369   9.746
  297   3HB   ALA  43          3HB       ALA  43  -3.302   8.081  10.767
  298    H    SER  44           H        SER  44  -3.054  10.331   6.936
  299    HA   SER  44           HA       SER  44  -5.306  11.790   8.200
  300   1HB   SER  44          2HB       SER  44  -2.930  13.467   7.469
  301   2HB   SER  44          1HB       SER  44  -4.143  13.720   8.724
  302    HG   SER  44           HG       SER  44  -2.710  12.900  10.011
  303    H    CYS  45           H        CYS  45  -4.073  10.481   5.486
  304    HA   CYS  45           HA       CYS  45  -5.635  12.343   3.775
  305   1HB   CYS  45          2HB       CYS  45  -3.928  12.782   2.244
  306   2HB   CYS  45          1HB       CYS  45  -3.042  12.819   3.757
  307    H    ALA  46           H        ALA  46  -5.446  11.197   1.375
  308    HA   ALA  46           HA       ALA  46  -5.725   8.246   1.719
  309   1HB   ALA  46          1HB       ALA  46  -7.790   9.662   0.058
  310   2HB   ALA  46          2HB       ALA  46  -7.961   9.717   1.810
  311   3HB   ALA  46          3HB       ALA  46  -7.924   8.164   0.983
  312    H    THR  47           H        THR  47  -3.723  10.031   0.459
  313    HA   THR  47           HA       THR  47  -4.112   9.834  -2.418
  314    HB   THR  47           HB       THR  47  -2.708  11.589  -1.262
  315    HG1  THR  47           1HG      THR  47  -0.816  10.600  -2.835
  316   1HG2  THR  47          1HG2      THR  47  -0.519   9.536  -1.117
  317   2HG2  THR  47          2HG2      THR  47  -1.639   9.697   0.228
  318   3HG2  THR  47          3HG2      THR  47  -0.657  11.073  -0.265
  319    H    CYS  48           H        CYS  48  -2.585   7.927   0.074
  320    HA   CYS  48           HA       CYS  48  -1.178   6.163  -1.761
  321   1HB   CYS  48          2HB       CYS  48  -0.851   4.785   0.339
  322   2HB   CYS  48          1HB       CYS  48  -0.245   6.439   0.432
  323    H    HIS  49           H        HIS  49  -3.995   6.414  -2.335
  324    HA   HIS  49           HA       HIS  49  -5.501   4.162  -1.340
  325   1HB   HIS  49          2HB       HIS  49  -6.799   5.911  -2.270
  326   2HB   HIS  49          1HB       HIS  49  -5.747   6.070  -3.654
  327    HD1  HIS  49           1HD      HIS  49  -8.420   3.689  -2.282
  328    HD2  HIS  49           2HD      HIS  49  -6.491   4.606  -5.841
  329    HE1  HIS  49           1HE      HIS  49  -9.627   2.398  -4.126
  330    HE2  HIS  49           2HE      HIS  49  -8.448   2.961  -6.287
  331    H    VAL  50           H        VAL  50  -4.865   2.036  -1.741
  332    HA   VAL  50           HA       VAL  50  -4.317   1.314  -4.569
  333    HB   VAL  50           HB       VAL  50  -2.248   0.288  -4.241
  334   1HG1  VAL  50          1HG1      VAL  50  -2.140   2.787  -3.952
  335   2HG1  VAL  50          2HG1      VAL  50  -0.795   1.903  -3.231
  336   3HG1  VAL  50          3HG1      VAL  50  -2.093   2.514  -2.211
  337   1HG2  VAL  50          1HG2      VAL  50  -1.331  -0.070  -1.846
  338   2HG2  VAL  50          2HG2      VAL  50  -2.613  -1.149  -2.404
  339   3HG2  VAL  50          3HG2      VAL  50  -2.994   0.192  -1.314
  340    H    TYR  51           H        TYR  51  -4.076  -1.240  -4.589
  341    HA   TYR  51           HA       TYR  51  -6.214  -2.339  -2.809
  342   1HB   TYR  51          2HB       TYR  51  -5.517  -2.922  -5.670
  343   2HB   TYR  51          1HB       TYR  51  -6.750  -3.758  -4.771
  344    HD1  TYR  51           1HD      TYR  51  -8.549  -2.108  -3.565
  345    HD2  TYR  51           2HD      TYR  51  -6.080  -1.052  -6.939
  346    HE1  TYR  51           1HE      TYR  51 -10.071  -0.249  -4.114
  347    HE2  TYR  51           2HE      TYR  51  -7.628   0.766  -7.457
  348    HH   TYR  51           HH       TYR  51 -10.422   1.502  -5.479
  349    H    VAL  52           H        VAL  52  -5.383  -3.678  -1.463
  350    HA   VAL  52           HA       VAL  52  -2.820  -5.097  -1.936
  351    HB   VAL  52           HB       VAL  52  -4.553  -5.413   0.522
  352   1HG1  VAL  52          1HG1      VAL  52  -2.484  -6.855   0.006
  353   2HG1  VAL  52          2HG1      VAL  52  -2.548  -6.074   1.586
  354   3HG1  VAL  52          3HG1      VAL  52  -1.546  -5.391   0.301
  355   1HG2  VAL  52          1HG2      VAL  52  -3.119  -3.557   1.501
  356   2HG2  VAL  52          2HG2      VAL  52  -4.317  -3.024   0.317
  357   3HG2  VAL  52          3HG2      VAL  52  -2.621  -3.174  -0.139
  358    H    ASN  53           H        ASN  53  -2.732  -7.241  -2.555
  359    HA   ASN  53           HA       ASN  53  -4.998  -8.632  -3.469
  360   1HB   ASN  53          2HB       ASN  53  -2.899  -9.460  -4.135
  361   2HB   ASN  53          1HB       ASN  53  -2.323  -9.614  -2.479
  362   1HD2  ASN  53          1HD2      ASN  53  -1.877 -11.914  -3.486
  363   2HD2  ASN  53          2HD2      ASN  53  -3.120 -13.057  -3.306
  364    H    GLU  54           H        GLU  54  -6.728  -9.339  -2.372
  365    HA   GLU  54           HA       GLU  54  -7.184  -9.159   0.347
  366   1HB   GLU  54          2HB       GLU  54  -8.962 -10.909   0.008
  367   2HB   GLU  54          1HB       GLU  54  -9.004  -9.592  -1.162
  368   1HG   GLU  54          2HG       GLU  54  -7.934 -10.939  -2.837
  369   2HG   GLU  54          1HG       GLU  54  -7.557 -12.204  -1.670
  370    H    ALA  55           H        ALA  55  -4.877 -11.235  -0.921
  371    HA   ALA  55           HA       ALA  55  -5.323 -13.418   0.993
  372   1HB   ALA  55          1HB       ALA  55  -3.172 -12.882  -1.053
  373   2HB   ALA  55          2HB       ALA  55  -4.464 -14.080  -1.129
  374   3HB   ALA  55          3HB       ALA  55  -3.146 -14.275   0.019
  375    H    PHE  56           H        PHE  56  -3.624 -10.359   1.080
  376    HA   PHE  56           HA       PHE  56  -1.965 -11.308   3.382
  377   1HB   PHE  56          2HB       PHE  56  -1.627  -9.052   1.379
  378   2HB   PHE  56          1HB       PHE  56  -0.582  -9.279   2.780
  379    HD1  PHE  56           1HD      PHE  56  -1.896 -11.089  -0.229
  380    HD2  PHE  56           2HD      PHE  56   1.309 -10.677   2.582
  381    HE1  PHE  56           1HE      PHE  56  -0.578 -12.776  -1.480
  382    HE2  PHE  56           2HE      PHE  56   2.612 -12.371   1.367
  383    HZ   PHE  56           HZ       PHE  56   1.681 -13.420  -0.678
  384    H    THR  57           H        THR  57  -4.662  -9.632   2.429
  385    HA   THR  57           HA       THR  57  -4.599  -7.328   4.166
  386    HB   THR  57           HB       THR  57  -7.123  -7.382   3.777
  387    HG1  THR  57           1HG      THR  57  -6.276  -9.753   2.567
  388   1HG2  THR  57          1HG2      THR  57  -6.818  -7.004   1.273
  389   2HG2  THR  57          2HG2      THR  57  -5.124  -7.428   1.522
  390   3HG2  THR  57          3HG2      THR  57  -5.815  -6.026   2.347
  391    H    ASP  58           H        ASP  58  -5.890 -10.626   4.547
  392    HA   ASP  58           HA       ASP  58  -6.953  -9.958   7.215
  393   1HB   ASP  58          2HB       ASP  58  -7.884 -12.195   7.183
  394   2HB   ASP  58          1HB       ASP  58  -8.168 -11.467   5.603
  395    H    LYS  59           H        LYS  59  -3.964 -10.513   6.156
  396    HA   LYS  59           HA       LYS  59  -3.172 -12.205   8.502
  397   1HB   LYS  59          2HB       LYS  59  -1.374 -11.604   6.180
  398   2HB   LYS  59          1HB       LYS  59  -1.419 -13.034   7.211
  399   1HG   LYS  59          2HG       LYS  59  -3.754 -13.475   6.204
  400   2HG   LYS  59          1HG       LYS  59  -3.344 -12.258   4.985
  401   1HD   LYS  59          2HD       LYS  59  -1.591 -13.575   4.098
  402   2HD   LYS  59          1HD       LYS  59  -1.488 -14.589   5.535
  403   1HE   LYS  59          2HE       LYS  59  -4.078 -14.578   4.014
  404   2HE   LYS  59          1HE       LYS  59  -2.713 -15.462   3.335
  405   1HZ   LYS  59          1HZ       LYS  59  -4.105 -16.822   4.807
  406   2HZ   LYS  59          2HZ       LYS  59  -3.726 -15.793   6.102
  407   3HZ   LYS  59          3HZ       LYS  59  -2.505 -16.708   5.354
  408    H    VAL  60           H        VAL  60  -2.282  -9.366   6.578
  409    HA   VAL  60           HA       VAL  60  -0.318  -8.463   8.508
  410    HB   VAL  60           HB       VAL  60  -1.046  -7.856   5.862
  411   1HG1  VAL  60          1HG1      VAL  60  -2.667  -6.198   6.779
  412   2HG1  VAL  60          2HG1      VAL  60  -1.489  -5.544   5.652
  413   3HG1  VAL  60          3HG1      VAL  60  -1.297  -5.270   7.375
  414   1HG2  VAL  60          1HG2      VAL  60   0.917  -5.928   6.561
  415   2HG2  VAL  60          2HG2      VAL  60   1.180  -7.506   5.822
  416   3HG2  VAL  60          3HG2      VAL  60   1.234  -7.337   7.566
  417    HA   PRO  61           HA       PRO  61  -2.743  -6.621  11.584
  418   1HB   PRO  61          2HB       PRO  61  -1.750  -3.976  11.779
  419   2HB   PRO  61          1HB       PRO  61  -1.148  -5.405  12.636
  420   1HG   PRO  61          2HG       PRO  61  -0.044  -4.030  10.275
  421   2HG   PRO  61          1HG       PRO  61   0.767  -5.056  11.466
  422   1HD   PRO  61          2HD       PRO  61   0.167  -5.837   8.891
  423   2HD   PRO  61          1HD       PRO  61   0.446  -6.969  10.202
  424    H    ALA  62           H        ALA  62  -4.814  -6.237  11.360
  425    HA   ALA  62           HA       ALA  62  -6.299  -5.088   9.424
  426   1HB   ALA  62          1HB       ALA  62  -8.033  -4.697  11.115
  427   2HB   ALA  62          2HB       ALA  62  -6.827  -4.833  12.395
  428   3HB   ALA  62          3HB       ALA  62  -7.226  -6.238  11.408
  429    H    ALA  63           H        ALA  63  -6.575  -3.185   8.654
  430    HA   ALA  63           HA       ALA  63  -5.049  -0.894   9.355
  431   1HB   ALA  63          1HB       ALA  63  -5.878  -0.943   7.148
  432   2HB   ALA  63          2HB       ALA  63  -6.832   0.324   7.913
  433   3HB   ALA  63          3HB       ALA  63  -7.524  -1.280   7.673
  434    H    ASN  64           H        ASN  64  -5.676   1.053  10.320
  435    HA   ASN  64           HA       ASN  64  -7.532   0.721  12.588
  436   1HB   ASN  64          2HB       ASN  64  -6.696   3.303  12.852
  437   2HB   ASN  64          1HB       ASN  64  -5.775   1.926  13.432
  438   1HD2  ASN  64          1HD2      ASN  64  -5.245   4.721  11.872
  439   2HD2  ASN  64          2HD2      ASN  64  -4.008   4.263  10.804
  440    H    GLU  65           H        GLU  65  -9.209   2.210  13.101
  441    HA   GLU  65           HA       GLU  65 -11.092   2.660  11.032
  442   1HB   GLU  65          2HB       GLU  65 -12.402   3.823  12.709
  443   2HB   GLU  65          1HB       GLU  65 -11.625   2.425  13.459
  444   1HG   GLU  65          2HG       GLU  65  -9.733   4.007  14.130
  445   2HG   GLU  65          1HG       GLU  65 -10.801   5.329  13.664
  446    H    ARG  66           H        ARG  66  -8.343   4.581  11.780
  447    HA   ARG  66           HA       ARG  66  -9.513   7.124  11.044
  448   1HB   ARG  66          2HB       ARG  66  -6.575   6.516  10.710
  449   2HB   ARG  66          1HB       ARG  66  -7.344   8.006  11.226
  450   1HG   ARG  66          2HG       ARG  66  -7.374   5.496  12.918
  451   2HG   ARG  66          1HG       ARG  66  -6.129   6.724  13.047
  452   1HD   ARG  66          2HD       ARG  66  -9.018   7.529  13.229
  453   2HD   ARG  66          1HD       ARG  66  -8.211   6.844  14.636
  454    HE   ARG  66           HE       ARG  66  -6.595   8.929  13.494
  455   1HH1  ARG  66          1HH2      ARG  66  -9.370   8.238  15.415
  456   2HH1  ARG  66          2HH2      ARG  66  -9.427   9.803  16.148
  457   1HH2  ARG  66          1HH1      ARG  66  -6.654  10.986  14.417
  458   2HH2  ARG  66          2HH1      ARG  66  -7.880  11.371  15.577
  459    H    GLU  67           H        GLU  67  -7.939   4.492   9.335
  460    HA   GLU  67           HA       GLU  67  -7.688   5.869   6.808
  461   1HB   GLU  67          2HB       GLU  67  -7.674   2.937   7.550
  462   2HB   GLU  67          1HB       GLU  67  -7.374   3.528   5.914
  463   1HG   GLU  67          2HG       GLU  67  -5.235   3.206   7.040
  464   2HG   GLU  67          1HG       GLU  67  -5.510   4.933   6.818
  465    H    ILE  68           H        ILE  68 -10.156   3.780   8.275
  466    HA   ILE  68           HA       ILE  68 -11.786   3.283   6.046
  467    HB   ILE  68           HB       ILE  68 -12.363   3.728   8.980
  468   1HG1  ILE  68          2HG1      ILE  68 -12.819   1.357   8.962
  469   2HG1  ILE  68          1HG1      ILE  68 -12.790   1.307   7.204
  470   1HG2  ILE  68          1HG2      ILE  68 -14.390   4.536   8.010
  471   2HG2  ILE  68          2HG2      ILE  68 -14.709   2.854   8.432
  472   3HG2  ILE  68          3HG2      ILE  68 -14.372   3.297   6.753
  473   1HD1  ILE  68          1HD1      ILE  68 -10.682   0.463   8.325
  474   2HD1  ILE  68          2HD1      ILE  68 -10.399   2.112   8.875
  475   3HD1  ILE  68          3HD1      ILE  68 -10.422   1.747   7.151
  476    H    GLY  69           H        GLY  69 -11.611   6.186   8.085
  477   1HA   GLY  69          2HA       GLY  69 -13.762   7.534   6.670
  478   2HA   GLY  69          1HA       GLY  69 -12.639   8.301   7.782
  479    H    MET  70           H        MET  70 -10.248   7.354   6.230
  480    HA   MET  70           HA       MET  70 -10.256   9.527   4.254
  481   1HB   MET  70          2HB       MET  70  -8.203   7.562   5.280
  482   2HB   MET  70          1HB       MET  70  -7.893   8.440   3.782
  483   1HG   MET  70          2HG       MET  70  -6.916   9.732   5.547
  484   2HG   MET  70          1HG       MET  70  -8.381  10.582   5.072
  485   1HE   MET  70          1HE       MET  70  -7.262   8.859   9.072
  486   2HE   MET  70          2HE       MET  70  -6.282   9.519   7.767
  487   3HE   MET  70          3HE       MET  70  -6.940   7.890   7.632
  488    H    LEU  71           H        LEU  71 -10.396   6.022   4.371
  489    HA   LEU  71           HA       LEU  71 -10.015   5.436   1.617
  490   1HB   LEU  71          2HB       LEU  71 -11.475   4.123   3.896
  491   2HB   LEU  71          1HB       LEU  71 -11.743   3.507   2.273
  492    HG   LEU  71           HG       LEU  71  -8.948   3.925   3.305
  493   1HD1  LEU  71          1HD1      LEU  71 -10.784   1.590   3.824
  494   2HD1  LEU  71          2HD1      LEU  71  -9.845   2.517   4.990
  495   3HD1  LEU  71          3HD1      LEU  71  -9.028   1.432   3.865
  496   1HD2  LEU  71          1HD2      LEU  71  -8.585   1.930   1.714
  497   2HD2  LEU  71          2HD2      LEU  71  -9.006   3.458   0.945
  498   3HD2  LEU  71          3HD2      LEU  71 -10.231   2.210   1.159
  499    H    GLU  72           H        GLU  72 -12.817   6.714   3.358
  500    HA   GLU  72           HA       GLU  72 -14.580   6.369   1.050
  501   1HB   GLU  72          2HB       GLU  72 -15.589   6.266   3.232
  502   2HB   GLU  72          1HB       GLU  72 -14.832   7.780   3.732
  503   1HG   GLU  72          2HG       GLU  72 -17.284   7.963   3.103
  504   2HG   GLU  72          1HG       GLU  72 -16.220   9.049   2.213
  505    H    CYS  73           H        CYS  73 -12.153   8.494   1.921
  506    HA   CYS  73           HA       CYS  73 -13.302  10.790   0.387
  507   1HB   CYS  73          2HB       CYS  73 -11.667  10.584   2.729
  508   2HB   CYS  73          1HB       CYS  73 -10.713  11.410   1.507
  509    HG   CYS  73           HG       CYS  73 -12.830  12.732   3.053
  510    H    VAL  74           H        VAL  74 -11.769   8.089  -0.547
  511    HA   VAL  74           HA       VAL  74  -9.472   9.146  -1.953
  512    HB   VAL  74           HB       VAL  74  -9.466   6.930  -3.016
  513   1HG1  VAL  74          1HG1      VAL  74  -8.383   6.938  -0.921
  514   2HG1  VAL  74          2HG1      VAL  74  -9.514   5.597  -0.784
  515   3HG1  VAL  74          3HG1      VAL  74  -9.887   7.146  -0.032
  516   1HG2  VAL  74          1HG2      VAL  74 -11.464   5.871  -3.337
  517   2HG2  VAL  74          2HG2      VAL  74 -12.302   7.037  -2.316
  518   3HG2  VAL  74          3HG2      VAL  74 -11.570   5.613  -1.611
  519    H    THR  75           H        THR  75  -9.322   9.050  -4.345
  520    HA   THR  75           HA       THR  75 -11.746  10.207  -5.585
  521    HB   THR  75           HB       THR  75  -8.972   9.896  -6.753
  522    HG1  THR  75           1HG      THR  75 -10.148  12.068  -5.362
  523   1HG2  THR  75          1HG2      THR  75  -9.780  11.869  -8.117
  524   2HG2  THR  75          2HG2      THR  75 -11.388  11.574  -7.459
  525   3HG2  THR  75          3HG2      THR  75 -10.608  10.348  -8.453
  526    H    ALA  76           H        ALA  76 -10.015   7.116  -5.660
  527    HA   ALA  76           HA       ALA  76 -11.298   6.424  -8.251
  528   1HB   ALA  76          1HB       ALA  76  -9.071   5.293  -6.584
  529   2HB   ALA  76          2HB       ALA  76  -9.097   5.670  -8.303
  530   3HB   ALA  76          3HB       ALA  76  -9.912   4.227  -7.711
  531    H    GLU  77           H        GLU  77 -12.032   3.923  -8.193
  532    HA   GLU  77           HA       GLU  77 -14.306   3.810  -6.458
  533   1HB   GLU  77          2HB       GLU  77 -14.933   2.524  -8.230
  534   2HB   GLU  77          1HB       GLU  77 -13.279   2.520  -8.815
  535   1HG   GLU  77          2HG       GLU  77 -12.768   0.534  -7.480
  536   2HG   GLU  77          1HG       GLU  77 -14.379   0.574  -6.760
  537    H    LEU  78           H        LEU  78 -14.430   2.893  -4.459
  538    HA   LEU  78           HA       LEU  78 -12.004   1.628  -3.346
  539   1HB   LEU  78          2HB       LEU  78 -13.846   3.214  -2.179
  540   2HB   LEU  78          1HB       LEU  78 -14.565   1.651  -1.791
  541    HG   LEU  78           HG       LEU  78 -12.228   0.961  -0.978
  542   1HD1  LEU  78          1HD1      LEU  78 -11.515   3.452  -2.070
  543   2HD1  LEU  78          2HD1      LEU  78 -10.502   2.382  -1.126
  544   3HD1  LEU  78          3HD1      LEU  78 -11.395   3.670  -0.328
  545   1HD2  LEU  78          1HD2      LEU  78 -14.258   1.748   0.448
  546   2HD2  LEU  78          2HD2      LEU  78 -13.342   3.239   0.639
  547   3HD2  LEU  78          3HD2      LEU  78 -12.666   1.706   1.194
  548    H    LYS  79           H        LYS  79 -11.991  -0.334  -2.295
  549    HA   LYS  79           HA       LYS  79 -13.733  -2.423  -3.543
  550   1HB   LYS  79          2HB       LYS  79 -10.802  -2.168  -2.928
  551   2HB   LYS  79          1HB       LYS  79 -11.511  -3.776  -3.047
  552   1HG   LYS  79          2HG       LYS  79 -11.880  -1.725  -5.228
  553   2HG   LYS  79          1HG       LYS  79 -10.437  -2.711  -5.166
  554   1HD   LYS  79          2HD       LYS  79 -13.233  -3.876  -5.220
  555   2HD   LYS  79          1HD       LYS  79 -12.248  -3.629  -6.645
  556   1HE   LYS  79          2HE       LYS  79 -10.444  -5.008  -5.269
  557   2HE   LYS  79          1HE       LYS  79 -11.867  -5.600  -4.419
  558   1HZ   LYS  79          1HZ       LYS  79 -10.915  -6.401  -6.897
  559   2HZ   LYS  79          2HZ       LYS  79 -12.383  -5.592  -7.179
  560   3HZ   LYS  79          3HZ       LYS  79 -12.327  -6.913  -6.116
  561    HA   PRO  80           HA       PRO  80 -14.751  -3.611   0.612
  562   1HB   PRO  80          2HB       PRO  80 -14.488  -6.402   0.475
  563   2HB   PRO  80          1HB       PRO  80 -15.926  -5.491  -0.022
  564   1HG   PRO  80          2HG       PRO  80 -13.723  -6.615  -1.681
  565   2HG   PRO  80          1HG       PRO  80 -15.453  -6.472  -2.047
  566   1HD   PRO  80          2HD       PRO  80 -13.603  -4.787  -3.113
  567   2HD   PRO  80          1HD       PRO  80 -15.260  -4.261  -2.754
  568    H    ASN  81           H        ASN  81 -11.879  -4.983  -0.873
  569    HA   ASN  81           HA       ASN  81 -10.530  -5.164   1.784
  570   1HB   ASN  81          2HB       ASN  81  -9.383  -6.981   0.976
  571   2HB   ASN  81          1HB       ASN  81 -10.669  -7.032  -0.217
  572   1HD2  ASN  81          1HD2      ASN  81 -10.156  -6.257  -2.412
  573   2HD2  ASN  81          2HD2      ASN  81  -8.555  -6.002  -2.904
  574    H    SER  82           H        SER  82 -10.951  -2.628  -0.023
  575    HA   SER  82           HA       SER  82  -8.344  -1.918  -1.009
  576   1HB   SER  82          2HB       SER  82 -10.913  -0.786  -0.948
  577   2HB   SER  82          1HB       SER  82  -9.850   0.379  -0.161
  578    HG   SER  82           HG       SER  82  -8.713   0.569  -1.937
  579    H    ARG  83           H        ARG  83  -6.740  -0.752  -0.003
  580    HA   ARG  83           HA       ARG  83  -7.070   0.131   2.800
  581   1HB   ARG  83          2HB       ARG  83  -5.859  -2.447   2.052
  582   2HB   ARG  83          1HB       ARG  83  -4.773  -1.474   3.036
  583   1HG   ARG  83          2HG       ARG  83  -6.262  -1.417   4.860
  584   2HG   ARG  83          1HG       ARG  83  -7.652  -1.845   3.875
  585   1HD   ARG  83          2HD       ARG  83  -7.341  -4.029   4.430
  586   2HD   ARG  83          1HD       ARG  83  -5.752  -4.003   3.673
  587    HE   ARG  83           HE       ARG  83  -5.369  -2.804   6.153
  588   1HH1  ARG  83          1HH2      ARG  83  -6.765  -5.734   5.001
  589   2HH1  ARG  83          2HH2      ARG  83  -6.137  -6.698   6.300
  590   1HH2  ARG  83          1HH1      ARG  83  -4.528  -4.046   7.844
  591   2HH2  ARG  83          2HH1      ARG  83  -4.867  -5.745   7.897
  592    H    LEU  84           H        LEU  84  -5.591   1.697   3.330
  593    HA   LEU  84           HA       LEU  84  -4.095   2.934   1.208
  594   1HB   LEU  84          2HB       LEU  84  -4.323   3.318   4.188
  595   2HB   LEU  84          1HB       LEU  84  -3.060   4.164   3.298
  596    HG   LEU  84           HG       LEU  84  -4.693   5.253   1.875
  597   1HD1  LEU  84          1HD1      LEU  84  -6.686   3.436   3.233
  598   2HD1  LEU  84          2HD1      LEU  84  -6.293   3.492   1.519
  599   3HD1  LEU  84          3HD1      LEU  84  -7.141   4.838   2.266
  600   1HD2  LEU  84          1HD2      LEU  84  -4.350   6.014   4.347
  601   2HD2  LEU  84          2HD2      LEU  84  -5.971   5.375   4.604
  602   3HD2  LEU  84          3HD2      LEU  84  -5.713   6.678   3.446
  603    H    CYS  85           H        CYS  85  -1.805   2.974   0.936
  604    HA   CYS  85           HA       CYS  85  -0.554   0.426   1.689
  605   1HB   CYS  85          2HB       CYS  85  -0.506   1.777  -0.595
  606   2HB   CYS  85          1HB       CYS  85   0.911   2.524   0.136
  607    HG   CYS  85           HG       CYS  85   0.641  -0.545  -0.414
  608    H    CYS  86           H        CYS  86  -0.548   3.582   3.054
  609    HA   CYS  86           HA       CYS  86   2.224   3.303   4.058
  610   1HB   CYS  86          2HB       CYS  86   1.977   5.508   4.972
  611   2HB   CYS  86          1HB       CYS  86   1.320   5.523   3.334
  612    H    GLN  87           H        GLN  87  -1.024   2.721   5.236
  613    HA   GLN  87           HA       GLN  87  -0.059   2.560   8.039
  614   1HB   GLN  87          2HB       GLN  87  -2.791   2.201   6.779
  615   2HB   GLN  87          1HB       GLN  87  -2.475   1.991   8.497
  616   1HG   GLN  87          2HG       GLN  87  -1.671   4.522   7.056
  617   2HG   GLN  87          1HG       GLN  87  -3.289   4.321   7.718
  618   1HE2  GLN  87          1HE2      GLN  87   0.009   5.053   8.523
  619   2HE2  GLN  87          2HE2      GLN  87  -0.205   5.146  10.201
  620    H    ILE  88           H        ILE  88   0.606   0.692   5.711
  621    HA   ILE  88           HA       ILE  88  -0.160  -1.910   7.025
  622    HB   ILE  88           HB       ILE  88   0.617  -1.372   4.142
  623   1HG1  ILE  88          2HG1      ILE  88  -1.651  -0.622   4.656
  624   2HG1  ILE  88          1HG1      ILE  88  -1.726  -2.089   3.687
  625   1HG2  ILE  88          1HG2      ILE  88   0.136  -3.908   5.688
  626   2HG2  ILE  88          2HG2      ILE  88   1.444  -3.524   4.571
  627   3HG2  ILE  88          3HG2      ILE  88  -0.177  -3.838   3.949
  628   1HD1  ILE  88          1HD1      ILE  88  -3.273  -2.613   5.330
  629   2HD1  ILE  88          2HD1      ILE  88  -2.439  -1.671   6.561
  630   3HD1  ILE  88          3HD1      ILE  88  -1.817  -3.252   6.089
  631    H    ILE  89           H        ILE  89   1.388  -3.024   7.999
  632    HA   ILE  89           HA       ILE  89   4.236  -2.209   7.675
  633    HB   ILE  89           HB       ILE  89   2.950  -4.006   9.746
  634   1HG1  ILE  89          2HG1      ILE  89   1.957  -1.798   9.924
  635   2HG1  ILE  89          1HG1      ILE  89   3.111  -2.000  11.240
  636   1HG2  ILE  89          1HG2      ILE  89   5.606  -2.548   9.757
  637   2HG2  ILE  89          2HG2      ILE  89   5.414  -4.280   9.470
  638   3HG2  ILE  89          3HG2      ILE  89   4.975  -3.589  11.035
  639   1HD1  ILE  89          1HD1      ILE  89   4.809  -0.865   9.607
  640   2HD1  ILE  89          2HD1      ILE  89   3.618   0.143  10.422
  641   3HD1  ILE  89          3HD1      ILE  89   3.368  -0.329   8.748
  642    H    MET  90           H        MET  90   5.533  -3.487   6.437
  643    HA   MET  90           HA       MET  90   4.616  -6.107   5.599
  644   1HB   MET  90          2HB       MET  90   6.087  -4.424   4.262
  645   2HB   MET  90          1HB       MET  90   7.429  -5.166   5.140
  646   1HG   MET  90          2HG       MET  90   7.157  -6.404   3.084
  647   2HG   MET  90          1HG       MET  90   6.545  -7.419   4.373
  648   1HE   MET  90          1HE       MET  90   4.925  -8.902   3.558
  649   2HE   MET  90          2HE       MET  90   3.272  -8.444   3.159
  650   3HE   MET  90          3HE       MET  90   3.925  -8.037   4.730
  651    H    THR  91           H        THR  91   5.781  -8.085   5.880
  652    HA   THR  91           HA       THR  91   7.725  -8.247   8.089
  653    HB   THR  91           HB       THR  91   6.372 -10.137   9.124
  654    HG1  THR  91           1HG      THR  91   4.056  -9.061   8.114
  655   1HG2  THR  91          1HG2      THR  91   6.495  -7.837  10.069
  656   2HG2  THR  91          2HG2      THR  91   4.977  -8.660  10.432
  657   3HG2  THR  91          3HG2      THR  91   5.037  -7.428   9.172
  658    HA   PRO  92           HA       PRO  92   9.442 -11.232   5.327
  659   1HB   PRO  92          2HB       PRO  92  10.371 -13.141   7.153
  660   2HB   PRO  92          1HB       PRO  92  11.247 -11.677   6.683
  661   1HG   PRO  92          2HG       PRO  92   9.563 -12.183   9.096
  662   2HG   PRO  92          1HG       PRO  92  11.079 -11.274   8.948
  663   1HD   PRO  92          2HD       PRO  92   8.720 -10.005   9.138
  664   2HD   PRO  92          1HD       PRO  92  10.012  -9.379   8.088
  665    H    GLU  93           H        GLU  93   7.491 -12.623   7.982
  666    HA   GLU  93           HA       GLU  93   6.910 -15.092   6.730
  667   1HB   GLU  93          2HB       GLU  93   4.731 -14.927   8.130
  668   2HB   GLU  93          1HB       GLU  93   6.269 -14.933   8.989
  669   1HG   GLU  93          2HG       GLU  93   6.206 -12.581   9.343
  670   2HG   GLU  93          1HG       GLU  93   4.910 -12.366   8.162
  671    H    LEU  94           H        LEU  94   5.337 -11.922   6.351
  672    HA   LEU  94           HA       LEU  94   3.374 -13.108   4.499
  673   1HB   LEU  94          2HB       LEU  94   3.717 -10.448   5.793
  674   2HB   LEU  94          1HB       LEU  94   2.863 -10.432   4.279
  675    HG   LEU  94           HG       LEU  94   2.135 -12.314   6.544
  676   1HD1  LEU  94          1HD1      LEU  94   0.570 -10.795   7.377
  677   2HD1  LEU  94          2HD1      LEU  94   0.562  -9.821   5.911
  678   3HD1  LEU  94          3HD1      LEU  94   1.932  -9.737   7.022
  679   1HD2  LEU  94          1HD2      LEU  94   0.179 -11.352   4.481
  680   2HD2  LEU  94          2HD2      LEU  94   0.301 -12.918   5.284
  681   3HD2  LEU  94          3HD2      LEU  94   1.379 -12.522   3.953
  682    H    ASP  95           H        ASP  95   6.359 -12.878   3.924
  683    HA   ASP  95           HA       ASP  95   6.830 -11.026   1.848
  684   1HB   ASP  95          2HB       ASP  95   8.554 -12.638   1.064
  685   2HB   ASP  95          1HB       ASP  95   8.602 -12.429   2.810
  686    H    GLY  96           H        GLY  96   6.323 -10.995  -0.332
  687   1HA   GLY  96          2HA       GLY  96   5.740 -12.151  -2.425
  688   2HA   GLY  96          1HA       GLY  96   4.778 -13.288  -1.487
  689    H    ILE  97           H        ILE  97   4.268 -10.389  -0.103
  690    HA   ILE  97           HA       ILE  97   1.556 -10.184  -0.753
  691    HB   ILE  97           HB       ILE  97   2.231  -9.008   1.146
  692   1HG1  ILE  97          2HG1      ILE  97   1.856  -6.582   0.800
  693   2HG1  ILE  97          1HG1      ILE  97   1.995  -6.782  -0.930
  694   1HG2  ILE  97          1HG2      ILE  97   4.567  -8.400  -0.520
  695   2HG2  ILE  97          2HG2      ILE  97   4.485  -8.637   1.198
  696   3HG2  ILE  97          3HG2      ILE  97   4.115  -7.061   0.506
  697   1HD1  ILE  97          1HD1      ILE  97  -0.252  -7.066  -0.910
  698   2HD1  ILE  97          2HD1      ILE  97  -0.275  -7.261   0.830
  699   3HD1  ILE  97          3HD1      ILE  97   0.036  -8.647  -0.193
  700    H    VAL  98           H        VAL  98   0.410  -9.443  -2.461
  701    HA   VAL  98           HA       VAL  98   1.878  -7.939  -4.609
  702    HB   VAL  98           HB       VAL  98  -0.823  -9.237  -4.904
  703   1HG1  VAL  98          1HG1      VAL  98  -0.123  -7.718  -6.681
  704   2HG1  VAL  98          2HG1      VAL  98  -0.092  -9.380  -7.269
  705   3HG1  VAL  98          3HG1      VAL  98   1.413  -8.571  -6.836
  706   1HG2  VAL  98          1HG2      VAL  98   1.913 -10.509  -5.149
  707   2HG2  VAL  98          2HG2      VAL  98   0.446 -11.216  -5.832
  708   3HG2  VAL  98          3HG2      VAL  98   0.601 -11.008  -4.081
  709    H    VAL  99           H        VAL  99   1.443  -5.775  -4.725
  710    HA   VAL  99           HA       VAL  99  -1.099  -4.741  -3.512
  711    HB   VAL  99           HB       VAL  99   1.293  -3.066  -4.300
  712   1HG1  VAL  99          1HG1      VAL  99  -0.857  -2.852  -2.159
  713   2HG1  VAL  99          2HG1      VAL  99  -0.773  -1.915  -3.651
  714   3HG1  VAL  99          3HG1      VAL  99   0.444  -1.684  -2.394
  715   1HG2  VAL  99          1HG2      VAL  99   2.382  -4.654  -2.936
  716   2HG2  VAL  99          2HG2      VAL  99   0.998  -4.813  -1.856
  717   3HG2  VAL  99          3HG2      VAL  99   1.979  -3.348  -1.825
  718    H    ASP 100           H        ASP 100  -2.542  -3.915  -4.881
  719    HA   ASP 100           HA       ASP 100  -1.772  -3.417  -7.718
  720   1HB   ASP 100          2HB       ASP 100  -4.156  -4.466  -6.348
  721   2HB   ASP 100          1HB       ASP 100  -4.520  -3.353  -7.669
  722    H    VAL 101           H        VAL 101  -1.440  -1.413  -8.283
  723    HA   VAL 101           HA       VAL 101  -2.679   0.811  -6.736
  724    HB   VAL 101           HB       VAL 101  -0.354   0.949  -8.660
  725   1HG1  VAL 101          1HG1      VAL 101  -1.285   2.790  -6.433
  726   2HG1  VAL 101          2HG1      VAL 101  -1.527   3.072  -8.158
  727   3HG1  VAL 101          3HG1      VAL 101   0.104   3.058  -7.492
  728   1HG2  VAL 101          1HG2      VAL 101   1.052   0.971  -6.584
  729   2HG2  VAL 101          2HG2      VAL 101   0.246  -0.574  -6.849
  730   3HG2  VAL 101          3HG2      VAL 101  -0.384   0.550  -5.652
  731    HA   PRO 102           HA       PRO 102  -5.016   1.370 -10.585
  732   1HB   PRO 102          2HB       PRO 102  -6.636   3.400  -9.816
  733   2HB   PRO 102          1HB       PRO 102  -6.831   1.761  -9.185
  734   1HG   PRO 102          2HG       PRO 102  -5.549   4.104  -7.897
  735   2HG   PRO 102          1HG       PRO 102  -6.617   2.861  -7.220
  736   1HD   PRO 102          2HD       PRO 102  -3.858   2.834  -6.945
  737   2HD   PRO 102          1HD       PRO 102  -4.891   1.390  -6.843
  738    H    ASP 103           H        ASP 103  -5.881   3.530 -11.698
  739    HA   ASP 103           HA       ASP 103  -3.470   5.121 -12.397
  740   1HB   ASP 103          2HB       ASP 103  -6.203   5.378 -13.669
  741   2HB   ASP 103          1HB       ASP 103  -4.626   5.749 -14.376
  742    H    ARG 104           H        ARG 104  -6.256   5.256 -10.474
  743    HA   ARG 104           HA       ARG 104  -6.000   8.215 -10.105
  744   1HB   ARG 104          2HB       ARG 104  -8.379   6.412 -10.394
  745   2HB   ARG 104          1HB       ARG 104  -8.522   7.732  -9.241
  746   1HG   ARG 104          2HG       ARG 104  -7.537   8.217 -12.060
  747   2HG   ARG 104          1HG       ARG 104  -9.261   8.141 -11.705
  748   1HD   ARG 104          2HD       ARG 104  -8.887  10.420 -11.460
  749   2HD   ARG 104          1HD       ARG 104  -8.598   9.900  -9.797
  750    HE   ARG 104           HE       ARG 104  -6.117   9.697 -11.067
  751   1HH1  ARG 104          1HH2      ARG 104  -8.505  12.112 -10.438
  752   2HH1  ARG 104          2HH2      ARG 104  -7.386  13.428 -10.537
  753   1HH2  ARG 104          1HH1      ARG 104  -4.657  11.390 -11.205
  754   2HH2  ARG 104          2HH1      ARG 104  -5.199  13.019 -10.980
  755    H    GLN 105           H        GLN 105  -4.929   8.441  -8.153
  756    HA   GLN 105           HA       GLN 105  -5.815   6.686  -5.899
  757   1HB   GLN 105          2HB       GLN 105  -3.487   6.821  -5.063
  758   2HB   GLN 105          1HB       GLN 105  -3.534   6.084  -6.668
  759   1HG   GLN 105          2HG       GLN 105  -3.121   8.441  -7.595
  760   2HG   GLN 105          1HG       GLN 105  -2.716   8.903  -5.944
  761   1HE2  GLN 105          1HE2      GLN 105  -1.808   5.766  -5.988
  762   2HE2  GLN 105          2HE2      GLN 105  -0.203   5.915  -6.520
  763    H    TRP 106           H        TRP 106  -4.816   9.764  -7.133
  764    HA   TRP 106           HA       TRP 106  -4.614  11.321  -4.770
  765   1HB   TRP 106          2HB       TRP 106  -5.350  11.921  -7.625
  766   2HB   TRP 106          1HB       TRP 106  -5.600  13.181  -6.418
  767    HD1  TRP 106           HD       TRP 106  -2.838  11.106  -8.062
  768    HE1  TRP 106           1HE      TRP 106  -0.569  12.233  -7.583
  769    HE3  TRP 106           3HE      TRP 106  -4.343  14.736  -4.823
  770    HZ2  TRP 106           2HZ      TRP 106   0.464  14.413  -6.035
  771    HZ3  TRP 106           3HZ      TRP 106  -2.705  16.329  -3.860
  772    HH2  TRP 106           HH       TRP 106  -0.304  16.170  -4.460
  Start of MODEL    6
    1   1H    SER   1          1HT       SER   1  10.829  -7.772   3.360
    2   2H    SER   1          2HT       SER   1  11.919  -9.059   3.150
    3   3H    SER   1          3HT       SER   1  11.000  -8.940   4.574
    4    HA   SER   1           HA       SER   1  10.158 -10.643   3.017
    5   1HB   SER   1          2HB       SER   1   7.987  -8.609   3.029
    6   2HB   SER   1          1HB       SER   1   8.033 -10.208   3.759
    7    HG   SER   1           HG       SER   1   8.861  -7.743   4.771
    8    H    LYS   2           H        LYS   2   8.837 -10.913   0.967
    9    HA   LYS   2           HA       LYS   2   9.965  -9.193  -1.130
   10   1HB   LYS   2          2HB       LYS   2   8.469 -11.795  -0.992
   11   2HB   LYS   2          1HB       LYS   2   8.374 -10.885  -2.481
   12   1HG   LYS   2          2HG       LYS   2  11.069 -11.360  -1.212
   13   2HG   LYS   2          1HG       LYS   2  10.314 -12.661  -2.127
   14   1HD   LYS   2          2HD       LYS   2  10.470  -9.917  -3.364
   15   2HD   LYS   2          1HD       LYS   2  11.915 -10.926  -3.334
   16   1HE   LYS   2          2HE       LYS   2   9.258 -11.932  -4.379
   17   2HE   LYS   2          1HE       LYS   2  10.456 -11.156  -5.415
   18   1HZ   LYS   2          1HZ       LYS   2  12.032 -12.878  -4.287
   19   2HZ   LYS   2          2HZ       LYS   2  11.061 -13.335  -5.601
   20   3HZ   LYS   2          3HZ       LYS   2  10.592 -13.733  -4.017
   21    H    VAL   3           H        VAL   3   8.835  -7.421  -1.842
   22    HA   VAL   3           HA       VAL   3   5.871  -7.381  -1.378
   23    HB   VAL   3           HB       VAL   3   8.095  -5.391  -1.008
   24   1HG1  VAL   3          1HG1      VAL   3   6.300  -3.613  -0.782
   25   2HG1  VAL   3          2HG1      VAL   3   5.223  -4.721  -1.638
   26   3HG1  VAL   3          3HG1      VAL   3   6.691  -4.125  -2.423
   27   1HG2  VAL   3          1HG2      VAL   3   7.325  -6.621   0.924
   28   2HG2  VAL   3          2HG2      VAL   3   5.662  -6.187   0.580
   29   3HG2  VAL   3          3HG2      VAL   3   6.786  -4.956   1.081
   30    H    VAL   4           H        VAL   4   4.753  -7.220  -3.248
   31    HA   VAL   4           HA       VAL   4   6.201  -6.238  -5.687
   32    HB   VAL   4           HB       VAL   4   3.938  -8.181  -5.420
   33   1HG1  VAL   4          1HG1      VAL   4   5.215  -6.903  -7.832
   34   2HG1  VAL   4          2HG1      VAL   4   3.504  -6.929  -7.403
   35   3HG1  VAL   4          3HG1      VAL   4   4.304  -8.408  -7.935
   36   1HG2  VAL   4          1HG2      VAL   4   5.639  -9.682  -6.562
   37   2HG2  VAL   4          2HG2      VAL   4   6.020  -9.240  -4.899
   38   3HG2  VAL   4          3HG2      VAL   4   6.830  -8.423  -6.235
   39    H    TYR   5           H        TYR   5   5.445  -4.575  -6.642
   40    HA   TYR   5           HA       TYR   5   2.836  -3.355  -5.860
   41   1HB   TYR   5          2HB       TYR   5   5.406  -2.100  -6.848
   42   2HB   TYR   5          1HB       TYR   5   3.873  -1.228  -6.828
   43    HD1  TYR   5           1HD      TYR   5   6.679  -2.385  -4.859
   44    HD2  TYR   5           2HD      TYR   5   2.628  -0.979  -4.615
   45    HE1  TYR   5           1HE      TYR   5   6.998  -1.870  -2.454
   46    HE2  TYR   5           2HE      TYR   5   2.959  -0.452  -2.216
   47    HH   TYR   5           HH       TYR   5   6.123  -0.650  -0.702
   48    H    VAL   6           H        VAL   6   1.304  -3.606  -7.429
   49    HA   VAL   6           HA       VAL   6   2.244  -4.044 -10.250
   50    HB   VAL   6           HB       VAL   6  -0.573  -4.422  -9.219
   51   1HG1  VAL   6          1HG1      VAL   6  -0.871  -5.684 -11.241
   52   2HG1  VAL   6          2HG1      VAL   6   0.857  -5.615 -11.598
   53   3HG1  VAL   6          3HG1      VAL   6  -0.123  -4.149 -11.691
   54   1HG2  VAL   6          1HG2      VAL   6   0.834  -5.927  -7.944
   55   2HG2  VAL   6          2HG2      VAL   6   1.719  -6.389  -9.394
   56   3HG2  VAL   6          3HG2      VAL   6   0.032  -6.866  -9.204
   57    H    SER   7           H        SER   7   2.311  -2.225 -11.363
   58    HA   SER   7           HA       SER   7   0.956   0.169 -10.470
   59   1HB   SER   7          2HB       SER   7   2.154   1.287 -12.158
   60   2HB   SER   7          1HB       SER   7   3.219  -0.037 -11.692
   61    HG   SER   7           HG       SER   7   2.599  -1.163 -13.491
   62    H    HIS   8           H        HIS   8  -0.032   1.493 -12.377
   63    HA   HIS   8           HA       HIS   8  -2.493   0.084 -13.128
   64   1HB   HIS   8          2HB       HIS   8  -2.499   2.620 -14.411
   65   2HB   HIS   8          1HB       HIS   8  -3.289   2.211 -12.899
   66    HD1  HIS   8           1HD      HIS   8  -0.967   1.993 -10.964
   67    HD2  HIS   8           2HD      HIS   8  -1.188   4.981 -13.868
   68    HE1  HIS   8           1HE      HIS   8   0.486   3.901 -10.143
   69    HE2  HIS   8           2HE      HIS   8   0.362   5.722 -11.902
   70    H    ASP   9           H        ASP   9   0.254   1.585 -14.807
   71    HA   ASP   9           HA       ASP   9  -0.594   0.919 -17.444
   72   1HB   ASP   9          2HB       ASP   9   2.032   0.980 -17.817
   73   2HB   ASP   9          1HB       ASP   9   1.162   2.459 -17.418
   74    H    GLY  10           H        GLY  10   0.247  -1.132 -14.892
   75   1HA   GLY  10          2HA       GLY  10   0.071  -3.528 -15.097
   76   2HA   GLY  10          1HA       GLY  10   0.590  -3.404 -16.784
   77    H    THR  11           H        THR  11   2.712  -1.398 -15.506
   78    HA   THR  11           HA       THR  11   4.803  -3.370 -15.475
   79    HB   THR  11           HB       THR  11   4.741  -0.722 -16.001
   80    HG1  THR  11           1HG      THR  11   6.403  -2.538 -16.219
   81   1HG2  THR  11          1HG2      THR  11   5.983   0.536 -14.363
   82   2HG2  THR  11          2HG2      THR  11   6.153  -0.884 -13.331
   83   3HG2  THR  11          3HG2      THR  11   4.570  -0.148 -13.566
   84    H    ARG  12           H        ARG  12   5.618  -4.459 -13.851
   85    HA   ARG  12           HA       ARG  12   4.586  -3.940 -11.087
   86   1HB   ARG  12          2HB       ARG  12   6.054  -6.441 -11.897
   87   2HB   ARG  12          1HB       ARG  12   4.885  -6.208 -10.603
   88   1HG   ARG  12          2HG       ARG  12   3.222  -5.599 -12.554
   89   2HG   ARG  12          1HG       ARG  12   4.392  -6.449 -13.564
   90   1HD   ARG  12          2HD       ARG  12   4.021  -8.202 -11.385
   91   2HD   ARG  12          1HD       ARG  12   2.407  -7.571 -11.727
   92    HE   ARG  12           HE       ARG  12   3.783  -9.446 -13.357
   93   1HH1  ARG  12          1HH2      ARG  12   1.979  -6.522 -13.487
   94   2HH1  ARG  12          2HH2      ARG  12   1.390  -6.797 -15.090
   95   1HH2  ARG  12          1HH1      ARG  12   3.006  -9.856 -15.413
   96   2HH2  ARG  12          2HH1      ARG  12   1.961  -8.713 -16.190
   97    H    ARG  13           H        ARG  13   5.925  -3.488  -9.404
   98    HA   ARG  13           HA       ARG  13   8.884  -3.517  -9.849
   99   1HB   ARG  13          2HB       ARG  13   7.639  -1.238  -9.857
  100   2HB   ARG  13          1HB       ARG  13   7.406  -1.516  -8.146
  101   1HG   ARG  13          2HG       ARG  13   9.408  -0.347  -8.061
  102   2HG   ARG  13          1HG       ARG  13  10.006  -1.991  -8.160
  103   1HD   ARG  13          2HD       ARG  13  11.113  -1.511 -10.094
  104   2HD   ARG  13          1HD       ARG  13   9.617  -0.996 -10.863
  105    HE   ARG  13           HE       ARG  13  11.660   0.764 -10.010
  106   1HH1  ARG  13          1HH2      ARG  13   8.283   0.277  -9.718
  107   2HH1  ARG  13          2HH2      ARG  13   7.897   1.950  -9.555
  108   1HH2  ARG  13          1HH1      ARG  13  11.203   2.989  -9.796
  109   2HH2  ARG  13          2HH1      ARG  13   9.559   3.501  -9.590
  110    H    GLU  14           H        GLU  14   9.735  -4.908  -8.364
  111    HA   GLU  14           HA       GLU  14   8.187  -5.454  -5.882
  112   1HB   GLU  14          2HB       GLU  14  10.458  -7.167  -6.853
  113   2HB   GLU  14          1HB       GLU  14   9.055  -7.619  -5.887
  114   1HG   GLU  14          2HG       GLU  14   7.643  -7.024  -7.954
  115   2HG   GLU  14          1HG       GLU  14   9.165  -7.029  -8.852
  116    H    LEU  15           H        LEU  15   9.066  -4.916  -3.890
  117    HA   LEU  15           HA       LEU  15  11.989  -4.189  -3.798
  118   1HB   LEU  15          2HB       LEU  15  10.240  -2.983  -1.711
  119   2HB   LEU  15          1HB       LEU  15  11.554  -2.262  -2.609
  120    HG   LEU  15           HG       LEU  15   8.789  -2.759  -3.637
  121   1HD1  LEU  15          1HD1      LEU  15  10.147  -0.158  -2.853
  122   2HD1  LEU  15          2HD1      LEU  15   9.038  -1.031  -1.806
  123   3HD1  LEU  15          3HD1      LEU  15   8.468  -0.361  -3.330
  124   1HD2  LEU  15          1HD2      LEU  15  10.734  -0.843  -4.922
  125   2HD2  LEU  15          2HD2      LEU  15   9.466  -1.812  -5.675
  126   3HD2  LEU  15          3HD2      LEU  15  10.987  -2.560  -5.218
  127    H    ASP  16           H        ASP  16  12.811  -4.240  -1.580
  128    HA   ASP  16           HA       ASP  16  11.734  -6.568  -0.017
  129   1HB   ASP  16          2HB       ASP  16  14.170  -6.622  -0.903
  130   2HB   ASP  16          1HB       ASP  16  14.495  -5.311   0.228
  131    H    VAL  17           H        VAL  17  10.485  -5.727   1.664
  132    HA   VAL  17           HA       VAL  17  11.314  -3.088   2.854
  133    HB   VAL  17           HB       VAL  17   8.570  -4.373   3.187
  134   1HG1  VAL  17          1HG1      VAL  17   8.436  -1.536   2.843
  135   2HG1  VAL  17          2HG1      VAL  17   9.795  -1.818   3.920
  136   3HG1  VAL  17          3HG1      VAL  17   8.198  -2.441   4.326
  137   1HG2  VAL  17          1HG2      VAL  17   9.621  -2.734   0.856
  138   2HG2  VAL  17          2HG2      VAL  17   7.907  -2.986   1.164
  139   3HG2  VAL  17          3HG2      VAL  17   8.956  -4.357   0.799
  140    H    ALA  18           H        ALA  18  12.257  -3.308   4.803
  141    HA   ALA  18           HA       ALA  18  12.509  -5.857   6.084
  142   1HB   ALA  18          1HB       ALA  18  13.875  -4.778   7.645
  143   2HB   ALA  18          2HB       ALA  18  12.979  -3.264   7.537
  144   3HB   ALA  18          3HB       ALA  18  14.043  -3.755   6.222
  145    H    ASP  19           H        ASP  19  11.871  -6.356   8.267
  146    HA   ASP  19           HA       ASP  19   9.073  -6.214   8.707
  147   1HB   ASP  19          2HB       ASP  19   9.662  -7.028  11.013
  148   2HB   ASP  19          1HB       ASP  19  10.367  -7.987   9.721
  149    H    GLY  20           H        GLY  20   7.852  -4.910   9.888
  150   1HA   GLY  20          2HA       GLY  20   7.290  -3.113  11.377
  151   2HA   GLY  20          1HA       GLY  20   9.001  -2.892  11.688
  152    H    VAL  21           H        VAL  21   8.781  -2.885   8.322
  153    HA   VAL  21           HA       VAL  21   8.856   0.074   8.351
  154    HB   VAL  21           HB       VAL  21   9.383  -1.902   6.131
  155   1HG1  VAL  21          1HG1      VAL  21  10.599   0.138   5.165
  156   2HG1  VAL  21          2HG1      VAL  21   9.701   1.077   6.362
  157   3HG1  VAL  21          3HG1      VAL  21   8.836   0.157   5.130
  158   1HG2  VAL  21          1HG2      VAL  21  11.418  -0.348   7.728
  159   2HG2  VAL  21          2HG2      VAL  21  11.717  -1.607   6.517
  160   3HG2  VAL  21          3HG2      VAL  21  10.986  -2.025   8.075
  161    H    SER  22           H        SER  22   7.478   1.304   6.983
  162    HA   SER  22           HA       SER  22   4.878   0.029   6.445
  163   1HB   SER  22          2HB       SER  22   4.003   2.179   6.384
  164   2HB   SER  22          1HB       SER  22   5.430   2.478   7.372
  165    HG   SER  22           HG       SER  22   4.963   3.815   5.359
  166    H    LEU  23           H        LEU  23   4.126  -0.490   4.404
  167    HA   LEU  23           HA       LEU  23   5.826  -0.961   2.233
  168   1HB   LEU  23          2HB       LEU  23   2.887  -0.331   2.415
  169   2HB   LEU  23          1HB       LEU  23   3.632  -0.624   0.845
  170    HG   LEU  23           HG       LEU  23   3.926  -2.568   3.154
  171   1HD1  LEU  23          1HD1      LEU  23   2.082  -3.847   2.172
  172   2HD1  LEU  23          2HD1      LEU  23   1.866  -2.606   0.929
  173   3HD1  LEU  23          3HD1      LEU  23   1.526  -2.238   2.623
  174   1HD2  LEU  23          1HD2      LEU  23   4.357  -2.716   0.159
  175   2HD2  LEU  23          2HD2      LEU  23   4.209  -4.160   1.152
  176   3HD2  LEU  23          3HD2      LEU  23   5.528  -3.034   1.434
  177    H    MET  24           H        MET  24   4.276   2.020   3.197
  178    HA   MET  24           HA       MET  24   4.840   3.450   0.767
  179   1HB   MET  24          2HB       MET  24   3.097   4.179   2.337
  180   2HB   MET  24          1HB       MET  24   4.328   4.437   3.572
  181   1HG   MET  24          2HG       MET  24   3.687   6.565   2.475
  182   2HG   MET  24          1HG       MET  24   5.380   6.182   2.181
  183   1HE   MET  24          1HE       MET  24   4.860   8.125   0.726
  184   2HE   MET  24          2HE       MET  24   3.203   8.165   0.125
  185   3HE   MET  24          3HE       MET  24   4.537   7.948  -0.999
  186    H    GLN  25           H        GLN  25   6.555   2.959   3.835
  187    HA   GLN  25           HA       GLN  25   8.594   4.908   3.462
  188   1HB   GLN  25          2HB       GLN  25   8.285   2.424   5.078
  189   2HB   GLN  25          1HB       GLN  25   9.948   2.910   4.780
  190   1HG   GLN  25          2HG       GLN  25   9.054   3.886   6.880
  191   2HG   GLN  25          1HG       GLN  25   9.491   5.131   5.706
  192   1HE2  GLN  25          1HE2      GLN  25   6.976   4.072   7.734
  193   2HE2  GLN  25          2HE2      GLN  25   5.708   4.953   7.032
  194    H    ALA  26           H        ALA  26   8.694   1.387   2.621
  195    HA   ALA  26           HA       ALA  26  11.170   1.661   1.154
  196   1HB   ALA  26          1HB       ALA  26  10.596  -0.547   0.200
  197   2HB   ALA  26          2HB       ALA  26   8.970  -0.406   0.861
  198   3HB   ALA  26          3HB       ALA  26  10.360  -0.520   1.941
  199    H    ALA  27           H        ALA  27   7.838   2.316   0.228
  200    HA   ALA  27           HA       ALA  27   8.176   2.167  -2.608
  201   1HB   ALA  27          1HB       ALA  27   6.177   3.670  -2.617
  202   2HB   ALA  27          2HB       ALA  27   6.347   3.855  -0.886
  203   3HB   ALA  27          3HB       ALA  27   5.967   2.274  -1.572
  204    H    VAL  28           H        VAL  28   7.914   5.108  -0.605
  205    HA   VAL  28           HA       VAL  28   8.774   6.966  -2.527
  206    HB   VAL  28           HB       VAL  28   9.200   6.982   0.471
  207   1HG1  VAL  28          1HG1      VAL  28   9.329   9.519   0.045
  208   2HG1  VAL  28          2HG1      VAL  28   9.639   9.105  -1.630
  209   3HG1  VAL  28          3HG1      VAL  28  10.754   8.572  -0.375
  210   1HG2  VAL  28          1HG2      VAL  28   7.210   8.410   0.462
  211   2HG2  VAL  28          2HG2      VAL  28   6.846   6.891  -0.345
  212   3HG2  VAL  28          3HG2      VAL  28   7.146   8.351  -1.289
  213    H    SER  29           H        SER  29  10.649   4.594  -0.859
  214    HA   SER  29           HA       SER  29  13.215   5.943  -1.356
  215   1HB   SER  29          2HB       SER  29  13.780   4.605   0.389
  216   2HB   SER  29          1HB       SER  29  12.199   3.848   0.296
  217    HG   SER  29           HG       SER  29  14.264   2.553  -0.048
  218    H    ASN  30           H        ASN  30  11.094   3.784  -2.952
  219    HA   ASN  30           HA       ASN  30  13.227   2.954  -4.877
  220   1HB   ASN  30          2HB       ASN  30  10.558   1.758  -4.124
  221   2HB   ASN  30          1HB       ASN  30  11.435   1.281  -5.570
  222   1HD2  ASN  30          1HD2      ASN  30  12.017   1.682  -2.034
  223   2HD2  ASN  30          2HD2      ASN  30  13.075   0.360  -1.912
  224    H    GLY  31           H        GLY  31  11.299   5.469  -4.501
  225   1HA   GLY  31          2HA       GLY  31  10.370   6.972  -6.050
  226   2HA   GLY  31          1HA       GLY  31  11.152   6.014  -7.308
  227    H    ILE  32           H        ILE  32   8.506   5.099  -5.036
  228    HA   ILE  32           HA       ILE  32   6.928   4.327  -7.461
  229    HB   ILE  32           HB       ILE  32   6.867   3.178  -4.692
  230   1HG1  ILE  32          2HG1      ILE  32   8.187   2.322  -7.264
  231   2HG1  ILE  32          1HG1      ILE  32   8.965   2.674  -5.724
  232   1HG2  ILE  32          1HG2      ILE  32   5.437   1.474  -5.542
  233   2HG2  ILE  32          2HG2      ILE  32   5.673   2.014  -7.207
  234   3HG2  ILE  32          3HG2      ILE  32   4.725   2.989  -6.087
  235   1HD1  ILE  32          1HD1      ILE  32   7.572   0.222  -6.613
  236   2HD1  ILE  32          2HD1      ILE  32   7.230   0.707  -4.960
  237   3HD1  ILE  32          3HD1      ILE  32   8.889   0.419  -5.471
  238    H    TYR  33           H        TYR  33   6.103   5.128  -4.049
  239    HA   TYR  33           HA       TYR  33   3.576   6.304  -5.068
  240   1HB   TYR  33          2HB       TYR  33   4.498   5.273  -2.407
  241   2HB   TYR  33          1HB       TYR  33   3.256   6.524  -2.419
  242    HD1  TYR  33           1HD      TYR  33   1.089   6.149  -3.512
  243    HD2  TYR  33           2HD      TYR  33   4.046   3.043  -3.290
  244    HE1  TYR  33           1HE      TYR  33  -0.618   4.474  -4.160
  245    HE2  TYR  33           2HE      TYR  33   2.339   1.369  -3.936
  246    HH   TYR  33           HH       TYR  33  -0.114   1.738  -5.395
  247    H    ASP  34           H        ASP  34   6.554   7.543  -4.905
  248    HA   ASP  34           HA       ASP  34   6.360   9.740  -3.166
  249   1HB   ASP  34          2HB       ASP  34   7.935  10.841  -4.891
  250   2HB   ASP  34          1HB       ASP  34   8.475   9.337  -4.141
  251    H    ILE  35           H        ILE  35   6.588  10.767  -6.390
  252    HA   ILE  35           HA       ILE  35   5.441  12.572  -7.453
  253    HB   ILE  35           HB       ILE  35   3.001  10.925  -6.756
  254   1HG1  ILE  35          2HG1      ILE  35   4.638   9.337  -7.545
  255   2HG1  ILE  35          1HG1      ILE  35   3.539   9.670  -8.888
  256   1HG2  ILE  35          1HG2      ILE  35   2.571  13.042  -7.912
  257   2HG2  ILE  35          2HG2      ILE  35   2.278  11.695  -9.006
  258   3HG2  ILE  35          3HG2      ILE  35   3.764  12.635  -9.137
  259   1HD1  ILE  35          1HD1      ILE  35   5.246  11.483  -9.592
  260   2HD1  ILE  35          2HD1      ILE  35   5.691   9.799  -9.863
  261   3HD1  ILE  35          3HD1      ILE  35   6.357  10.675  -8.481
  262    H    VAL  36           H        VAL  36   6.045  13.471  -5.027
  263    HA   VAL  36           HA       VAL  36   5.429  15.022  -3.385
  264    HB   VAL  36           HB       VAL  36   2.761  15.290  -4.792
  265   1HG1  VAL  36          1HG1      VAL  36   2.986  17.621  -3.998
  266   2HG1  VAL  36          2HG1      VAL  36   4.541  17.217  -3.271
  267   3HG1  VAL  36          3HG1      VAL  36   3.062  16.478  -2.660
  268   1HG2  VAL  36          1HG2      VAL  36   5.464  16.415  -5.575
  269   2HG2  VAL  36          2HG2      VAL  36   3.938  17.099  -6.135
  270   3HG2  VAL  36          3HG2      VAL  36   4.377  15.450  -6.570
  271    H    GLY  37           H        GLY  37   5.160  13.941  -1.481
  272   1HA   GLY  37          2HA       GLY  37   2.923  12.064  -1.110
  273   2HA   GLY  37          1HA       GLY  37   4.196  12.409   0.056
  274    H    ASP  38           H        ASP  38   1.027  12.559  -0.095
  275    HA   ASP  38           HA       ASP  38   0.410  15.298   0.545
  276   1HB   ASP  38          2HB       ASP  38  -1.016  12.669   0.731
  277   2HB   ASP  38          1HB       ASP  38  -1.671  14.018   1.660
  278    H    CYS  39           H        CYS  39   0.108  12.525   2.832
  279    HA   CYS  39           HA       CYS  39   0.878  14.408   5.009
  280   1HB   CYS  39          2HB       CYS  39  -0.190  12.971   6.532
  281   2HB   CYS  39          1HB       CYS  39  -1.234  12.938   5.109
  282    H    GLY  40           H        GLY  40   2.549  12.460   3.024
  283   1HA   GLY  40          2HA       GLY  40   4.743  11.626   3.211
  284   2HA   GLY  40          1HA       GLY  40   4.788  12.277   4.846
  285    H    GLY  41           H        GLY  41   2.061  10.498   4.856
  286   1HA   GLY  41          2HA       GLY  41   1.725   8.082   5.034
  287   2HA   GLY  41          1HA       GLY  41   3.428   7.895   5.436
  288    H    SER  42           H        SER  42   1.431  10.420   6.846
  289    HA   SER  42           HA       SER  42   1.850   9.175   9.527
  290   1HB   SER  42          2HB       SER  42   0.893  11.953   8.766
  291   2HB   SER  42          1HB       SER  42   1.226  11.392  10.402
  292    HG   SER  42           HG       SER  42   3.082  11.489   8.251
  293    H    ALA  43           H        ALA  43  -0.248   8.438   7.416
  294    HA   ALA  43           HA       ALA  43  -2.509   7.819   7.393
  295   1HB   ALA  43          1HB       ALA  43  -2.392   8.166  10.400
  296   2HB   ALA  43          2HB       ALA  43  -1.696   6.769   9.573
  297   3HB   ALA  43          3HB       ALA  43  -3.428   7.080   9.476
  298    H    SER  44           H        SER  44  -2.452  10.299   6.580
  299    HA   SER  44           HA       SER  44  -4.720  11.596   7.981
  300   1HB   SER  44          2HB       SER  44  -2.390  13.331   7.204
  301   2HB   SER  44          1HB       SER  44  -3.659  13.639   8.377
  302    HG   SER  44           HG       SER  44  -2.620  12.452   9.828
  303    H    CYS  45           H        CYS  45  -3.954  10.273   5.267
  304    HA   CYS  45           HA       CYS  45  -5.508  12.177   3.663
  305   1HB   CYS  45          2HB       CYS  45  -3.897  12.727   2.056
  306   2HB   CYS  45          1HB       CYS  45  -2.972  12.812   3.552
  307    H    ALA  46           H        ALA  46  -5.139  11.144   1.161
  308    HA   ALA  46           HA       ALA  46  -5.671   8.203   1.437
  309   1HB   ALA  46          1HB       ALA  46  -7.279   8.617  -0.540
  310   2HB   ALA  46          2HB       ALA  46  -7.197  10.318  -0.080
  311   3HB   ALA  46          3HB       ALA  46  -7.820   9.125   1.060
  312    H    THR  47           H        THR  47  -3.544  10.378   0.332
  313    HA   THR  47           HA       THR  47  -3.112   9.869  -2.403
  314    HB   THR  47           HB       THR  47  -1.173  10.384  -0.130
  315    HG1  THR  47           1HG      THR  47  -2.761  11.858  -1.727
  316   1HG2  THR  47          1HG2      THR  47   0.358  11.061  -2.148
  317   2HG2  THR  47          2HG2      THR  47  -0.647   9.941  -3.063
  318   3HG2  THR  47          3HG2      THR  47   0.268   9.366  -1.671
  319    H    CYS  48           H        CYS  48  -2.452   7.883   0.390
  320    HA   CYS  48           HA       CYS  48  -0.917   5.920  -1.169
  321   1HB   CYS  48          2HB       CYS  48  -0.857   4.688   0.993
  322   2HB   CYS  48          1HB       CYS  48  -0.208   6.320   1.099
  323    H    HIS  49           H        HIS  49  -3.614   6.391  -2.046
  324    HA   HIS  49           HA       HIS  49  -5.386   4.285  -1.109
  325   1HB   HIS  49          2HB       HIS  49  -6.367   6.226  -2.175
  326   2HB   HIS  49          1HB       HIS  49  -5.309   6.070  -3.559
  327    HD1  HIS  49           1HD      HIS  49  -7.816   3.637  -1.907
  328    HD2  HIS  49           2HD      HIS  49  -6.787   5.172  -5.632
  329    HE1  HIS  49           1HE      HIS  49  -9.374   2.537  -3.614
  330    HE2  HIS  49           2HE      HIS  49  -8.680   3.413  -5.869
  331    H    VAL  50           H        VAL  50  -4.745   2.113  -1.442
  332    HA   VAL  50           HA       VAL  50  -4.016   1.366  -4.236
  333    HB   VAL  50           HB       VAL  50  -1.945   0.461  -3.767
  334   1HG1  VAL  50          1HG1      VAL  50  -1.863   2.843  -3.009
  335   2HG1  VAL  50          2HG1      VAL  50  -0.693   1.811  -2.186
  336   3HG1  VAL  50          3HG1      VAL  50  -2.172   2.285  -1.370
  337   1HG2  VAL  50          1HG2      VAL  50  -2.591  -1.281  -2.251
  338   2HG2  VAL  50          2HG2      VAL  50  -3.002  -0.123  -0.982
  339   3HG2  VAL  50          3HG2      VAL  50  -1.317  -0.378  -1.431
  340    H    TYR  51           H        TYR  51  -3.877  -1.175  -4.271
  341    HA   TYR  51           HA       TYR  51  -6.102  -2.262  -2.590
  342   1HB   TYR  51          2HB       TYR  51  -5.405  -2.671  -5.495
  343   2HB   TYR  51          1HB       TYR  51  -6.648  -3.564  -4.645
  344    HD1  TYR  51           1HD      TYR  51  -8.549  -2.132  -3.477
  345    HD2  TYR  51           2HD      TYR  51  -5.829  -0.566  -6.429
  346    HE1  TYR  51           1HE      TYR  51 -10.059  -0.215  -3.879
  347    HE2  TYR  51           2HE      TYR  51  -7.359   1.312  -6.806
  348    HH   TYR  51           HH       TYR  51 -10.477   1.364  -5.946
  349    H    VAL  52           H        VAL  52  -5.194  -3.607  -1.263
  350    HA   VAL  52           HA       VAL  52  -2.722  -5.127  -1.883
  351    HB   VAL  52           HB       VAL  52  -4.373  -5.087   0.651
  352   1HG1  VAL  52          1HG1      VAL  52  -3.262  -7.192   0.561
  353   2HG1  VAL  52          2HG1      VAL  52  -2.259  -6.172   1.585
  354   3HG1  VAL  52          3HG1      VAL  52  -1.794  -6.471  -0.084
  355   1HG2  VAL  52          1HG2      VAL  52  -3.018  -2.986  -0.052
  356   2HG2  VAL  52          2HG2      VAL  52  -1.589  -3.968   0.262
  357   3HG2  VAL  52          3HG2      VAL  52  -2.733  -3.631   1.561
  358    H    ASN  53           H        ASN  53  -2.721  -7.259  -2.472
  359    HA   ASN  53           HA       ASN  53  -5.075  -8.555  -3.303
  360   1HB   ASN  53          2HB       ASN  53  -3.666 -10.711  -2.942
  361   2HB   ASN  53          1HB       ASN  53  -3.123  -9.537  -4.125
  362   1HD2  ASN  53          1HD2      ASN  53  -1.383 -11.425  -2.773
  363   2HD2  ASN  53          2HD2      ASN  53  -0.286 -10.533  -1.833
  364    H    GLU  54           H        GLU  54  -6.743  -9.256  -2.135
  365    HA   GLU  54           HA       GLU  54  -7.086  -9.113   0.599
  366   1HB   GLU  54          2HB       GLU  54  -8.877 -10.860   0.305
  367   2HB   GLU  54          1HB       GLU  54  -8.967  -9.517  -0.827
  368   1HG   GLU  54          2HG       GLU  54  -7.919 -10.830  -2.564
  369   2HG   GLU  54          1HG       GLU  54  -7.583 -12.141  -1.432
  370    H    ALA  55           H        ALA  55  -4.820 -11.153  -0.776
  371    HA   ALA  55           HA       ALA  55  -5.186 -13.379   1.104
  372   1HB   ALA  55          1HB       ALA  55  -4.326 -14.026  -1.008
  373   2HB   ALA  55          2HB       ALA  55  -2.946 -14.109   0.082
  374   3HB   ALA  55          3HB       ALA  55  -3.124 -12.737  -1.008
  375    H    PHE  56           H        PHE  56  -3.495 -10.277   1.208
  376    HA   PHE  56           HA       PHE  56  -1.873 -11.238   3.512
  377   1HB   PHE  56          2HB       PHE  56  -1.473  -8.971   1.530
  378   2HB   PHE  56          1HB       PHE  56  -0.444  -9.261   2.936
  379    HD1  PHE  56           1HD      PHE  56  -1.819 -11.046  -0.072
  380    HD2  PHE  56           2HD      PHE  56   1.425 -10.657   2.685
  381    HE1  PHE  56           1HE      PHE  56  -0.545 -12.761  -1.323
  382    HE2  PHE  56           2HE      PHE  56   2.689 -12.378   1.472
  383    HZ   PHE  56           HZ       PHE  56   1.717 -13.431  -0.556
  384    H    THR  57           H        THR  57  -4.560  -9.547   2.531
  385    HA   THR  57           HA       THR  57  -4.544  -7.262   4.286
  386    HB   THR  57           HB       THR  57  -6.991  -7.230   3.822
  387    HG1  THR  57           1HG      THR  57  -7.360  -9.448   3.780
  388   1HG2  THR  57          1HG2      THR  57  -5.322  -7.862   1.386
  389   2HG2  THR  57          2HG2      THR  57  -5.312  -6.329   2.248
  390   3HG2  THR  57          3HG2      THR  57  -6.779  -6.868   1.438
  391    H    ASP  58           H        ASP  58  -5.967 -10.525   4.555
  392    HA   ASP  58           HA       ASP  58  -6.974  -9.962   7.246
  393   1HB   ASP  58          2HB       ASP  58  -7.814 -12.245   7.181
  394   2HB   ASP  58          1HB       ASP  58  -8.148 -11.492   5.628
  395    H    LYS  59           H        LYS  59  -4.019 -10.541   6.005
  396    HA   LYS  59           HA       LYS  59  -3.044 -12.229   8.263
  397   1HB   LYS  59          2HB       LYS  59  -1.411 -11.132   5.973
  398   2HB   LYS  59          1HB       LYS  59  -1.109 -12.573   6.941
  399   1HG   LYS  59          2HG       LYS  59  -3.374 -12.196   4.946
  400   2HG   LYS  59          1HG       LYS  59  -1.939 -13.204   4.721
  401   1HD   LYS  59          2HD       LYS  59  -2.697 -14.338   6.953
  402   2HD   LYS  59          1HD       LYS  59  -4.259 -13.612   6.587
  403   1HE   LYS  59          2HE       LYS  59  -4.348 -14.778   4.456
  404   2HE   LYS  59          1HE       LYS  59  -2.714 -15.399   4.686
  405   1HZ   LYS  59          1HZ       LYS  59  -4.133 -17.120   5.344
  406   2HZ   LYS  59          2HZ       LYS  59  -5.161 -16.079   6.202
  407   3HZ   LYS  59          3HZ       LYS  59  -3.607 -16.427   6.793
  408    H    VAL  60           H        VAL  60  -2.418  -9.146   6.630
  409    HA   VAL  60           HA       VAL  60  -0.656  -8.223   8.783
  410    HB   VAL  60           HB       VAL  60  -1.252  -7.509   6.050
  411   1HG1  VAL  60          1HG1      VAL  60  -1.234  -5.097   6.074
  412   2HG1  VAL  60          2HG1      VAL  60  -1.222  -5.074   7.830
  413   3HG1  VAL  60          3HG1      VAL  60  -2.629  -5.686   6.965
  414   1HG2  VAL  60          1HG2      VAL  60   1.014  -7.811   6.379
  415   2HG2  VAL  60          2HG2      VAL  60   1.019  -7.008   7.940
  416   3HG2  VAL  60          3HG2      VAL  60   0.938  -6.063   6.467
  417    HA   PRO  61           HA       PRO  61  -3.445  -6.591  11.715
  418   1HB   PRO  61          2HB       PRO  61  -2.603  -3.801  11.558
  419   2HB   PRO  61          1HB       PRO  61  -2.282  -4.994  12.826
  420   1HG   PRO  61          2HG       PRO  61  -0.539  -4.094  10.680
  421   2HG   PRO  61          1HG       PRO  61  -0.143  -5.076  12.095
  422   1HD   PRO  61          2HD       PRO  61  -0.189  -6.032   9.508
  423   2HD   PRO  61          1HD       PRO  61  -0.352  -7.057  10.911
  424    H    ALA  62           H        ALA  62  -5.549  -6.552  11.114
  425    HA   ALA  62           HA       ALA  62  -6.879  -5.538   9.026
  426   1HB   ALA  62          1HB       ALA  62  -8.839  -5.229  10.587
  427   2HB   ALA  62          2HB       ALA  62  -7.737  -5.579  11.919
  428   3HB   ALA  62          3HB       ALA  62  -8.049  -6.804  10.692
  429    H    ALA  63           H        ALA  63  -7.601  -3.684   8.326
  430    HA   ALA  63           HA       ALA  63  -6.369  -1.218   8.999
  431   1HB   ALA  63          1HB       ALA  63  -8.282  -0.219   7.635
  432   2HB   ALA  63          2HB       ALA  63  -8.894  -1.862   7.465
  433   3HB   ALA  63          3HB       ALA  63  -7.310  -1.439   6.819
  434    H    ASN  64           H        ASN  64  -6.803   0.249  10.498
  435    HA   ASN  64           HA       ASN  64  -8.912  -0.283  12.468
  436   1HB   ASN  64          2HB       ASN  64  -7.922   1.401  13.810
  437   2HB   ASN  64          1HB       ASN  64  -6.592   0.573  13.018
  438   1HD2  ASN  64          1HD2      ASN  64  -5.618   1.702  11.070
  439   2HD2  ASN  64          2HD2      ASN  64  -5.732   3.392  10.966
  440    H    GLU  65           H        GLU  65 -10.154   1.627  13.330
  441    HA   GLU  65           HA       GLU  65 -12.134   2.437  11.500
  442   1HB   GLU  65          2HB       GLU  65 -12.937   3.929  13.250
  443   2HB   GLU  65          1HB       GLU  65 -12.414   2.401  13.967
  444   1HG   GLU  65          2HG       GLU  65 -10.143   3.520  14.344
  445   2HG   GLU  65          1HG       GLU  65 -10.941   5.042  13.948
  446    H    ARG  66           H        ARG  66  -9.028   4.005  12.092
  447    HA   ARG  66           HA       ARG  66  -9.857   6.610  11.214
  448   1HB   ARG  66          2HB       ARG  66  -7.122   5.299  11.073
  449   2HB   ARG  66          1HB       ARG  66  -7.446   7.017  10.954
  450   1HG   ARG  66          2HG       ARG  66  -8.027   7.234  13.205
  451   2HG   ARG  66          1HG       ARG  66  -8.419   5.530  13.386
  452   1HD   ARG  66          2HD       ARG  66  -6.376   5.661  14.518
  453   2HD   ARG  66          1HD       ARG  66  -5.840   5.187  12.916
  454    HE   ARG  66           HE       ARG  66  -5.940   8.086  13.491
  455   1HH1  ARG  66          1HH2      ARG  66  -4.099   5.179  13.023
  456   2HH1  ARG  66          2HH2      ARG  66  -2.590   6.017  12.887
  457   1HH2  ARG  66          1HH1      ARG  66  -3.972   9.154  13.358
  458   2HH2  ARG  66          2HH1      ARG  66  -2.514   8.261  13.074
  459    H    GLU  67           H        GLU  67  -8.738   3.691   9.595
  460    HA   GLU  67           HA       GLU  67  -8.436   4.871   6.979
  461   1HB   GLU  67          2HB       GLU  67  -8.855   2.014   7.871
  462   2HB   GLU  67          1HB       GLU  67  -8.418   2.493   6.229
  463   1HG   GLU  67          2HG       GLU  67  -6.368   3.559   7.089
  464   2HG   GLU  67          1HG       GLU  67  -6.802   3.072   8.730
  465    H    ILE  68           H        ILE  68 -11.068   3.054   8.568
  466    HA   ILE  68           HA       ILE  68 -12.782   2.771   6.353
  467    HB   ILE  68           HB       ILE  68 -13.298   3.147   9.310
  468   1HG1  ILE  68          2HG1      ILE  68 -13.938   0.836   9.234
  469   2HG1  ILE  68          1HG1      ILE  68 -14.010   0.841   7.475
  470   1HG2  ILE  68          1HG2      ILE  68 -15.252   4.170   8.397
  471   2HG2  ILE  68          2HG2      ILE  68 -15.720   2.504   8.729
  472   3HG2  ILE  68          3HG2      ILE  68 -15.344   3.001   7.083
  473   1HD1  ILE  68          1HD1      ILE  68 -11.942  -0.238   8.505
  474   2HD1  ILE  68          2HD1      ILE  68 -11.458   1.380   8.999
  475   3HD1  ILE  68          3HD1      ILE  68 -11.630   0.993   7.285
  476    H    GLY  69           H        GLY  69 -12.189   5.621   8.391
  477   1HA   GLY  69          2HA       GLY  69 -14.283   7.158   7.040
  478   2HA   GLY  69          1HA       GLY  69 -13.134   7.790   8.206
  479    H    MET  70           H        MET  70 -10.738   6.809   6.732
  480    HA   MET  70           HA       MET  70 -10.581   9.022   4.814
  481   1HB   MET  70          2HB       MET  70  -8.666   6.918   5.840
  482   2HB   MET  70          1HB       MET  70  -8.246   7.905   4.439
  483   1HG   MET  70          2HG       MET  70  -8.519   9.943   5.738
  484   2HG   MET  70          1HG       MET  70  -9.074   9.018   7.129
  485   1HE   MET  70          1HE       MET  70  -7.790   8.108   8.829
  486   2HE   MET  70          2HE       MET  70  -6.113   7.575   8.777
  487   3HE   MET  70          3HE       MET  70  -7.329   6.710   7.851
  488    H    LEU  71           H        LEU  71 -10.883   5.519   4.802
  489    HA   LEU  71           HA       LEU  71 -10.376   5.078   2.032
  490   1HB   LEU  71          2HB       LEU  71 -11.937   3.625   4.153
  491   2HB   LEU  71          1HB       LEU  71 -12.062   3.094   2.491
  492    HG   LEU  71           HG       LEU  71  -9.382   3.487   3.839
  493   1HD1  LEU  71          1HD1      LEU  71 -10.595   1.875   5.189
  494   2HD1  LEU  71          2HD1      LEU  71  -9.415   1.006   4.211
  495   3HD1  LEU  71          3HD1      LEU  71 -11.118   1.002   3.751
  496   1HD2  LEU  71          1HD2      LEU  71  -8.838   1.632   2.074
  497   2HD2  LEU  71          2HD2      LEU  71  -9.058   3.275   1.495
  498   3HD2  LEU  71          3HD2      LEU  71 -10.359   2.100   1.327
  499    H    GLU  72           H        GLU  72 -13.161   6.354   3.753
  500    HA   GLU  72           HA       GLU  72 -14.935   6.131   1.443
  501   1HB   GLU  72          2HB       GLU  72 -15.976   6.093   3.614
  502   2HB   GLU  72          1HB       GLU  72 -15.125   7.555   4.123
  503   1HG   GLU  72          2HG       GLU  72 -16.440   8.943   2.730
  504   2HG   GLU  72          1HG       GLU  72 -16.982   7.593   1.733
  505    H    CYS  73           H        CYS  73 -12.350   8.062   2.268
  506    HA   CYS  73           HA       CYS  73 -13.379  10.454   0.778
  507   1HB   CYS  73          2HB       CYS  73 -11.830  10.135   3.166
  508   2HB   CYS  73          1HB       CYS  73 -10.801  10.934   1.987
  509    HG   CYS  73           HG       CYS  73 -12.917  12.329   3.480
  510    H    VAL  74           H        VAL  74 -11.812   7.710  -0.154
  511    HA   VAL  74           HA       VAL  74  -9.485   8.826  -1.450
  512    HB   VAL  74           HB       VAL  74  -9.436   6.709  -2.698
  513   1HG1  VAL  74          1HG1      VAL  74  -9.941   6.652   0.271
  514   2HG1  VAL  74          2HG1      VAL  74  -8.406   6.547  -0.585
  515   3HG1  VAL  74          3HG1      VAL  74  -9.522   5.182  -0.601
  516   1HG2  VAL  74          1HG2      VAL  74 -11.236   5.292  -2.911
  517   2HG2  VAL  74          2HG2      VAL  74 -12.197   6.709  -2.518
  518   3HG2  VAL  74          3HG2      VAL  74 -11.779   5.568  -1.259
  519    H    THR  75           H        THR  75  -9.246   8.889  -3.860
  520    HA   THR  75           HA       THR  75 -11.593  10.233  -5.044
  521    HB   THR  75           HB       THR  75  -8.931   9.879  -6.405
  522    HG1  THR  75           1HG      THR  75  -8.100  10.776  -4.705
  523   1HG2  THR  75          1HG2      THR  75 -11.070  11.030  -7.386
  524   2HG2  THR  75          2HG2      THR  75  -9.519  11.852  -7.544
  525   3HG2  THR  75          3HG2      THR  75 -10.656  12.345  -6.287
  526    H    ALA  76           H        ALA  76  -9.853   7.142  -5.447
  527    HA   ALA  76           HA       ALA  76 -11.308   6.674  -7.999
  528   1HB   ALA  76          1HB       ALA  76  -9.656   5.166  -8.507
  529   2HB   ALA  76          2HB       ALA  76  -9.607   4.511  -6.872
  530   3HB   ALA  76          3HB       ALA  76  -8.763   6.012  -7.244
  531    H    GLU  77           H        GLU  77 -11.954   4.057  -8.023
  532    HA   GLU  77           HA       GLU  77 -14.241   3.939  -6.314
  533   1HB   GLU  77          2HB       GLU  77 -14.843   2.799  -8.184
  534   2HB   GLU  77          1HB       GLU  77 -13.169   2.720  -8.688
  535   1HG   GLU  77          2HG       GLU  77 -14.124   0.478  -8.560
  536   2HG   GLU  77          1HG       GLU  77 -12.890   0.644  -7.319
  537    H    LEU  78           H        LEU  78 -14.446   2.917  -4.354
  538    HA   LEU  78           HA       LEU  78 -12.089   1.595  -3.189
  539   1HB   LEU  78          2HB       LEU  78 -14.051   3.068  -2.052
  540   2HB   LEU  78          1HB       LEU  78 -14.733   1.467  -1.786
  541    HG   LEU  78           HG       LEU  78 -12.420   0.796  -0.869
  542   1HD1  LEU  78          1HD1      LEU  78 -11.764   3.387  -1.785
  543   2HD1  LEU  78          2HD1      LEU  78 -10.746   2.279  -0.910
  544   3HD1  LEU  78          3HD1      LEU  78 -11.691   3.474  -0.029
  545   1HD2  LEU  78          1HD2      LEU  78 -14.575   1.508   0.468
  546   2HD2  LEU  78          2HD2      LEU  78 -13.659   2.973   0.805
  547   3HD2  LEU  78          3HD2      LEU  78 -13.033   1.401   1.308
  548    H    LYS  79           H        LYS  79 -12.006  -0.422  -2.342
  549    HA   LYS  79           HA       LYS  79 -13.705  -2.465  -3.710
  550   1HB   LYS  79          2HB       LYS  79 -10.802  -2.232  -2.989
  551   2HB   LYS  79          1HB       LYS  79 -11.502  -3.833  -3.205
  552   1HG   LYS  79          2HG       LYS  79 -11.790  -1.686  -5.307
  553   2HG   LYS  79          1HG       LYS  79 -10.360  -2.702  -5.241
  554   1HD   LYS  79          2HD       LYS  79 -11.843  -4.722  -5.351
  555   2HD   LYS  79          1HD       LYS  79 -13.220  -3.649  -5.596
  556   1HE   LYS  79          2HE       LYS  79 -10.787  -3.862  -7.386
  557   2HE   LYS  79          1HE       LYS  79 -12.418  -4.423  -7.757
  558   1HZ   LYS  79          1HZ       LYS  79 -12.798  -1.839  -7.039
  559   2HZ   LYS  79          2HZ       LYS  79 -12.707  -2.411  -8.634
  560   3HZ   LYS  79          3HZ       LYS  79 -11.327  -1.768  -7.884
  561    HA   PRO  80           HA       PRO  80 -14.906  -3.838   0.325
  562   1HB   PRO  80          2HB       PRO  80 -14.441  -6.613   0.098
  563   2HB   PRO  80          1HB       PRO  80 -15.924  -5.774  -0.386
  564   1HG   PRO  80          2HG       PRO  80 -13.619  -6.663  -2.050
  565   2HG   PRO  80          1HG       PRO  80 -15.346  -6.620  -2.441
  566   1HD   PRO  80          2HD       PRO  80 -13.628  -4.773  -3.420
  567   2HD   PRO  80          1HD       PRO  80 -15.303  -4.349  -2.991
  568    H    ASN  81           H        ASN  81 -11.885  -5.013  -1.016
  569    HA   ASN  81           HA       ASN  81 -10.668  -5.136   1.720
  570   1HB   ASN  81          2HB       ASN  81  -8.998  -6.607   0.745
  571   2HB   ASN  81          1HB       ASN  81 -10.596  -7.214   0.323
  572   1HD2  ASN  81          1HD2      ASN  81  -7.577  -6.276  -0.987
  573   2HD2  ASN  81          2HD2      ASN  81  -8.048  -6.188  -2.609
  574    H    SER  82           H        SER  82 -11.030  -2.555   0.224
  575    HA   SER  82           HA       SER  82  -8.628  -1.764  -1.056
  576   1HB   SER  82          2HB       SER  82 -10.797  -0.282   0.411
  577   2HB   SER  82          1HB       SER  82  -9.387   0.560  -0.232
  578    HG   SER  82           HG       SER  82 -10.078   0.228  -2.183
  579    H    ARG  83           H        ARG  83  -6.772  -0.885  -0.252
  580    HA   ARG  83           HA       ARG  83  -6.477  -0.682   2.726
  581   1HB   ARG  83          2HB       ARG  83  -5.126  -2.509   0.802
  582   2HB   ARG  83          1HB       ARG  83  -4.098  -1.799   2.031
  583   1HG   ARG  83          2HG       ARG  83  -6.710  -3.117   2.750
  584   2HG   ARG  83          1HG       ARG  83  -5.235  -4.056   2.557
  585   1HD   ARG  83          2HD       ARG  83  -4.223  -3.110   4.426
  586   2HD   ARG  83          1HD       ARG  83  -5.172  -1.631   4.335
  587    HE   ARG  83           HE       ARG  83  -7.129  -2.944   5.149
  588   1HH1  ARG  83          1HH2      ARG  83  -3.923  -4.199   5.682
  589   2HH1  ARG  83          2HH2      ARG  83  -4.459  -5.360   6.850
  590   1HH2  ARG  83          1HH1      ARG  83  -7.787  -4.462   6.651
  591   2HH2  ARG  83          2HH1      ARG  83  -6.622  -5.526   7.363
  592    H    LEU  84           H        LEU  84  -4.641   0.538   3.436
  593    HA   LEU  84           HA       LEU  84  -3.845   2.664   1.504
  594   1HB   LEU  84          2HB       LEU  84  -3.655   2.521   4.532
  595   2HB   LEU  84          1HB       LEU  84  -3.117   3.886   3.559
  596    HG   LEU  84           HG       LEU  84  -5.344   4.330   4.469
  597   1HD1  LEU  84          1HD1      LEU  84  -4.657   4.906   1.989
  598   2HD1  LEU  84          2HD1      LEU  84  -6.309   5.170   2.540
  599   3HD1  LEU  84          3HD1      LEU  84  -5.914   3.743   1.584
  600   1HD2  LEU  84          1HD2      LEU  84  -7.156   2.900   4.318
  601   2HD2  LEU  84          2HD2      LEU  84  -5.855   1.719   4.401
  602   3HD2  LEU  84          3HD2      LEU  84  -6.577   2.126   2.845
  603    H    CYS  85           H        CYS  85  -1.460   3.376   1.830
  604    HA   CYS  85           HA       CYS  85   0.225   0.904   1.945
  605   1HB   CYS  85          2HB       CYS  85  -0.051   2.586  -0.097
  606   2HB   CYS  85          1HB       CYS  85   1.239   3.442   0.725
  607    HG   CYS  85           HG       CYS  85   1.551   0.420  -0.031
  608    H    CYS  86           H        CYS  86  -0.316   3.757   3.786
  609    HA   CYS  86           HA       CYS  86   2.504   3.802   4.750
  610   1HB   CYS  86          2HB       CYS  86   1.918   5.909   5.844
  611   2HB   CYS  86          1HB       CYS  86   1.536   5.949   4.117
  612    H    GLN  87           H        GLN  87  -0.577   2.637   5.845
  613    HA   GLN  87           HA       GLN  87   0.515   2.466   8.647
  614   1HB   GLN  87          2HB       GLN  87  -1.843   1.960   9.306
  615   2HB   GLN  87          1HB       GLN  87  -1.612   3.565   8.617
  616   1HG   GLN  87          2HG       GLN  87  -2.232   2.233   6.347
  617   2HG   GLN  87          1HG       GLN  87  -3.081   1.208   7.500
  618   1HE2  GLN  87          1HE2      GLN  87  -4.162   2.889   9.333
  619   2HE2  GLN  87          2HE2      GLN  87  -5.149   4.064   8.609
  620    H    ILE  88           H        ILE  88   0.971   0.695   6.207
  621    HA   ILE  88           HA       ILE  88   0.111  -1.922   7.426
  622    HB   ILE  88           HB       ILE  88   0.817  -1.205   4.575
  623   1HG1  ILE  88          2HG1      ILE  88  -1.643  -2.415   5.872
  624   2HG1  ILE  88          1HG1      ILE  88  -1.462  -0.711   5.454
  625   1HG2  ILE  88          1HG2      ILE  88   0.134  -3.772   4.324
  626   2HG2  ILE  88          2HG2      ILE  88   0.724  -3.861   5.973
  627   3HG2  ILE  88          3HG2      ILE  88   1.796  -3.326   4.690
  628   1HD1  ILE  88          1HD1      ILE  88  -2.591  -1.570   3.613
  629   2HD1  ILE  88          2HD1      ILE  88  -1.694  -3.082   3.623
  630   3HD1  ILE  88          3HD1      ILE  88  -0.922  -1.596   3.057
  631    H    ILE  89           H        ILE  89   1.583  -3.121   8.375
  632    HA   ILE  89           HA       ILE  89   4.458  -2.453   8.119
  633    HB   ILE  89           HB       ILE  89   2.901  -4.171  10.071
  634   1HG1  ILE  89          2HG1      ILE  89   2.543  -1.792  10.438
  635   2HG1  ILE  89          1HG1      ILE  89   3.583  -2.419  11.716
  636   1HG2  ILE  89          1HG2      ILE  89   5.859  -3.740   9.722
  637   2HG2  ILE  89          2HG2      ILE  89   4.981  -5.236  10.032
  638   3HG2  ILE  89          3HG2      ILE  89   5.191  -4.061  11.327
  639   1HD1  ILE  89          1HD1      ILE  89   4.240  -0.559   9.467
  640   2HD1  ILE  89          2HD1      ILE  89   5.512  -1.641  10.040
  641   3HD1  ILE  89          3HD1      ILE  89   4.753  -0.505  11.150
  642    H    MET  90           H        MET  90   5.615  -3.629   6.685
  643    HA   MET  90           HA       MET  90   4.676  -6.188   5.722
  644   1HB   MET  90          2HB       MET  90   6.189  -4.353   4.567
  645   2HB   MET  90          1HB       MET  90   7.505  -5.261   5.309
  646   1HG   MET  90          2HG       MET  90   7.153  -6.214   3.144
  647   2HG   MET  90          1HG       MET  90   6.476  -7.351   4.297
  648   1HE   MET  90          1HE       MET  90   4.575  -8.590   2.821
  649   2HE   MET  90          2HE       MET  90   3.025  -7.872   3.265
  650   3HE   MET  90          3HE       MET  90   4.269  -8.094   4.496
  651    H    THR  91           H        THR  91   5.859  -8.188   5.933
  652    HA   THR  91           HA       THR  91   7.835  -8.398   8.109
  653    HB   THR  91           HB       THR  91   6.513 -10.221   9.228
  654    HG1  THR  91           1HG      THR  91   4.292 -10.289   8.729
  655   1HG2  THR  91          1HG2      THR  91   5.040  -7.586   9.184
  656   2HG2  THR  91          2HG2      THR  91   6.564  -7.841  10.031
  657   3HG2  THR  91          3HG2      THR  91   5.128  -8.745  10.506
  658    HA   PRO  92           HA       PRO  92   9.446 -11.365   5.281
  659   1HB   PRO  92          2HB       PRO  92  10.415 -13.294   7.086
  660   2HB   PRO  92          1HB       PRO  92  11.295 -11.856   6.551
  661   1HG   PRO  92          2HG       PRO  92   9.770 -12.315   9.062
  662   2HG   PRO  92          1HG       PRO  92  11.251 -11.380   8.794
  663   1HD   PRO  92          2HD       PRO  92   8.852 -10.179   9.132
  664   2HD   PRO  92          1HD       PRO  92  10.089  -9.507   8.044
  665    H    GLU  93           H        GLU  93   7.557 -12.796   7.978
  666    HA   GLU  93           HA       GLU  93   6.941 -15.232   6.673
  667   1HB   GLU  93          2HB       GLU  93   4.756 -15.080   8.087
  668   2HB   GLU  93          1HB       GLU  93   6.298 -15.170   8.929
  669   1HG   GLU  93          2HG       GLU  93   5.177 -12.467   8.218
  670   2HG   GLU  93          1HG       GLU  93   4.520 -13.331   9.606
  671    H    LEU  94           H        LEU  94   5.399 -12.042   6.388
  672    HA   LEU  94           HA       LEU  94   3.423 -13.167   4.511
  673   1HB   LEU  94          2HB       LEU  94   3.734 -10.580   5.937
  674   2HB   LEU  94          1HB       LEU  94   2.932 -10.459   4.398
  675    HG   LEU  94           HG       LEU  94   2.126 -12.439   6.558
  676   1HD1  LEU  94          1HD1      LEU  94   1.878  -9.876   7.074
  677   2HD1  LEU  94          2HD1      LEU  94   0.506 -10.945   7.346
  678   3HD1  LEU  94          3HD1      LEU  94   0.571  -9.954   5.896
  679   1HD2  LEU  94          1HD2      LEU  94   0.363 -13.054   5.200
  680   2HD2  LEU  94          2HD2      LEU  94   1.480 -12.591   3.928
  681   3HD2  LEU  94          3HD2      LEU  94   0.239 -11.472   4.441
  682    H    ASP  95           H        ASP  95   6.387 -12.960   3.933
  683    HA   ASP  95           HA       ASP  95   6.893 -11.041   1.921
  684   1HB   ASP  95          2HB       ASP  95   8.594 -12.696   1.106
  685   2HB   ASP  95          1HB       ASP  95   8.661 -12.444   2.845
  686    H    GLY  96           H        GLY  96   6.443 -10.966  -0.280
  687   1HA   GLY  96          2HA       GLY  96   5.855 -12.017  -2.403
  688   2HA   GLY  96          1HA       GLY  96   4.900 -13.201  -1.515
  689    H    ILE  97           H        ILE  97   4.267 -10.370  -0.018
  690    HA   ILE  97           HA       ILE  97   1.576 -10.253  -0.767
  691    HB   ILE  97           HB       ILE  97   2.419  -9.071   1.185
  692   1HG1  ILE  97          2HG1      ILE  97   1.128  -7.111  -0.722
  693   2HG1  ILE  97          1HG1      ILE  97   0.250  -8.404   0.084
  694   1HG2  ILE  97          1HG2      ILE  97   3.488  -6.857   0.880
  695   2HG2  ILE  97          2HG2      ILE  97   3.606  -7.163  -0.834
  696   3HG2  ILE  97          3HG2      ILE  97   4.490  -8.180   0.299
  697   1HD1  ILE  97          1HD1      ILE  97   0.052  -6.294   1.338
  698   2HD1  ILE  97          2HD1      ILE  97   1.806  -6.197   1.454
  699   3HD1  ILE  97          3HD1      ILE  97   0.939  -7.496   2.269
  700    H    VAL  98           H        VAL  98   0.351  -9.422  -2.364
  701    HA   VAL  98           HA       VAL  98   1.777  -7.984  -4.577
  702    HB   VAL  98           HB       VAL  98  -0.945  -9.274  -4.709
  703   1HG1  VAL  98          1HG1      VAL  98   1.136  -8.759  -6.845
  704   2HG1  VAL  98          2HG1      VAL  98  -0.202  -7.664  -6.500
  705   3HG1  VAL  98          3HG1      VAL  98  -0.527  -9.292  -7.096
  706   1HG2  VAL  98          1HG2      VAL  98   0.290 -11.234  -5.728
  707   2HG2  VAL  98          2HG2      VAL  98   0.557 -11.027  -3.994
  708   3HG2  VAL  98          3HG2      VAL  98   1.789 -10.507  -5.147
  709    H    VAL  99           H        VAL  99   1.472  -5.808  -4.524
  710    HA   VAL  99           HA       VAL  99  -1.061  -4.709  -3.388
  711    HB   VAL  99           HB       VAL  99   1.365  -3.078  -4.117
  712   1HG1  VAL  99          1HG1      VAL  99  -0.772  -2.883  -1.966
  713   2HG1  VAL  99          2HG1      VAL  99  -0.667  -1.901  -3.430
  714   3HG1  VAL  99          3HG1      VAL  99   0.556  -1.738  -2.171
  715   1HG2  VAL  99          1HG2      VAL  99   1.053  -4.921  -1.752
  716   2HG2  VAL  99          2HG2      VAL  99   2.040  -3.462  -1.643
  717   3HG2  VAL  99          3HG2      VAL  99   2.444  -4.713  -2.816
  718    H    ASP 100           H        ASP 100  -2.474  -3.840  -4.756
  719    HA   ASP 100           HA       ASP 100  -1.696  -3.386  -7.585
  720   1HB   ASP 100          2HB       ASP 100  -4.117  -4.316  -6.178
  721   2HB   ASP 100          1HB       ASP 100  -4.441  -3.224  -7.530
  722    H    VAL 101           H        VAL 101  -1.376  -1.381  -8.248
  723    HA   VAL 101           HA       VAL 101  -2.472   0.870  -6.638
  724    HB   VAL 101           HB       VAL 101  -0.332   1.047  -8.754
  725   1HG1  VAL 101          1HG1      VAL 101  -1.096   3.193  -8.099
  726   2HG1  VAL 101          2HG1      VAL 101   0.392   2.936  -7.189
  727   3HG1  VAL 101          3HG1      VAL 101  -1.166   2.744  -6.393
  728   1HG2  VAL 101          1HG2      VAL 101   1.208   0.933  -6.628
  729   2HG2  VAL 101          2HG2      VAL 101   0.645  -0.563  -7.365
  730   3HG2  VAL 101          3HG2      VAL 101  -0.146   0.048  -5.919
  731    HA   PRO 102           HA       PRO 102  -5.069   1.593 -10.297
  732   1HB   PRO 102          2HB       PRO 102  -6.470   3.718  -9.415
  733   2HB   PRO 102          1HB       PRO 102  -6.684   2.118  -8.690
  734   1HG   PRO 102          2HG       PRO 102  -5.070   4.415  -7.695
  735   2HG   PRO 102          1HG       PRO 102  -6.169   3.340  -6.814
  736   1HD   PRO 102          2HD       PRO 102  -3.438   3.018  -6.823
  737   2HD   PRO 102          1HD       PRO 102  -4.589   1.686  -6.575
  738    H    ASP 103           H        ASP 103  -5.823   3.724 -11.475
  739    HA   ASP 103           HA       ASP 103  -3.384   5.215 -12.288
  740   1HB   ASP 103          2HB       ASP 103  -4.802   6.074 -14.119
  741   2HB   ASP 103          1HB       ASP 103  -4.872   4.312 -14.053
  742    H    ARG 104           H        ARG 104  -6.093   5.459 -10.286
  743    HA   ARG 104           HA       ARG 104  -5.774   8.421  -9.959
  744   1HB   ARG 104          2HB       ARG 104  -8.148   6.557  -9.652
  745   2HB   ARG 104          1HB       ARG 104  -8.138   8.162  -8.939
  746   1HG   ARG 104          2HG       ARG 104  -7.458   7.911 -11.860
  747   2HG   ARG 104          1HG       ARG 104  -9.144   7.704 -11.395
  748   1HD   ARG 104          2HD       ARG 104  -9.055   9.988 -11.800
  749   2HD   ARG 104          1HD       ARG 104  -8.746   9.963 -10.067
  750    HE   ARG 104           HE       ARG 104  -6.215   9.856 -10.939
  751   1HH1  ARG 104          1HH2      ARG 104  -8.886  11.635 -12.233
  752   2HH1  ARG 104          2HH2      ARG 104  -7.898  12.917 -12.837
  753   1HH2  ARG 104          1HH1      ARG 104  -4.930  11.533 -11.710
  754   2HH2  ARG 104          2HH1      ARG 104  -5.663  12.866 -12.540
  755    H    GLN 105           H        GLN 105  -4.434   8.586  -8.061
  756    HA   GLN 105           HA       GLN 105  -5.280   6.896  -5.742
  757   1HB   GLN 105          2HB       GLN 105  -2.783   6.954  -5.132
  758   2HB   GLN 105          1HB       GLN 105  -3.235   5.889  -6.458
  759   1HG   GLN 105          2HG       GLN 105  -2.526   7.545  -8.094
  760   2HG   GLN 105          1HG       GLN 105  -2.202   8.717  -6.819
  761   1HE2  GLN 105          1HE2      GLN 105  -0.003   8.860  -6.405
  762   2HE2  GLN 105          2HE2      GLN 105   1.087   7.560  -6.449
  763    H    TRP 106           H        TRP 106  -3.865   9.848  -7.042
  764    HA   TRP 106           HA       TRP 106  -3.923  12.056  -6.235
  765   1HB   TRP 106          2HB       TRP 106  -6.092  10.826  -4.924
  766   2HB   TRP 106          1HB       TRP 106  -5.179  11.551  -3.609
  767    HD1  TRP 106           HD       TRP 106  -7.576  12.305  -6.324
  768    HE1  TRP 106           1HE      TRP 106  -8.074  14.819  -6.416
  769    HE3  TRP 106           3HE      TRP 106  -3.809  14.043  -3.359
  770    HZ2  TRP 106           2HZ      TRP 106  -6.972  17.275  -5.405
  771    HZ3  TRP 106           3HZ      TRP 106  -3.547  16.469  -2.948
  772    HH2  TRP 106           HH       TRP 106  -5.123  18.088  -3.966
  Start of MODEL    7
    1   1H    SER   1          1HT       SER   1  11.860  -9.075   3.281
    2   2H    SER   1          2HT       SER   1  10.862  -8.880   4.648
    3   3H    SER   1          3HT       SER   1  10.808  -7.747   3.377
    4    HA   SER   1           HA       SER   1  10.096 -10.601   3.031
    5   1HB   SER   1          2HB       SER   1   7.922  -8.578   3.048
    6   2HB   SER   1          1HB       SER   1   7.964 -10.183   3.755
    7    HG   SER   1           HG       SER   1   9.368  -9.252   5.383
    8    H    LYS   2           H        LYS   2   8.815 -10.832   0.956
    9    HA   LYS   2           HA       LYS   2   9.969  -9.078  -1.102
   10   1HB   LYS   2          2HB       LYS   2   8.628 -11.735  -0.967
   11   2HB   LYS   2          1HB       LYS   2   8.273 -10.811  -2.419
   12   1HG   LYS   2          2HG       LYS   2  11.125 -11.133  -1.472
   13   2HG   LYS   2          1HG       LYS   2  10.349 -12.414  -2.398
   14   1HD   LYS   2          2HD       LYS   2   9.809 -10.731  -4.174
   15   2HD   LYS   2          1HD       LYS   2  10.733  -9.534  -3.267
   16   1HE   LYS   2          2HE       LYS   2  12.757 -10.848  -3.474
   17   2HE   LYS   2          1HE       LYS   2  11.865 -12.178  -4.213
   18   1HZ   LYS   2          1HZ       LYS   2  11.329  -9.817  -5.635
   19   2HZ   LYS   2          2HZ       LYS   2  12.105 -11.225  -6.177
   20   3HZ   LYS   2          3HZ       LYS   2  13.010  -9.972  -5.473
   21    H    VAL   3           H        VAL   3   8.839  -7.293  -1.794
   22    HA   VAL   3           HA       VAL   3   5.868  -7.262  -1.364
   23    HB   VAL   3           HB       VAL   3   8.103  -5.318  -0.912
   24   1HG1  VAL   3          1HG1      VAL   3   5.349  -4.534  -1.838
   25   2HG1  VAL   3          2HG1      VAL   3   6.919  -3.967  -2.417
   26   3HG1  VAL   3          3HG1      VAL   3   6.331  -3.461  -0.834
   27   1HG2  VAL   3          1HG2      VAL   3   7.056  -6.527   0.944
   28   2HG2  VAL   3          2HG2      VAL   3   5.493  -5.862   0.500
   29   3HG2  VAL   3          3HG2      VAL   3   6.758  -4.799   1.086
   30    H    VAL   4           H        VAL   4   4.782  -7.154  -3.273
   31    HA   VAL   4           HA       VAL   4   6.272  -6.172  -5.699
   32    HB   VAL   4           HB       VAL   4   3.900  -7.989  -5.595
   33   1HG1  VAL   4          1HG1      VAL   4   5.808  -7.786  -7.896
   34   2HG1  VAL   4          2HG1      VAL   4   4.553  -6.563  -7.724
   35   3HG1  VAL   4          3HG1      VAL   4   4.114  -8.259  -7.899
   36   1HG2  VAL   4          1HG2      VAL   4   6.825  -8.659  -5.913
   37   2HG2  VAL   4          2HG2      VAL   4   5.500  -9.812  -6.063
   38   3HG2  VAL   4          3HG2      VAL   4   5.831  -9.042  -4.511
   39    H    TYR   5           H        TYR   5   5.513  -4.504  -6.682
   40    HA   TYR   5           HA       TYR   5   2.888  -3.298  -5.926
   41   1HB   TYR   5          2HB       TYR   5   5.449  -2.030  -6.932
   42   2HB   TYR   5          1HB       TYR   5   3.912  -1.170  -6.873
   43    HD1  TYR   5           1HD      TYR   5   6.794  -2.210  -4.981
   44    HD2  TYR   5           2HD      TYR   5   2.675  -1.041  -4.613
   45    HE1  TYR   5           1HE      TYR   5   7.151  -1.684  -2.582
   46    HE2  TYR   5           2HE      TYR   5   3.043  -0.516  -2.218
   47    HH   TYR   5           HH       TYR   5   6.248  -0.525  -0.802
   48    H    VAL   6           H        VAL   6   1.364  -3.586  -7.511
   49    HA   VAL   6           HA       VAL   6   2.315  -3.968 -10.330
   50    HB   VAL   6           HB       VAL   6  -0.508  -4.399  -9.344
   51   1HG1  VAL   6          1HG1      VAL   6  -0.210  -4.226 -11.762
   52   2HG1  VAL   6          2HG1      VAL   6  -0.577  -5.894 -11.323
   53   3HG1  VAL   6          3HG1      VAL   6   1.081  -5.427 -11.701
   54   1HG2  VAL   6          1HG2      VAL   6   0.141  -6.822  -9.217
   55   2HG2  VAL   6          2HG2      VAL   6   0.915  -5.829  -7.981
   56   3HG2  VAL   6          3HG2      VAL   6   1.825  -6.330  -9.415
   57    H    SER   7           H        SER   7   2.358  -2.142 -11.409
   58    HA   SER   7           HA       SER   7   0.975   0.226 -10.503
   59   1HB   SER   7          2HB       SER   7   2.148   1.373 -12.202
   60   2HB   SER   7          1HB       SER   7   3.236   0.074 -11.726
   61    HG   SER   7           HG       SER   7   1.379  -0.057 -13.874
   62    H    HIS   8           H        HIS   8  -0.057   1.553 -12.358
   63    HA   HIS   8           HA       HIS   8  -2.498   0.125 -13.119
   64   1HB   HIS   8          2HB       HIS   8  -2.535   2.668 -14.391
   65   2HB   HIS   8          1HB       HIS   8  -3.313   2.248 -12.876
   66    HD1  HIS   8           1HD      HIS   8  -0.995   2.047 -10.943
   67    HD2  HIS   8           2HD      HIS   8  -1.223   5.029 -13.856
   68    HE1  HIS   8           1HE      HIS   8   0.452   3.961 -10.128
   69    HE2  HIS   8           2HE      HIS   8   0.325   5.776 -11.890
   70    H    ASP   9           H        ASP   9   0.267   1.617 -14.758
   71    HA   ASP   9           HA       ASP   9  -0.575   0.976 -17.411
   72   1HB   ASP   9          2HB       ASP   9   2.044   1.078 -17.789
   73   2HB   ASP   9          1HB       ASP   9   1.159   2.542 -17.358
   74    H    GLY  10           H        GLY  10   0.278  -1.101 -14.882
   75   1HA   GLY  10          2HA       GLY  10   0.142  -3.495 -15.125
   76   2HA   GLY  10          1HA       GLY  10   0.645  -3.340 -16.811
   77    H    THR  11           H        THR  11   2.769  -1.332 -15.579
   78    HA   THR  11           HA       THR  11   4.880  -3.274 -15.551
   79    HB   THR  11           HB       THR  11   4.786  -0.606 -16.022
   80    HG1  THR  11           1HG      THR  11   6.492  -1.570 -16.789
   81   1HG2  THR  11          1HG2      THR  11   6.236  -0.829 -13.380
   82   2HG2  THR  11          2HG2      THR  11   4.625  -0.140 -13.556
   83   3HG2  THR  11          3HG2      THR  11   5.997   0.624 -14.352
   84    H    ARG  12           H        ARG  12   5.734  -4.353 -13.944
   85    HA   ARG  12           HA       ARG  12   4.649  -3.966 -11.170
   86   1HB   ARG  12          2HB       ARG  12   6.196  -6.315 -12.275
   87   2HB   ARG  12          1HB       ARG  12   5.320  -6.262 -10.756
   88   1HG   ARG  12          2HG       ARG  12   3.311  -6.708 -11.742
   89   2HG   ARG  12          1HG       ARG  12   3.589  -5.549 -13.030
   90   1HD   ARG  12          2HD       ARG  12   5.296  -7.866 -13.464
   91   2HD   ARG  12          1HD       ARG  12   3.631  -8.383 -13.242
   92    HE   ARG  12           HE       ARG  12   2.984  -7.036 -15.133
   93   1HH1  ARG  12          1HH2      ARG  12   6.417  -6.972 -14.507
   94   2HH1  ARG  12          2HH2      ARG  12   6.800  -6.447 -16.101
   95   1HH2  ARG  12          1HH1      ARG  12   3.516  -6.379 -17.186
   96   2HH2  ARG  12          2HH1      ARG  12   5.171  -6.111 -17.628
   97    H    ARG  13           H        ARG  13   5.980  -3.429  -9.471
   98    HA   ARG  13           HA       ARG  13   8.941  -3.526  -9.858
   99   1HB   ARG  13          2HB       ARG  13   8.007  -1.161 -10.042
  100   2HB   ARG  13          1HB       ARG  13   7.477  -1.337  -8.368
  101   1HG   ARG  13          2HG       ARG  13   9.834  -1.902  -7.745
  102   2HG   ARG  13          1HG       ARG  13  10.322  -1.542  -9.398
  103   1HD   ARG  13          2HD       ARG  13   8.748   0.568  -8.021
  104   2HD   ARG  13          1HD       ARG  13  10.375   0.309  -7.409
  105    HE   ARG  13           HE       ARG  13  11.249   1.013  -9.532
  106   1HH1  ARG  13          1HH2      ARG  13   7.798   0.738  -9.564
  107   2HH1  ARG  13          2HH2      ARG  13   7.592   1.897 -10.826
  108   1HH2  ARG  13          1HH1      ARG  13  10.973   2.560 -11.153
  109   2HH2  ARG  13          2HH1      ARG  13   9.378   2.939 -11.713
  110    H    GLU  14           H        GLU  14   9.814  -4.680  -8.209
  111    HA   GLU  14           HA       GLU  14   8.165  -5.113  -5.763
  112   1HB   GLU  14          2HB       GLU  14  10.282  -7.074  -6.599
  113   2HB   GLU  14          1HB       GLU  14   8.747  -7.361  -5.783
  114   1HG   GLU  14          2HG       GLU  14   8.261  -8.169  -7.917
  115   2HG   GLU  14          1HG       GLU  14   7.710  -6.501  -8.061
  116    H    LEU  15           H        LEU  15   9.140  -4.817  -3.756
  117    HA   LEU  15           HA       LEU  15  12.080  -4.189  -3.694
  118   1HB   LEU  15          2HB       LEU  15  10.446  -2.903  -1.566
  119   2HB   LEU  15          1HB       LEU  15  11.755  -2.233  -2.524
  120    HG   LEU  15           HG       LEU  15   8.950  -2.637  -3.449
  121   1HD1  LEU  15          1HD1      LEU  15   9.169  -0.966  -1.628
  122   2HD1  LEU  15          2HD1      LEU  15   8.786  -0.169  -3.140
  123   3HD1  LEU  15          3HD1      LEU  15  10.431  -0.141  -2.529
  124   1HD2  LEU  15          1HD2      LEU  15  11.163  -2.417  -5.055
  125   2HD2  LEU  15          2HD2      LEU  15  10.815  -0.710  -4.785
  126   3HD2  LEU  15          3HD2      LEU  15   9.591  -1.765  -5.491
  127    H    ASP  16           H        ASP  16  12.811  -4.171  -1.390
  128    HA   ASP  16           HA       ASP  16  11.706  -6.519   0.096
  129   1HB   ASP  16          2HB       ASP  16  14.471  -5.320  -0.195
  130   2HB   ASP  16          1HB       ASP  16  14.063  -6.236   1.241
  131    H    VAL  17           H        VAL  17  10.416  -5.742   1.772
  132    HA   VAL  17           HA       VAL  17  11.129  -3.098   3.017
  133    HB   VAL  17           HB       VAL  17   8.434  -4.533   3.064
  134   1HG1  VAL  17          1HG1      VAL  17   9.443  -1.865   3.979
  135   2HG1  VAL  17          2HG1      VAL  17   8.251  -2.945   4.710
  136   3HG1  VAL  17          3HG1      VAL  17   7.807  -1.956   3.332
  137   1HG2  VAL  17          1HG2      VAL  17   9.602  -2.513   1.126
  138   2HG2  VAL  17          2HG2      VAL  17   7.872  -2.792   1.275
  139   3HG2  VAL  17          3HG2      VAL  17   8.941  -4.092   0.762
  140    H    ALA  18           H        ALA  18  12.032  -3.325   4.977
  141    HA   ALA  18           HA       ALA  18  12.271  -5.887   6.245
  142   1HB   ALA  18          1HB       ALA  18  13.588  -4.794   7.875
  143   2HB   ALA  18          2HB       ALA  18  12.771  -3.251   7.626
  144   3HB   ALA  18          3HB       ALA  18  13.867  -3.876   6.395
  145    H    ASP  19           H        ASP  19  11.653  -6.345   8.450
  146    HA   ASP  19           HA       ASP  19   8.857  -6.190   8.904
  147   1HB   ASP  19          2HB       ASP  19   9.488  -6.952  11.239
  148   2HB   ASP  19          1HB       ASP  19  10.105  -7.961   9.935
  149    H    GLY  20           H        GLY  20   7.646  -4.816   9.983
  150   1HA   GLY  20          2HA       GLY  20   7.078  -3.017  11.476
  151   2HA   GLY  20          1HA       GLY  20   8.788  -2.787  11.777
  152    H    VAL  21           H        VAL  21   8.601  -2.800   8.411
  153    HA   VAL  21           HA       VAL  21   8.603   0.166   8.431
  154    HB   VAL  21           HB       VAL  21   9.278  -1.804   6.245
  155   1HG1  VAL  21          1HG1      VAL  21   9.515   1.182   6.419
  156   2HG1  VAL  21          2HG1      VAL  21   8.622   0.228   5.226
  157   3HG1  VAL  21          3HG1      VAL  21  10.385   0.214   5.227
  158   1HG2  VAL  21          1HG2      VAL  21  10.813  -1.742   8.292
  159   2HG2  VAL  21          2HG2      VAL  21  11.230  -0.107   7.776
  160   3HG2  VAL  21          3HG2      VAL  21  11.560  -1.483   6.712
  161    H    SER  22           H        SER  22   7.215   1.344   7.045
  162    HA   SER  22           HA       SER  22   4.682  -0.028   6.401
  163   1HB   SER  22          2HB       SER  22   3.717   2.088   6.351
  164   2HB   SER  22          1HB       SER  22   5.078   2.404   7.424
  165    HG   SER  22           HG       SER  22   6.245   3.000   5.465
  166    H    LEU  23           H        LEU  23   3.964  -0.416   4.288
  167    HA   LEU  23           HA       LEU  23   5.783  -0.786   2.179
  168   1HB   LEU  23          2HB       LEU  23   2.832  -0.149   2.183
  169   2HB   LEU  23          1HB       LEU  23   3.698  -0.466   0.688
  170    HG   LEU  23           HG       LEU  23   3.803  -2.405   3.005
  171   1HD1  LEU  23          1HD1      LEU  23   1.869  -2.410   0.673
  172   2HD1  LEU  23          2HD1      LEU  23   1.438  -2.032   2.343
  173   3HD1  LEU  23          3HD1      LEU  23   1.990  -3.652   1.922
  174   1HD2  LEU  23          1HD2      LEU  23   4.198  -4.014   1.083
  175   2HD2  LEU  23          2HD2      LEU  23   5.489  -2.849   1.327
  176   3HD2  LEU  23          3HD2      LEU  23   4.324  -2.616   0.026
  177    H    MET  24           H        MET  24   4.052   2.109   3.150
  178    HA   MET  24           HA       MET  24   4.683   3.698   0.853
  179   1HB   MET  24          2HB       MET  24   2.939   4.299   2.508
  180   2HB   MET  24          1HB       MET  24   4.193   4.538   3.714
  181   1HG   MET  24          2HG       MET  24   3.523   6.695   2.749
  182   2HG   MET  24          1HG       MET  24   5.188   6.331   2.309
  183   1HE   MET  24          1HE       MET  24   3.214   8.485   0.615
  184   2HE   MET  24          2HE       MET  24   4.182   8.143  -0.816
  185   3HE   MET  24          3HE       MET  24   4.948   8.175   0.766
  186    H    GLN  25           H        GLN  25   6.368   3.074   3.918
  187    HA   GLN  25           HA       GLN  25   8.408   5.043   3.627
  188   1HB   GLN  25          2HB       GLN  25   8.077   2.525   5.195
  189   2HB   GLN  25          1HB       GLN  25   9.733   3.082   4.982
  190   1HG   GLN  25          2HG       GLN  25   8.679   3.981   7.049
  191   2HG   GLN  25          1HG       GLN  25   9.152   5.259   5.936
  192   1HE2  GLN  25          1HE2      GLN  25   6.580   4.188   7.829
  193   2HE2  GLN  25          2HE2      GLN  25   5.320   5.006   7.043
  194    H    ALA  26           H        ALA  26   8.557   1.524   2.766
  195    HA   ALA  26           HA       ALA  26  11.092   1.824   1.416
  196   1HB   ALA  26          1HB       ALA  26  10.439  -0.387   0.354
  197   2HB   ALA  26          2HB       ALA  26   8.915  -0.261   1.236
  198   3HB   ALA  26          3HB       ALA  26  10.438  -0.360   2.120
  199    H    ALA  27           H        ALA  27   7.787   2.376   0.276
  200    HA   ALA  27           HA       ALA  27   8.339   2.207  -2.524
  201   1HB   ALA  27          1HB       ALA  27   6.255   3.504  -0.798
  202   2HB   ALA  27          2HB       ALA  27   6.057   2.232  -1.999
  203   3HB   ALA  27          3HB       ALA  27   6.303   3.900  -2.512
  204    H    VAL  28           H        VAL  28   8.084   5.068  -0.381
  205    HA   VAL  28           HA       VAL  28   8.902   7.006  -2.278
  206    HB   VAL  28           HB       VAL  28   9.242   6.918   0.727
  207   1HG1  VAL  28          1HG1      VAL  28   9.484   9.447   0.442
  208   2HG1  VAL  28          2HG1      VAL  28   9.798   9.130  -1.260
  209   3HG1  VAL  28          3HG1      VAL  28  10.883   8.484  -0.027
  210   1HG2  VAL  28          1HG2      VAL  28   7.328   8.500  -1.002
  211   2HG2  VAL  28          2HG2      VAL  28   7.283   8.325   0.741
  212   3HG2  VAL  28          3HG2      VAL  28   6.924   6.942  -0.281
  213    H    SER  29           H        SER  29  10.737   4.582  -0.652
  214    HA   SER  29           HA       SER  29  13.321   5.919  -1.080
  215   1HB   SER  29          2HB       SER  29  13.855   4.529   0.640
  216   2HB   SER  29          1HB       SER  29  12.265   3.795   0.508
  217    HG   SER  29           HG       SER  29  13.090   2.177  -0.581
  218    H    ASN  30           H        ASN  30  11.197   3.803  -2.744
  219    HA   ASN  30           HA       ASN  30  13.342   3.060  -4.699
  220   1HB   ASN  30          2HB       ASN  30  10.719   1.753  -3.959
  221   2HB   ASN  30          1HB       ASN  30  11.599   1.360  -5.430
  222   1HD2  ASN  30          1HD2      ASN  30  12.187   1.643  -1.885
  223   2HD2  ASN  30          2HD2      ASN  30  13.295   0.357  -1.820
  224    H    GLY  31           H        GLY  31  11.342   5.504  -4.239
  225   1HA   GLY  31          2HA       GLY  31  10.378   7.030  -5.725
  226   2HA   GLY  31          1HA       GLY  31  11.185   6.138  -7.011
  227    H    ILE  32           H        ILE  32   8.491   5.121  -4.807
  228    HA   ILE  32           HA       ILE  32   6.980   4.459  -7.314
  229    HB   ILE  32           HB       ILE  32   6.480   3.193  -4.652
  230   1HG1  ILE  32          2HG1      ILE  32   8.554   2.489  -6.731
  231   2HG1  ILE  32          1HG1      ILE  32   8.809   2.785  -5.011
  232   1HG2  ILE  32          1HG2      ILE  32   6.168   2.000  -7.397
  233   2HG2  ILE  32          2HG2      ILE  32   4.910   3.030  -6.708
  234   3HG2  ILE  32          3HG2      ILE  32   5.371   1.536  -5.892
  235   1HD1  ILE  32          1HD1      ILE  32   7.371   0.427  -6.268
  236   2HD1  ILE  32          2HD1      ILE  32   7.314   0.798  -4.552
  237   3HD1  ILE  32          3HD1      ILE  32   8.852   0.410  -5.318
  238    H    TYR  33           H        TYR  33   6.109   5.169  -3.890
  239    HA   TYR  33           HA       TYR  33   3.582   6.349  -4.901
  240   1HB   TYR  33          2HB       TYR  33   4.491   5.334  -2.224
  241   2HB   TYR  33          1HB       TYR  33   3.197   6.532  -2.291
  242    HD1  TYR  33           1HD      TYR  33   4.183   3.097  -3.149
  243    HD2  TYR  33           2HD      TYR  33   1.080   6.052  -3.405
  244    HE1  TYR  33           1HE      TYR  33   2.579   1.351  -3.877
  245    HE2  TYR  33           2HE      TYR  33  -0.525   4.310  -4.126
  246    HH   TYR  33           HH       TYR  33   0.485   0.905  -4.442
  247    H    ASP  34           H        ASP  34   6.590   7.550  -4.661
  248    HA   ASP  34           HA       ASP  34   6.406   9.747  -2.933
  249   1HB   ASP  34          2HB       ASP  34   7.946  10.850  -4.707
  250   2HB   ASP  34          1HB       ASP  34   8.508   9.359  -3.952
  251    H    ILE  35           H        ILE  35   6.552  10.726  -6.193
  252    HA   ILE  35           HA       ILE  35   5.401  12.590  -7.174
  253    HB   ILE  35           HB       ILE  35   4.340  10.795  -8.297
  254   1HG1  ILE  35          2HG1      ILE  35   1.953  12.219  -7.114
  255   2HG1  ILE  35          1HG1      ILE  35   3.081  13.048  -8.187
  256   1HG2  ILE  35          1HG2      ILE  35   4.000   9.262  -6.458
  257   2HG2  ILE  35          2HG2      ILE  35   2.462   9.498  -7.282
  258   3HG2  ILE  35          3HG2      ILE  35   2.772  10.308  -5.749
  259   1HD1  ILE  35          1HD1      ILE  35   1.099  12.057  -9.370
  260   2HD1  ILE  35          2HD1      ILE  35   1.673  10.460  -8.890
  261   3HD1  ILE  35          3HD1      ILE  35   2.650  11.463  -9.961
  262    H    VAL  36           H        VAL  36   5.517  14.168  -5.528
  263    HA   VAL  36           HA       VAL  36   4.837  15.312  -3.560
  264    HB   VAL  36           HB       VAL  36   3.885  16.443  -5.583
  265   1HG1  VAL  36          1HG1      VAL  36   1.137  15.534  -4.776
  266   2HG1  VAL  36          2HG1      VAL  36   2.088  14.481  -5.815
  267   3HG1  VAL  36          3HG1      VAL  36   1.715  16.115  -6.330
  268   1HG2  VAL  36          1HG2      VAL  36   2.234  16.672  -3.051
  269   2HG2  VAL  36          2HG2      VAL  36   2.447  17.923  -4.274
  270   3HG2  VAL  36          3HG2      VAL  36   3.819  17.408  -3.296
  271    H    GLY  37           H        GLY  37   4.631  13.820  -1.876
  272   1HA   GLY  37          2HA       GLY  37   2.177  12.242  -1.577
  273   2HA   GLY  37          1HA       GLY  37   3.523  12.280  -0.448
  274    H    ASP  38           H        ASP  38   0.472  12.705  -0.208
  275    HA   ASP  38           HA       ASP  38   0.103  15.444   0.612
  276   1HB   ASP  38          2HB       ASP  38  -1.438  12.892   0.825
  277   2HB   ASP  38          1HB       ASP  38  -1.884  14.182   1.942
  278    H    CYS  39           H        CYS  39  -0.058  12.587   2.793
  279    HA   CYS  39           HA       CYS  39   1.045  14.322   4.946
  280   1HB   CYS  39          2HB       CYS  39   0.136  12.822   6.504
  281   2HB   CYS  39          1HB       CYS  39  -1.051  12.822   5.202
  282    H    GLY  40           H        GLY  40   2.279  12.242   2.662
  283   1HA   GLY  40          2HA       GLY  40   4.470  11.406   2.446
  284   2HA   GLY  40          1HA       GLY  40   4.846  12.134   4.001
  285    H    GLY  41           H        GLY  41   2.128  10.258   4.439
  286   1HA   GLY  41          2HA       GLY  41   1.949   7.839   4.782
  287   2HA   GLY  41          1HA       GLY  41   3.691   7.766   5.018
  288    H    SER  42           H        SER  42   1.804  10.308   6.507
  289    HA   SER  42           HA       SER  42   2.472   9.181   9.183
  290   1HB   SER  42          2HB       SER  42   3.059  11.573   8.558
  291   2HB   SER  42          1HB       SER  42   1.330  11.909   8.528
  292    HG   SER  42           HG       SER  42   2.874  11.970  10.602
  293    H    ALA  43           H        ALA  43   0.156   8.465   7.234
  294    HA   ALA  43           HA       ALA  43  -2.085   7.819   7.458
  295   1HB   ALA  43          1HB       ALA  43  -1.752   8.203  10.434
  296   2HB   ALA  43          2HB       ALA  43  -1.003   6.846   9.594
  297   3HB   ALA  43          3HB       ALA  43  -2.757   7.031   9.588
  298    H    SER  44           H        SER  44  -2.071  10.326   6.644
  299    HA   SER  44           HA       SER  44  -4.244  11.593   8.213
  300   1HB   SER  44          2HB       SER  44  -1.840  12.499   8.805
  301   2HB   SER  44          1HB       SER  44  -2.000  13.366   7.288
  302    HG   SER  44           HG       SER  44  -3.503  14.586   8.143
  303    H    CYS  45           H        CYS  45  -3.651  10.305   5.437
  304    HA   CYS  45           HA       CYS  45  -5.309  12.234   3.957
  305   1HB   CYS  45          2HB       CYS  45  -3.823  12.725   2.219
  306   2HB   CYS  45          1HB       CYS  45  -2.769  12.785   3.626
  307    H    ALA  46           H        ALA  46  -5.162  11.160   1.455
  308    HA   ALA  46           HA       ALA  46  -5.691   8.230   1.790
  309   1HB   ALA  46          1HB       ALA  46  -7.582   8.834  -0.011
  310   2HB   ALA  46          2HB       ALA  46  -7.501  10.399   0.785
  311   3HB   ALA  46          3HB       ALA  46  -7.899   8.953   1.716
  312    H    THR  47           H        THR  47  -3.665  10.297   0.446
  313    HA   THR  47           HA       THR  47  -3.767   9.789  -2.367
  314    HB   THR  47           HB       THR  47  -1.286  10.372  -2.251
  315    HG1  THR  47           1HG      THR  47  -0.572   9.907  -0.310
  316   1HG2  THR  47          1HG2      THR  47  -1.705  12.690  -1.764
  317   2HG2  THR  47          2HG2      THR  47  -3.102  12.284  -0.761
  318   3HG2  THR  47          3HG2      THR  47  -3.164  12.043  -2.510
  319    H    CYS  48           H        CYS  48  -2.616   7.915   0.326
  320    HA   CYS  48           HA       CYS  48  -1.069   6.065  -1.332
  321   1HB   CYS  48          2HB       CYS  48  -0.900   4.773   0.824
  322   2HB   CYS  48          1HB       CYS  48  -0.292   6.420   0.911
  323    H    HIS  49           H        HIS  49  -3.822   6.341  -2.120
  324    HA   HIS  49           HA       HIS  49  -5.432   4.126  -1.158
  325   1HB   HIS  49          2HB       HIS  49  -6.545   5.988  -2.178
  326   2HB   HIS  49          1HB       HIS  49  -5.494   5.948  -3.557
  327    HD1  HIS  49           1HD      HIS  49  -7.947   3.409  -1.994
  328    HD2  HIS  49           2HD      HIS  49  -6.837   4.960  -5.678
  329    HE1  HIS  49           1HE      HIS  49  -9.423   2.277  -3.756
  330    HE2  HIS  49           2HE      HIS  49  -8.696   3.185  -5.981
  331    H    VAL  50           H        VAL  50  -4.806   1.972  -1.548
  332    HA   VAL  50           HA       VAL  50  -4.050   1.264  -4.329
  333    HB   VAL  50           HB       VAL  50  -1.979   0.359  -3.868
  334   1HG1  VAL  50          1HG1      VAL  50  -0.736   1.726  -2.298
  335   2HG1  VAL  50          2HG1      VAL  50  -2.214   2.183  -1.472
  336   3HG1  VAL  50          3HG1      VAL  50  -1.924   2.742  -3.115
  337   1HG2  VAL  50          1HG2      VAL  50  -3.044  -0.233  -1.085
  338   2HG2  VAL  50          2HG2      VAL  50  -1.352  -0.472  -1.523
  339   3HG2  VAL  50          3HG2      VAL  50  -2.611  -1.386  -2.349
  340    H    TYR  51           H        TYR  51  -3.922  -1.266  -4.427
  341    HA   TYR  51           HA       TYR  51  -6.134  -2.390  -2.759
  342   1HB   TYR  51          2HB       TYR  51  -5.417  -2.788  -5.656
  343   2HB   TYR  51          1HB       TYR  51  -6.631  -3.724  -4.809
  344    HD1  TYR  51           1HD      TYR  51  -8.614  -2.368  -3.670
  345    HD2  TYR  51           2HD      TYR  51  -5.884  -0.687  -6.554
  346    HE1  TYR  51           1HE      TYR  51 -10.168  -0.490  -4.086
  347    HE2  TYR  51           2HE      TYR  51  -7.469   1.142  -6.944
  348    HH   TYR  51           HH       TYR  51 -10.025   1.414  -6.752
  349    H    VAL  52           H        VAL  52  -5.277  -3.747  -1.432
  350    HA   VAL  52           HA       VAL  52  -2.778  -5.242  -2.003
  351    HB   VAL  52           HB       VAL  52  -4.468  -5.373   0.498
  352   1HG1  VAL  52          1HG1      VAL  52  -2.221  -6.112   1.456
  353   2HG1  VAL  52          2HG1      VAL  52  -1.673  -6.262  -0.209
  354   3HG1  VAL  52          3HG1      VAL  52  -3.005  -7.254   0.362
  355   1HG2  VAL  52          1HG2      VAL  52  -3.446  -3.055  -0.181
  356   2HG2  VAL  52          2HG2      VAL  52  -1.910  -3.790   0.259
  357   3HG2  VAL  52          3HG2      VAL  52  -3.199  -3.645   1.452
  358    H    ASN  53           H        ASN  53  -2.774  -7.363  -2.618
  359    HA   ASN  53           HA       ASN  53  -5.088  -8.716  -3.462
  360   1HB   ASN  53          2HB       ASN  53  -3.646 -10.832  -3.019
  361   2HB   ASN  53          1HB       ASN  53  -3.065  -9.658  -4.192
  362   1HD2  ASN  53          1HD2      ASN  53  -2.930  -8.508  -0.959
  363   2HD2  ASN  53          2HD2      ASN  53  -1.281  -8.786  -0.687
  364    H    GLU  54           H        GLU  54  -6.796  -9.376  -2.267
  365    HA   GLU  54           HA       GLU  54  -7.106  -9.191   0.461
  366   1HB   GLU  54          2HB       GLU  54  -8.931 -10.916   0.209
  367   2HB   GLU  54          1HB       GLU  54  -9.011  -9.582  -0.935
  368   1HG   GLU  54          2HG       GLU  54  -7.995 -10.931  -2.665
  369   2HG   GLU  54          1HG       GLU  54  -7.680 -12.239  -1.527
  370    H    ALA  55           H        ALA  55  -4.820 -11.222  -0.821
  371    HA   ALA  55           HA       ALA  55  -5.234 -13.464   1.032
  372   1HB   ALA  55          1HB       ALA  55  -4.363 -14.063  -1.112
  373   2HB   ALA  55          2HB       ALA  55  -3.031 -14.242   0.025
  374   3HB   ALA  55          3HB       ALA  55  -3.107 -12.829  -1.019
  375    H    PHE  56           H        PHE  56  -3.519 -10.376   1.150
  376    HA   PHE  56           HA       PHE  56  -1.897 -11.350   3.470
  377   1HB   PHE  56          2HB       PHE  56  -1.481  -9.185   1.404
  378   2HB   PHE  56          1HB       PHE  56  -0.495  -9.341   2.855
  379    HD1  PHE  56           1HD      PHE  56  -1.524 -11.068  -0.262
  380    HD2  PHE  56           2HD      PHE  56   1.152 -11.044   3.042
  381    HE1  PHE  56           1HE      PHE  56  -0.163 -12.830  -1.349
  382    HE2  PHE  56           2HE      PHE  56   2.519 -12.800   2.011
  383    HZ   PHE  56           HZ       PHE  56   1.863 -13.699  -0.223
  384    H    THR  57           H        THR  57  -4.547  -9.564   2.455
  385    HA   THR  57           HA       THR  57  -4.453  -7.290   4.236
  386    HB   THR  57           HB       THR  57  -6.960  -7.249   3.838
  387    HG1  THR  57           1HG      THR  57  -6.289  -9.482   2.226
  388   1HG2  THR  57          1HG2      THR  57  -4.983  -7.375   1.570
  389   2HG2  THR  57          2HG2      THR  57  -5.676  -5.953   2.353
  390   3HG2  THR  57          3HG2      THR  57  -6.674  -6.953   1.298
  391    H    ASP  58           H        ASP  58  -5.927 -10.522   4.486
  392    HA   ASP  58           HA       ASP  58  -6.979  -9.952   7.168
  393   1HB   ASP  58          2HB       ASP  58  -7.784 -12.257   7.101
  394   2HB   ASP  58          1HB       ASP  58  -8.142 -11.490   5.553
  395    H    LYS  59           H        LYS  59  -4.014 -10.616   5.934
  396    HA   LYS  59           HA       LYS  59  -3.091 -12.252   8.241
  397   1HB   LYS  59          2HB       LYS  59  -1.378 -11.287   5.951
  398   2HB   LYS  59          1HB       LYS  59  -1.195 -12.727   6.940
  399   1HG   LYS  59          2HG       LYS  59  -3.410 -12.256   4.912
  400   2HG   LYS  59          1HG       LYS  59  -2.007 -13.305   4.682
  401   1HD   LYS  59          2HD       LYS  59  -4.176 -13.658   6.761
  402   2HD   LYS  59          1HD       LYS  59  -3.931 -14.643   5.326
  403   1HE   LYS  59          2HE       LYS  59  -1.505 -14.977   6.352
  404   2HE   LYS  59          1HE       LYS  59  -2.319 -14.556   7.853
  405   1HZ   LYS  59          1HZ       LYS  59  -2.345 -16.934   7.476
  406   2HZ   LYS  59          2HZ       LYS  59  -3.137 -16.711   5.987
  407   3HZ   LYS  59          3HZ       LYS  59  -3.922 -16.309   7.439
  408    H    VAL  60           H        VAL  60  -2.457  -9.206   6.550
  409    HA   VAL  60           HA       VAL  60  -0.629  -8.291   8.629
  410    HB   VAL  60           HB       VAL  60  -1.445  -7.465   5.969
  411   1HG1  VAL  60          1HG1      VAL  60  -1.092  -4.988   6.292
  412   2HG1  VAL  60          2HG1      VAL  60  -1.389  -5.238   7.998
  413   3HG1  VAL  60          3HG1      VAL  60  -2.644  -5.617   6.826
  414   1HG2  VAL  60          1HG2      VAL  60   0.997  -7.138   7.668
  415   2HG2  VAL  60          2HG2      VAL  60   0.814  -6.103   6.267
  416   3HG2  VAL  60          3HG2      VAL  60   0.820  -7.839   6.063
  417    HA   PRO  61           HA       PRO  61  -3.377  -6.789  11.684
  418   1HB   PRO  61          2HB       PRO  61  -2.481  -4.048  11.798
  419   2HB   PRO  61          1HB       PRO  61  -2.041  -5.390  12.866
  420   1HG   PRO  61          2HG       PRO  61  -0.564  -4.251  10.588
  421   2HG   PRO  61          1HG       PRO  61   0.037  -5.186  11.968
  422   1HD   PRO  61          2HD       PRO  61  -0.100  -6.214   9.456
  423   2HD   PRO  61          1HD       PRO  61  -0.282  -7.223  10.875
  424    H    ALA  62           H        ALA  62  -5.471  -6.556  11.214
  425    HA   ALA  62           HA       ALA  62  -6.738  -5.394   9.130
  426   1HB   ALA  62          1HB       ALA  62  -7.987  -6.727  10.665
  427   2HB   ALA  62          2HB       ALA  62  -8.711  -5.120  10.675
  428   3HB   ALA  62          3HB       ALA  62  -7.648  -5.613  11.996
  429    H    ALA  63           H        ALA  63  -7.507  -3.492   8.616
  430    HA   ALA  63           HA       ALA  63  -6.175  -1.108   9.514
  431   1HB   ALA  63          1HB       ALA  63  -6.842  -1.116   7.254
  432   2HB   ALA  63          2HB       ALA  63  -7.982  -0.012   8.013
  433   3HB   ALA  63          3HB       ALA  63  -8.471  -1.661   7.641
  434    H    ASN  64           H        ASN  64  -6.775   0.374  10.966
  435    HA   ASN  64           HA       ASN  64  -9.062  -0.195  12.728
  436   1HB   ASN  64          2HB       ASN  64  -8.218   2.092  13.799
  437   2HB   ASN  64          1HB       ASN  64  -7.315   0.597  14.028
  438   1HD2  ASN  64          1HD2      ASN  64  -6.742   3.739  13.417
  439   2HD2  ASN  64          2HD2      ASN  64  -5.388   3.623  12.402
  440    H    GLU  65           H        GLU  65 -10.478   1.681  13.435
  441    HA   GLU  65           HA       GLU  65 -12.196   2.437  11.334
  442   1HB   GLU  65          2HB       GLU  65 -13.326   3.830  12.972
  443   2HB   GLU  65          1HB       GLU  65 -12.811   2.330  13.743
  444   1HG   GLU  65          2HG       GLU  65 -10.692   3.605  14.438
  445   2HG   GLU  65          1HG       GLU  65 -11.557   5.069  13.971
  446    H    ARG  66           H        ARG  66  -9.208   4.031  12.213
  447    HA   ARG  66           HA       ARG  66 -10.074   6.638  11.284
  448   1HB   ARG  66          2HB       ARG  66  -7.371   5.394  11.846
  449   2HB   ARG  66          1HB       ARG  66  -7.612   7.095  11.466
  450   1HG   ARG  66          2HG       ARG  66  -8.826   7.504  13.453
  451   2HG   ARG  66          1HG       ARG  66  -9.159   5.796  13.706
  452   1HD   ARG  66          2HD       ARG  66  -7.424   5.827  15.182
  453   2HD   ARG  66          1HD       ARG  66  -6.364   5.926  13.788
  454    HE   ARG  66           HE       ARG  66  -7.423   8.380  15.132
  455   1HH1  ARG  66          1HH2      ARG  66  -4.801   6.590  13.678
  456   2HH1  ARG  66          2HH2      ARG  66  -3.635   7.809  14.039
  457   1HH2  ARG  66          1HH1      ARG  66  -5.876   9.905  15.632
  458   2HH2  ARG  66          2HH1      ARG  66  -4.230   9.673  15.142
  459    H    GLU  67           H        GLU  67  -8.348   3.850   9.969
  460    HA   GLU  67           HA       GLU  67  -7.580   5.007   7.480
  461   1HB   GLU  67          2HB       GLU  67  -7.952   2.222   8.534
  462   2HB   GLU  67          1HB       GLU  67  -7.469   2.500   6.861
  463   1HG   GLU  67          2HG       GLU  67  -5.513   2.173   8.364
  464   2HG   GLU  67          1HG       GLU  67  -5.516   3.778   7.627
  465    H    ILE  68           H        ILE  68 -10.371   3.066   8.482
  466    HA   ILE  68           HA       ILE  68 -11.580   2.758   5.918
  467    HB   ILE  68           HB       ILE  68 -12.632   2.709   8.747
  468   1HG1  ILE  68          2HG1      ILE  68 -12.850   0.363   8.377
  469   2HG1  ILE  68          1HG1      ILE  68 -12.684   0.538   6.636
  470   1HG2  ILE  68          1HG2      ILE  68 -14.540   3.548   7.589
  471   2HG2  ILE  68          2HG2      ILE  68 -14.789   1.805   7.683
  472   3HG2  ILE  68          3HG2      ILE  68 -14.226   2.538   6.177
  473   1HD1  ILE  68          1HD1      ILE  68 -10.475   1.265   8.559
  474   2HD1  ILE  68          2HD1      ILE  68 -10.348   1.036   6.818
  475   3HD1  ILE  68          3HD1      ILE  68 -10.636  -0.345   7.874
  476    H    GLY  69           H        GLY  69 -11.636   5.463   8.179
  477   1HA   GLY  69          2HA       GLY  69 -13.842   6.805   6.818
  478   2HA   GLY  69          1HA       GLY  69 -12.822   7.518   8.060
  479    H    MET  70           H        MET  70 -10.324   6.974   6.585
  480    HA   MET  70           HA       MET  70 -10.454   9.290   4.752
  481   1HB   MET  70          2HB       MET  70  -7.975   8.825   4.470
  482   2HB   MET  70          1HB       MET  70  -8.472   9.206   6.118
  483   1HG   MET  70          2HG       MET  70  -8.607   6.779   6.598
  484   2HG   MET  70          1HG       MET  70  -7.997   6.439   4.981
  485   1HE   MET  70          1HE       MET  70  -6.745   6.801   8.687
  486   2HE   MET  70          2HE       MET  70  -7.660   8.220   8.179
  487   3HE   MET  70          3HE       MET  70  -5.945   8.373   8.548
  488    H    LEU  71           H        LEU  71 -10.162   5.798   4.679
  489    HA   LEU  71           HA       LEU  71  -9.476   5.512   1.920
  490   1HB   LEU  71          2HB       LEU  71 -10.669   3.776   4.036
  491   2HB   LEU  71          1HB       LEU  71 -10.891   3.247   2.379
  492    HG   LEU  71           HG       LEU  71  -8.157   4.050   3.377
  493   1HD1  LEU  71          1HD1      LEU  71  -9.556   1.384   3.691
  494   2HD1  LEU  71          2HD1      LEU  71  -8.826   2.372   4.960
  495   3HD1  LEU  71          3HD1      LEU  71  -7.804   1.563   3.771
  496   1HD2  LEU  71          1HD2      LEU  71  -8.732   3.623   0.874
  497   2HD2  LEU  71          2HD2      LEU  71  -8.865   1.926   1.336
  498   3HD2  LEU  71          3HD2      LEU  71  -7.340   2.777   1.537
  499    H    GLU  72           H        GLU  72 -12.500   6.201   3.570
  500    HA   GLU  72           HA       GLU  72 -14.154   5.705   1.224
  501   1HB   GLU  72          2HB       GLU  72 -15.248   5.528   3.348
  502   2HB   GLU  72          1HB       GLU  72 -14.588   7.065   3.903
  503   1HG   GLU  72          2HG       GLU  72 -17.048   7.080   3.199
  504   2HG   GLU  72          1HG       GLU  72 -16.031   8.310   2.456
  505    H    CYS  73           H        CYS  73 -11.876   7.909   1.991
  506    HA   CYS  73           HA       CYS  73 -13.148  10.166   0.474
  507   1HB   CYS  73          2HB       CYS  73 -11.594  10.071   2.880
  508   2HB   CYS  73          1HB       CYS  73 -10.640  10.940   1.683
  509    HG   CYS  73           HG       CYS  73 -12.152  12.763   2.627
  510    H    VAL  74           H        VAL  74 -11.480   7.581  -0.478
  511    HA   VAL  74           HA       VAL  74  -9.186   8.800  -1.760
  512    HB   VAL  74           HB       VAL  74  -8.989   6.660  -2.947
  513   1HG1  VAL  74          1HG1      VAL  74  -9.004   5.177  -0.884
  514   2HG1  VAL  74          2HG1      VAL  74  -9.738   6.532  -0.032
  515   3HG1  VAL  74          3HG1      VAL  74  -8.127   6.693  -0.698
  516   1HG2  VAL  74          1HG2      VAL  74 -11.447   6.319  -3.330
  517   2HG2  VAL  74          2HG2      VAL  74 -11.623   5.973  -1.610
  518   3HG2  VAL  74          3HG2      VAL  74 -10.658   4.907  -2.629
  519    H    THR  75           H        THR  75  -8.976   8.786  -4.182
  520    HA   THR  75           HA       THR  75 -11.307  10.165  -5.336
  521    HB   THR  75           HB       THR  75  -8.589   9.593  -6.541
  522    HG1  THR  75           1HG      THR  75  -9.516  11.986  -5.361
  523   1HG2  THR  75          1HG2      THR  75 -10.242  10.156  -8.226
  524   2HG2  THR  75          2HG2      THR  75  -9.207  11.559  -7.965
  525   3HG2  THR  75          3HG2      THR  75 -10.819  11.510  -7.260
  526    H    ALA  76           H        ALA  76  -9.825   6.965  -5.580
  527    HA   ALA  76           HA       ALA  76 -11.372   6.421  -8.067
  528   1HB   ALA  76          1HB       ALA  76  -9.748   4.228  -6.918
  529   2HB   ALA  76          2HB       ALA  76  -8.820   5.679  -7.273
  530   3HB   ALA  76          3HB       ALA  76  -9.744   4.890  -8.556
  531    H    GLU  77           H        GLU  77 -12.124   3.895  -7.940
  532    HA   GLU  77           HA       GLU  77 -14.330   3.883  -6.109
  533   1HB   GLU  77          2HB       GLU  77 -15.048   2.589  -7.835
  534   2HB   GLU  77          1HB       GLU  77 -13.411   2.489  -8.445
  535   1HG   GLU  77          2HG       GLU  77 -14.309   0.246  -8.087
  536   2HG   GLU  77          1HG       GLU  77 -12.996   0.527  -6.960
  537    H    LEU  78           H        LEU  78 -14.445   2.979  -4.080
  538    HA   LEU  78           HA       LEU  78 -12.007   1.653  -3.049
  539   1HB   LEU  78          2HB       LEU  78 -13.571   3.372  -1.774
  540   2HB   LEU  78          1HB       LEU  78 -14.507   1.928  -1.397
  541    HG   LEU  78           HG       LEU  78 -12.230   0.890  -0.695
  542   1HD1  LEU  78          1HD1      LEU  78 -11.547   3.811  -0.818
  543   2HD1  LEU  78          2HD1      LEU  78 -10.651   2.466  -1.498
  544   3HD1  LEU  78          3HD1      LEU  78 -10.703   2.700   0.217
  545   1HD2  LEU  78          1HD2      LEU  78 -13.345   3.148   0.973
  546   2HD2  LEU  78          2HD2      LEU  78 -12.471   1.730   1.553
  547   3HD2  LEU  78          3HD2      LEU  78 -14.075   1.547   0.856
  548    H    LYS  79           H        LYS  79 -11.832  -0.328  -2.287
  549    HA   LYS  79           HA       LYS  79 -13.802  -2.320  -3.301
  550   1HB   LYS  79          2HB       LYS  79 -10.849  -2.210  -2.780
  551   2HB   LYS  79          1HB       LYS  79 -11.635  -3.780  -2.876
  552   1HG   LYS  79          2HG       LYS  79 -11.991  -1.725  -5.051
  553   2HG   LYS  79          1HG       LYS  79 -10.590  -2.782  -5.029
  554   1HD   LYS  79          2HD       LYS  79 -12.119  -4.757  -4.952
  555   2HD   LYS  79          1HD       LYS  79 -13.489  -3.664  -5.121
  556   1HE   LYS  79          2HE       LYS  79 -11.223  -4.043  -7.095
  557   2HE   LYS  79          1HE       LYS  79 -12.908  -4.513  -7.320
  558   1HZ   LYS  79          1HZ       LYS  79 -13.406  -2.061  -6.912
  559   2HZ   LYS  79          2HZ       LYS  79 -12.732  -2.485  -8.412
  560   3HZ   LYS  79          3HZ       LYS  79 -11.757  -1.795  -7.204
  561    HA   PRO  80           HA       PRO  80 -14.726  -3.616   0.855
  562   1HB   PRO  80          2HB       PRO  80 -14.448  -6.400   0.616
  563   2HB   PRO  80          1HB       PRO  80 -15.904  -5.488   0.171
  564   1HG   PRO  80          2HG       PRO  80 -13.698  -6.486  -1.572
  565   2HG   PRO  80          1HG       PRO  80 -15.443  -6.429  -1.879
  566   1HD   PRO  80          2HD       PRO  80 -13.776  -4.625  -2.982
  567   2HD   PRO  80          1HD       PRO  80 -15.404  -4.158  -2.442
  568    H    ASN  81           H        ASN  81 -11.909  -4.930  -0.787
  569    HA   ASN  81           HA       ASN  81 -10.436  -5.155   1.807
  570   1HB   ASN  81          2HB       ASN  81  -8.909  -6.646   0.637
  571   2HB   ASN  81          1HB       ASN  81 -10.561  -7.209   0.393
  572   1HD2  ASN  81          1HD2      ASN  81  -7.754  -5.817  -1.201
  573   2HD2  ASN  81          2HD2      ASN  81  -8.376  -5.911  -2.784
  574    H    SER  82           H        SER  82 -10.876  -2.610   0.103
  575    HA   SER  82           HA       SER  82  -8.326  -1.948  -1.078
  576   1HB   SER  82          2HB       SER  82 -10.866  -0.778  -0.838
  577   2HB   SER  82          1HB       SER  82  -9.747   0.361  -0.096
  578    HG   SER  82           HG       SER  82  -8.556   0.374  -1.944
  579    H    ARG  83           H        ARG  83  -6.653  -0.751  -0.138
  580    HA   ARG  83           HA       ARG  83  -6.770  -0.305   2.818
  581   1HB   ARG  83          2HB       ARG  83  -4.975  -2.149   1.289
  582   2HB   ARG  83          1HB       ARG  83  -4.288  -1.329   2.687
  583   1HG   ARG  83          2HG       ARG  83  -6.939  -2.736   2.942
  584   2HG   ARG  83          1HG       ARG  83  -5.449  -3.674   2.986
  585   1HD   ARG  83          2HD       ARG  83  -4.636  -2.409   4.892
  586   2HD   ARG  83          1HD       ARG  83  -5.977  -1.278   4.771
  587    HE   ARG  83           HE       ARG  83  -7.492  -3.072   5.462
  588   1HH1  ARG  83          1HH2      ARG  83  -4.084  -3.730   5.834
  589   2HH1  ARG  83          2HH2      ARG  83  -4.363  -5.073   6.881
  590   1HH2  ARG  83          1HH1      ARG  83  -7.805  -4.811   6.787
  591   2HH2  ARG  83          2HH1      ARG  83  -6.448  -5.683   7.420
  592    H    LEU  84           H        LEU  84  -4.244   0.409   3.302
  593    HA   LEU  84           HA       LEU  84  -3.689   2.739   1.512
  594   1HB   LEU  84          2HB       LEU  84  -2.940   2.925   4.401
  595   2HB   LEU  84          1HB       LEU  84  -3.556   4.165   3.317
  596    HG   LEU  84           HG       LEU  84  -5.788   2.716   3.425
  597   1HD1  LEU  84          1HD1      LEU  84  -6.085   1.417   5.361
  598   2HD1  LEU  84          2HD1      LEU  84  -4.728   2.169   6.193
  599   3HD1  LEU  84          3HD1      LEU  84  -4.433   1.016   4.909
  600   1HD2  LEU  84          1HD2      LEU  84  -6.443   4.064   5.481
  601   2HD2  LEU  84          2HD2      LEU  84  -5.754   5.002   4.162
  602   3HD2  LEU  84          3HD2      LEU  84  -4.768   4.607   5.566
  603    H    CYS  85           H        CYS  85  -1.417   3.255   1.350
  604    HA   CYS  85           HA       CYS  85   0.283   0.863   1.619
  605   1HB   CYS  85          2HB       CYS  85   0.031   2.693  -0.342
  606   2HB   CYS  85          1HB       CYS  85   1.385   3.410   0.516
  607    HG   CYS  85           HG       CYS  85   1.949   1.412  -1.363
  608    H    CYS  86           H        CYS  86  -0.350   3.515   3.624
  609    HA   CYS  86           HA       CYS  86   2.442   3.498   4.717
  610   1HB   CYS  86          2HB       CYS  86   1.959   5.672   5.672
  611   2HB   CYS  86          1HB       CYS  86   1.572   5.692   3.952
  612    H    GLN  87           H        GLN  87  -0.736   2.436   5.475
  613    HA   GLN  87           HA       GLN  87  -0.044   2.333   8.394
  614   1HB   GLN  87          2HB       GLN  87  -2.316   3.269   7.435
  615   2HB   GLN  87          1HB       GLN  87  -2.743   1.564   7.297
  616   1HG   GLN  87          2HG       GLN  87  -3.494   2.287   9.466
  617   2HG   GLN  87          1HG       GLN  87  -2.050   1.318   9.739
  618   1HE2  GLN  87          1HE2      GLN  87  -1.042   4.191   8.328
  619   2HE2  GLN  87          2HE2      GLN  87  -0.669   5.061   9.735
  620    H    ILE  88           H        ILE  88   0.704   0.561   5.967
  621    HA   ILE  88           HA       ILE  88  -0.103  -2.080   7.170
  622    HB   ILE  88           HB       ILE  88   0.517  -1.270   4.326
  623   1HG1  ILE  88          2HG1      ILE  88  -1.702  -2.862   5.657
  624   2HG1  ILE  88          1HG1      ILE  88  -1.804  -1.181   5.175
  625   1HG2  ILE  88          1HG2      ILE  88   0.307  -3.899   3.978
  626   2HG2  ILE  88          2HG2      ILE  88   0.910  -3.948   5.627
  627   3HG2  ILE  88          3HG2      ILE  88   1.865  -3.179   4.372
  628   1HD1  ILE  88          1HD1      ILE  88  -1.951  -1.698   2.924
  629   2HD1  ILE  88          2HD1      ILE  88  -2.753  -3.097   3.626
  630   3HD1  ILE  88          3HD1      ILE  88  -1.082  -3.220   3.095
  631    H    ILE  89           H        ILE  89   1.386  -3.187   8.201
  632    HA   ILE  89           HA       ILE  89   4.258  -2.461   7.976
  633    HB   ILE  89           HB       ILE  89   2.747  -4.168   9.973
  634   1HG1  ILE  89          2HG1      ILE  89   2.206  -1.813  10.243
  635   2HG1  ILE  89          1HG1      ILE  89   3.280  -2.298  11.545
  636   1HG2  ILE  89          1HG2      ILE  89   5.666  -3.460   9.714
  637   2HG2  ILE  89          2HG2      ILE  89   4.936  -5.050   9.930
  638   3HG2  ILE  89          3HG2      ILE  89   4.958  -3.900  11.272
  639   1HD1  ILE  89          1HD1      ILE  89   5.166  -1.450   9.873
  640   2HD1  ILE  89          2HD1      ILE  89   4.283  -0.311  10.892
  641   3HD1  ILE  89          3HD1      ILE  89   3.829  -0.520   9.198
  642    H    MET  90           H        MET  90   5.499  -3.701   6.682
  643    HA   MET  90           HA       MET  90   4.559  -6.265   5.716
  644   1HB   MET  90          2HB       MET  90   6.121  -4.480   4.568
  645   2HB   MET  90          1HB       MET  90   7.409  -5.387   5.357
  646   1HG   MET  90          2HG       MET  90   7.110  -6.408   3.217
  647   2HG   MET  90          1HG       MET  90   6.347  -7.489   4.380
  648   1HE   MET  90          1HE       MET  90   4.502  -8.713   2.863
  649   2HE   MET  90          2HE       MET  90   2.942  -7.946   3.174
  650   3HE   MET  90          3HE       MET  90   4.095  -8.152   4.492
  651    H    THR  91           H        THR  91   5.673  -8.279   5.937
  652    HA   THR  91           HA       THR  91   7.591  -8.593   8.157
  653    HB   THR  91           HB       THR  91   6.272  -9.949   9.513
  654    HG1  THR  91           1HG      THR  91   4.405 -11.037   8.597
  655   1HG2  THR  91          1HG2      THR  91   4.122  -8.357   8.102
  656   2HG2  THR  91          2HG2      THR  91   5.175  -7.718   9.367
  657   3HG2  THR  91          3HG2      THR  91   4.041  -9.017   9.733
  658    HA   PRO  92           HA       PRO  92   9.221 -11.501   5.267
  659   1HB   PRO  92          2HB       PRO  92  10.126 -13.497   7.015
  660   2HB   PRO  92          1HB       PRO  92  11.028 -12.038   6.574
  661   1HG   PRO  92          2HG       PRO  92   9.414 -12.610   9.010
  662   2HG   PRO  92          1HG       PRO  92  10.909 -11.672   8.837
  663   1HD   PRO  92          2HD       PRO  92   8.494 -10.483   9.143
  664   2HD   PRO  92          1HD       PRO  92   9.783  -9.749   8.163
  665    H    GLU  93           H        GLU  93   7.191 -12.931   7.842
  666    HA   GLU  93           HA       GLU  93   6.602 -15.344   6.397
  667   1HB   GLU  93          2HB       GLU  93   4.279 -14.649   7.962
  668   2HB   GLU  93          1HB       GLU  93   5.527 -15.827   8.350
  669   1HG   GLU  93          2HG       GLU  93   6.897 -14.056   9.375
  670   2HG   GLU  93          1HG       GLU  93   5.662 -12.861   8.972
  671    H    LEU  94           H        LEU  94   5.244 -12.132   6.286
  672    HA   LEU  94           HA       LEU  94   3.124 -12.935   4.382
  673   1HB   LEU  94          2HB       LEU  94   3.891 -10.261   5.604
  674   2HB   LEU  94          1HB       LEU  94   2.490 -10.497   4.607
  675    HG   LEU  94           HG       LEU  94   3.028 -11.490   7.394
  676   1HD1  LEU  94          1HD1      LEU  94   0.612 -10.788   7.664
  677   2HD1  LEU  94          2HD1      LEU  94   0.693 -10.156   6.020
  678   3HD1  LEU  94          3HD1      LEU  94   1.745  -9.496   7.277
  679   1HD2  LEU  94          1HD2      LEU  94   1.006 -12.963   7.209
  680   2HD2  LEU  94          2HD2      LEU  94   2.399 -13.567   6.352
  681   3HD2  LEU  94          3HD2      LEU  94   1.080 -12.783   5.460
  682    H    ASP  95           H        ASP  95   6.195 -12.788   3.946
  683    HA   ASP  95           HA       ASP  95   6.746 -10.907   1.915
  684   1HB   ASP  95          2HB       ASP  95   8.465 -12.577   1.176
  685   2HB   ASP  95          1HB       ASP  95   8.492 -12.295   2.909
  686    H    GLY  96           H        GLY  96   6.368 -10.888  -0.271
  687   1HA   GLY  96          2HA       GLY  96   5.858 -11.955  -2.401
  688   2HA   GLY  96          1HA       GLY  96   4.891 -13.147  -1.533
  689    H    ILE  97           H        ILE  97   4.214 -10.351  -0.043
  690    HA   ILE  97           HA       ILE  97   1.546 -10.238  -0.809
  691    HB   ILE  97           HB       ILE  97   2.399  -9.066   1.151
  692   1HG1  ILE  97          2HG1      ILE  97   1.093  -7.107  -0.751
  693   2HG1  ILE  97          1HG1      ILE  97   0.235  -8.399   0.067
  694   1HG2  ILE  97          1HG2      ILE  97   4.472  -8.155   0.276
  695   2HG2  ILE  97          2HG2      ILE  97   3.455  -6.831   0.825
  696   3HG2  ILE  97          3HG2      ILE  97   3.592  -7.157  -0.873
  697   1HD1  ILE  97          1HD1      ILE  97   1.846  -6.287   1.517
  698   2HD1  ILE  97          2HD1      ILE  97   0.766  -7.479   2.233
  699   3HD1  ILE  97          3HD1      ILE  97   0.109  -6.175   1.255
  700    H    VAL  98           H        VAL  98   0.370  -9.472  -2.468
  701    HA   VAL  98           HA       VAL  98   1.809  -8.039  -4.662
  702    HB   VAL  98           HB       VAL  98  -0.902  -9.350  -4.847
  703   1HG1  VAL  98          1HG1      VAL  98   1.259  -8.688  -6.868
  704   2HG1  VAL  98          2HG1      VAL  98  -0.283  -7.854  -6.673
  705   3HG1  VAL  98          3HG1      VAL  98  -0.248  -9.524  -7.237
  706   1HG2  VAL  98          1HG2      VAL  98   0.264 -11.368  -5.692
  707   2HG2  VAL  98          2HG2      VAL  98   0.711 -11.039  -4.013
  708   3HG2  VAL  98          3HG2      VAL  98   1.817 -10.619  -5.321
  709    H    VAL  99           H        VAL  99   1.522  -5.868  -4.533
  710    HA   VAL  99           HA       VAL  99  -1.041  -4.782  -3.458
  711    HB   VAL  99           HB       VAL  99   1.383  -3.136  -4.182
  712   1HG1  VAL  99          1HG1      VAL  99   0.573  -1.819  -2.217
  713   2HG1  VAL  99          2HG1      VAL  99  -0.748  -2.973  -2.022
  714   3HG1  VAL  99          3HG1      VAL  99  -0.655  -1.978  -3.473
  715   1HG2  VAL  99          1HG2      VAL  99   1.040  -4.809  -1.679
  716   2HG2  VAL  99          2HG2      VAL  99   2.232  -3.523  -1.866
  717   3HG2  VAL  99          3HG2      VAL  99   2.319  -4.958  -2.884
  718    H    ASP 100           H        ASP 100  -2.453  -3.955  -4.852
  719    HA   ASP 100           HA       ASP 100  -1.650  -3.450  -7.671
  720   1HB   ASP 100          2HB       ASP 100  -4.082  -4.415  -6.299
  721   2HB   ASP 100          1HB       ASP 100  -4.391  -3.326  -7.660
  722    H    VAL 101           H        VAL 101  -1.342  -1.430  -8.292
  723    HA   VAL 101           HA       VAL 101  -2.500   0.783  -6.670
  724    HB   VAL 101           HB       VAL 101  -0.315   1.042  -8.729
  725   1HG1  VAL 101          1HG1      VAL 101  -1.162   2.620  -6.285
  726   2HG1  VAL 101          2HG1      VAL 101  -1.184   3.144  -7.971
  727   3HG1  VAL 101          3HG1      VAL 101   0.353   2.900  -7.141
  728   1HG2  VAL 101          1HG2      VAL 101  -0.173  -0.048  -5.921
  729   2HG2  VAL 101          2HG2      VAL 101   1.183   0.872  -6.580
  730   3HG2  VAL 101          3HG2      VAL 101   0.651  -0.605  -7.378
  731    HA   PRO 102           HA       PRO 102  -5.021   1.496 -10.381
  732   1HB   PRO 102          2HB       PRO 102  -6.522   3.545  -9.495
  733   2HB   PRO 102          1HB       PRO 102  -6.693   1.924  -8.806
  734   1HG   PRO 102          2HG       PRO 102  -5.189   4.261  -7.725
  735   2HG   PRO 102          1HG       PRO 102  -6.274   3.135  -6.898
  736   1HD   PRO 102          2HD       PRO 102  -3.532   2.900  -6.834
  737   2HD   PRO 102          1HD       PRO 102  -4.646   1.526  -6.644
  738    H    ASP 103           H        ASP 103  -5.845   3.695 -11.470
  739    HA   ASP 103           HA       ASP 103  -3.414   5.224 -12.236
  740   1HB   ASP 103          2HB       ASP 103  -4.877   4.372 -14.036
  741   2HB   ASP 103          1HB       ASP 103  -6.237   5.269 -13.360
  742    H    ARG 104           H        ARG 104  -6.163   5.415 -10.246
  743    HA   ARG 104           HA       ARG 104  -5.837   8.373  -9.844
  744   1HB   ARG 104          2HB       ARG 104  -8.235   6.574  -9.338
  745   2HB   ARG 104          1HB       ARG 104  -8.171   8.286  -8.976
  746   1HG   ARG 104          2HG       ARG 104  -7.517   7.545 -11.795
  747   2HG   ARG 104          1HG       ARG 104  -9.185   7.253 -11.315
  748   1HD   ARG 104          2HD       ARG 104  -9.282   9.447 -12.114
  749   2HD   ARG 104          1HD       ARG 104  -9.069   9.722 -10.391
  750    HE   ARG 104           HE       ARG 104  -6.480   9.615 -11.371
  751   1HH1  ARG 104          1HH2      ARG 104  -9.365  11.385 -12.057
  752   2HH1  ARG 104          2HH2      ARG 104  -8.527  12.745 -12.724
  753   1HH2  ARG 104          1HH1      ARG 104  -5.375  11.385 -12.243
  754   2HH2  ARG 104          2HH1      ARG 104  -6.270  12.748 -12.825
  755    H    GLN 105           H        GLN 105  -4.543   8.507  -7.912
  756    HA   GLN 105           HA       GLN 105  -5.255   6.569  -5.734
  757   1HB   GLN 105          2HB       GLN 105  -2.929   6.771  -4.985
  758   2HB   GLN 105          1HB       GLN 105  -2.972   6.265  -6.675
  759   1HG   GLN 105          2HG       GLN 105  -1.417   7.972  -6.870
  760   2HG   GLN 105          1HG       GLN 105  -2.884   8.923  -7.094
  761   1HE2  GLN 105          1HE2      GLN 105  -0.371   8.056  -4.721
  762   2HE2  GLN 105          2HE2      GLN 105  -0.696   9.338  -3.664
  763    H    TRP 106           H        TRP 106  -5.078   9.794  -6.778
  764    HA   TRP 106           HA       TRP 106  -4.605  11.307  -4.446
  765   1HB   TRP 106          2HB       TRP 106  -5.021  12.245  -6.745
  766   2HB   TRP 106          1HB       TRP 106  -6.740  11.922  -6.510
  767    HD1  TRP 106           HD       TRP 106  -8.100  13.585  -5.072
  768    HE1  TRP 106           1HE      TRP 106  -7.526  15.770  -3.819
  769    HE3  TRP 106           3HE      TRP 106  -3.003  13.469  -5.375
  770    HZ2  TRP 106           2HZ      TRP 106  -5.217  17.265  -3.056
  771    HZ3  TRP 106           3HZ      TRP 106  -1.643  15.285  -4.379
  772    HH2  TRP 106           HH       TRP 106  -2.742  17.182  -3.218
  Start of MODEL    8
    1   1H    SER   1          1HT       SER   1  10.991  -7.828   3.278
    2   2H    SER   1          2HT       SER   1  11.820  -9.176   2.662
    3   3H    SER   1          3HT       SER   1  11.177  -9.216   4.235
    4    HA   SER   1           HA       SER   1   9.749 -10.484   2.817
    5   1HB   SER   1          2HB       SER   1   7.669  -8.932   2.967
    6   2HB   SER   1          1HB       SER   1   8.497  -9.349   4.464
    7    HG   SER   1           HG       SER   1   9.656  -7.368   4.242
    8    H    LYS   2           H        LYS   2   8.635 -10.696   0.799
    9    HA   LYS   2           HA       LYS   2   9.708  -8.991  -1.326
   10   1HB   LYS   2          2HB       LYS   2   8.241 -11.586  -1.096
   11   2HB   LYS   2          1HB       LYS   2   8.014 -10.692  -2.591
   12   1HG   LYS   2          2HG       LYS   2  10.804 -11.106  -1.524
   13   2HG   LYS   2          1HG       LYS   2  10.004 -12.428  -2.365
   14   1HD   LYS   2          2HD       LYS   2  10.019  -9.689  -3.621
   15   2HD   LYS   2          1HD       LYS   2  11.473 -10.679  -3.716
   16   1HE   LYS   2          2HE       LYS   2  10.119 -12.530  -4.699
   17   2HE   LYS   2          1HE       LYS   2   8.710 -11.468  -4.686
   18   1HZ   LYS   2          1HZ       LYS   2  11.175 -10.505  -5.943
   19   2HZ   LYS   2          2HZ       LYS   2   9.556 -10.162  -6.332
   20   3HZ   LYS   2          3HZ       LYS   2  10.243 -11.648  -6.777
   21    H    VAL   3           H        VAL   3   8.630  -7.104  -1.810
   22    HA   VAL   3           HA       VAL   3   5.654  -7.040  -1.432
   23    HB   VAL   3           HB       VAL   3   7.790  -4.872  -1.431
   24   1HG1  VAL   3          1HG1      VAL   3   6.043  -3.249  -1.111
   25   2HG1  VAL   3          2HG1      VAL   3   4.804  -4.494  -1.067
   26   3HG1  VAL   3          3HG1      VAL   3   5.647  -4.132  -2.569
   27   1HG2  VAL   3          1HG2      VAL   3   6.774  -4.512   0.880
   28   2HG2  VAL   3          2HG2      VAL   3   7.709  -5.992   0.653
   29   3HG2  VAL   3          3HG2      VAL   3   5.953  -6.048   0.640
   30    H    VAL   4           H        VAL   4   4.611  -7.143  -3.350
   31    HA   VAL   4           HA       VAL   4   6.072  -6.276  -5.830
   32    HB   VAL   4           HB       VAL   4   3.941  -8.292  -5.245
   33   1HG1  VAL   4          1HG1      VAL   4   3.581  -8.440  -7.778
   34   2HG1  VAL   4          2HG1      VAL   4   4.305  -6.834  -7.872
   35   3HG1  VAL   4          3HG1      VAL   4   2.810  -7.078  -6.966
   36   1HG2  VAL   4          1HG2      VAL   4   5.344  -9.763  -6.447
   37   2HG2  VAL   4          2HG2      VAL   4   6.458  -8.749  -5.530
   38   3HG2  VAL   4          3HG2      VAL   4   6.185  -8.438  -7.241
   39    H    TYR   5           H        TYR   5   5.513  -4.460  -6.628
   40    HA   TYR   5           HA       TYR   5   2.950  -3.123  -5.913
   41   1HB   TYR   5          2HB       TYR   5   5.551  -2.041  -7.041
   42   2HB   TYR   5          1HB       TYR   5   4.077  -1.082  -6.919
   43    HD1  TYR   5           1HD      TYR   5   6.974  -2.334  -5.166
   44    HD2  TYR   5           2HD      TYR   5   2.992  -0.812  -4.609
   45    HE1  TYR   5           1HE      TYR   5   7.488  -1.817  -2.799
   46    HE2  TYR   5           2HE      TYR   5   3.522  -0.303  -2.238
   47    HH   TYR   5           HH       TYR   5   6.728  -0.362  -1.023
   48    H    VAL   6           H        VAL   6   1.407  -3.523  -7.438
   49    HA   VAL   6           HA       VAL   6   2.275  -3.944 -10.274
   50    HB   VAL   6           HB       VAL   6  -0.467  -4.411  -9.076
   51   1HG1  VAL   6          1HG1      VAL   6  -0.606  -5.901 -11.156
   52   2HG1  VAL   6          2HG1      VAL   6   0.837  -5.063 -11.714
   53   3HG1  VAL   6          3HG1      VAL   6  -0.650  -4.160 -11.427
   54   1HG2  VAL   6          1HG2      VAL   6   0.886  -5.978  -7.950
   55   2HG2  VAL   6          2HG2      VAL   6   1.931  -6.206  -9.347
   56   3HG2  VAL   6          3HG2      VAL   6   0.302  -6.877  -9.351
   57    H    SER   7           H        SER   7   2.356  -2.072 -11.260
   58    HA   SER   7           HA       SER   7   0.866   0.244 -10.367
   59   1HB   SER   7          2HB       SER   7   2.145   1.470 -11.877
   60   2HB   SER   7          1HB       SER   7   3.202   0.102 -11.543
   61    HG   SER   7           HG       SER   7   2.999   0.447 -13.784
   62    H    HIS   8           H        HIS   8  -0.025   1.561 -12.396
   63    HA   HIS   8           HA       HIS   8  -2.426   0.084 -13.197
   64   1HB   HIS   8          2HB       HIS   8  -2.473   2.583 -14.521
   65   2HB   HIS   8          1HB       HIS   8  -3.258   2.201 -13.003
   66    HD1  HIS   8           1HD      HIS   8  -0.991   2.117 -11.021
   67    HD2  HIS   8           2HD      HIS   8  -1.166   4.960 -14.075
   68    HE1  HIS   8           1HE      HIS   8   0.423   4.080 -10.257
   69    HE2  HIS   8           2HE      HIS   8   0.325   5.812 -12.109
   70    H    ASP   9           H        ASP   9   0.386   1.569 -14.807
   71    HA   ASP   9           HA       ASP   9  -0.387   0.848 -17.450
   72   1HB   ASP   9          2HB       ASP   9   2.260   0.927 -17.754
   73   2HB   ASP   9          1HB       ASP   9   1.345   2.402 -17.445
   74    H    GLY  10           H        GLY  10   0.408  -1.197 -14.869
   75   1HA   GLY  10          2HA       GLY  10   0.273  -3.597 -15.093
   76   2HA   GLY  10          1HA       GLY  10   0.807  -3.459 -16.772
   77    H    THR  11           H        THR  11   2.896  -1.459 -15.478
   78    HA   THR  11           HA       THR  11   5.041  -3.347 -15.492
   79    HB   THR  11           HB       THR  11   4.954  -0.661 -15.750
   80    HG1  THR  11           1HG      THR  11   6.653  -2.370 -16.103
   81   1HG2  THR  11          1HG2      THR  11   4.627  -0.313 -13.294
   82   2HG2  THR  11          2HG2      THR  11   6.092   0.440 -13.916
   83   3HG2  THR  11          3HG2      THR  11   6.195  -1.071 -13.009
   84    H    ARG  12           H        ARG  12   5.772  -4.620 -13.942
   85    HA   ARG  12           HA       ARG  12   4.676  -4.333 -11.168
   86   1HB   ARG  12          2HB       ARG  12   6.110  -6.749 -12.294
   87   2HB   ARG  12          1HB       ARG  12   5.073  -6.677 -10.878
   88   1HG   ARG  12          2HG       ARG  12   3.543  -5.757 -13.180
   89   2HG   ARG  12          1HG       ARG  12   4.329  -7.263 -13.615
   90   1HD   ARG  12          2HD       ARG  12   3.029  -7.378 -10.963
   91   2HD   ARG  12          1HD       ARG  12   1.921  -7.062 -12.292
   92    HE   ARG  12           HE       ARG  12   3.831  -9.319 -12.574
   93   1HH1  ARG  12          1HH2      ARG  12   0.598  -8.118 -12.131
   94   2HH1  ARG  12          2HH2      ARG  12  -0.138  -9.657 -12.400
   95   1HH2  ARG  12          1HH1      ARG  12   2.865 -11.312 -12.874
   96   2HH2  ARG  12          2HH1      ARG  12   1.141 -11.475 -12.799
   97    H    ARG  13           H        ARG  13   6.059  -4.011  -9.452
   98    HA   ARG  13           HA       ARG  13   9.009  -4.163  -9.935
   99   1HB   ARG  13          2HB       ARG  13   7.922  -1.777  -9.860
  100   2HB   ARG  13          1HB       ARG  13   7.744  -2.096  -8.142
  101   1HG   ARG  13          2HG       ARG  13   9.840  -1.126  -8.083
  102   2HG   ARG  13          1HG       ARG  13  10.314  -2.797  -8.337
  103   1HD   ARG  13          2HD       ARG  13  11.323  -2.244 -10.306
  104   2HD   ARG  13          1HD       ARG  13   9.842  -1.518 -10.920
  105    HE   ARG  13           HE       ARG  13  12.089  -0.078  -9.813
  106   1HH1  ARG  13          1HH2      ARG  13   8.643  -0.136 -10.163
  107   2HH1  ARG  13          2HH2      ARG  13   8.457   1.560  -9.891
  108   1HH2  ARG  13          1HH1      ARG  13  11.858   2.149  -9.486
  109   2HH2  ARG  13          2HH1      ARG  13  10.281   2.868  -9.508
  110    H    GLU  14           H        GLU  14   9.886  -5.506  -8.439
  111    HA   GLU  14           HA       GLU  14   8.320  -6.143  -5.990
  112   1HB   GLU  14          2HB       GLU  14  10.722  -7.757  -6.806
  113   2HB   GLU  14          1HB       GLU  14   9.220  -8.281  -6.046
  114   1HG   GLU  14          2HG       GLU  14   8.099  -7.642  -8.297
  115   2HG   GLU  14          1HG       GLU  14   9.735  -7.653  -8.956
  116    H    LEU  15           H        LEU  15   9.000  -5.478  -4.110
  117    HA   LEU  15           HA       LEU  15  11.744  -4.337  -3.827
  118   1HB   LEU  15          2HB       LEU  15   9.115  -3.299  -3.353
  119   2HB   LEU  15          1HB       LEU  15   9.831  -3.547  -1.771
  120    HG   LEU  15           HG       LEU  15  11.916  -2.359  -3.032
  121   1HD1  LEU  15          1HD1      LEU  15  10.932  -0.352  -4.191
  122   2HD1  LEU  15          2HD1      LEU  15   9.389  -1.196  -4.210
  123   3HD1  LEU  15          3HD1      LEU  15  10.767  -1.855  -5.100
  124   1HD2  LEU  15          1HD2      LEU  15  11.130  -1.662  -0.882
  125   2HD2  LEU  15          2HD2      LEU  15   9.602  -1.098  -1.553
  126   3HD2  LEU  15          3HD2      LEU  15  11.100  -0.237  -1.917
  127    H    ASP  16           H        ASP  16  12.693  -4.428  -1.767
  128    HA   ASP  16           HA       ASP  16  11.898  -6.792  -0.109
  129   1HB   ASP  16          2HB       ASP  16  14.554  -5.485  -0.767
  130   2HB   ASP  16          1HB       ASP  16  14.362  -6.358   0.742
  131    H    VAL  17           H        VAL  17  10.737  -5.965   1.605
  132    HA   VAL  17           HA       VAL  17  11.535  -3.315   2.784
  133    HB   VAL  17           HB       VAL  17   8.780  -4.634   2.889
  134   1HG1  VAL  17          1HG1      VAL  17   8.562  -3.044   4.495
  135   2HG1  VAL  17          2HG1      VAL  17   8.403  -1.932   3.143
  136   3HG1  VAL  17          3HG1      VAL  17   9.958  -2.117   3.942
  137   1HG2  VAL  17          1HG2      VAL  17  10.019  -2.703   0.906
  138   2HG2  VAL  17          2HG2      VAL  17   8.277  -2.776   1.156
  139   3HG2  VAL  17          3HG2      VAL  17   9.147  -4.196   0.573
  140    H    ALA  18           H        ALA  18  12.335  -3.438   4.785
  141    HA   ALA  18           HA       ALA  18  12.583  -5.969   6.135
  142   1HB   ALA  18          1HB       ALA  18  14.028  -3.715   6.242
  143   2HB   ALA  18          2HB       ALA  18  14.029  -4.877   7.565
  144   3HB   ALA  18          3HB       ALA  18  13.024  -3.432   7.661
  145    H    ASP  19           H        ASP  19  11.904  -6.346   8.351
  146    HA   ASP  19           HA       ASP  19   9.069  -6.193   8.670
  147   1HB   ASP  19          2HB       ASP  19   9.626  -6.970  11.037
  148   2HB   ASP  19          1HB       ASP  19  10.219  -7.996   9.743
  149    H    GLY  20           H        GLY  20   7.835  -4.947   9.884
  150   1HA   GLY  20          2HA       GLY  20   7.203  -3.161  11.338
  151   2HA   GLY  20          1HA       GLY  20   8.901  -2.914  11.699
  152    H    VAL  21           H        VAL  21   8.809  -2.912   8.353
  153    HA   VAL  21           HA       VAL  21   8.858   0.041   8.360
  154    HB   VAL  21           HB       VAL  21   9.399  -1.911   6.132
  155   1HG1  VAL  21          1HG1      VAL  21   9.911   1.018   6.483
  156   2HG1  VAL  21          2HG1      VAL  21   9.034   0.197   5.181
  157   3HG1  VAL  21          3HG1      VAL  21  10.787   0.051   5.296
  158   1HG2  VAL  21          1HG2      VAL  21  11.712  -1.840   6.616
  159   2HG2  VAL  21          2HG2      VAL  21  10.903  -2.200   8.146
  160   3HG2  VAL  21          3HG2      VAL  21  11.488  -0.569   7.823
  161    H    SER  22           H        SER  22   7.490   1.267   6.937
  162    HA   SER  22           HA       SER  22   4.958  -0.114   6.232
  163   1HB   SER  22          2HB       SER  22   4.013   2.096   6.025
  164   2HB   SER  22          1HB       SER  22   4.977   2.081   7.502
  165    HG   SER  22           HG       SER  22   6.510   2.714   5.385
  166    H    LEU  23           H        LEU  23   4.220  -0.216   4.083
  167    HA   LEU  23           HA       LEU  23   6.090  -0.440   1.979
  168   1HB   LEU  23          2HB       LEU  23   3.158   0.315   1.814
  169   2HB   LEU  23          1HB       LEU  23   4.121  -0.295   0.470
  170    HG   LEU  23           HG       LEU  23   3.420  -1.780   3.022
  171   1HD1  LEU  23          1HD1      LEU  23   1.575  -1.807   1.507
  172   2HD1  LEU  23          2HD1      LEU  23   2.391  -3.357   1.297
  173   3HD1  LEU  23          3HD1      LEU  23   2.632  -2.071   0.119
  174   1HD2  LEU  23          1HD2      LEU  23   5.415  -2.351   0.856
  175   2HD2  LEU  23          2HD2      LEU  23   4.567  -3.701   1.599
  176   3HD2  LEU  23          3HD2      LEU  23   5.549  -2.625   2.588
  177    H    MET  24           H        MET  24   4.703   2.352   3.410
  178    HA   MET  24           HA       MET  24   5.157   4.128   1.143
  179   1HB   MET  24          2HB       MET  24   3.448   4.860   2.574
  180   2HB   MET  24          1HB       MET  24   4.356   4.433   4.024
  181   1HG   MET  24          2HG       MET  24   5.683   6.362   3.915
  182   2HG   MET  24          1HG       MET  24   5.391   6.586   2.191
  183   1HE   MET  24          1HE       MET  24   3.608   9.735   2.934
  184   2HE   MET  24          2HE       MET  24   4.657   8.788   1.884
  185   3HE   MET  24          3HE       MET  24   5.183   9.177   3.519
  186    H    GLN  25           H        GLN  25   7.022   2.905   3.805
  187    HA   GLN  25           HA       GLN  25   9.024   5.033   3.705
  188   1HB   GLN  25          2HB       GLN  25   8.632   2.486   5.213
  189   2HB   GLN  25          1HB       GLN  25  10.293   3.052   5.058
  190   1HG   GLN  25          2HG       GLN  25   9.701   5.193   6.059
  191   2HG   GLN  25          1HG       GLN  25   7.995   4.744   6.091
  192   1HE2  GLN  25          1HE2      GLN  25  11.134   4.153   7.627
  193   2HE2  GLN  25          2HE2      GLN  25  10.521   3.284   8.945
  194    H    ALA  26           H        ALA  26   9.077   1.529   2.784
  195    HA   ALA  26           HA       ALA  26  11.632   1.863   1.429
  196   1HB   ALA  26          1HB       ALA  26   9.782  -0.369   0.661
  197   2HB   ALA  26          2HB       ALA  26  10.351  -0.299   2.332
  198   3HB   ALA  26          3HB       ALA  26  11.512  -0.408   1.015
  199    H    ALA  27           H        ALA  27   8.319   2.333   0.310
  200    HA   ALA  27           HA       ALA  27   8.966   2.092  -2.481
  201   1HB   ALA  27          1HB       ALA  27   6.671   1.881  -1.861
  202   2HB   ALA  27          2HB       ALA  27   6.802   3.391  -2.762
  203   3HB   ALA  27          3HB       ALA  27   6.691   3.421  -1.008
  204    H    VAL  28           H        VAL  28   9.132   4.773  -0.183
  205    HA   VAL  28           HA       VAL  28   9.438   6.832  -2.212
  206    HB   VAL  28           HB       VAL  28   9.878   6.714   0.777
  207   1HG1  VAL  28          1HG1      VAL  28  11.586   8.238   0.126
  208   2HG1  VAL  28          2HG1      VAL  28  10.216   9.258   0.568
  209   3HG1  VAL  28          3HG1      VAL  28  10.580   8.950  -1.125
  210   1HG2  VAL  28          1HG2      VAL  28   8.023   8.292   0.824
  211   2HG2  VAL  28          2HG2      VAL  28   7.561   6.892  -0.133
  212   3HG2  VAL  28          3HG2      VAL  28   8.033   8.395  -0.929
  213    H    SER  29           H        SER  29  11.528   4.563  -0.657
  214    HA   SER  29           HA       SER  29  13.988   6.053  -1.255
  215   1HB   SER  29          2HB       SER  29  14.694   4.722   0.446
  216   2HB   SER  29          1HB       SER  29  13.157   3.879   0.391
  217    HG   SER  29           HG       SER  29  15.585   3.062  -0.428
  218    H    ASN  30           H        ASN  30  11.888   3.900  -2.824
  219    HA   ASN  30           HA       ASN  30  13.986   3.080  -4.798
  220   1HB   ASN  30          2HB       ASN  30  11.345   1.913  -3.940
  221   2HB   ASN  30          1HB       ASN  30  12.088   1.456  -5.467
  222   1HD2  ASN  30          1HD2      ASN  30  13.130   1.863  -2.026
  223   2HD2  ASN  30          2HD2      ASN  30  14.092   0.465  -2.002
  224    H    GLY  31           H        GLY  31  12.051   5.620  -4.424
  225   1HA   GLY  31          2HA       GLY  31  11.143   7.104  -6.003
  226   2HA   GLY  31          1HA       GLY  31  11.913   6.116  -7.237
  227    H    ILE  32           H        ILE  32   9.436   4.929  -4.985
  228    HA   ILE  32           HA       ILE  32   7.684   4.411  -7.361
  229    HB   ILE  32           HB       ILE  32   7.958   2.983  -4.730
  230   1HG1  ILE  32          2HG1      ILE  32   8.477   1.973  -7.535
  231   2HG1  ILE  32          1HG1      ILE  32   9.737   2.702  -6.540
  232   1HG2  ILE  32          1HG2      ILE  32   6.031   2.625  -7.028
  233   2HG2  ILE  32          2HG2      ILE  32   5.665   2.775  -5.307
  234   3HG2  ILE  32          3HG2      ILE  32   6.417   1.302  -5.922
  235   1HD1  ILE  32          1HD1      ILE  32   9.152   1.023  -4.748
  236   2HD1  ILE  32          2HD1      ILE  32   9.869   0.329  -6.199
  237   3HD1  ILE  32          3HD1      ILE  32   8.129   0.212  -5.931
  238    H    TYR  33           H        TYR  33   7.599   5.490  -4.003
  239    HA   TYR  33           HA       TYR  33   4.771   5.773  -3.945
  240   1HB   TYR  33          2HB       TYR  33   6.834   5.941  -2.114
  241   2HB   TYR  33          1HB       TYR  33   6.255   7.600  -2.168
  242    HD1  TYR  33           1HD      TYR  33   4.690   4.176  -2.283
  243    HD2  TYR  33           2HD      TYR  33   4.691   8.090  -0.499
  244    HE1  TYR  33           1HE      TYR  33   2.784   3.523  -0.825
  245    HE2  TYR  33           2HE      TYR  33   2.786   7.435   0.939
  246    HH   TYR  33           HH       TYR  33   1.443   5.795   1.567
  247    H    ASP  34           H        ASP  34   6.485   7.414  -6.122
  248    HA   ASP  34           HA       ASP  34   6.124  10.147  -5.773
  249   1HB   ASP  34          2HB       ASP  34   5.981  10.309  -8.248
  250   2HB   ASP  34          1HB       ASP  34   7.244   9.190  -7.732
  251    H    ILE  35           H        ILE  35   3.957   9.115  -4.575
  252    HA   ILE  35           HA       ILE  35   1.563   9.910  -6.189
  253    HB   ILE  35           HB       ILE  35   1.538   8.535  -3.492
  254   1HG1  ILE  35          2HG1      ILE  35   1.305   7.177  -6.189
  255   2HG1  ILE  35          1HG1      ILE  35   2.814   7.231  -5.282
  256   1HG2  ILE  35          1HG2      ILE  35  -0.704   7.726  -4.537
  257   2HG2  ILE  35          2HG2      ILE  35  -0.494   9.064  -5.663
  258   3HG2  ILE  35          3HG2      ILE  35  -0.617   9.375  -3.929
  259   1HD1  ILE  35          1HD1      ILE  35   1.308   5.157  -4.967
  260   2HD1  ILE  35          2HD1      ILE  35   0.270   6.219  -4.013
  261   3HD1  ILE  35          3HD1      ILE  35   1.936   5.936  -3.514
  262    H    VAL  36           H        VAL  36   3.700  11.461  -4.442
  263    HA   VAL  36           HA       VAL  36   3.686  13.399  -3.127
  264    HB   VAL  36           HB       VAL  36   0.803  13.714  -3.982
  265   1HG1  VAL  36          1HG1      VAL  36   1.774  15.345  -2.370
  266   2HG1  VAL  36          2HG1      VAL  36   1.375  16.095  -3.920
  267   3HG1  VAL  36          3HG1      VAL  36   3.051  15.703  -3.535
  268   1HG2  VAL  36          1HG2      VAL  36   1.784  14.867  -6.012
  269   2HG2  VAL  36          2HG2      VAL  36   2.005  13.119  -5.995
  270   3HG2  VAL  36          3HG2      VAL  36   3.346  14.181  -5.565
  271    H    GLY  37           H        GLY  37   3.753  11.944  -1.209
  272   1HA   GLY  37          2HA       GLY  37   1.319  11.231   0.165
  273   2HA   GLY  37          1HA       GLY  37   2.939  11.214   0.867
  274    H    ASP  38           H        ASP  38  -0.032  12.850   0.831
  275    HA   ASP  38           HA       ASP  38   0.863  15.504   1.495
  276   1HB   ASP  38          2HB       ASP  38  -1.724  14.018   1.939
  277   2HB   ASP  38          1HB       ASP  38  -1.500  15.677   2.486
  278    H    CYS  39           H        CYS  39  -0.682  13.100   3.678
  279    HA   CYS  39           HA       CYS  39   0.235  14.465   6.026
  280   1HB   CYS  39          2HB       CYS  39  -0.719  12.716   7.274
  281   2HB   CYS  39          1HB       CYS  39  -1.698  12.765   5.816
  282    H    GLY  40           H        GLY  40   1.987  12.734   3.787
  283   1HA   GLY  40          2HA       GLY  40   4.252  12.100   3.814
  284   2HA   GLY  40          1HA       GLY  40   4.357  12.766   5.443
  285    H    GLY  41           H        GLY  41   1.802  10.602   5.307
  286   1HA   GLY  41          2HA       GLY  41   1.828   8.165   5.525
  287   2HA   GLY  41          1HA       GLY  41   3.503   8.257   6.061
  288    H    SER  42           H        SER  42   1.260  10.590   7.319
  289    HA   SER  42           HA       SER  42   1.496   9.321  10.006
  290   1HB   SER  42          2HB       SER  42   2.083  11.776   9.588
  291   2HB   SER  42          1HB       SER  42   0.358  12.047   9.351
  292    HG   SER  42           HG       SER  42   0.409  12.256  11.455
  293    H    ALA  43           H        ALA  43  -0.413   8.616   7.687
  294    HA   ALA  43           HA       ALA  43  -2.653   7.957   7.471
  295   1HB   ALA  43          1HB       ALA  43  -3.675   7.047   9.428
  296   2HB   ALA  43          2HB       ALA  43  -2.731   8.090  10.486
  297   3HB   ALA  43          3HB       ALA  43  -1.945   6.775   9.613
  298    H    SER  44           H        SER  44  -2.652  10.480   6.820
  299    HA   SER  44           HA       SER  44  -5.037  11.594   8.177
  300   1HB   SER  44          2HB       SER  44  -2.846  13.569   7.665
  301   2HB   SER  44          1HB       SER  44  -4.073  13.555   8.926
  302    HG   SER  44           HG       SER  44  -2.835  11.584   9.659
  303    H    CYS  45           H        CYS  45  -3.981  10.532   5.414
  304    HA   CYS  45           HA       CYS  45  -5.470  12.576   3.862
  305   1HB   CYS  45          2HB       CYS  45  -3.784  13.025   2.308
  306   2HB   CYS  45          1HB       CYS  45  -2.905  13.020   3.829
  307    H    ALA  46           H        ALA  46  -5.113  11.602   1.344
  308    HA   ALA  46           HA       ALA  46  -5.824   8.695   1.483
  309   1HB   ALA  46          1HB       ALA  46  -7.391  10.989   0.332
  310   2HB   ALA  46          2HB       ALA  46  -7.964   9.618   1.280
  311   3HB   ALA  46          3HB       ALA  46  -7.519   9.397  -0.407
  312    H    THR  47           H        THR  47  -3.417  10.337   0.595
  313    HA   THR  47           HA       THR  47  -3.344  10.089  -2.301
  314    HB   THR  47           HB       THR  47  -0.829  10.484  -1.879
  315    HG1  THR  47           1HG      THR  47  -1.086   9.709   0.342
  316   1HG2  THR  47          1HG2      THR  47  -2.025  12.391  -2.540
  317   2HG2  THR  47          2HG2      THR  47  -1.359  12.878  -0.977
  318   3HG2  THR  47          3HG2      THR  47  -3.043  12.373  -1.100
  319    H    CYS  48           H        CYS  48  -2.663   8.029   0.394
  320    HA   CYS  48           HA       CYS  48  -1.078   6.130  -1.216
  321   1HB   CYS  48          2HB       CYS  48  -1.071   4.829   0.959
  322   2HB   CYS  48          1HB       CYS  48  -0.319   6.421   1.022
  323    H    HIS  49           H        HIS  49  -3.790   6.528  -2.096
  324    HA   HIS  49           HA       HIS  49  -5.530   4.391  -1.183
  325   1HB   HIS  49          2HB       HIS  49  -6.507   6.304  -2.277
  326   2HB   HIS  49          1HB       HIS  49  -5.426   6.147  -3.635
  327    HD1  HIS  49           1HD      HIS  49  -7.853   3.589  -2.053
  328    HD2  HIS  49           2HD      HIS  49  -6.927   5.321  -5.716
  329    HE1  HIS  49           1HE      HIS  49  -9.415   2.532  -3.798
  330    HE2  HIS  49           2HE      HIS  49  -8.812   3.570  -6.005
  331    H    VAL  50           H        VAL  50  -4.943   2.212  -1.524
  332    HA   VAL  50           HA       VAL  50  -4.224   1.458  -4.300
  333    HB   VAL  50           HB       VAL  50  -2.166   0.480  -3.878
  334   1HG1  VAL  50          1HG1      VAL  50  -2.267   2.610  -1.729
  335   2HG1  VAL  50          2HG1      VAL  50  -1.994   2.911  -3.441
  336   3HG1  VAL  50          3HG1      VAL  50  -0.814   1.994  -2.509
  337   1HG2  VAL  50          1HG2      VAL  50  -1.443  -0.039  -1.421
  338   2HG2  VAL  50          2HG2      VAL  50  -2.625  -1.099  -2.195
  339   3HG2  VAL  50          3HG2      VAL  50  -3.159   0.134  -1.046
  340    H    TYR  51           H        TYR  51  -4.012  -1.085  -4.302
  341    HA   TYR  51           HA       TYR  51  -6.240  -2.187  -2.629
  342   1HB   TYR  51          2HB       TYR  51  -5.479  -2.620  -5.515
  343   2HB   TYR  51          1HB       TYR  51  -6.722  -3.529  -4.688
  344    HD1  TYR  51           1HD      TYR  51  -8.779  -2.247  -3.766
  345    HD2  TYR  51           2HD      TYR  51  -5.802  -0.416  -6.287
  346    HE1  TYR  51           1HE      TYR  51 -10.308  -0.358  -4.246
  347    HE2  TYR  51           2HE      TYR  51  -7.347   1.434  -6.730
  348    HH   TYR  51           HH       TYR  51 -10.399   1.774  -5.117
  349    H    VAL  52           H        VAL  52  -5.401  -3.550  -1.297
  350    HA   VAL  52           HA       VAL  52  -2.887  -5.041  -1.811
  351    HB   VAL  52           HB       VAL  52  -4.669  -5.129   0.643
  352   1HG1  VAL  52          1HG1      VAL  52  -3.348  -7.091   0.596
  353   2HG1  VAL  52          2HG1      VAL  52  -2.475  -5.985   1.655
  354   3HG1  VAL  52          3HG1      VAL  52  -1.936  -6.223  -0.003
  355   1HG2  VAL  52          1HG2      VAL  52  -2.914  -3.679   1.671
  356   2HG2  VAL  52          2HG2      VAL  52  -3.739  -2.870   0.333
  357   3HG2  VAL  52          3HG2      VAL  52  -2.129  -3.548   0.093
  358    H    ASN  53           H        ASN  53  -2.884  -7.139  -2.479
  359    HA   ASN  53           HA       ASN  53  -5.185  -8.474  -3.393
  360   1HB   ASN  53          2HB       ASN  53  -3.106  -9.367  -4.057
  361   2HB   ASN  53          1HB       ASN  53  -2.542  -9.550  -2.402
  362   1HD2  ASN  53          1HD2      ASN  53  -2.176 -11.848  -3.507
  363   2HD2  ASN  53          2HD2      ASN  53  -3.449 -12.958  -3.303
  364    H    GLU  54           H        GLU  54  -6.928  -9.186  -2.308
  365    HA   GLU  54           HA       GLU  54  -7.374  -8.984   0.414
  366   1HB   GLU  54          2HB       GLU  54  -9.187 -10.705   0.080
  367   2HB   GLU  54          1HB       GLU  54  -9.212  -9.374  -1.074
  368   1HG   GLU  54          2HG       GLU  54  -8.183 -10.719  -2.774
  369   2HG   GLU  54          1HG       GLU  54  -7.812 -12.002  -1.622
  370    H    ALA  55           H        ALA  55  -5.094 -11.083  -0.851
  371    HA   ALA  55           HA       ALA  55  -5.566 -13.254   1.096
  372   1HB   ALA  55          1HB       ALA  55  -3.512 -12.795  -1.068
  373   2HB   ALA  55          2HB       ALA  55  -4.766 -14.031  -0.989
  374   3HB   ALA  55          3HB       ALA  55  -3.372 -14.125   0.078
  375    H    PHE  56           H        PHE  56  -3.784 -10.232   1.083
  376    HA   PHE  56           HA       PHE  56  -2.064 -11.186   3.332
  377   1HB   PHE  56          2HB       PHE  56  -1.819  -8.985   1.264
  378   2HB   PHE  56          1HB       PHE  56  -0.739  -9.115   2.649
  379    HD1  PHE  56           1HD      PHE  56  -2.091 -11.158  -0.194
  380    HD2  PHE  56           2HD      PHE  56   1.163 -10.481   2.493
  381    HE1  PHE  56           1HE      PHE  56  -0.782 -12.936  -1.314
  382    HE2  PHE  56           2HE      PHE  56   2.443 -12.249   1.428
  383    HZ   PHE  56           HZ       PHE  56   1.498 -13.486  -0.512
  384    H    THR  57           H        THR  57  -4.797  -9.506   2.479
  385    HA   THR  57           HA       THR  57  -4.697  -7.251   4.291
  386    HB   THR  57           HB       THR  57  -7.232  -7.262   3.926
  387    HG1  THR  57           1HG      THR  57  -6.438  -9.391   2.236
  388   1HG2  THR  57          1HG2      THR  57  -5.572  -5.987   2.553
  389   2HG2  THR  57          2HG2      THR  57  -7.028  -6.434   1.669
  390   3HG2  THR  57          3HG2      THR  57  -5.532  -7.337   1.427
  391    H    ASP  58           H        ASP  58  -6.019 -10.552   4.566
  392    HA   ASP  58           HA       ASP  58  -7.075  -9.947   7.252
  393   1HB   ASP  58          2HB       ASP  58  -7.846 -12.296   7.214
  394   2HB   ASP  58          1HB       ASP  58  -8.351 -11.440   5.760
  395    H    LYS  59           H        LYS  59  -4.076 -10.580   6.094
  396    HA   LYS  59           HA       LYS  59  -3.278 -12.195   8.485
  397   1HB   LYS  59          2HB       LYS  59  -1.481 -11.601   6.165
  398   2HB   LYS  59          1HB       LYS  59  -1.500 -13.006   7.233
  399   1HG   LYS  59          2HG       LYS  59  -3.880 -13.432   6.183
  400   2HG   LYS  59          1HG       LYS  59  -3.311 -12.361   4.894
  401   1HD   LYS  59          2HD       LYS  59  -2.672 -14.483   4.105
  402   2HD   LYS  59          1HD       LYS  59  -1.196 -13.921   4.888
  403   1HE   LYS  59          2HE       LYS  59  -1.367 -16.054   5.804
  404   2HE   LYS  59          1HE       LYS  59  -2.269 -15.144   7.012
  405   1HZ   LYS  59          1HZ       LYS  59  -3.327 -17.232   6.050
  406   2HZ   LYS  59          2HZ       LYS  59  -3.614 -16.307   4.654
  407   3HZ   LYS  59          3HZ       LYS  59  -4.287 -15.837   6.142
  408    H    VAL  60           H        VAL  60  -2.383  -9.339   6.577
  409    HA   VAL  60           HA       VAL  60  -0.451  -8.435   8.548
  410    HB   VAL  60           HB       VAL  60  -1.080  -7.840   5.908
  411   1HG1  VAL  60          1HG1      VAL  60  -1.500  -5.410   5.778
  412   2HG1  VAL  60          2HG1      VAL  60  -1.774  -5.383   7.515
  413   3HG1  VAL  60          3HG1      VAL  60  -2.845  -6.307   6.469
  414   1HG2  VAL  60          1HG2      VAL  60   1.073  -7.177   7.693
  415   2HG2  VAL  60          2HG2      VAL  60   0.693  -5.756   6.733
  416   3HG2  VAL  60          3HG2      VAL  60   1.101  -7.274   5.937
  417    HA   PRO  61           HA       PRO  61  -3.030  -6.656  11.570
  418   1HB   PRO  61          2HB       PRO  61  -2.170  -3.990  11.862
  419   2HB   PRO  61          1HB       PRO  61  -1.475  -5.411  12.657
  420   1HG   PRO  61          2HG       PRO  61  -0.492  -3.896  10.323
  421   2HG   PRO  61          1HG       PRO  61   0.408  -4.851  11.512
  422   1HD   PRO  61          2HD       PRO  61  -0.113  -5.678   8.933
  423   2HD   PRO  61          1HD       PRO  61   0.233  -6.791  10.250
  424    H    ALA  62           H        ALA  62  -5.113  -6.375  11.243
  425    HA   ALA  62           HA       ALA  62  -6.553  -5.278   9.253
  426   1HB   ALA  62          1HB       ALA  62  -8.365  -4.896  10.916
  427   2HB   ALA  62          2HB       ALA  62  -7.195  -5.143  12.211
  428   3HB   ALA  62          3HB       ALA  62  -7.588  -6.467  11.109
  429    H    ALA  63           H        ALA  63  -6.969  -3.396   8.508
  430    HA   ALA  63           HA       ALA  63  -5.582  -1.023   9.146
  431   1HB   ALA  63          1HB       ALA  63  -6.597  -1.197   6.991
  432   2HB   ALA  63          2HB       ALA  63  -7.441   0.112   7.820
  433   3HB   ALA  63          3HB       ALA  63  -8.190  -1.478   7.691
  434    H    ASN  64           H        ASN  64  -6.076   0.747  10.362
  435    HA   ASN  64           HA       ASN  64  -7.964   0.330  12.592
  436   1HB   ASN  64          2HB       ASN  64  -7.043   2.821  13.100
  437   2HB   ASN  64          1HB       ASN  64  -6.115   1.377  13.481
  438   1HD2  ASN  64          1HD2      ASN  64  -5.615   4.323  12.225
  439   2HD2  ASN  64          2HD2      ASN  64  -4.431   3.981  11.062
  440    H    GLU  65           H        GLU  65  -9.497   1.998  13.238
  441    HA   GLU  65           HA       GLU  65 -11.396   2.594  11.244
  442   1HB   GLU  65          2HB       GLU  65 -12.510   3.964  12.917
  443   2HB   GLU  65          1HB       GLU  65 -11.896   2.489  13.666
  444   1HG   GLU  65          2HG       GLU  65  -9.806   3.861  14.270
  445   2HG   GLU  65          1HG       GLU  65 -10.757   5.283  13.837
  446    H    ARG  66           H        ARG  66  -8.481   4.373  12.019
  447    HA   ARG  66           HA       ARG  66  -9.450   6.927  11.095
  448   1HB   ARG  66          2HB       ARG  66  -6.718   5.696  11.499
  449   2HB   ARG  66          1HB       ARG  66  -6.899   7.285  10.761
  450   1HG   ARG  66          2HG       ARG  66  -7.922   8.196  12.707
  451   2HG   ARG  66          1HG       ARG  66  -8.215   6.601  13.391
  452   1HD   ARG  66          2HD       ARG  66  -6.190   6.638  14.438
  453   2HD   ARG  66          1HD       ARG  66  -5.369   6.967  12.914
  454    HE   ARG  66           HE       ARG  66  -6.675   9.172  14.463
  455   1HH1  ARG  66          1HH2      ARG  66  -3.885   7.783  12.915
  456   2HH1  ARG  66          2HH2      ARG  66  -2.977   9.249  12.995
  457   1HH2  ARG  66          1HH1      ARG  66  -5.478  11.032  14.595
  458   2HH2  ARG  66          2HH1      ARG  66  -3.872  11.092  13.946
  459    H    GLU  67           H        GLU  67  -7.958   4.104   9.575
  460    HA   GLU  67           HA       GLU  67  -7.599   5.348   6.989
  461   1HB   GLU  67          2HB       GLU  67  -7.834   2.393   7.559
  462   2HB   GLU  67          1HB       GLU  67  -6.979   3.171   6.226
  463   1HG   GLU  67          2HG       GLU  67  -5.475   4.261   7.936
  464   2HG   GLU  67          1HG       GLU  67  -6.252   3.268   9.167
  465    H    ILE  68           H        ILE  68 -10.130   3.246   8.381
  466    HA   ILE  68           HA       ILE  68 -11.616   2.791   6.027
  467    HB   ILE  68           HB       ILE  68 -12.387   3.063   8.939
  468   1HG1  ILE  68          2HG1      ILE  68 -12.801   0.700   8.769
  469   2HG1  ILE  68          1HG1      ILE  68 -12.714   0.747   7.012
  470   1HG2  ILE  68          1HG2      ILE  68 -14.253   2.748   6.575
  471   2HG2  ILE  68          2HG2      ILE  68 -14.365   3.912   7.894
  472   3HG2  ILE  68          3HG2      ILE  68 -14.688   2.204   8.196
  473   1HD1  ILE  68          1HD1      ILE  68 -10.379   1.513   8.757
  474   2HD1  ILE  68          2HD1      ILE  68 -10.358   1.130   7.042
  475   3HD1  ILE  68          3HD1      ILE  68 -10.646  -0.142   8.225
  476    H    GLY  69           H        GLY  69 -11.436   5.666   8.070
  477   1HA   GLY  69          2HA       GLY  69 -13.598   7.001   6.606
  478   2HA   GLY  69          1HA       GLY  69 -12.590   7.733   7.846
  479    H    MET  70           H        MET  70 -10.039   7.011   6.533
  480    HA   MET  70           HA       MET  70  -9.977   9.218   4.596
  481   1HB   MET  70          2HB       MET  70  -7.907   7.377   5.807
  482   2HB   MET  70          1HB       MET  70  -7.504   8.419   4.444
  483   1HG   MET  70          2HG       MET  70  -8.144  10.399   5.707
  484   2HG   MET  70          1HG       MET  70  -8.702   9.402   7.045
  485   1HE   MET  70          1HE       MET  70  -5.725   8.253   8.914
  486   2HE   MET  70          2HE       MET  70  -6.800   7.324   7.886
  487   3HE   MET  70          3HE       MET  70  -7.451   8.633   8.872
  488    H    LEU  71           H        LEU  71  -9.874   5.729   4.684
  489    HA   LEU  71           HA       LEU  71  -9.123   5.321   1.934
  490   1HB   LEU  71          2HB       LEU  71  -8.819   3.614   3.681
  491   2HB   LEU  71          1HB       LEU  71 -10.550   3.531   3.943
  492    HG   LEU  71           HG       LEU  71  -9.452   1.682   2.527
  493   1HD1  LEU  71          1HD1      LEU  71 -11.550   1.251   1.893
  494   2HD1  LEU  71          2HD1      LEU  71 -11.518   2.544   0.714
  495   3HD1  LEU  71          3HD1      LEU  71 -12.022   2.881   2.363
  496   1HD2  LEU  71          1HD2      LEU  71  -8.121   3.412   1.177
  497   2HD2  LEU  71          2HD2      LEU  71  -9.607   3.716   0.289
  498   3HD2  LEU  71          3HD2      LEU  71  -8.869   2.120   0.258
  499    H    GLU  72           H        GLU  72 -12.182   5.915   3.581
  500    HA   GLU  72           HA       GLU  72 -13.799   5.277   1.227
  501   1HB   GLU  72          2HB       GLU  72 -14.831   5.069   3.414
  502   2HB   GLU  72          1HB       GLU  72 -14.376   6.720   3.842
  503   1HG   GLU  72          2HG       GLU  72 -15.964   7.671   2.388
  504   2HG   GLU  72          1HG       GLU  72 -16.118   6.195   1.431
  505    H    CYS  73           H        CYS  73 -11.668   7.642   2.012
  506    HA   CYS  73           HA       CYS  73 -13.107   9.827   0.540
  507   1HB   CYS  73          2HB       CYS  73 -11.459   9.795   2.880
  508   2HB   CYS  73          1HB       CYS  73 -10.616  10.752   1.662
  509    HG   CYS  73           HG       CYS  73 -13.607  11.403   2.269
  510    H    VAL  74           H        VAL  74 -11.304   7.393  -0.521
  511    HA   VAL  74           HA       VAL  74  -9.197   8.853  -1.914
  512    HB   VAL  74           HB       VAL  74  -8.771   6.708  -3.034
  513   1HG1  VAL  74          1HG1      VAL  74  -8.256   5.421  -1.017
  514   2HG1  VAL  74          2HG1      VAL  74  -9.432   6.357  -0.104
  515   3HG1  VAL  74          3HG1      VAL  74  -7.972   7.132  -0.703
  516   1HG2  VAL  74          1HG2      VAL  74 -11.257   5.794  -1.553
  517   2HG2  VAL  74          2HG2      VAL  74 -10.170   4.768  -2.489
  518   3HG2  VAL  74          3HG2      VAL  74 -11.130   5.998  -3.306
  519    H    THR  75           H        THR  75  -9.155   8.599  -4.457
  520    HA   THR  75           HA       THR  75 -11.768   9.665  -5.415
  521    HB   THR  75           HB       THR  75  -9.039   9.742  -6.723
  522    HG1  THR  75           1HG      THR  75  -9.544  10.976  -4.697
  523   1HG2  THR  75          1HG2      THR  75 -10.235  11.568  -8.072
  524   2HG2  THR  75          2HG2      THR  75 -11.739  10.899  -7.434
  525   3HG2  THR  75          3HG2      THR  75 -10.683   9.902  -8.433
  526    H    ALA  76           H        ALA  76  -9.834   6.743  -5.821
  527    HA   ALA  76           HA       ALA  76 -11.195   6.168  -8.400
  528   1HB   ALA  76          1HB       ALA  76  -9.736   3.882  -7.455
  529   2HB   ALA  76          2HB       ALA  76  -8.753   5.307  -7.135
  530   3HB   ALA  76          3HB       ALA  76  -9.302   4.971  -8.771
  531    H    GLU  77           H        GLU  77 -11.905   3.604  -8.371
  532    HA   GLU  77           HA       GLU  77 -14.258   3.575  -6.792
  533   1HB   GLU  77          2HB       GLU  77 -14.737   2.352  -8.633
  534   2HB   GLU  77          1HB       GLU  77 -13.035   2.194  -9.000
  535   1HG   GLU  77          2HG       GLU  77 -13.985  -0.013  -8.834
  536   2HG   GLU  77          1HG       GLU  77 -12.981   0.201  -7.409
  537    H    LEU  78           H        LEU  78 -14.601   2.658  -4.775
  538    HA   LEU  78           HA       LEU  78 -12.338   1.498  -3.350
  539   1HB   LEU  78          2HB       LEU  78 -14.838   2.658  -2.638
  540   2HB   LEU  78          1HB       LEU  78 -14.902   1.010  -2.030
  541    HG   LEU  78           HG       LEU  78 -12.551   1.462  -1.046
  542   1HD1  LEU  78          1HD1      LEU  78 -12.871   3.891  -2.473
  543   2HD1  LEU  78          2HD1      LEU  78 -11.607   3.483  -1.331
  544   3HD1  LEU  78          3HD1      LEU  78 -13.042   4.330  -0.774
  545   1HD2  LEU  78          1HD2      LEU  78 -15.193   2.567  -0.112
  546   2HD2  LEU  78          2HD2      LEU  78 -13.757   2.977   0.805
  547   3HD2  LEU  78          3HD2      LEU  78 -14.197   1.285   0.580
  548    H    LYS  79           H        LYS  79 -12.471  -0.536  -2.267
  549    HA   LYS  79           HA       LYS  79 -13.845  -2.666  -3.849
  550   1HB   LYS  79          2HB       LYS  79 -10.983  -2.238  -3.085
  551   2HB   LYS  79          1HB       LYS  79 -11.566  -3.898  -3.197
  552   1HG   LYS  79          2HG       LYS  79 -11.991  -1.920  -5.443
  553   2HG   LYS  79          1HG       LYS  79 -10.494  -2.830  -5.306
  554   1HD   LYS  79          2HD       LYS  79 -11.897  -4.948  -5.234
  555   2HD   LYS  79          1HD       LYS  79 -13.288  -3.951  -5.668
  556   1HE   LYS  79          2HE       LYS  79 -12.268  -3.285  -7.744
  557   2HE   LYS  79          1HE       LYS  79 -10.739  -4.041  -7.296
  558   1HZ   LYS  79          1HZ       LYS  79 -12.305  -6.125  -7.049
  559   2HZ   LYS  79          2HZ       LYS  79 -11.630  -5.690  -8.551
  560   3HZ   LYS  79          3HZ       LYS  79 -13.236  -5.273  -8.187
  561    HA   PRO  80           HA       PRO  80 -15.183  -4.175   0.075
  562   1HB   PRO  80          2HB       PRO  80 -14.325  -6.882  -0.085
  563   2HB   PRO  80          1HB       PRO  80 -15.895  -6.249  -0.618
  564   1HG   PRO  80          2HG       PRO  80 -13.460  -6.842  -2.222
  565   2HG   PRO  80          1HG       PRO  80 -15.170  -6.981  -2.671
  566   1HD   PRO  80          2HD       PRO  80 -13.631  -4.955  -3.583
  567   2HD   PRO  80          1HD       PRO  80 -15.352  -4.709  -3.199
  568    H    ASN  81           H        ASN  81 -11.950  -5.037  -1.019
  569    HA   ASN  81           HA       ASN  81 -10.948  -4.756   1.796
  570   1HB   ASN  81          2HB       ASN  81  -9.407  -6.450   1.468
  571   2HB   ASN  81          1HB       ASN  81 -10.716  -7.019   0.438
  572   1HD2  ASN  81          1HD2      ASN  81 -10.369  -5.485  -1.886
  573   2HD2  ASN  81          2HD2      ASN  81  -8.844  -5.813  -2.559
  574    H    SER  82           H        SER  82 -11.341  -2.433   0.132
  575    HA   SER  82           HA       SER  82  -8.891  -1.589  -1.095
  576   1HB   SER  82          2HB       SER  82 -11.551  -0.623  -0.729
  577   2HB   SER  82          1HB       SER  82 -10.472   0.587  -0.064
  578    HG   SER  82           HG       SER  82  -9.596   0.905  -1.967
  579    H    ARG  83           H        ARG  83  -7.179  -0.500  -0.062
  580    HA   ARG  83           HA       ARG  83  -7.467   0.259   2.800
  581   1HB   ARG  83          2HB       ARG  83  -5.424  -1.785   1.869
  582   2HB   ARG  83          1HB       ARG  83  -5.510  -1.083   3.488
  583   1HG   ARG  83          2HG       ARG  83  -7.829  -2.016   3.710
  584   2HG   ARG  83          1HG       ARG  83  -7.605  -2.825   2.157
  585   1HD   ARG  83          2HD       ARG  83  -6.977  -4.502   3.653
  586   2HD   ARG  83          1HD       ARG  83  -5.422  -3.775   3.262
  587    HE   ARG  83           HE       ARG  83  -6.231  -2.352   5.480
  588   1HH1  ARG  83          1HH2      ARG  83  -5.920  -5.690   4.637
  589   2HH1  ARG  83          2HH2      ARG  83  -5.584  -6.197   6.257
  590   1HH2  ARG  83          1HH1      ARG  83  -5.767  -3.012   7.592
  591   2HH2  ARG  83          2HH1      ARG  83  -5.499  -4.690   7.917
  592    H    LEU  84           H        LEU  84  -5.540   1.365   3.623
  593    HA   LEU  84           HA       LEU  84  -4.298   3.029   1.528
  594   1HB   LEU  84          2HB       LEU  84  -4.102   3.136   4.556
  595   2HB   LEU  84          1HB       LEU  84  -3.468   4.345   3.451
  596    HG   LEU  84           HG       LEU  84  -6.390   3.558   3.653
  597   1HD1  LEU  84          1HD1      LEU  84  -5.381   4.801   5.638
  598   2HD1  LEU  84          2HD1      LEU  84  -6.744   5.592   4.852
  599   3HD1  LEU  84          3HD1      LEU  84  -5.102   6.149   4.533
  600   1HD2  LEU  84          1HD2      LEU  84  -6.091   4.399   1.461
  601   2HD2  LEU  84          2HD2      LEU  84  -4.884   5.561   1.980
  602   3HD2  LEU  84          3HD2      LEU  84  -6.576   5.824   2.371
  603    H    CYS  85           H        CYS  85  -1.867   3.384   1.682
  604    HA   CYS  85           HA       CYS  85  -0.548   0.737   2.138
  605   1HB   CYS  85          2HB       CYS  85  -0.631   2.173  -0.117
  606   2HB   CYS  85          1HB       CYS  85   0.810   2.894   0.583
  607    HG   CYS  85           HG       CYS  85   0.534  -0.178   0.031
  608    H    CYS  86           H        CYS  86  -0.640   3.883   3.541
  609    HA   CYS  86           HA       CYS  86   2.176   3.791   4.396
  610   1HB   CYS  86          2HB       CYS  86   1.645   5.829   5.697
  611   2HB   CYS  86          1HB       CYS  86   1.202   5.984   4.003
  612    H    GLN  87           H        GLN  87  -0.917   2.812   5.726
  613    HA   GLN  87           HA       GLN  87   0.333   2.377   8.400
  614   1HB   GLN  87          2HB       GLN  87  -2.098   3.319   7.895
  615   2HB   GLN  87          1HB       GLN  87  -2.511   1.611   7.776
  616   1HG   GLN  87          2HG       GLN  87  -2.867   2.245  10.059
  617   2HG   GLN  87          1HG       GLN  87  -1.383   1.296  10.036
  618   1HE2  GLN  87          1HE2      GLN  87  -1.415   2.850  12.208
  619   2HE2  GLN  87          2HE2      GLN  87  -0.505   4.270  12.013
  620    H    ILE  88           H        ILE  88   0.624   0.775   5.722
  621    HA   ILE  88           HA       ILE  88  -0.071  -1.949   6.772
  622    HB   ILE  88           HB       ILE  88   0.872  -1.054   4.027
  623   1HG1  ILE  88          2HG1      ILE  88  -1.577  -0.663   4.921
  624   2HG1  ILE  88          1HG1      ILE  88  -1.340  -1.318   3.312
  625   1HG2  ILE  88          1HG2      ILE  88   1.786  -3.212   4.259
  626   2HG2  ILE  88          2HG2      ILE  88   0.234  -3.500   3.469
  627   3HG2  ILE  88          3HG2      ILE  88   0.412  -3.793   5.204
  628   1HD1  ILE  88          1HD1      ILE  88  -3.088  -2.514   4.705
  629   2HD1  ILE  88          2HD1      ILE  88  -1.782  -3.070   5.752
  630   3HD1  ILE  88          3HD1      ILE  88  -1.828  -3.557   4.060
  631    H    ILE  89           H        ILE  89   1.455  -3.004   7.886
  632    HA   ILE  89           HA       ILE  89   4.313  -2.199   7.657
  633    HB   ILE  89           HB       ILE  89   3.005  -4.079   9.642
  634   1HG1  ILE  89          2HG1      ILE  89   1.919  -1.924   9.866
  635   2HG1  ILE  89          1HG1      ILE  89   3.063  -2.104  11.194
  636   1HG2  ILE  89          1HG2      ILE  89   5.483  -4.254   9.421
  637   2HG2  ILE  89          2HG2      ILE  89   4.985  -3.626  10.993
  638   3HG2  ILE  89          3HG2      ILE  89   5.605  -2.524   9.765
  639   1HD1  ILE  89          1HD1      ILE  89   3.298  -0.384   8.736
  640   2HD1  ILE  89          2HD1      ILE  89   4.734  -0.864   9.634
  641   3HD1  ILE  89          3HD1      ILE  89   3.470   0.078  10.428
  642    H    MET  90           H        MET  90   5.616  -3.447   6.378
  643    HA   MET  90           HA       MET  90   4.709  -6.055   5.516
  644   1HB   MET  90          2HB       MET  90   6.331  -4.275   4.332
  645   2HB   MET  90          1HB       MET  90   7.562  -5.310   5.053
  646   1HG   MET  90          2HG       MET  90   7.054  -6.194   2.858
  647   2HG   MET  90          1HG       MET  90   6.371  -7.296   4.046
  648   1HE   MET  90          1HE       MET  90   4.437  -8.420   2.642
  649   2HE   MET  90          2HE       MET  90   2.891  -7.669   3.029
  650   3HE   MET  90          3HE       MET  90   4.085  -7.921   4.304
  651    H    THR  91           H        THR  91   5.798  -8.032   5.820
  652    HA   THR  91           HA       THR  91   7.705  -8.286   8.043
  653    HB   THR  91           HB       THR  91   6.190 -10.090   9.064
  654    HG1  THR  91           1HG      THR  91   3.894  -9.410   8.579
  655   1HG2  THR  91          1HG2      THR  91   4.909  -8.476  10.374
  656   2HG2  THR  91          2HG2      THR  91   5.221  -7.229   9.169
  657   3HG2  THR  91          3HG2      THR  91   6.552  -7.895  10.113
  658    HA   PRO  92           HA       PRO  92   9.204 -11.413   5.332
  659   1HB   PRO  92          2HB       PRO  92   9.977 -13.376   7.179
  660   2HB   PRO  92          1HB       PRO  92  10.959 -11.985   6.694
  661   1HG   PRO  92          2HG       PRO  92   9.247 -12.353   9.111
  662   2HG   PRO  92          1HG       PRO  92  10.815 -11.538   8.952
  663   1HD   PRO  92          2HD       PRO  92   8.519 -10.139   9.129
  664   2HD   PRO  92          1HD       PRO  92   9.861  -9.582   8.103
  665    H    GLU  93           H        GLU  93   7.111 -12.680   7.949
  666    HA   GLU  93           HA       GLU  93   6.405 -15.106   6.677
  667   1HB   GLU  93          2HB       GLU  93   4.209 -14.806   8.027
  668   2HB   GLU  93          1HB       GLU  93   5.723 -14.889   8.927
  669   1HG   GLU  93          2HG       GLU  93   5.794 -12.524   9.223
  670   2HG   GLU  93          1HG       GLU  93   4.513 -12.268   8.033
  671    H    LEU  94           H        LEU  94   5.016 -11.842   6.271
  672    HA   LEU  94           HA       LEU  94   3.077 -12.910   4.316
  673   1HB   LEU  94          2HB       LEU  94   3.252 -10.523   5.933
  674   2HB   LEU  94          1HB       LEU  94   3.054 -10.037   4.271
  675    HG   LEU  94           HG       LEU  94   1.143 -11.831   4.230
  676   1HD1  LEU  94          1HD1      LEU  94   2.039 -12.378   6.776
  677   2HD1  LEU  94          2HD1      LEU  94   0.462 -12.797   6.121
  678   3HD1  LEU  94          3HD1      LEU  94   0.649 -11.327   7.088
  679   1HD2  LEU  94          1HD2      LEU  94   0.502  -9.513   6.015
  680   2HD2  LEU  94          2HD2      LEU  94  -0.424 -10.178   4.673
  681   3HD2  LEU  94          3HD2      LEU  94   1.005  -9.206   4.360
  682    H    ASP  95           H        ASP  95   6.157 -12.697   3.967
  683    HA   ASP  95           HA       ASP  95   6.778 -10.853   1.947
  684   1HB   ASP  95          2HB       ASP  95   8.529 -12.423   1.242
  685   2HB   ASP  95          1HB       ASP  95   8.426 -12.398   3.001
  686    H    GLY  96           H        GLY  96   6.341 -10.750  -0.259
  687   1HA   GLY  96          2HA       GLY  96   5.823 -11.779  -2.395
  688   2HA   GLY  96          1HA       GLY  96   4.896 -13.014  -1.546
  689    H    ILE  97           H        ILE  97   4.159 -10.194  -0.030
  690    HA   ILE  97           HA       ILE  97   1.483 -10.177  -0.803
  691    HB   ILE  97           HB       ILE  97   2.397  -9.022   1.175
  692   1HG1  ILE  97          2HG1      ILE  97   0.104  -8.566   0.123
  693   2HG1  ILE  97          1HG1      ILE  97   0.689  -7.423   1.312
  694   1HG2  ILE  97          1HG2      ILE  97   3.142  -6.620   0.841
  695   2HG2  ILE  97          2HG2      ILE  97   3.372  -6.996  -0.841
  696   3HG2  ILE  97          3HG2      ILE  97   4.306  -7.853   0.369
  697   1HD1  ILE  97          1HD1      ILE  97   1.535  -6.506  -1.261
  698   2HD1  ILE  97          2HD1      ILE  97   0.354  -5.796  -0.171
  699   3HD1  ILE  97          3HD1      ILE  97  -0.158  -6.974  -1.371
  700    H    VAL  98           H        VAL  98   0.260  -9.368  -2.432
  701    HA   VAL  98           HA       VAL  98   1.714  -7.937  -4.631
  702    HB   VAL  98           HB       VAL  98  -1.038  -9.126  -4.843
  703   1HG1  VAL  98          1HG1      VAL  98   1.185  -8.970  -6.878
  704   2HG1  VAL  98          2HG1      VAL  98   0.014  -7.674  -6.648
  705   3HG1  VAL  98          3HG1      VAL  98  -0.529  -9.265  -7.166
  706   1HG2  VAL  98          1HG2      VAL  98   1.626 -10.552  -4.945
  707   2HG2  VAL  98          2HG2      VAL  98   0.158 -11.214  -5.667
  708   3HG2  VAL  98          3HG2      VAL  98   0.241 -10.935  -3.926
  709    H    VAL  99           H        VAL  99   1.456  -5.721  -4.507
  710    HA   VAL  99           HA       VAL  99  -1.062  -4.604  -3.379
  711    HB   VAL  99           HB       VAL  99   1.303  -2.943  -4.277
  712   1HG1  VAL  99          1HG1      VAL  99  -0.700  -1.812  -3.463
  713   2HG1  VAL  99          2HG1      VAL  99   0.595  -1.609  -2.284
  714   3HG1  VAL  99          3HG1      VAL  99  -0.692  -2.784  -1.985
  715   1HG2  VAL  99          1HG2      VAL  99   2.546  -3.295  -2.285
  716   2HG2  VAL  99          2HG2      VAL  99   2.180  -4.912  -2.870
  717   3HG2  VAL  99          3HG2      VAL  99   1.253  -4.219  -1.543
  718    H    ASP 100           H        ASP 100  -2.527  -3.831  -4.764
  719    HA   ASP 100           HA       ASP 100  -1.794  -3.364  -7.611
  720   1HB   ASP 100          2HB       ASP 100  -4.206  -4.268  -6.153
  721   2HB   ASP 100          1HB       ASP 100  -4.524  -3.207  -7.534
  722    H    VAL 101           H        VAL 101  -1.336  -1.334  -8.118
  723    HA   VAL 101           HA       VAL 101  -2.538   0.882  -6.537
  724    HB   VAL 101           HB       VAL 101  -0.249   1.069  -8.500
  725   1HG1  VAL 101          1HG1      VAL 101   0.277   3.084  -7.161
  726   2HG1  VAL 101          2HG1      VAL 101  -1.145   2.785  -6.168
  727   3HG1  VAL 101          3HG1      VAL 101  -1.336   3.185  -7.869
  728   1HG2  VAL 101          1HG2      VAL 101   1.195   0.958  -6.439
  729   2HG2  VAL 101          2HG2      VAL 101   0.386  -0.564  -6.815
  730   3HG2  VAL 101          3HG2      VAL 101  -0.233   0.469  -5.527
  731    HA   PRO 102           HA       PRO 102  -5.011   1.602 -10.276
  732   1HB   PRO 102          2HB       PRO 102  -6.457   3.703  -9.435
  733   2HB   PRO 102          1HB       PRO 102  -6.643   2.114  -8.673
  734   1HG   PRO 102          2HG       PRO 102  -5.018   4.439  -7.741
  735   2HG   PRO 102          1HG       PRO 102  -6.175   3.448  -6.838
  736   1HD   PRO 102          2HD       PRO 102  -3.487   2.995  -6.727
  737   2HD   PRO 102          1HD       PRO 102  -4.687   1.692  -6.572
  738    H    ASP 103           H        ASP 103  -5.776   3.695 -11.462
  739    HA   ASP 103           HA       ASP 103  -3.365   5.196 -12.307
  740   1HB   ASP 103          2HB       ASP 103  -4.866   6.077 -14.095
  741   2HB   ASP 103          1HB       ASP 103  -4.826   4.314 -14.066
  742    H    ARG 104           H        ARG 104  -6.070   5.508 -10.257
  743    HA   ARG 104           HA       ARG 104  -5.644   8.468  -9.978
  744   1HB   ARG 104          2HB       ARG 104  -8.159   6.926  -9.256
  745   2HB   ARG 104          1HB       ARG 104  -7.958   8.668  -9.328
  746   1HG   ARG 104          2HG       ARG 104  -7.346   7.335 -11.904
  747   2HG   ARG 104          1HG       ARG 104  -9.003   7.064 -11.370
  748   1HD   ARG 104          2HD       ARG 104  -9.012   9.056 -12.703
  749   2HD   ARG 104          1HD       ARG 104  -9.193   9.572 -11.026
  750    HE   ARG 104           HE       ARG 104  -6.459   9.646 -11.424
  751   1HH1  ARG 104          1HH2      ARG 104  -9.195  10.829 -13.159
  752   2HH1  ARG 104          2HH2      ARG 104  -8.405  12.269 -13.701
  753   1HH2  ARG 104          1HH1      ARG 104  -5.398  11.522 -12.136
  754   2HH2  ARG 104          2HH1      ARG 104  -6.249  12.669 -13.115
  755    H    GLN 105           H        GLN 105  -4.490   8.727  -8.015
  756    HA   GLN 105           HA       GLN 105  -5.267   6.890  -5.774
  757   1HB   GLN 105          2HB       GLN 105  -2.560   8.083  -6.463
  758   2HB   GLN 105          1HB       GLN 105  -2.925   7.235  -4.959
  759   1HG   GLN 105          2HG       GLN 105  -3.473   5.214  -6.167
  760   2HG   GLN 105          1HG       GLN 105  -3.283   6.035  -7.715
  761   1HE2  GLN 105          1HE2      GLN 105  -1.130   6.380  -8.505
  762   2HE2  GLN 105          2HE2      GLN 105   0.243   5.749  -7.734
  763    H    TRP 106           H        TRP 106  -4.664  10.048  -6.974
  764    HA   TRP 106           HA       TRP 106  -5.113  12.189  -6.082
  765   1HB   TRP 106          2HB       TRP 106  -6.953  10.394  -4.804
  766   2HB   TRP 106          1HB       TRP 106  -6.351  11.469  -3.549
  767    HD1  TRP 106           HD       TRP 106  -8.223  13.138  -3.234
  768    HE1  TRP 106           1HE      TRP 106  -9.585  14.698  -4.756
  769    HE3  TRP 106           3HE      TRP 106  -6.503  11.639  -7.817
  770    HZ2  TRP 106           2HZ      TRP 106  -9.878  15.278  -7.541
  771    HZ3  TRP 106           3HZ      TRP 106  -7.340  12.720  -9.877
  772    HH2  TRP 106           HH       TRP 106  -9.025  14.534  -9.750
  Start of MODEL    9
    1   1H    SER   1          1HT       SER   1  10.820  -8.758   4.519
    2   2H    SER   1          2HT       SER   1  11.478  -8.535   2.966
    3   3H    SER   1          3HT       SER   1  11.705 -10.007   3.786
    4    HA   SER   1           HA       SER   1   9.766 -10.828   3.119
    5   1HB   SER   1          2HB       SER   1   7.712  -9.185   3.074
    6   2HB   SER   1          1HB       SER   1   8.378  -9.689   4.618
    7    HG   SER   1           HG       SER   1   9.188  -7.357   3.232
    8    H    LYS   2           H        LYS   2   8.712 -11.036   1.046
    9    HA   LYS   2           HA       LYS   2   9.949  -9.380  -1.037
   10   1HB   LYS   2          2HB       LYS   2   8.577 -12.002  -0.815
   11   2HB   LYS   2          1HB       LYS   2   8.154 -11.115  -2.280
   12   1HG   LYS   2          2HG       LYS   2  11.042 -11.423  -1.441
   13   2HG   LYS   2          1HG       LYS   2  10.227 -12.715  -2.323
   14   1HD   LYS   2          2HD       LYS   2  10.049  -9.901  -3.383
   15   2HD   LYS   2          1HD       LYS   2  11.531 -10.818  -3.643
   16   1HE   LYS   2          2HE       LYS   2  10.440 -12.461  -4.928
   17   2HE   LYS   2          1HE       LYS   2   8.848 -12.029  -4.302
   18   1HZ   LYS   2          1HZ       LYS   2  10.508 -10.219  -5.961
   19   2HZ   LYS   2          2HZ       LYS   2   8.882 -10.008  -5.519
   20   3HZ   LYS   2          3HZ       LYS   2   9.316 -11.244  -6.604
   21    H    VAL   3           H        VAL   3   8.895  -7.550  -1.747
   22    HA   VAL   3           HA       VAL   3   5.920  -7.420  -1.357
   23    HB   VAL   3           HB       VAL   3   8.211  -5.531  -0.937
   24   1HG1  VAL   3          1HG1      VAL   3   6.526  -3.618  -0.932
   25   2HG1  VAL   3          2HG1      VAL   3   5.468  -4.682  -1.864
   26   3HG1  VAL   3          3HG1      VAL   3   7.041  -4.208  -2.511
   27   1HG2  VAL   3          1HG2      VAL   3   5.585  -6.005   0.443
   28   2HG2  VAL   3          2HG2      VAL   3   6.837  -4.931   1.025
   29   3HG2  VAL   3          3HG2      VAL   3   7.133  -6.663   0.926
   30    H    VAL   4           H        VAL   4   4.866  -7.359  -3.257
   31    HA   VAL   4           HA       VAL   4   6.345  -6.432  -5.701
   32    HB   VAL   4           HB       VAL   4   3.948  -8.220  -5.531
   33   1HG1  VAL   4          1HG1      VAL   4   4.509  -6.836  -7.677
   34   2HG1  VAL   4          2HG1      VAL   4   4.144  -8.551  -7.838
   35   3HG1  VAL   4          3HG1      VAL   4   5.816  -8.003  -7.865
   36   1HG2  VAL   4          1HG2      VAL   4   6.859  -8.921  -5.918
   37   2HG2  VAL   4          2HG2      VAL   4   5.518 -10.063  -6.021
   38   3HG2  VAL   4          3HG2      VAL   4   5.896  -9.284  -4.486
   39    H    TYR   5           H        TYR   5   5.594  -4.760  -6.662
   40    HA   TYR   5           HA       TYR   5   3.013  -3.484  -5.855
   41   1HB   TYR   5          2HB       TYR   5   5.602  -2.347  -6.890
   42   2HB   TYR   5          1HB       TYR   5   4.116  -1.407  -6.896
   43    HD1  TYR   5           1HD      TYR   5   6.913  -2.563  -4.943
   44    HD2  TYR   5           2HD      TYR   5   2.895  -1.073  -4.663
   45    HE1  TYR   5           1HE      TYR   5   7.310  -1.931  -2.577
   46    HE2  TYR   5           2HE      TYR   5   3.301  -0.447  -2.299
   47    HH   TYR   5           HH       TYR   5   6.509  -0.648  -0.868
   48    H    VAL   6           H        VAL   6   1.448  -3.705  -7.430
   49    HA   VAL   6           HA       VAL   6   2.354  -4.146 -10.256
   50    HB   VAL   6           HB       VAL   6  -0.444  -4.485  -9.145
   51   1HG1  VAL   6          1HG1      VAL   6   0.007  -4.220 -11.659
   52   2HG1  VAL   6          2HG1      VAL   6  -0.880  -5.662 -11.162
   53   3HG1  VAL   6          3HG1      VAL   6   0.833  -5.774 -11.560
   54   1HG2  VAL   6          1HG2      VAL   6   0.935  -6.012  -7.906
   55   2HG2  VAL   6          2HG2      VAL   6   1.857  -6.438  -9.350
   56   3HG2  VAL   6          3HG2      VAL   6   0.177  -6.952  -9.194
   57    H    SER   7           H        SER   7   2.558  -2.272 -11.264
   58    HA   SER   7           HA       SER   7   1.254   0.150 -10.422
   59   1HB   SER   7          2HB       SER   7   2.424   1.209 -12.184
   60   2HB   SER   7          1HB       SER   7   3.481  -0.108 -11.687
   61    HG   SER   7           HG       SER   7   3.085   0.106 -14.008
   62    H    HIS   8           H        HIS   8   0.169   1.482 -12.222
   63    HA   HIS   8           HA       HIS   8  -2.309   0.094 -12.916
   64   1HB   HIS   8          2HB       HIS   8  -2.240   2.658 -14.224
   65   2HB   HIS   8          1HB       HIS   8  -3.119   2.225 -12.762
   66    HD1  HIS   8           1HD      HIS   8  -0.853   1.876 -10.745
   67    HD2  HIS   8           2HD      HIS   8  -0.969   5.002 -13.509
   68    HE1  HIS   8           1HE      HIS   8   0.591   3.732  -9.798
   69    HE2  HIS   8           2HE      HIS   8   0.533   5.633 -11.474
   70    H    ASP   9           H        ASP   9   0.461   1.445 -14.622
   71    HA   ASP   9           HA       ASP   9  -0.449   0.817 -17.262
   72   1HB   ASP   9          2HB       ASP   9   2.162   0.818 -17.682
   73   2HB   ASP   9          1HB       ASP   9   1.346   2.319 -17.246
   74    H    GLY  10           H        GLY  10   0.280  -1.260 -14.732
   75   1HA   GLY  10          2HA       GLY  10   0.107  -3.644 -14.917
   76   2HA   GLY  10          1HA       GLY  10   0.557  -3.531 -16.624
   77    H    THR  11           H        THR  11   2.805  -1.590 -15.541
   78    HA   THR  11           HA       THR  11   4.837  -3.622 -15.512
   79    HB   THR  11           HB       THR  11   4.861  -0.956 -16.055
   80    HG1  THR  11           1HG      THR  11   6.566  -1.863 -16.836
   81   1HG2  THR  11          1HG2      THR  11   4.799  -0.462 -13.564
   82   2HG2  THR  11          2HG2      THR  11   6.146   0.259 -14.434
   83   3HG2  THR  11          3HG2      THR  11   6.400  -1.188 -13.464
   84    H    ARG  12           H        ARG  12   5.841  -4.555 -13.852
   85    HA   ARG  12           HA       ARG  12   4.803  -4.005 -11.092
   86   1HB   ARG  12          2HB       ARG  12   5.903  -6.548 -12.310
   87   2HB   ARG  12          1HB       ARG  12   5.354  -6.385 -10.638
   88   1HG   ARG  12          2HG       ARG  12   3.113  -6.099 -11.262
   89   2HG   ARG  12          1HG       ARG  12   3.516  -5.577 -12.896
   90   1HD   ARG  12          2HD       ARG  12   3.984  -8.388 -11.872
   91   2HD   ARG  12          1HD       ARG  12   2.551  -7.888 -12.765
   92    HE   ARG  12           HE       ARG  12   4.937  -7.124 -14.177
   93   1HH1  ARG  12          1HH2      ARG  12   3.025  -9.861 -13.289
   94   2HH1  ARG  12          2HH2      ARG  12   3.291 -10.693 -14.786
   95   1HH2  ARG  12          1HH1      ARG  12   5.307  -8.207 -16.118
   96   2HH2  ARG  12          2HH1      ARG  12   4.591  -9.761 -16.396
   97    H    ARG  13           H        ARG  13   6.184  -3.608  -9.417
   98    HA   ARG  13           HA       ARG  13   9.135  -3.872  -9.855
   99   1HB   ARG  13          2HB       ARG  13   8.817  -1.676  -8.094
  100   2HB   ARG  13          1HB       ARG  13   9.315  -1.573  -9.783
  101   1HG   ARG  13          2HG       ARG  13   6.976  -1.364 -10.479
  102   2HG   ARG  13          1HG       ARG  13   6.444  -1.526  -8.809
  103   1HD   ARG  13          2HD       ARG  13   6.890   0.658  -8.362
  104   2HD   ARG  13          1HD       ARG  13   8.448   0.612  -9.184
  105    HE   ARG  13           HE       ARG  13   7.036   0.730 -11.338
  106   1HH1  ARG  13          1HH2      ARG  13   5.952   2.094  -8.318
  107   2HH1  ARG  13          2HH2      ARG  13   5.019   3.315  -9.093
  108   1HH2  ARG  13          1HH1      ARG  13   5.850   2.318 -12.286
  109   2HH2  ARG  13          2HH1      ARG  13   4.962   3.453 -11.325
  110    H    GLU  14           H        GLU  14   9.990  -5.061  -8.190
  111    HA   GLU  14           HA       GLU  14   8.301  -5.425  -5.756
  112   1HB   GLU  14          2HB       GLU  14  10.394  -7.419  -6.563
  113   2HB   GLU  14          1HB       GLU  14   8.868  -7.677  -5.718
  114   1HG   GLU  14          2HG       GLU  14   8.344  -8.513  -7.840
  115   2HG   GLU  14          1HG       GLU  14   7.808  -6.843  -8.002
  116    H    LEU  15           H        LEU  15   9.275  -5.131  -3.721
  117    HA   LEU  15           HA       LEU  15  12.222  -4.538  -3.667
  118   1HB   LEU  15          2HB       LEU  15  10.576  -3.233  -1.554
  119   2HB   LEU  15          1HB       LEU  15  11.899  -2.578  -2.497
  120    HG   LEU  15           HG       LEU  15   9.092  -2.969  -3.431
  121   1HD1  LEU  15          1HD1      LEU  15   9.356  -1.247  -1.666
  122   2HD1  LEU  15          2HD1      LEU  15   8.996  -0.484  -3.207
  123   3HD1  LEU  15          3HD1      LEU  15  10.640  -0.486  -2.599
  124   1HD2  LEU  15          1HD2      LEU  15  10.838  -1.086  -4.912
  125   2HD2  LEU  15          2HD2      LEU  15   9.783  -2.351  -5.534
  126   3HD2  LEU  15          3HD2      LEU  15  11.408  -2.753  -5.003
  127    H    ASP  16           H        ASP  16  13.010  -4.584  -1.411
  128    HA   ASP  16           HA       ASP  16  11.850  -6.880   0.114
  129   1HB   ASP  16          2HB       ASP  16  14.658  -5.804  -0.261
  130   2HB   ASP  16          1HB       ASP  16  14.255  -6.682   1.204
  131    H    VAL  17           H        VAL  17  10.633  -6.008   1.786
  132    HA   VAL  17           HA       VAL  17  11.515  -3.401   2.999
  133    HB   VAL  17           HB       VAL  17   8.714  -4.560   3.234
  134   1HG1  VAL  17          1HG1      VAL  17   8.797  -1.702   2.832
  135   2HG1  VAL  17          2HG1      VAL  17  10.003  -2.089   4.044
  136   3HG1  VAL  17          3HG1      VAL  17   8.325  -2.576   4.274
  137   1HG2  VAL  17          1HG2      VAL  17   9.113  -4.611   0.877
  138   2HG2  VAL  17          2HG2      VAL  17   9.953  -3.069   0.898
  139   3HG2  VAL  17          3HG2      VAL  17   8.214  -3.123   1.171
  140    H    ALA  18           H        ALA  18  12.309  -3.606   5.002
  141    HA   ALA  18           HA       ALA  18  12.475  -6.152   6.299
  142   1HB   ALA  18          1HB       ALA  18  12.888  -3.708   7.963
  143   2HB   ALA  18          2HB       ALA  18  13.881  -3.850   6.514
  144   3HB   ALA  18          3HB       ALA  18  13.932  -5.112   7.748
  145    H    ASP  19           H        ASP  19  11.696  -6.686   8.416
  146    HA   ASP  19           HA       ASP  19   8.888  -6.529   8.714
  147   1HB   ASP  19          2HB       ASP  19   9.266  -7.510  10.913
  148   2HB   ASP  19          1HB       ASP  19  10.348  -8.265   9.751
  149    H    GLY  20           H        GLY  20   7.603  -5.203   9.832
  150   1HA   GLY  20          2HA       GLY  20   6.957  -3.383  11.250
  151   2HA   GLY  20          1HA       GLY  20   8.640  -3.214  11.713
  152    H    VAL  21           H        VAL  21   8.730  -3.195   8.365
  153    HA   VAL  21           HA       VAL  21   8.941  -0.254   8.395
  154    HB   VAL  21           HB       VAL  21   9.418  -2.253   6.187
  155   1HG1  VAL  21          1HG1      VAL  21  10.822  -0.293   5.298
  156   2HG1  VAL  21          2HG1      VAL  21   9.921   0.695   6.450
  157   3HG1  VAL  21          3HG1      VAL  21   9.068  -0.170   5.172
  158   1HG2  VAL  21          1HG2      VAL  21  11.489  -0.851   7.872
  159   2HG2  VAL  21          2HG2      VAL  21  11.748  -2.134   6.684
  160   3HG2  VAL  21          3HG2      VAL  21  10.918  -2.489   8.204
  161    H    SER  22           H        SER  22   7.671   1.073   6.977
  162    HA   SER  22           HA       SER  22   5.039  -0.086   6.323
  163   1HB   SER  22          2HB       SER  22   4.352   2.218   5.955
  164   2HB   SER  22          1HB       SER  22   5.257   2.138   7.462
  165    HG   SER  22           HG       SER  22   6.058   3.106   4.934
  166    H    LEU  23           H        LEU  23   4.340  -0.446   4.229
  167    HA   LEU  23           HA       LEU  23   6.129  -0.840   2.102
  168   1HB   LEU  23          2HB       LEU  23   3.179  -0.219   2.197
  169   2HB   LEU  23          1HB       LEU  23   3.990  -0.500   0.668
  170    HG   LEU  23           HG       LEU  23   4.209  -2.476   2.945
  171   1HD1  LEU  23          1HD1      LEU  23   2.366  -3.723   1.959
  172   2HD1  LEU  23          2HD1      LEU  23   2.196  -2.516   0.688
  173   3HD1  LEU  23          3HD1      LEU  23   1.805  -2.100   2.350
  174   1HD2  LEU  23          1HD2      LEU  23   4.585  -2.641  -0.049
  175   2HD2  LEU  23          2HD2      LEU  23   4.556  -4.041   1.000
  176   3HD2  LEU  23          3HD2      LEU  23   5.826  -2.844   1.175
  177    H    MET  24           H        MET  24   4.675   2.067   3.279
  178    HA   MET  24           HA       MET  24   5.168   3.663   0.906
  179   1HB   MET  24          2HB       MET  24   3.446   4.357   2.439
  180   2HB   MET  24          1HB       MET  24   4.566   4.310   3.789
  181   1HG   MET  24          2HG       MET  24   4.079   6.633   2.938
  182   2HG   MET  24          1HG       MET  24   5.791   6.220   2.932
  183   1HE   MET  24          1HE       MET  24   5.650   8.377   1.660
  184   2HE   MET  24          2HE       MET  24   4.065   8.554   0.911
  185   3HE   MET  24          3HE       MET  24   5.505   8.482  -0.100
  186    H    GLN  25           H        GLN  25   6.990   2.717   3.734
  187    HA   GLN  25           HA       GLN  25   9.013   4.775   3.516
  188   1HB   GLN  25          2HB       GLN  25   8.789   3.711   5.639
  189   2HB   GLN  25          1HB       GLN  25   8.901   2.111   4.922
  190   1HG   GLN  25          2HG       GLN  25  11.006   2.904   6.099
  191   2HG   GLN  25          1HG       GLN  25  11.241   2.404   4.428
  192   1HE2  GLN  25          1HE2      GLN  25  10.541   5.384   6.333
  193   2HE2  GLN  25          2HE2      GLN  25  11.427   6.418   5.321
  194    H    ALA  26           H        ALA  26   9.086   1.237   2.678
  195    HA   ALA  26           HA       ALA  26  11.612   1.497   1.281
  196   1HB   ALA  26          1HB       ALA  26   9.422  -0.561   0.901
  197   2HB   ALA  26          2HB       ALA  26  10.744  -0.675   2.065
  198   3HB   ALA  26          3HB       ALA  26  11.085  -0.714   0.338
  199    H    ALA  27           H        ALA  27   8.314   2.148   0.256
  200    HA   ALA  27           HA       ALA  27   8.780   1.982  -2.565
  201   1HB   ALA  27          1HB       ALA  27   6.788   3.848  -2.336
  202   2HB   ALA  27          2HB       ALA  27   6.726   3.102  -0.744
  203   3HB   ALA  27          3HB       ALA  27   6.513   2.111  -2.177
  204    H    VAL  28           H        VAL  28   8.442   4.921  -0.559
  205    HA   VAL  28           HA       VAL  28   9.311   6.822  -2.408
  206    HB   VAL  28           HB       VAL  28   9.833   6.691   0.576
  207   1HG1  VAL  28          1HG1      VAL  28  10.256   8.918  -1.427
  208   2HG1  VAL  28          2HG1      VAL  28  11.422   8.258  -0.277
  209   3HG1  VAL  28          3HG1      VAL  28  10.064   9.223   0.294
  210   1HG2  VAL  28          1HG2      VAL  28   7.450   6.727  -0.329
  211   2HG2  VAL  28          2HG2      VAL  28   7.815   8.328  -0.975
  212   3HG2  VAL  28          3HG2      VAL  28   7.864   8.044   0.757
  213    H    SER  29           H        SER  29  11.136   4.320  -0.931
  214    HA   SER  29           HA       SER  29  13.748   5.577  -1.478
  215   1HB   SER  29          2HB       SER  29  14.324   4.188   0.221
  216   2HB   SER  29          1HB       SER  29  12.705   3.507   0.185
  217    HG   SER  29           HG       SER  29  14.943   2.328  -0.474
  218    H    ASN  30           H        ASN  30  11.467   3.468  -2.968
  219    HA   ASN  30           HA       ASN  30  13.465   2.635  -5.029
  220   1HB   ASN  30          2HB       ASN  30  10.873   1.424  -4.067
  221   2HB   ASN  30          1HB       ASN  30  11.633   0.952  -5.582
  222   1HD2  ASN  30          1HD2      ASN  30  12.480   1.370  -2.106
  223   2HD2  ASN  30          2HD2      ASN  30  13.555   0.056  -2.054
  224    H    GLY  31           H        GLY  31  11.398   5.085  -4.497
  225   1HA   GLY  31          2HA       GLY  31  10.329   6.547  -5.997
  226   2HA   GLY  31          1HA       GLY  31  11.145   5.664  -7.285
  227    H    ILE  32           H        ILE  32   8.542   4.727  -4.955
  228    HA   ILE  32           HA       ILE  32   7.041   3.665  -7.318
  229    HB   ILE  32           HB       ILE  32   6.993   2.882  -4.408
  230   1HG1  ILE  32          2HG1      ILE  32   8.305   1.787  -6.890
  231   2HG1  ILE  32          1HG1      ILE  32   8.978   2.017  -5.281
  232   1HG2  ILE  32          1HG2      ILE  32   4.754   2.628  -5.520
  233   2HG2  ILE  32          2HG2      ILE  32   5.457   1.099  -5.025
  234   3HG2  ILE  32          3HG2      ILE  32   5.514   1.593  -6.720
  235   1HD1  ILE  32          1HD1      ILE  32   7.303   0.205  -4.540
  236   2HD1  ILE  32          2HD1      ILE  32   8.709  -0.310  -5.471
  237   3HD1  ILE  32          3HD1      ILE  32   7.143  -0.162  -6.246
  238    H    TYR  33           H        TYR  33   6.220   4.970  -4.085
  239    HA   TYR  33           HA       TYR  33   3.635   5.769  -5.196
  240   1HB   TYR  33          2HB       TYR  33   4.835   5.922  -2.429
  241   2HB   TYR  33          1HB       TYR  33   3.302   6.697  -2.820
  242    HD1  TYR  33           1HD      TYR  33   1.713   5.022  -4.383
  243    HD2  TYR  33           2HD      TYR  33   4.617   3.808  -1.458
  244    HE1  TYR  33           1HE      TYR  33   0.574   2.846  -4.154
  245    HE2  TYR  33           2HE      TYR  33   3.466   1.628  -1.228
  246    HH   TYR  33           HH       TYR  33   1.725   0.397  -1.836
  247    H    ASP  34           H        ASP  34   6.201   7.249  -6.119
  248    HA   ASP  34           HA       ASP  34   6.477   9.762  -5.110
  249   1HB   ASP  34          2HB       ASP  34   6.983  10.495  -7.450
  250   2HB   ASP  34          1HB       ASP  34   7.778   8.983  -7.011
  251    H    ILE  35           H        ILE  35   4.437  10.072  -4.277
  252    HA   ILE  35           HA       ILE  35   2.554  11.587  -6.089
  253    HB   ILE  35           HB       ILE  35   1.790   9.845  -3.740
  254   1HG1  ILE  35          2HG1      ILE  35   2.421   8.578  -5.769
  255   2HG1  ILE  35          1HG1      ILE  35   0.705   8.437  -5.444
  256   1HG2  ILE  35          1HG2      ILE  35   0.168  11.606  -5.586
  257   2HG2  ILE  35          2HG2      ILE  35   0.298  11.726  -3.834
  258   3HG2  ILE  35          3HG2      ILE  35  -0.545  10.359  -4.566
  259   1HD1  ILE  35          1HD1      ILE  35   0.546   8.938  -7.676
  260   2HD1  ILE  35          2HD1      ILE  35   2.107   9.747  -7.707
  261   3HD1  ILE  35          3HD1      ILE  35   0.691  10.601  -7.109
  262    H    VAL  36           H        VAL  36   1.384  13.328  -5.097
  263    HA   VAL  36           HA       VAL  36   2.842  15.194  -3.697
  264    HB   VAL  36           HB       VAL  36  -0.142  14.717  -3.431
  265   1HG1  VAL  36          1HG1      VAL  36  -0.137  17.218  -3.025
  266   2HG1  VAL  36          2HG1      VAL  36   1.616  17.119  -2.866
  267   3HG1  VAL  36          3HG1      VAL  36   0.578  16.264  -1.725
  268   1HG2  VAL  36          1HG2      VAL  36   1.499  16.369  -5.379
  269   2HG2  VAL  36          2HG2      VAL  36  -0.260  16.413  -5.263
  270   3HG2  VAL  36          3HG2      VAL  36   0.554  14.931  -5.768
  271    H    GLY  37           H        GLY  37   1.081  12.468  -2.289
  272   1HA   GLY  37          2HA       GLY  37   0.955  11.733  -0.060
  273   2HA   GLY  37          1HA       GLY  37   2.628  12.290   0.025
  274    H    ASP  38           H        ASP  38  -0.716  13.173   0.631
  275    HA   ASP  38           HA       ASP  38  -0.220  15.881   1.446
  276   1HB   ASP  38          2HB       ASP  38  -2.467  14.833   0.861
  277   2HB   ASP  38          1HB       ASP  38  -2.437  14.103   2.467
  278    H    CYS  39           H        CYS  39  -1.171  13.184   3.630
  279    HA   CYS  39           HA       CYS  39  -0.083  14.551   5.917
  280   1HB   CYS  39          2HB       CYS  39  -0.709  12.666   7.194
  281   2HB   CYS  39          1HB       CYS  39  -1.896  12.722   5.900
  282    H    GLY  40           H        GLY  40   1.533  13.198   3.399
  283   1HA   GLY  40          2HA       GLY  40   3.831  12.757   3.134
  284   2HA   GLY  40          1HA       GLY  40   4.054  13.222   4.818
  285    H    GLY  41           H        GLY  41   1.653  10.902   4.696
  286   1HA   GLY  41          2HA       GLY  41   1.837   8.467   4.613
  287   2HA   GLY  41          1HA       GLY  41   3.568   8.611   4.908
  288    H    SER  42           H        SER  42   1.388  10.592   6.754
  289    HA   SER  42           HA       SER  42   2.143   9.071   9.201
  290   1HB   SER  42          2HB       SER  42   1.790  11.050  10.394
  291   2HB   SER  42          1HB       SER  42   2.355  11.672   8.846
  292    HG   SER  42           HG       SER  42   0.503  12.637   8.701
  293    H    ALA  43           H        ALA  43  -0.074   8.439   7.130
  294    HA   ALA  43           HA       ALA  43  -2.253   7.574   7.202
  295   1HB   ALA  43          1HB       ALA  43  -1.092   6.330   9.136
  296   2HB   ALA  43          2HB       ALA  43  -2.854   6.391   9.171
  297   3HB   ALA  43          3HB       ALA  43  -1.914   7.466  10.203
  298    H    SER  44           H        SER  44  -2.500  10.146   6.806
  299    HA   SER  44           HA       SER  44  -4.750  10.946   8.563
  300   1HB   SER  44          2HB       SER  44  -2.288  11.979   9.117
  301   2HB   SER  44          1HB       SER  44  -2.869  13.173   7.966
  302    HG   SER  44           HG       SER  44  -3.947  12.377  10.441
  303    H    CYS  45           H        CYS  45  -4.126  10.146   5.639
  304    HA   CYS  45           HA       CYS  45  -5.924  12.156   4.462
  305   1HB   CYS  45          2HB       CYS  45  -4.502  12.966   2.785
  306   2HB   CYS  45          1HB       CYS  45  -3.446  12.912   4.195
  307    H    ALA  46           H        ALA  46  -5.983  11.499   1.897
  308    HA   ALA  46           HA       ALA  46  -6.300   8.513   1.789
  309   1HB   ALA  46          1HB       ALA  46  -8.378   8.791   0.667
  310   2HB   ALA  46          2HB       ALA  46  -8.097  10.509   0.403
  311   3HB   ALA  46          3HB       ALA  46  -8.439   9.907   2.021
  312    H    THR  47           H        THR  47  -4.071  10.203   0.889
  313    HA   THR  47           HA       THR  47  -4.296  10.307  -2.038
  314    HB   THR  47           HB       THR  47  -1.955  10.858  -0.185
  315    HG1  THR  47           1HG      THR  47  -3.080  12.564   0.220
  316   1HG2  THR  47          1HG2      THR  47  -1.015  10.530  -2.305
  317   2HG2  THR  47          2HG2      THR  47  -1.292  12.272  -2.254
  318   3HG2  THR  47          3HG2      THR  47  -2.405  11.230  -3.142
  319    H    CYS  48           H        CYS  48  -2.977   8.247   0.433
  320    HA   CYS  48           HA       CYS  48  -1.321   6.683  -1.405
  321   1HB   CYS  48          2HB       CYS  48  -1.044   5.220   0.647
  322   2HB   CYS  48          1HB       CYS  48  -0.498   6.889   0.824
  323    H    HIS  49           H        HIS  49  -4.111   6.778  -2.110
  324    HA   HIS  49           HA       HIS  49  -5.585   4.463  -1.273
  325   1HB   HIS  49          2HB       HIS  49  -6.731   6.274  -2.343
  326   2HB   HIS  49          1HB       HIS  49  -5.634   6.266  -3.686
  327    HD1  HIS  49           1HD      HIS  49  -8.054   3.688  -2.162
  328    HD2  HIS  49           2HD      HIS  49  -6.822   5.175  -5.840
  329    HE1  HIS  49           1HE      HIS  49  -9.421   2.467  -3.946
  330    HE2  HIS  49           2HE      HIS  49  -8.610   3.324  -6.174
  331    H    VAL  50           H        VAL  50  -4.777   2.348  -1.574
  332    HA   VAL  50           HA       VAL  50  -3.906   1.623  -4.338
  333    HB   VAL  50           HB       VAL  50  -1.851   0.738  -3.771
  334   1HG1  VAL  50          1HG1      VAL  50  -2.075   2.494  -1.330
  335   2HG1  VAL  50          2HG1      VAL  50  -1.964   3.163  -2.954
  336   3HG1  VAL  50          3HG1      VAL  50  -0.655   2.175  -2.315
  337   1HG2  VAL  50          1HG2      VAL  50  -2.519  -1.006  -2.285
  338   2HG2  VAL  50          2HG2      VAL  50  -3.046   0.139  -1.051
  339   3HG2  VAL  50          3HG2      VAL  50  -1.328  -0.067  -1.387
  340    H    TYR  51           H        TYR  51  -3.719  -0.950  -4.365
  341    HA   TYR  51           HA       TYR  51  -6.004  -2.051  -2.784
  342   1HB   TYR  51          2HB       TYR  51  -5.201  -2.433  -5.653
  343   2HB   TYR  51          1HB       TYR  51  -6.402  -3.416  -4.854
  344    HD1  TYR  51           1HD      TYR  51  -8.490  -2.179  -3.825
  345    HD2  TYR  51           2HD      TYR  51  -5.691  -0.319  -6.527
  346    HE1  TYR  51           1HE      TYR  51 -10.122  -0.389  -4.327
  347    HE2  TYR  51           2HE      TYR  51  -7.346   1.437  -6.992
  348    HH   TYR  51           HH       TYR  51 -10.445   1.226  -6.507
  349    H    VAL  52           H        VAL  52  -5.141  -3.388  -1.420
  350    HA   VAL  52           HA       VAL  52  -2.649  -4.912  -1.954
  351    HB   VAL  52           HB       VAL  52  -4.391  -4.891   0.519
  352   1HG1  VAL  52          1HG1      VAL  52  -3.256  -6.986   0.455
  353   2HG1  VAL  52          2HG1      VAL  52  -2.291  -5.965   1.518
  354   3HG1  VAL  52          3HG1      VAL  52  -1.774  -6.244  -0.138
  355   1HG2  VAL  52          1HG2      VAL  52  -1.608  -3.735   0.215
  356   2HG2  VAL  52          2HG2      VAL  52  -2.771  -3.446   1.506
  357   3HG2  VAL  52          3HG2      VAL  52  -3.048  -2.766  -0.096
  358    H    ASN  53           H        ASN  53  -2.643  -7.058  -2.528
  359    HA   ASN  53           HA       ASN  53  -4.992  -8.334  -3.444
  360   1HB   ASN  53          2HB       ASN  53  -3.102  -9.391  -4.248
  361   2HB   ASN  53          1HB       ASN  53  -2.231  -9.233  -2.721
  362   1HD2  ASN  53          1HD2      ASN  53  -1.652 -11.457  -2.533
  363   2HD2  ASN  53          2HD2      ASN  53  -2.796 -12.692  -2.316
  364    H    GLU  54           H        GLU  54  -6.707  -9.029  -2.309
  365    HA   GLU  54           HA       GLU  54  -7.089  -8.837   0.420
  366   1HB   GLU  54          2HB       GLU  54  -8.905 -10.623   0.068
  367   2HB   GLU  54          1HB       GLU  54  -9.004  -9.176  -0.932
  368   1HG   GLU  54          2HG       GLU  54  -8.030 -10.304  -2.816
  369   2HG   GLU  54          1HG       GLU  54  -7.610 -11.706  -1.825
  370    H    ALA  55           H        ALA  55  -4.827 -10.939  -0.860
  371    HA   ALA  55           HA       ALA  55  -5.354 -13.142   1.024
  372   1HB   ALA  55          1HB       ALA  55  -2.772 -12.945  -0.486
  373   2HB   ALA  55          2HB       ALA  55  -4.256 -13.208  -1.403
  374   3HB   ALA  55          3HB       ALA  55  -3.776 -14.356  -0.155
  375    H    PHE  56           H        PHE  56  -3.523 -10.136   1.130
  376    HA   PHE  56           HA       PHE  56  -1.981 -11.157   3.496
  377   1HB   PHE  56          2HB       PHE  56  -1.475  -8.973   1.452
  378   2HB   PHE  56          1HB       PHE  56  -0.511  -9.182   2.912
  379    HD1  PHE  56           1HD      PHE  56  -1.502 -10.761  -0.293
  380    HD2  PHE  56           2HD      PHE  56   1.037 -10.995   3.122
  381    HE1  PHE  56           1HE      PHE  56  -0.190 -12.569  -1.384
  382    HE2  PHE  56           2HE      PHE  56   2.354 -12.777   2.083
  383    HZ   PHE  56           HZ       PHE  56   1.743 -13.577  -0.199
  384    H    THR  57           H        THR  57  -4.570  -9.338   2.451
  385    HA   THR  57           HA       THR  57  -4.474  -7.069   4.235
  386    HB   THR  57           HB       THR  57  -6.965  -6.976   3.787
  387    HG1  THR  57           1HG      THR  57  -7.358  -9.152   3.510
  388   1HG2  THR  57          1HG2      THR  57  -5.120  -6.019   2.292
  389   2HG2  THR  57          2HG2      THR  57  -6.708  -6.236   1.557
  390   3HG2  THR  57          3HG2      THR  57  -5.419  -7.395   1.234
  391    H    ASP  58           H        ASP  58  -5.937 -10.310   4.473
  392    HA   ASP  58           HA       ASP  58  -7.017  -9.685   7.144
  393   1HB   ASP  58          2HB       ASP  58  -7.971 -11.928   7.041
  394   2HB   ASP  58          1HB       ASP  58  -8.269 -11.111   5.512
  395    H    LYS  59           H        LYS  59  -4.028 -10.373   6.069
  396    HA   LYS  59           HA       LYS  59  -3.333 -12.109   8.413
  397   1HB   LYS  59          2HB       LYS  59  -1.466 -11.447   6.143
  398   2HB   LYS  59          1HB       LYS  59  -1.500 -12.863   7.195
  399   1HG   LYS  59          2HG       LYS  59  -3.758 -13.437   6.153
  400   2HG   LYS  59          1HG       LYS  59  -3.446 -12.170   4.968
  401   1HD   LYS  59          2HD       LYS  59  -2.797 -14.430   4.135
  402   2HD   LYS  59          1HD       LYS  59  -1.419 -13.337   4.220
  403   1HE   LYS  59          2HE       LYS  59  -0.441 -14.518   5.963
  404   2HE   LYS  59          1HE       LYS  59  -1.992 -15.071   6.600
  405   1HZ   LYS  59          1HZ       LYS  59  -1.343 -16.011   3.939
  406   2HZ   LYS  59          2HZ       LYS  59  -2.002 -16.849   5.263
  407   3HZ   LYS  59          3HZ       LYS  59  -0.325 -16.590   5.167
  408    H    VAL  60           H        VAL  60  -2.367  -9.213   6.626
  409    HA   VAL  60           HA       VAL  60  -0.456  -8.362   8.624
  410    HB   VAL  60           HB       VAL  60  -1.108  -7.647   6.009
  411   1HG1  VAL  60          1HG1      VAL  60  -2.911  -6.145   7.065
  412   2HG1  VAL  60          2HG1      VAL  60  -1.883  -5.465   5.822
  413   3HG1  VAL  60          3HG1      VAL  60  -1.571  -5.091   7.516
  414   1HG2  VAL  60          1HG2      VAL  60   0.615  -5.571   6.940
  415   2HG2  VAL  60          2HG2      VAL  60   1.059  -7.046   6.082
  416   3HG2  VAL  60          3HG2      VAL  60   1.027  -7.021   7.839
  417    HA   PRO  61           HA       PRO  61  -3.043  -6.811  11.732
  418   1HB   PRO  61          2HB       PRO  61  -2.202  -4.132  12.122
  419   2HB   PRO  61          1HB       PRO  61  -1.552  -5.576  12.919
  420   1HG   PRO  61          2HG       PRO  61  -0.417  -3.985  10.727
  421   2HG   PRO  61          1HG       PRO  61   0.386  -5.093  11.846
  422   1HD   PRO  61          2HD       PRO  61  -0.156  -5.623   9.165
  423   2HD   PRO  61          1HD       PRO  61   0.233  -6.856  10.357
  424    H    ALA  62           H        ALA  62  -5.141  -6.542  11.329
  425    HA   ALA  62           HA       ALA  62  -6.471  -5.329   9.328
  426   1HB   ALA  62          1HB       ALA  62  -7.648  -6.641  10.984
  427   2HB   ALA  62          2HB       ALA  62  -8.381  -5.038  10.935
  428   3HB   ALA  62          3HB       ALA  62  -7.279  -5.467  12.243
  429    H    ALA  63           H        ALA  63  -6.984  -3.419   8.747
  430    HA   ALA  63           HA       ALA  63  -5.534  -1.119   9.582
  431   1HB   ALA  63          1HB       ALA  63  -7.253   0.102   8.141
  432   2HB   ALA  63          2HB       ALA  63  -7.963  -1.479   7.837
  433   3HB   ALA  63          3HB       ALA  63  -6.300  -1.147   7.355
  434    H    ASN  64           H        ASN  64  -6.092   0.652  10.706
  435    HA   ASN  64           HA       ASN  64  -8.130   0.313  12.809
  436   1HB   ASN  64          2HB       ASN  64  -7.183   2.777  13.375
  437   2HB   ASN  64          1HB       ASN  64  -6.303   1.314  13.808
  438   1HD2  ASN  64          1HD2      ASN  64  -6.109   4.228  12.010
  439   2HD2  ASN  64          2HD2      ASN  64  -4.687   3.873  11.154
  440    H    GLU  65           H        GLU  65  -9.671   2.002  13.344
  441    HA   GLU  65           HA       GLU  65 -11.483   2.566  11.278
  442   1HB   GLU  65          2HB       GLU  65 -12.629   4.004  12.879
  443   2HB   GLU  65          1HB       GLU  65 -12.028   2.563  13.699
  444   1HG   GLU  65          2HG       GLU  65  -9.962   3.919  14.316
  445   2HG   GLU  65          1HG       GLU  65 -10.832   5.343  13.743
  446    H    ARG  66           H        ARG  66  -8.562   4.315  11.890
  447    HA   ARG  66           HA       ARG  66  -9.564   6.858  10.891
  448   1HB   ARG  66          2HB       ARG  66  -6.705   5.867  11.095
  449   2HB   ARG  66          1HB       ARG  66  -7.227   7.538  10.951
  450   1HG   ARG  66          2HG       ARG  66  -8.115   5.781  13.250
  451   2HG   ARG  66          1HG       ARG  66  -6.623   6.710  13.310
  452   1HD   ARG  66          2HD       ARG  66  -8.799   8.432  12.422
  453   2HD   ARG  66          1HD       ARG  66  -9.223   7.643  13.942
  454    HE   ARG  66           HE       ARG  66  -6.525   8.805  13.872
  455   1HH1  ARG  66          1HH2      ARG  66  -9.859   9.088  14.739
  456   2HH1  ARG  66          2HH2      ARG  66  -9.615  10.493  15.713
  457   1HH2  ARG  66          1HH1      ARG  66  -6.208  10.645  15.130
  458   2HH2  ARG  66          2HH1      ARG  66  -7.551  11.382  15.939
  459    H    GLU  67           H        GLU  67  -8.052   3.988   9.555
  460    HA   GLU  67           HA       GLU  67  -7.444   5.058   6.947
  461   1HB   GLU  67          2HB       GLU  67  -6.457   2.984   7.956
  462   2HB   GLU  67          1HB       GLU  67  -8.040   2.226   7.818
  463   1HG   GLU  67          2HG       GLU  67  -7.728   3.056   5.238
  464   2HG   GLU  67          1HG       GLU  67  -6.041   2.830   5.681
  465    H    ILE  68           H        ILE  68 -10.161   3.208   8.305
  466    HA   ILE  68           HA       ILE  68 -11.657   2.799   5.970
  467    HB   ILE  68           HB       ILE  68 -12.419   3.198   8.865
  468   1HG1  ILE  68          2HG1      ILE  68 -12.860   0.829   8.808
  469   2HG1  ILE  68          1HG1      ILE  68 -12.724   0.790   7.052
  470   1HG2  ILE  68          1HG2      ILE  68 -14.371   4.010   7.761
  471   2HG2  ILE  68          2HG2      ILE  68 -14.715   2.321   8.130
  472   3HG2  ILE  68          3HG2      ILE  68 -14.252   2.791   6.494
  473   1HD1  ILE  68          1HD1      ILE  68 -10.697  -0.072   8.295
  474   2HD1  ILE  68          2HD1      ILE  68 -10.441   1.567   8.880
  475   3HD1  ILE  68          3HD1      ILE  68 -10.355   1.222   7.152
  476    H    GLY  69           H        GLY  69 -11.614   5.643   8.125
  477   1HA   GLY  69          2HA       GLY  69 -13.635   7.054   6.593
  478   2HA   GLY  69          1HA       GLY  69 -12.595   7.771   7.824
  479    H    MET  70           H        MET  70 -10.102   6.847   6.426
  480    HA   MET  70           HA       MET  70  -9.900   9.109   4.580
  481   1HB   MET  70          2HB       MET  70  -7.988   6.968   5.544
  482   2HB   MET  70          1HB       MET  70  -7.545   8.093   4.259
  483   1HG   MET  70          2HG       MET  70  -8.045   9.993   5.770
  484   2HG   MET  70          1HG       MET  70  -8.430   8.853   7.058
  485   1HE   MET  70          1HE       MET  70  -5.274   7.874   8.609
  486   2HE   MET  70          2HE       MET  70  -6.620   6.980   7.923
  487   3HE   MET  70          3HE       MET  70  -6.925   8.472   8.801
  488    H    LEU  71           H        LEU  71 -10.428   5.679   4.462
  489    HA   LEU  71           HA       LEU  71  -9.746   5.291   1.677
  490   1HB   LEU  71          2HB       LEU  71 -11.184   3.755   3.811
  491   2HB   LEU  71          1HB       LEU  71 -11.491   3.282   2.146
  492    HG   LEU  71           HG       LEU  71  -8.667   3.625   3.175
  493   1HD1  LEU  71          1HD1      LEU  71  -8.668   1.162   3.584
  494   2HD1  LEU  71          2HD1      LEU  71 -10.407   1.144   3.299
  495   3HD1  LEU  71          3HD1      LEU  71  -9.749   2.028   4.676
  496   1HD2  LEU  71          1HD2      LEU  71  -9.981   2.204   0.849
  497   2HD2  LEU  71          2HD2      LEU  71  -8.350   1.799   1.358
  498   3HD2  LEU  71          3HD2      LEU  71  -8.718   3.424   0.795
  499    H    GLU  72           H        GLU  72 -12.593   6.451   3.395
  500    HA   GLU  72           HA       GLU  72 -14.317   6.214   1.033
  501   1HB   GLU  72          2HB       GLU  72 -15.336   6.012   3.225
  502   2HB   GLU  72          1HB       GLU  72 -14.631   7.540   3.760
  503   1HG   GLU  72          2HG       GLU  72 -17.059   7.707   3.123
  504   2HG   GLU  72          1HG       GLU  72 -16.018   8.778   2.191
  505    H    CYS  73           H        CYS  73 -11.939   8.301   2.174
  506    HA   CYS  73           HA       CYS  73 -13.013  10.692   0.758
  507   1HB   CYS  73          2HB       CYS  73 -11.343  10.271   3.053
  508   2HB   CYS  73          1HB       CYS  73 -10.392  11.162   1.873
  509    HG   CYS  73           HG       CYS  73 -12.917  12.211   3.305
  510    H    VAL  74           H        VAL  74 -11.548   8.016  -0.333
  511    HA   VAL  74           HA       VAL  74  -9.283   9.127  -1.787
  512    HB   VAL  74           HB       VAL  74  -9.267   6.926  -2.866
  513   1HG1  VAL  74          1HG1      VAL  74  -8.207   6.972  -0.728
  514   2HG1  VAL  74          2HG1      VAL  74  -9.226   5.536  -0.715
  515   3HG1  VAL  74          3HG1      VAL  74  -9.751   6.996   0.115
  516   1HG2  VAL  74          1HG2      VAL  74 -11.386   6.116  -3.271
  517   2HG2  VAL  74          2HG2      VAL  74 -12.081   6.937  -1.872
  518   3HG2  VAL  74          3HG2      VAL  74 -11.221   5.428  -1.667
  519    H    THR  75           H        THR  75  -9.275   8.948  -4.254
  520    HA   THR  75           HA       THR  75 -11.791  10.135  -5.319
  521    HB   THR  75           HB       THR  75  -9.131   9.998  -6.748
  522    HG1  THR  75           1HG      THR  75  -9.502  11.079  -4.426
  523   1HG2  THR  75          1HG2      THR  75 -11.489  11.906  -6.829
  524   2HG2  THR  75          2HG2      THR  75 -11.065  10.717  -8.062
  525   3HG2  THR  75          3HG2      THR  75 -10.004  12.091  -7.762
  526    H    ALA  76           H        ALA  76 -10.110   7.072  -5.479
  527    HA   ALA  76           HA       ALA  76 -11.363   6.491  -8.131
  528   1HB   ALA  76          1HB       ALA  76  -9.741   4.330  -7.065
  529   2HB   ALA  76          2HB       ALA  76  -8.855   5.848  -6.957
  530   3HB   ALA  76          3HB       ALA  76  -9.471   5.299  -8.513
  531    H    GLU  77           H        GLU  77 -12.006   3.910  -8.127
  532    HA   GLU  77           HA       GLU  77 -14.300   3.740  -6.419
  533   1HB   GLU  77          2HB       GLU  77 -14.888   2.505  -8.240
  534   2HB   GLU  77          1HB       GLU  77 -13.221   2.526  -8.781
  535   1HG   GLU  77          2HG       GLU  77 -12.728   0.499  -7.511
  536   2HG   GLU  77          1HG       GLU  77 -14.352   0.507  -6.820
  537    H    LEU  78           H        LEU  78 -14.439   2.798  -4.427
  538    HA   LEU  78           HA       LEU  78 -12.049   1.492  -3.317
  539   1HB   LEU  78          2HB       LEU  78 -14.044   2.939  -2.118
  540   2HB   LEU  78          1HB       LEU  78 -14.578   1.299  -1.746
  541    HG   LEU  78           HG       LEU  78 -12.201   0.830  -0.977
  542   1HD1  LEU  78          1HD1      LEU  78 -11.750   3.395  -2.096
  543   2HD1  LEU  78          2HD1      LEU  78 -10.592   2.326  -1.325
  544   3HD1  LEU  78          3HD1      LEU  78 -11.445   3.527  -0.364
  545   1HD2  LEU  78          1HD2      LEU  78 -12.637   1.510   1.195
  546   2HD2  LEU  78          2HD2      LEU  78 -14.251   1.580   0.493
  547   3HD2  LEU  78          3HD2      LEU  78 -13.311   3.059   0.689
  548    H    LYS  79           H        LYS  79 -12.001  -0.502  -2.340
  549    HA   LYS  79           HA       LYS  79 -13.615  -2.587  -3.750
  550   1HB   LYS  79          2HB       LYS  79 -10.714  -2.230  -3.068
  551   2HB   LYS  79          1HB       LYS  79 -11.340  -3.867  -3.252
  552   1HG   LYS  79          2HG       LYS  79 -11.768  -1.750  -5.359
  553   2HG   LYS  79          1HG       LYS  79 -10.309  -2.724  -5.321
  554   1HD   LYS  79          2HD       LYS  79 -11.809  -4.783  -5.318
  555   2HD   LYS  79          1HD       LYS  79 -13.152  -3.700  -5.684
  556   1HE   LYS  79          2HE       LYS  79 -12.102  -2.968  -7.725
  557   2HE   LYS  79          1HE       LYS  79 -10.626  -3.855  -7.343
  558   1HZ   LYS  79          1HZ       LYS  79 -13.017  -5.462  -7.292
  559   2HZ   LYS  79          2HZ       LYS  79 -11.512  -5.775  -8.015
  560   3HZ   LYS  79          3HZ       LYS  79 -12.662  -4.818  -8.818
  561    HA   PRO  80           HA       PRO  80 -14.737  -4.181   0.240
  562   1HB   PRO  80          2HB       PRO  80 -14.065  -6.905  -0.066
  563   2HB   PRO  80          1HB       PRO  80 -15.603  -6.167  -0.550
  564   1HG   PRO  80          2HG       PRO  80 -13.214  -6.813  -2.216
  565   2HG   PRO  80          1HG       PRO  80 -14.936  -6.912  -2.628
  566   1HD   PRO  80          2HD       PRO  80 -13.394  -4.895  -3.535
  567   2HD   PRO  80          1HD       PRO  80 -15.092  -4.621  -3.088
  568    H    ASN  81           H        ASN  81 -11.653  -5.243  -1.110
  569    HA   ASN  81           HA       ASN  81 -10.422  -5.143   1.619
  570   1HB   ASN  81          2HB       ASN  81  -9.030  -6.909   1.050
  571   2HB   ASN  81          1HB       ASN  81 -10.436  -7.315   0.076
  572   1HD2  ASN  81          1HD2      ASN  81  -9.923  -5.166  -1.926
  573   2HD2  ASN  81          2HD2      ASN  81  -8.565  -5.668  -2.814
  574    H    SER  82           H        SER  82 -10.821  -2.719  -0.022
  575    HA   SER  82           HA       SER  82  -8.409  -1.997  -1.391
  576   1HB   SER  82          2HB       SER  82 -10.937  -0.889  -0.797
  577   2HB   SER  82          1HB       SER  82  -9.741   0.249  -0.195
  578    HG   SER  82           HG       SER  82  -8.989   0.545  -2.150
  579    H    ARG  83           H        ARG  83  -6.646  -0.833  -0.558
  580    HA   ARG  83           HA       ARG  83  -6.541  -0.367   2.386
  581   1HB   ARG  83          2HB       ARG  83  -5.147  -2.467   0.828
  582   2HB   ARG  83          1HB       ARG  83  -4.125  -1.602   1.956
  583   1HG   ARG  83          2HG       ARG  83  -6.771  -2.576   2.975
  584   2HG   ARG  83          1HG       ARG  83  -5.532  -3.780   2.688
  585   1HD   ARG  83          2HD       ARG  83  -4.156  -2.972   4.372
  586   2HD   ARG  83          1HD       ARG  83  -4.763  -1.324   4.223
  587    HE   ARG  83           HE       ARG  83  -6.589  -1.887   5.644
  588   1HH1  ARG  83          1HH2      ARG  83  -4.688  -4.641   4.772
  589   2HH1  ARG  83          2HH2      ARG  83  -5.341  -5.639   6.021
  590   1HH2  ARG  83          1HH1      ARG  83  -7.442  -3.186   7.258
  591   2HH2  ARG  83          2HH1      ARG  83  -6.900  -4.822   7.431
  592    H    LEU  84           H        LEU  84  -3.947   0.223   2.729
  593    HA   LEU  84           HA       LEU  84  -3.196   2.251   0.689
  594   1HB   LEU  84          2HB       LEU  84  -2.958   3.981   2.301
  595   2HB   LEU  84          1HB       LEU  84  -4.574   3.335   2.499
  596    HG   LEU  84           HG       LEU  84  -2.154   2.740   4.234
  597   1HD1  LEU  84          1HD1      LEU  84  -3.002   4.846   4.870
  598   2HD1  LEU  84          2HD1      LEU  84  -3.803   3.731   5.973
  599   3HD1  LEU  84          3HD1      LEU  84  -4.674   4.367   4.581
  600   1HD2  LEU  84          1HD2      LEU  84  -4.893   1.495   4.057
  601   2HD2  LEU  84          2HD2      LEU  84  -4.072   1.577   5.613
  602   3HD2  LEU  84          3HD2      LEU  84  -3.330   0.710   4.279
  603    H    CYS  85           H        CYS  85  -0.945   3.264   1.495
  604    HA   CYS  85           HA       CYS  85   0.779   0.896   2.118
  605   1HB   CYS  85          2HB       CYS  85   2.529   2.078   0.901
  606   2HB   CYS  85          1HB       CYS  85   1.073   1.955  -0.079
  607    HG   CYS  85           HG       CYS  85   2.349   4.536   0.731
  608    H    CYS  86           H        CYS  86   0.047   4.131   3.337
  609    HA   CYS  86           HA       CYS  86   2.549   4.197   4.900
  610   1HB   CYS  86          2HB       CYS  86   1.859   6.361   5.646
  611   2HB   CYS  86          1HB       CYS  86   1.463   6.255   3.930
  612    H    GLN  87           H        GLN  87   0.024   2.281   5.418
  613    HA   GLN  87           HA       GLN  87   0.286   2.559   8.390
  614   1HB   GLN  87          2HB       GLN  87  -1.901   3.564   7.310
  615   2HB   GLN  87          1HB       GLN  87  -2.397   1.877   7.208
  616   1HG   GLN  87          2HG       GLN  87  -2.009   1.613   9.631
  617   2HG   GLN  87          1HG       GLN  87  -1.514   3.303   9.736
  618   1HE2  GLN  87          1HE2      GLN  87  -4.290   1.159   9.357
  619   2HE2  GLN  87          2HE2      GLN  87  -5.473   2.367   9.498
  620    H    ILE  88           H        ILE  88   1.073   0.694   6.041
  621    HA   ILE  88           HA       ILE  88   0.157  -1.883   7.326
  622    HB   ILE  88           HB       ILE  88   1.091  -1.510   4.469
  623   1HG1  ILE  88          2HG1      ILE  88  -1.656  -1.669   5.739
  624   2HG1  ILE  88          1HG1      ILE  88  -0.985  -0.312   4.833
  625   1HG2  ILE  88          1HG2      ILE  88  -0.353  -3.785   5.843
  626   2HG2  ILE  88          2HG2      ILE  88   1.379  -3.785   5.539
  627   3HG2  ILE  88          3HG2      ILE  88   0.249  -3.779   4.192
  628   1HD1  ILE  88          1HD1      ILE  88  -1.707  -3.046   3.761
  629   2HD1  ILE  88          2HD1      ILE  88  -0.797  -1.847   2.843
  630   3HD1  ILE  88          3HD1      ILE  88  -2.440  -1.501   3.368
  631    H    ILE  89           H        ILE  89   1.642  -3.072   8.292
  632    HA   ILE  89           HA       ILE  89   4.522  -2.411   7.964
  633    HB   ILE  89           HB       ILE  89   2.807  -3.552  10.130
  634   1HG1  ILE  89          2HG1      ILE  89   4.207  -2.153  11.542
  635   2HG1  ILE  89          1HG1      ILE  89   5.342  -1.890  10.217
  636   1HG2  ILE  89          1HG2      ILE  89   4.243  -5.444   9.973
  637   2HG2  ILE  89          2HG2      ILE  89   4.924  -4.460  11.268
  638   3HG2  ILE  89          3HG2      ILE  89   5.667  -4.448   9.657
  639   1HD1  ILE  89          1HD1      ILE  89   3.504  -0.077  10.751
  640   2HD1  ILE  89          2HD1      ILE  89   2.450  -1.152   9.834
  641   3HD1  ILE  89          3HD1      ILE  89   3.889  -0.467   9.073
  642    H    MET  90           H        MET  90   5.660  -3.661   6.628
  643    HA   MET  90           HA       MET  90   4.650  -6.161   5.622
  644   1HB   MET  90          2HB       MET  90   6.344  -4.418   4.565
  645   2HB   MET  90          1HB       MET  90   7.552  -5.430   5.361
  646   1HG   MET  90          2HG       MET  90   7.239  -6.322   3.163
  647   2HG   MET  90          1HG       MET  90   6.434  -7.427   4.267
  648   1HE   MET  90          1HE       MET  90   4.507  -8.503   2.679
  649   2HE   MET  90          2HE       MET  90   3.003  -7.681   3.082
  650   3HE   MET  90          3HE       MET  90   4.181  -8.016   4.341
  651    H    THR  91           H        THR  91   5.668  -8.252   5.890
  652    HA   THR  91           HA       THR  91   7.553  -8.624   8.099
  653    HB   THR  91           HB       THR  91   5.862 -10.438   9.032
  654    HG1  THR  91           1HG      THR  91   3.901  -8.614   8.419
  655   1HG2  THR  91          1HG2      THR  91   6.701  -8.398  10.240
  656   2HG2  THR  91          2HG2      THR  91   5.070  -8.892  10.684
  657   3HG2  THR  91          3HG2      THR  91   5.308  -7.524   9.593
  658    HA   PRO  92           HA       PRO  92   8.924 -11.819   5.417
  659   1HB   PRO  92          2HB       PRO  92   9.518 -13.832   7.302
  660   2HB   PRO  92          1HB       PRO  92  10.607 -12.536   6.792
  661   1HG   PRO  92          2HG       PRO  92   8.937 -12.748   9.240
  662   2HG   PRO  92          1HG       PRO  92  10.508 -11.960   9.001
  663   1HD   PRO  92          2HD       PRO  92   8.188 -10.556   9.210
  664   2HD   PRO  92          1HD       PRO  92   9.556  -9.991   8.227
  665    H    GLU  93           H        GLU  93   6.705 -13.057   7.947
  666    HA   GLU  93           HA       GLU  93   5.901 -15.395   6.502
  667   1HB   GLU  93          2HB       GLU  93   3.631 -14.824   7.906
  668   2HB   GLU  93          1HB       GLU  93   5.050 -15.560   8.641
  669   1HG   GLU  93          2HG       GLU  93   4.836 -12.559   8.470
  670   2HG   GLU  93          1HG       GLU  93   3.997 -13.432   9.749
  671    H    LEU  94           H        LEU  94   4.934 -12.054   6.302
  672    HA   LEU  94           HA       LEU  94   2.759 -12.631   4.383
  673   1HB   LEU  94          2HB       LEU  94   3.838 -10.018   5.492
  674   2HB   LEU  94          1HB       LEU  94   2.364 -10.165   4.578
  675    HG   LEU  94           HG       LEU  94   2.982 -11.165   7.351
  676   1HD1  LEU  94          1HD1      LEU  94   0.906 -10.030   7.887
  677   2HD1  LEU  94          2HD1      LEU  94   0.615  -9.686   6.173
  678   3HD1  LEU  94          3HD1      LEU  94   1.984  -8.940   7.017
  679   1HD2  LEU  94          1HD2      LEU  94   0.702 -12.292   7.274
  680   2HD2  LEU  94          2HD2      LEU  94   1.983 -13.132   6.421
  681   3HD2  LEU  94          3HD2      LEU  94   0.794 -12.187   5.515
  682    H    ASP  95           H        ASP  95   5.917 -12.716   4.073
  683    HA   ASP  95           HA       ASP  95   6.667 -10.988   1.992
  684   1HB   ASP  95          2HB       ASP  95   8.315 -12.732   1.398
  685   2HB   ASP  95          1HB       ASP  95   8.212 -12.540   3.151
  686    H    GLY  96           H        GLY  96   6.253 -10.962  -0.174
  687   1HA   GLY  96          2HA       GLY  96   5.736 -12.051  -2.303
  688   2HA   GLY  96          1HA       GLY  96   4.713 -13.189  -1.425
  689    H    ILE  97           H        ILE  97   4.135 -10.328   0.008
  690    HA   ILE  97           HA       ILE  97   1.485 -10.126  -0.810
  691    HB   ILE  97           HB       ILE  97   2.330  -8.994   1.162
  692   1HG1  ILE  97          2HG1      ILE  97   1.140  -6.978  -0.756
  693   2HG1  ILE  97          1HG1      ILE  97   0.207  -8.256   0.016
  694   1HG2  ILE  97          1HG2      ILE  97   3.624  -7.117  -0.831
  695   2HG2  ILE  97          2HG2      ILE  97   4.452  -8.150   0.326
  696   3HG2  ILE  97          3HG2      ILE  97   3.468  -6.801   0.878
  697   1HD1  ILE  97          1HD1      ILE  97   0.063  -6.127   1.284
  698   2HD1  ILE  97          2HD1      ILE  97   1.814  -6.147   1.482
  699   3HD1  ILE  97          3HD1      ILE  97   0.826  -7.401   2.225
  700    H    VAL  98           H        VAL  98   0.349  -9.302  -2.444
  701    HA   VAL  98           HA       VAL  98   1.842  -7.907  -4.632
  702    HB   VAL  98           HB       VAL  98  -0.929  -9.074  -4.843
  703   1HG1  VAL  98          1HG1      VAL  98   1.343  -8.636  -6.804
  704   2HG1  VAL  98          2HG1      VAL  98  -0.155  -7.708  -6.712
  705   3HG1  VAL  98          3HG1      VAL  98  -0.194  -9.401  -7.202
  706   1HG2  VAL  98          1HG2      VAL  98   0.216 -11.177  -5.655
  707   2HG2  VAL  98          2HG2      VAL  98   0.396 -10.882  -3.922
  708   3HG2  VAL  98          3HG2      VAL  98   1.728 -10.524  -5.022
  709    H    VAL  99           H        VAL  99   1.631  -5.713  -4.465
  710    HA   VAL  99           HA       VAL  99  -0.892  -4.546  -3.395
  711    HB   VAL  99           HB       VAL  99   1.582  -2.973  -4.100
  712   1HG1  VAL  99          1HG1      VAL  99  -0.517  -2.798  -1.904
  713   2HG1  VAL  99          2HG1      VAL  99  -0.414  -1.768  -3.331
  714   3HG1  VAL  99          3HG1      VAL  99   0.835  -1.678  -2.085
  715   1HG2  VAL  99          1HG2      VAL  99   2.620  -4.695  -2.866
  716   2HG2  VAL  99          2HG2      VAL  99   1.250  -4.868  -1.771
  717   3HG2  VAL  99          3HG2      VAL  99   2.298  -3.455  -1.664
  718    H    ASP 100           H        ASP 100  -2.263  -3.644  -4.781
  719    HA   ASP 100           HA       ASP 100  -1.415  -3.169  -7.599
  720   1HB   ASP 100          2HB       ASP 100  -3.883  -4.090  -6.268
  721   2HB   ASP 100          1HB       ASP 100  -4.150  -2.999  -7.631
  722    H    VAL 101           H        VAL 101  -1.058  -1.176  -8.213
  723    HA   VAL 101           HA       VAL 101  -2.195   1.085  -6.649
  724    HB   VAL 101           HB       VAL 101   0.020   1.193  -8.701
  725   1HG1  VAL 101          1HG1      VAL 101  -1.051   3.329  -8.069
  726   2HG1  VAL 101          2HG1      VAL 101   0.606   3.246  -7.476
  727   3HG1  VAL 101          3HG1      VAL 101  -0.743   2.976  -6.370
  728   1HG2  VAL 101          1HG2      VAL 101   0.125   0.632  -5.726
  729   2HG2  VAL 101          2HG2      VAL 101   1.526   1.145  -6.661
  730   3HG2  VAL 101          3HG2      VAL 101   0.737  -0.390  -7.026
  731    HA   PRO 102           HA       PRO 102  -4.723   1.708 -10.386
  732   1HB   PRO 102          2HB       PRO 102  -6.259   3.746  -9.528
  733   2HB   PRO 102          1HB       PRO 102  -6.410   2.128  -8.826
  734   1HG   PRO 102          2HG       PRO 102  -4.961   4.502  -7.750
  735   2HG   PRO 102          1HG       PRO 102  -6.019   3.352  -6.917
  736   1HD   PRO 102          2HD       PRO 102  -3.266   3.187  -6.853
  737   2HD   PRO 102          1HD       PRO 102  -4.352   1.794  -6.639
  738    H    ASP 103           H        ASP 103  -5.595   3.930 -11.482
  739    HA   ASP 103           HA       ASP 103  -3.168   5.456 -12.253
  740   1HB   ASP 103          2HB       ASP 103  -4.789   4.487 -13.971
  741   2HB   ASP 103          1HB       ASP 103  -5.959   5.682 -13.412
  742    H    ARG 104           H        ARG 104  -5.971   5.665 -10.316
  743    HA   ARG 104           HA       ARG 104  -5.594   8.617  -9.911
  744   1HB   ARG 104          2HB       ARG 104  -8.104   7.002  -9.335
  745   2HB   ARG 104          1HB       ARG 104  -7.932   8.750  -9.320
  746   1HG   ARG 104          2HG       ARG 104  -7.174   7.627 -11.929
  747   2HG   ARG 104          1HG       ARG 104  -8.816   7.166 -11.496
  748   1HD   ARG 104          2HD       ARG 104  -9.011   9.232 -12.667
  749   2HD   ARG 104          1HD       ARG 104  -9.221   9.643 -10.963
  750    HE   ARG 104           HE       ARG 104  -6.474   9.885 -11.454
  751   1HH1  ARG 104          1HH2      ARG 104  -9.451  11.262 -12.542
  752   2HH1  ARG 104          2HH2      ARG 104  -8.714  12.701 -13.161
  753   1HH2  ARG 104          1HH1      ARG 104  -5.499  11.756 -12.290
  754   2HH2  ARG 104          2HH1      ARG 104  -6.478  12.981 -13.027
  755    H    GLN 105           H        GLN 105  -4.402   8.740  -7.949
  756    HA   GLN 105           HA       GLN 105  -5.138   6.772  -5.820
  757   1HB   GLN 105          2HB       GLN 105  -2.864   7.548  -4.885
  758   2HB   GLN 105          1HB       GLN 105  -2.816   6.560  -6.345
  759   1HG   GLN 105          2HG       GLN 105  -2.920   9.574  -6.536
  760   2HG   GLN 105          1HG       GLN 105  -1.391   8.738  -6.300
  761   1HE2  GLN 105          1HE2      GLN 105  -1.003   6.865  -7.964
  762   2HE2  GLN 105          2HE2      GLN 105  -1.497   7.163  -9.553
  763    H    TRP 106           H        TRP 106  -5.403   9.957  -6.841
  764    HA   TRP 106           HA       TRP 106  -5.090  11.525  -4.512
  765   1HB   TRP 106          2HB       TRP 106  -5.638  12.329  -6.880
  766   2HB   TRP 106          1HB       TRP 106  -7.320  11.941  -6.515
  767    HD1  TRP 106           HD       TRP 106  -8.668  13.721  -5.262
  768    HE1  TRP 106           1HE      TRP 106  -8.101  15.924  -4.043
  769    HE3  TRP 106           3HE      TRP 106  -3.566  13.510  -5.369
  770    HZ2  TRP 106           2HZ      TRP 106  -5.796  17.398  -3.221
  771    HZ3  TRP 106           3HZ      TRP 106  -2.212  15.324  -4.367
  772    HH2  TRP 106           HH       TRP 106  -3.318  17.267  -3.295
  Start of MODEL   10
    1   1H    SER   1          1HT       SER   1  11.656  -9.129   4.067
    2   2H    SER   1          2HT       SER   1  10.423  -8.034   4.476
    3   3H    SER   1          3HT       SER   1  11.250  -7.876   2.998
    4    HA   SER   1           HA       SER   1  10.168 -10.468   3.160
    5   1HB   SER   1          2HB       SER   1   7.899  -8.543   3.087
    6   2HB   SER   1          1HB       SER   1   7.987 -10.146   3.800
    7    HG   SER   1           HG       SER   1   8.901  -9.316   5.591
    8    H    LYS   2           H        LYS   2   8.866 -10.795   1.073
    9    HA   LYS   2           HA       LYS   2   9.991  -9.060  -1.013
   10   1HB   LYS   2          2HB       LYS   2   8.645 -11.733  -0.860
   11   2HB   LYS   2          1HB       LYS   2   8.446 -10.843  -2.359
   12   1HG   LYS   2          2HG       LYS   2  11.197 -11.145  -1.156
   13   2HG   LYS   2          1HG       LYS   2  10.500 -12.483  -2.063
   14   1HD   LYS   2          2HD       LYS   2  10.467  -9.721  -3.265
   15   2HD   LYS   2          1HD       LYS   2  11.960 -10.654  -3.304
   16   1HE   LYS   2          2HE       LYS   2  10.737 -12.532  -4.386
   17   2HE   LYS   2          1HE       LYS   2   9.283 -11.534  -4.428
   18   1HZ   LYS   2          1HZ       LYS   2  10.697 -11.540  -6.493
   19   2HZ   LYS   2          2HZ       LYS   2  11.844 -10.648  -5.613
   20   3HZ   LYS   2          3HZ       LYS   2  10.288 -10.015  -5.879
   21    H    VAL   3           H        VAL   3   8.791  -7.370  -1.844
   22    HA   VAL   3           HA       VAL   3   5.823  -7.433  -1.419
   23    HB   VAL   3           HB       VAL   3   7.971  -5.481  -0.771
   24   1HG1  VAL   3          1HG1      VAL   3   7.025  -4.152  -2.476
   25   2HG1  VAL   3          2HG1      VAL   3   6.354  -3.546  -0.958
   26   3HG1  VAL   3          3HG1      VAL   3   5.376  -4.580  -2.007
   27   1HG2  VAL   3          1HG2      VAL   3   6.450  -4.899   1.037
   28   2HG2  VAL   3          2HG2      VAL   3   6.598  -6.649   0.928
   29   3HG2  VAL   3          3HG2      VAL   3   5.171  -5.841   0.285
   30    H    VAL   4           H        VAL   4   4.738  -7.246  -3.334
   31    HA   VAL   4           HA       VAL   4   6.264  -6.265  -5.725
   32    HB   VAL   4           HB       VAL   4   3.776  -7.875  -5.963
   33   1HG1  VAL   4          1HG1      VAL   4   4.576  -8.418  -8.087
   34   2HG1  VAL   4          2HG1      VAL   4   6.253  -8.127  -7.630
   35   3HG1  VAL   4          3HG1      VAL   4   5.161  -6.767  -7.883
   36   1HG2  VAL   4          1HG2      VAL   4   6.513  -8.925  -5.249
   37   2HG2  VAL   4          2HG2      VAL   4   5.262  -9.932  -5.983
   38   3HG2  VAL   4          3HG2      VAL   4   4.998  -9.209  -4.393
   39    H    TYR   5           H        TYR   5   5.492  -4.580  -6.778
   40    HA   TYR   5           HA       TYR   5   2.886  -3.359  -5.979
   41   1HB   TYR   5          2HB       TYR   5   5.435  -2.136  -7.055
   42   2HB   TYR   5          1HB       TYR   5   3.903  -1.266  -7.059
   43    HD1  TYR   5           1HD      TYR   5   6.628  -2.577  -4.996
   44    HD2  TYR   5           2HD      TYR   5   2.789  -0.654  -4.930
   45    HE1  TYR   5           1HE      TYR   5   6.989  -1.915  -2.636
   46    HE2  TYR   5           2HE      TYR   5   3.161   0.007  -2.571
   47    HH   TYR   5           HH       TYR   5   6.255  -0.603  -0.949
   48    H    VAL   6           H        VAL   6   1.316  -3.697  -7.516
   49    HA   VAL   6           HA       VAL   6   2.192  -4.140 -10.351
   50    HB   VAL   6           HB       VAL   6  -0.613  -4.526  -9.288
   51   1HG1  VAL   6          1HG1      VAL   6  -0.857  -5.927 -11.238
   52   2HG1  VAL   6          2HG1      VAL   6   0.868  -5.813 -11.589
   53   3HG1  VAL   6          3HG1      VAL   6  -0.163  -4.392 -11.764
   54   1HG2  VAL   6          1HG2      VAL   6   1.618  -6.572  -9.439
   55   2HG2  VAL   6          2HG2      VAL   6  -0.055  -6.901  -8.995
   56   3HG2  VAL   6          3HG2      VAL   6   0.955  -5.907  -7.942
   57    H    SER   7           H        SER   7   2.260  -2.290 -11.412
   58    HA   SER   7           HA       SER   7   0.843   0.070 -10.531
   59   1HB   SER   7          2HB       SER   7   2.020   1.228 -12.198
   60   2HB   SER   7          1HB       SER   7   3.115  -0.076 -11.750
   61    HG   SER   7           HG       SER   7   2.199  -1.265 -13.531
   62    H    HIS   8           H        HIS   8  -0.150   1.380 -12.441
   63    HA   HIS   8           HA       HIS   8  -2.604  -0.032 -13.175
   64   1HB   HIS   8          2HB       HIS   8  -2.699   2.450 -14.488
   65   2HB   HIS   8          1HB       HIS   8  -3.346   2.116 -12.886
   66    HD1  HIS   8           1HD      HIS   8  -0.939   2.022 -11.109
   67    HD2  HIS   8           2HD      HIS   8  -1.259   4.785 -14.221
   68    HE1  HIS   8           1HE      HIS   8   0.612   3.943 -10.529
   69    HE2  HIS   8           2HE      HIS   8   0.429   5.625 -12.423
   70    H    ASP   9           H        ASP   9   0.146   1.433 -14.870
   71    HA   ASP   9           HA       ASP   9  -0.726   0.762 -17.495
   72   1HB   ASP   9          2HB       ASP   9   1.906   0.792 -17.899
   73   2HB   ASP   9          1HB       ASP   9   1.042   2.283 -17.527
   74    H    GLY  10           H        GLY  10   0.055  -1.305 -14.961
   75   1HA   GLY  10          2HA       GLY  10  -0.108  -3.696 -15.172
   76   2HA   GLY  10          1HA       GLY  10   0.371  -3.570 -16.863
   77    H    THR  11           H        THR  11   2.519  -1.578 -15.641
   78    HA   THR  11           HA       THR  11   4.620  -3.544 -15.656
   79    HB   THR  11           HB       THR  11   4.577  -0.860 -16.093
   80    HG1  THR  11           1HG      THR  11   7.049  -1.471 -15.447
   81   1HG2  THR  11          1HG2      THR  11   6.067  -1.161 -13.478
   82   2HG2  THR  11          2HG2      THR  11   4.469  -0.431 -13.606
   83   3HG2  THR  11          3HG2      THR  11   5.844   0.313 -14.418
   84    H    ARG  12           H        ARG  12   5.510  -4.626 -14.033
   85    HA   ARG  12           HA       ARG  12   4.462  -4.176 -11.264
   86   1HB   ARG  12          2HB       ARG  12   5.938  -6.701 -11.845
   87   2HB   ARG  12          1HB       ARG  12   4.449  -6.447 -10.950
   88   1HG   ARG  12          2HG       ARG  12   3.629  -7.554 -12.826
   89   2HG   ARG  12          1HG       ARG  12   3.420  -5.881 -13.322
   90   1HD   ARG  12          2HD       ARG  12   4.972  -6.081 -15.001
   91   2HD   ARG  12          1HD       ARG  12   6.073  -7.039 -14.021
   92    HE   ARG  12           HE       ARG  12   4.940  -9.023 -14.713
   93   1HH1  ARG  12          1HH2      ARG  12   3.518  -6.110 -15.970
   94   2HH1  ARG  12          2HH2      ARG  12   2.389  -6.961 -16.961
   95   1HH2  ARG  12          1HH1      ARG  12   3.480 -10.093 -16.034
   96   2HH2  ARG  12          2HH1      ARG  12   2.351  -9.201 -16.999
   97    H    ARG  13           H        ARG  13   5.871  -3.800  -9.551
   98    HA   ARG  13           HA       ARG  13   8.813  -3.974 -10.039
   99   1HB   ARG  13          2HB       ARG  13   7.856  -1.581 -10.264
  100   2HB   ARG  13          1HB       ARG  13   7.513  -1.689  -8.530
  101   1HG   ARG  13          2HG       ARG  13   9.892  -2.192  -8.094
  102   2HG   ARG  13          1HG       ARG  13  10.245  -2.017  -9.823
  103   1HD   ARG  13          2HD       ARG  13   8.819   0.230  -8.458
  104   2HD   ARG  13          1HD       ARG  13  10.528   0.031  -8.105
  105    HE   ARG  13           HE       ARG  13  11.026   0.489 -10.436
  106   1HH1  ARG  13          1HH2      ARG  13   7.622   0.602  -9.678
  107   2HH1  ARG  13          2HH2      ARG  13   7.245   1.594 -11.043
  108   1HH2  ARG  13          1HH1      ARG  13  10.488   1.842 -12.153
  109   2HH2  ARG  13          2HH1      ARG  13   8.838   2.307 -12.412
  110    H    GLU  14           H        GLU  14   9.800  -4.958  -8.283
  111    HA   GLU  14           HA       GLU  14   8.150  -5.296  -5.814
  112   1HB   GLU  14          2HB       GLU  14  10.234  -7.346  -6.201
  113   2HB   GLU  14          1HB       GLU  14   8.516  -7.549  -5.870
  114   1HG   GLU  14          2HG       GLU  14   8.114  -6.943  -8.321
  115   2HG   GLU  14          1HG       GLU  14   9.852  -7.115  -8.551
  116    H    LEU  15           H        LEU  15   9.103  -4.920  -3.808
  117    HA   LEU  15           HA       LEU  15  12.032  -4.244  -3.764
  118   1HB   LEU  15          2HB       LEU  15  10.504  -2.882  -1.639
  119   2HB   LEU  15          1HB       LEU  15  11.663  -2.207  -2.768
  120    HG   LEU  15           HG       LEU  15   8.822  -2.829  -3.428
  121   1HD1  LEU  15          1HD1      LEU  15   8.963  -1.140  -1.638
  122   2HD1  LEU  15          2HD1      LEU  15   8.513  -0.347  -3.139
  123   3HD1  LEU  15          3HD1      LEU  15  10.167  -0.238  -2.553
  124   1HD2  LEU  15          1HD2      LEU  15   9.228  -1.812  -5.494
  125   2HD2  LEU  15          2HD2      LEU  15  10.828  -2.487  -5.203
  126   3HD2  LEU  15          3HD2      LEU  15  10.514  -0.798  -4.849
  127    H    ASP  16           H        ASP  16  12.743  -4.134  -1.430
  128    HA   ASP  16           HA       ASP  16  11.637  -6.444   0.116
  129   1HB   ASP  16          2HB       ASP  16  14.413  -5.277  -0.200
  130   2HB   ASP  16          1HB       ASP  16  13.993  -6.167   1.256
  131    H    VAL  17           H        VAL  17  10.409  -5.645   1.824
  132    HA   VAL  17           HA       VAL  17  11.173  -2.980   2.997
  133    HB   VAL  17           HB       VAL  17   8.446  -4.257   3.366
  134   1HG1  VAL  17          1HG1      VAL  17   9.630  -1.672   3.949
  135   2HG1  VAL  17          2HG1      VAL  17   7.997  -2.229   4.303
  136   3HG1  VAL  17          3HG1      VAL  17   8.342  -1.435   2.779
  137   1HG2  VAL  17          1HG2      VAL  17   8.744  -4.455   1.014
  138   2HG2  VAL  17          2HG2      VAL  17   9.499  -2.874   0.882
  139   3HG2  VAL  17          3HG2      VAL  17   7.780  -3.003   1.244
  140    H    ALA  18           H        ALA  18  12.063  -3.174   4.988
  141    HA   ALA  18           HA       ALA  18  12.332  -5.726   6.254
  142   1HB   ALA  18          1HB       ALA  18  13.802  -4.670   7.670
  143   2HB   ALA  18          2HB       ALA  18  12.724  -3.304   7.950
  144   3HB   ALA  18          3HB       ALA  18  13.680  -3.384   6.469
  145    H    ASP  19           H        ASP  19  11.629  -6.260   8.426
  146    HA   ASP  19           HA       ASP  19   8.822  -6.207   8.742
  147   1HB   ASP  19          2HB       ASP  19   9.337  -6.982  11.096
  148   2HB   ASP  19          1HB       ASP  19  10.092  -7.937   9.828
  149    H    GLY  20           H        GLY  20   7.488  -4.944   9.853
  150   1HA   GLY  20          2HA       GLY  20   6.746  -3.144  11.225
  151   2HA   GLY  20          1HA       GLY  20   8.412  -2.907  11.732
  152    H    VAL  21           H        VAL  21   8.516  -2.892   8.355
  153    HA   VAL  21           HA       VAL  21   8.610   0.061   8.396
  154    HB   VAL  21           HB       VAL  21   9.234  -1.880   6.157
  155   1HG1  VAL  21          1HG1      VAL  21   8.911   0.221   5.177
  156   2HG1  VAL  21          2HG1      VAL  21  10.655   0.160   5.429
  157   3HG1  VAL  21          3HG1      VAL  21   9.632   1.074   6.541
  158   1HG2  VAL  21          1HG2      VAL  21  11.208  -0.504   7.982
  159   2HG2  VAL  21          2HG2      VAL  21  11.544  -1.722   6.747
  160   3HG2  VAL  21          3HG2      VAL  21  10.670  -2.168   8.220
  161    H    SER  22           H        SER  22   7.329   1.308   6.892
  162    HA   SER  22           HA       SER  22   4.757   0.013   6.221
  163   1HB   SER  22          2HB       SER  22   4.155   2.414   5.567
  164   2HB   SER  22          1HB       SER  22   4.510   2.141   7.271
  165    HG   SER  22           HG       SER  22   6.286   3.129   5.284
  166    H    LEU  23           H        LEU  23   4.069  -0.358   4.122
  167    HA   LEU  23           HA       LEU  23   5.841  -0.760   2.008
  168   1HB   LEU  23          2HB       LEU  23   2.914  -0.031   2.067
  169   2HB   LEU  23          1HB       LEU  23   3.742  -0.312   0.537
  170    HG   LEU  23           HG       LEU  23   3.868  -2.332   2.785
  171   1HD1  LEU  23          1HD1      LEU  23   1.478  -1.864   2.185
  172   2HD1  LEU  23          2HD1      LEU  23   1.986  -3.503   1.793
  173   3HD1  LEU  23          3HD1      LEU  23   1.857  -2.291   0.524
  174   1HD2  LEU  23          1HD2      LEU  23   4.354  -2.394  -0.195
  175   2HD2  LEU  23          2HD2      LEU  23   4.124  -3.858   0.739
  176   3HD2  LEU  23          3HD2      LEU  23   5.477  -2.799   1.089
  177    H    MET  24           H        MET  24   4.425   2.200   3.148
  178    HA   MET  24           HA       MET  24   5.042   3.810   0.832
  179   1HB   MET  24          2HB       MET  24   3.433   4.746   2.264
  180   2HB   MET  24          1HB       MET  24   4.342   4.329   3.707
  181   1HG   MET  24          2HG       MET  24   5.901   6.097   3.367
  182   2HG   MET  24          1HG       MET  24   5.378   6.340   1.704
  183   1HE   MET  24          1HE       MET  24   5.628   8.644   2.378
  184   2HE   MET  24          2HE       MET  24   5.500   8.809   4.125
  185   3HE   MET  24          3HE       MET  24   4.353   9.647   3.087
  186    H    GLN  25           H        GLN  25   6.725   3.037   3.858
  187    HA   GLN  25           HA       GLN  25   8.905   4.823   3.548
  188   1HB   GLN  25          2HB       GLN  25   8.282   2.451   5.164
  189   2HB   GLN  25          1HB       GLN  25   9.999   2.545   4.780
  190   1HG   GLN  25          2HG       GLN  25  10.203   4.696   5.794
  191   2HG   GLN  25          1HG       GLN  25   8.454   4.904   5.878
  192   1HE2  GLN  25          1HE2      GLN  25  11.220   3.612   7.542
  193   2HE2  GLN  25          2HE2      GLN  25  10.377   2.923   8.848
  194    H    ALA  26           H        ALA  26   8.761   1.316   2.570
  195    HA   ALA  26           HA       ALA  26  11.282   1.475   1.185
  196   1HB   ALA  26          1HB       ALA  26  10.565  -0.634   0.100
  197   2HB   ALA  26          2HB       ALA  26   8.952  -0.412   0.775
  198   3HB   ALA  26          3HB       ALA  26  10.332  -0.668   1.841
  199    H    ALA  27           H        ALA  27   8.012   2.338   0.076
  200    HA   ALA  27           HA       ALA  27   8.652   2.279  -2.720
  201   1HB   ALA  27          1HB       ALA  27   6.569   3.712  -1.075
  202   2HB   ALA  27          2HB       ALA  27   6.350   2.334  -2.155
  203   3HB   ALA  27          3HB       ALA  27   6.687   3.933  -2.819
  204    H    VAL  28           H        VAL  28   8.389   5.110  -0.477
  205    HA   VAL  28           HA       VAL  28   9.286   7.107  -2.203
  206    HB   VAL  28           HB       VAL  28   9.820   6.717   0.749
  207   1HG1  VAL  28          1HG1      VAL  28  10.315   9.247   0.663
  208   2HG1  VAL  28          2HG1      VAL  28  10.564   9.013  -1.063
  209   3HG1  VAL  28          3HG1      VAL  28  11.585   8.164   0.091
  210   1HG2  VAL  28          1HG2      VAL  28   7.465   7.114  -0.089
  211   2HG2  VAL  28          2HG2      VAL  28   8.021   8.682  -0.684
  212   3HG2  VAL  28          3HG2      VAL  28   8.052   8.326   1.039
  213    H    SER  29           H        SER  29  11.139   4.484  -0.862
  214    HA   SER  29           HA       SER  29  13.717   5.773  -1.511
  215   1HB   SER  29          2HB       SER  29  14.365   4.449   0.210
  216   2HB   SER  29          1HB       SER  29  12.764   3.733   0.235
  217    HG   SER  29           HG       SER  29  14.028   2.048  -0.225
  218    H    ASN  30           H        ASN  30  11.459   3.552  -2.923
  219    HA   ASN  30           HA       ASN  30  13.498   2.611  -4.889
  220   1HB   ASN  30          2HB       ASN  30  10.717   1.683  -4.161
  221   2HB   ASN  30          1HB       ASN  30  11.558   1.126  -5.607
  222   1HD2  ASN  30          1HD2      ASN  30  12.184   1.485  -2.070
  223   2HD2  ASN  30          2HD2      ASN  30  13.089   0.055  -1.933
  224    H    GLY  31           H        GLY  31  11.824   5.331  -4.589
  225   1HA   GLY  31          2HA       GLY  31  11.120   6.883  -6.201
  226   2HA   GLY  31          1HA       GLY  31  11.758   5.787  -7.427
  227    H    ILE  32           H        ILE  32   9.163   4.975  -5.142
  228    HA   ILE  32           HA       ILE  32   7.320   4.699  -7.496
  229    HB   ILE  32           HB       ILE  32   7.205   3.142  -4.927
  230   1HG1  ILE  32          2HG1      ILE  32   8.423   2.293  -7.554
  231   2HG1  ILE  32          1HG1      ILE  32   9.380   2.835  -6.178
  232   1HG2  ILE  32          1HG2      ILE  32   5.155   3.235  -6.343
  233   2HG2  ILE  32          2HG2      ILE  32   5.844   1.612  -6.244
  234   3HG2  ILE  32          3HG2      ILE  32   6.098   2.592  -7.694
  235   1HD1  ILE  32          1HD1      ILE  32   7.436   0.524  -6.117
  236   2HD1  ILE  32          2HD1      ILE  32   8.441   1.095  -4.793
  237   3HD1  ILE  32          3HD1      ILE  32   9.189   0.393  -6.224
  238    H    TYR  33           H        TYR  33   7.565   5.806  -4.193
  239    HA   TYR  33           HA       TYR  33   4.806   6.191  -3.809
  240   1HB   TYR  33          2HB       TYR  33   7.027   6.397  -2.260
  241   2HB   TYR  33          1HB       TYR  33   6.617   8.099  -2.435
  242    HD1  TYR  33           1HD      TYR  33   4.759   4.859  -1.953
  243    HD2  TYR  33           2HD      TYR  33   5.264   8.945  -0.724
  244    HE1  TYR  33           1HE      TYR  33   2.963   4.573  -0.263
  245    HE2  TYR  33           2HE      TYR  33   3.466   8.661   0.960
  246    HH   TYR  33           HH       TYR  33   1.660   7.293   1.499
  247    H    ASP  34           H        ASP  34   6.325   7.660  -6.277
  248    HA   ASP  34           HA       ASP  34   5.863  10.403  -6.098
  249   1HB   ASP  34          2HB       ASP  34   5.516  10.336  -8.574
  250   2HB   ASP  34          1HB       ASP  34   6.918   9.407  -8.042
  251    H    ILE  35           H        ILE  35   3.737   9.077  -4.786
  252    HA   ILE  35           HA       ILE  35   1.275   9.851  -6.294
  253    HB   ILE  35           HB       ILE  35   0.081   8.657  -4.419
  254   1HG1  ILE  35          2HG1      ILE  35   2.782   7.501  -3.693
  255   2HG1  ILE  35          1HG1      ILE  35   2.182   8.944  -2.877
  256   1HG2  ILE  35          1HG2      ILE  35   1.045   6.337  -5.151
  257   2HG2  ILE  35          2HG2      ILE  35   2.062   7.284  -6.229
  258   3HG2  ILE  35          3HG2      ILE  35   0.305   7.371  -6.371
  259   1HD1  ILE  35          1HD1      ILE  35   1.643   6.643  -1.819
  260   2HD1  ILE  35          2HD1      ILE  35   0.459   6.479  -3.109
  261   3HD1  ILE  35          3HD1      ILE  35   0.336   7.814  -1.961
  262    H    VAL  36           H        VAL  36   3.390  11.479  -4.638
  263    HA   VAL  36           HA       VAL  36   3.343  13.386  -3.284
  264    HB   VAL  36           HB       VAL  36   0.373  13.465  -3.851
  265   1HG1  VAL  36          1HG1      VAL  36   0.821  15.922  -3.776
  266   2HG1  VAL  36          2HG1      VAL  36   2.494  15.571  -3.344
  267   3HG1  VAL  36          3HG1      VAL  36   1.187  15.113  -2.251
  268   1HG2  VAL  36          1HG2      VAL  36   2.708  14.281  -5.607
  269   2HG2  VAL  36          2HG2      VAL  36   1.048  14.812  -5.873
  270   3HG2  VAL  36          3HG2      VAL  36   1.454  13.100  -5.986
  271    H    GLY  37           H        GLY  37   3.759  12.517  -1.247
  272   1HA   GLY  37          2HA       GLY  37   1.583  11.265   0.293
  273   2HA   GLY  37          1HA       GLY  37   3.256  11.462   0.821
  274    H    ASP  38           H        ASP  38   0.093  12.838   0.885
  275    HA   ASP  38           HA       ASP  38   0.817  15.516   1.666
  276   1HB   ASP  38          2HB       ASP  38  -1.673  13.840   1.893
  277   2HB   ASP  38          1HB       ASP  38  -1.597  15.412   2.690
  278    H    CYS  39           H        CYS  39  -0.674  13.006   3.772
  279    HA   CYS  39           HA       CYS  39   0.185  14.322   6.158
  280   1HB   CYS  39          2HB       CYS  39  -0.668  12.476   7.354
  281   2HB   CYS  39          1HB       CYS  39  -1.671  12.556   5.911
  282    H    GLY  40           H        GLY  40   2.001  12.688   3.878
  283   1HA   GLY  40          2HA       GLY  40   4.289  12.149   3.891
  284   2HA   GLY  40          1HA       GLY  40   4.379  12.817   5.520
  285    H    GLY  41           H        GLY  41   1.984  10.390   5.027
  286   1HA   GLY  41          2HA       GLY  41   2.104   8.019   5.397
  287   2HA   GLY  41          1HA       GLY  41   3.786   8.199   5.898
  288    H    SER  42           H        SER  42   1.440  10.395   7.206
  289    HA   SER  42           HA       SER  42   1.810   9.144   9.891
  290   1HB   SER  42          2HB       SER  42   2.269  11.415  10.132
  291   2HB   SER  42          1HB       SER  42   1.117  11.883   8.882
  292    HG   SER  42           HG       SER  42   0.646  11.092  11.554
  293    H    ALA  43           H        ALA  43  -0.156   8.520   7.506
  294    HA   ALA  43           HA       ALA  43  -2.342   7.712   7.321
  295   1HB   ALA  43          1HB       ALA  43  -2.383   7.659  10.348
  296   2HB   ALA  43          2HB       ALA  43  -1.508   6.459   9.394
  297   3HB   ALA  43          3HB       ALA  43  -3.257   6.615   9.226
  298    H    SER  44           H        SER  44  -2.491  10.260   6.819
  299    HA   SER  44           HA       SER  44  -4.896  11.173   8.300
  300   1HB   SER  44          2HB       SER  44  -2.810  13.271   7.814
  301   2HB   SER  44          1HB       SER  44  -4.015  13.161   9.092
  302    HG   SER  44           HG       SER  44  -2.772  11.624  10.101
  303    H    CYS  45           H        CYS  45  -3.682  10.393   5.433
  304    HA   CYS  45           HA       CYS  45  -5.355  12.405   4.004
  305   1HB   CYS  45          2HB       CYS  45  -3.730  12.911   2.397
  306   2HB   CYS  45          1HB       CYS  45  -2.794  12.880   3.889
  307    H    ALA  46           H        ALA  46  -5.063  11.494   1.446
  308    HA   ALA  46           HA       ALA  46  -5.762   8.583   1.546
  309   1HB   ALA  46          1HB       ALA  46  -7.915   9.469   1.439
  310   2HB   ALA  46          2HB       ALA  46  -7.533   9.372  -0.276
  311   3HB   ALA  46          3HB       ALA  46  -7.389  10.907   0.565
  312    H    THR  47           H        THR  47  -3.363  10.173   0.593
  313    HA   THR  47           HA       THR  47  -3.465   9.942  -2.322
  314    HB   THR  47           HB       THR  47  -1.103  10.634  -2.228
  315    HG1  THR  47           1HG      THR  47  -1.516  10.087   0.495
  316   1HG2  THR  47          1HG2      THR  47  -1.468  12.772  -0.841
  317   2HG2  THR  47          2HG2      THR  47  -3.068  12.123  -0.482
  318   3HG2  THR  47          3HG2      THR  47  -2.613  12.465  -2.149
  319    H    CYS  48           H        CYS  48  -2.652   7.928   0.352
  320    HA   CYS  48           HA       CYS  48  -1.040   6.065  -1.283
  321   1HB   CYS  48          2HB       CYS  48  -0.959   4.765   0.881
  322   2HB   CYS  48          1HB       CYS  48  -0.249   6.377   0.952
  323    H    HIS  49           H        HIS  49  -3.776   6.439  -2.078
  324    HA   HIS  49           HA       HIS  49  -5.462   4.270  -1.151
  325   1HB   HIS  49          2HB       HIS  49  -6.499   6.180  -2.168
  326   2HB   HIS  49          1HB       HIS  49  -5.433   6.119  -3.535
  327    HD1  HIS  49           1HD      HIS  49  -7.982   3.646  -2.032
  328    HD2  HIS  49           2HD      HIS  49  -6.814   5.243  -5.677
  329    HE1  HIS  49           1HE      HIS  49  -9.525   2.631  -3.803
  330    HE2  HIS  49           2HE      HIS  49  -8.791   3.596  -6.016
  331    H    VAL  50           H        VAL  50  -4.739   2.121  -1.486
  332    HA   VAL  50           HA       VAL  50  -4.107   1.393  -4.297
  333    HB   VAL  50           HB       VAL  50  -2.018   0.460  -3.929
  334   1HG1  VAL  50          1HG1      VAL  50  -2.029   2.535  -1.735
  335   2HG1  VAL  50          2HG1      VAL  50  -1.966   2.927  -3.451
  336   3HG1  VAL  50          3HG1      VAL  50  -0.653   2.017  -2.703
  337   1HG2  VAL  50          1HG2      VAL  50  -1.207  -0.065  -1.528
  338   2HG2  VAL  50          2HG2      VAL  50  -2.433  -1.123  -2.226
  339   3HG2  VAL  50          3HG2      VAL  50  -2.900   0.118  -1.057
  340    H    TYR  51           H        TYR  51  -3.837  -1.164  -4.307
  341    HA   TYR  51           HA       TYR  51  -6.009  -2.274  -2.574
  342   1HB   TYR  51          2HB       TYR  51  -5.333  -2.754  -5.462
  343   2HB   TYR  51          1HB       TYR  51  -6.574  -3.613  -4.581
  344    HD1  TYR  51           1HD      TYR  51  -8.589  -2.258  -3.657
  345    HD2  TYR  51           2HD      TYR  51  -5.616  -0.548  -6.263
  346    HE1  TYR  51           1HE      TYR  51 -10.074  -0.345  -4.140
  347    HE2  TYR  51           2HE      TYR  51  -7.124   1.322  -6.705
  348    HH   TYR  51           HH       TYR  51 -10.243   1.653  -5.168
  349    H    VAL  52           H        VAL  52  -5.169  -3.635  -1.263
  350    HA   VAL  52           HA       VAL  52  -2.643  -5.102  -1.757
  351    HB   VAL  52           HB       VAL  52  -4.487  -5.110   0.652
  352   1HG1  VAL  52          1HG1      VAL  52  -3.390  -7.174   0.776
  353   2HG1  VAL  52          2HG1      VAL  52  -2.335  -6.125   1.714
  354   3HG1  VAL  52          3HG1      VAL  52  -1.916  -6.544   0.058
  355   1HG2  VAL  52          1HG2      VAL  52  -3.302  -2.957   0.269
  356   2HG2  VAL  52          2HG2      VAL  52  -1.766  -3.824   0.225
  357   3HG2  VAL  52          3HG2      VAL  52  -2.709  -3.776   1.719
  358    H    ASN  53           H        ASN  53  -2.614  -7.209  -2.498
  359    HA   ASN  53           HA       ASN  53  -4.922  -8.515  -3.430
  360   1HB   ASN  53          2HB       ASN  53  -2.874  -9.371  -4.191
  361   2HB   ASN  53          1HB       ASN  53  -2.236  -9.573  -2.564
  362   1HD2  ASN  53          1HD2      ASN  53  -1.831 -11.871  -3.500
  363   2HD2  ASN  53          2HD2      ASN  53  -3.095 -12.996  -3.351
  364    H    GLU  54           H        GLU  54  -6.612  -9.362  -2.378
  365    HA   GLU  54           HA       GLU  54  -7.114  -9.278   0.332
  366   1HB   GLU  54          2HB       GLU  54  -8.747 -11.190  -0.106
  367   2HB   GLU  54          1HB       GLU  54  -8.906  -9.783  -1.159
  368   1HG   GLU  54          2HG       GLU  54  -7.622 -10.893  -2.916
  369   2HG   GLU  54          1HG       GLU  54  -7.324 -12.276  -1.858
  370    H    ALA  55           H        ALA  55  -4.717 -11.251  -1.013
  371    HA   ALA  55           HA       ALA  55  -5.038 -13.475   0.861
  372   1HB   ALA  55          1HB       ALA  55  -4.134 -13.919  -1.352
  373   2HB   ALA  55          2HB       ALA  55  -2.917 -14.291  -0.125
  374   3HB   ALA  55          3HB       ALA  55  -2.803 -12.799  -1.064
  375    H    PHE  56           H        PHE  56  -3.395 -10.351   1.010
  376    HA   PHE  56           HA       PHE  56  -1.804 -11.305   3.367
  377   1HB   PHE  56          2HB       PHE  56  -1.365  -9.112   1.325
  378   2HB   PHE  56          1HB       PHE  56  -0.417  -9.276   2.810
  379    HD1  PHE  56           1HD      PHE  56  -1.421 -11.073  -0.304
  380    HD2  PHE  56           2HD      PHE  56   1.284 -10.910   2.996
  381    HE1  PHE  56           1HE      PHE  56  -0.060 -12.881  -1.319
  382    HE2  PHE  56           2HE      PHE  56   2.650 -12.695   2.022
  383    HZ   PHE  56           HZ       PHE  56   1.981 -13.691  -0.172
  384    H    THR  57           H        THR  57  -4.518  -9.678   2.378
  385    HA   THR  57           HA       THR  57  -4.555  -7.410   4.180
  386    HB   THR  57           HB       THR  57  -7.081  -7.552   3.801
  387    HG1  THR  57           1HG      THR  57  -6.170  -9.806   2.388
  388   1HG2  THR  57          1HG2      THR  57  -5.607  -7.680   1.186
  389   2HG2  THR  57          2HG2      THR  57  -5.353  -6.345   2.309
  390   3HG2  THR  57          3HG2      THR  57  -6.953  -6.641   1.647
  391    H    ASP  58           H        ASP  58  -5.862 -10.731   4.393
  392    HA   ASP  58           HA       ASP  58  -6.875 -10.238   7.098
  393   1HB   ASP  58          2HB       ASP  58  -7.602 -12.564   7.036
  394   2HB   ASP  58          1HB       ASP  58  -8.001 -11.813   5.486
  395    H    LYS  59           H        LYS  59  -3.901 -10.709   5.838
  396    HA   LYS  59           HA       LYS  59  -2.896 -12.316   8.148
  397   1HB   LYS  59          2HB       LYS  59  -1.345 -11.400   5.719
  398   2HB   LYS  59          1HB       LYS  59  -0.964 -12.702   6.829
  399   1HG   LYS  59          2HG       LYS  59  -3.229 -13.741   6.065
  400   2HG   LYS  59          1HG       LYS  59  -3.102 -12.623   4.701
  401   1HD   LYS  59          2HD       LYS  59  -2.037 -14.558   3.877
  402   2HD   LYS  59          1HD       LYS  59  -0.674 -13.606   4.459
  403   1HE   LYS  59          2HE       LYS  59  -0.176 -15.642   5.451
  404   2HE   LYS  59          1HE       LYS  59  -1.188 -14.968   6.721
  405   1HZ   LYS  59          1HZ       LYS  59  -1.798 -17.249   6.067
  406   2HZ   LYS  59          2HZ       LYS  59  -2.200 -16.672   4.518
  407   3HZ   LYS  59          3HZ       LYS  59  -3.065 -16.138   5.877
  408    H    VAL  60           H        VAL  60  -2.277  -9.284   6.366
  409    HA   VAL  60           HA       VAL  60  -0.432  -8.335   8.397
  410    HB   VAL  60           HB       VAL  60  -1.270  -7.502   5.803
  411   1HG1  VAL  60          1HG1      VAL  60  -1.713  -5.197   5.883
  412   2HG1  VAL  60          2HG1      VAL  60  -1.365  -5.091   7.604
  413   3HG1  VAL  60          3HG1      VAL  60  -2.817  -5.916   7.038
  414   1HG2  VAL  60          1HG2      VAL  60   0.991  -7.295   5.817
  415   2HG2  VAL  60          2HG2      VAL  60   1.051  -6.991   7.550
  416   3HG2  VAL  60          3HG2      VAL  60   0.710  -5.680   6.452
  417    HA   PRO  61           HA       PRO  61  -3.104  -7.083  11.606
  418   1HB   PRO  61          2HB       PRO  61  -2.273  -4.354  11.939
  419   2HB   PRO  61          1HB       PRO  61  -1.720  -5.773  12.843
  420   1HG   PRO  61          2HG       PRO  61  -0.400  -4.328  10.660
  421   2HG   PRO  61          1HG       PRO  61   0.291  -5.436  11.851
  422   1HD   PRO  61          2HD       PRO  61  -0.074  -6.044   9.182
  423   2HD   PRO  61          1HD       PRO  61   0.070  -7.259  10.439
  424    H    ALA  62           H        ALA  62  -5.229  -6.747  11.404
  425    HA   ALA  62           HA       ALA  62  -6.691  -5.618   9.441
  426   1HB   ALA  62          1HB       ALA  62  -7.374  -5.380  12.381
  427   2HB   ALA  62          2HB       ALA  62  -7.608  -6.834  11.413
  428   3HB   ALA  62          3HB       ALA  62  -8.511  -5.368  11.034
  429    H    ALA  63           H        ALA  63  -7.042  -3.755   8.686
  430    HA   ALA  63           HA       ALA  63  -5.633  -1.400   9.385
  431   1HB   ALA  63          1HB       ALA  63  -7.334  -2.220   7.312
  432   2HB   ALA  63          2HB       ALA  63  -6.499  -0.673   7.410
  433   3HB   ALA  63          3HB       ALA  63  -8.155  -0.822   7.997
  434    H    ASN  64           H        ASN  64  -6.206   0.419  10.497
  435    HA   ASN  64           HA       ASN  64  -8.202   0.049  12.640
  436   1HB   ASN  64          2HB       ASN  64  -7.368   2.385  13.348
  437   2HB   ASN  64          1HB       ASN  64  -6.235   1.048  13.429
  438   1HD2  ASN  64          1HD2      ASN  64  -4.993   3.443  13.263
  439   2HD2  ASN  64          2HD2      ASN  64  -4.406   3.748  11.698
  440    H    GLU  65           H        GLU  65  -9.762   1.710  13.180
  441    HA   GLU  65           HA       GLU  65 -11.467   2.321  10.937
  442   1HB   GLU  65          2HB       GLU  65 -12.953   3.333  12.592
  443   2HB   GLU  65          1HB       GLU  65 -12.310   1.814  13.214
  444   1HG   GLU  65          2HG       GLU  65 -10.469   3.249  14.310
  445   2HG   GLU  65          1HG       GLU  65 -11.511   4.629  13.958
  446    H    ARG  66           H        ARG  66  -8.692   3.994  11.752
  447    HA   ARG  66           HA       ARG  66  -9.813   6.678  11.402
  448   1HB   ARG  66          2HB       ARG  66  -6.875   6.199  11.021
  449   2HB   ARG  66          1HB       ARG  66  -7.698   7.477  11.904
  450   1HG   ARG  66          2HG       ARG  66  -7.487   4.617  12.862
  451   2HG   ARG  66          1HG       ARG  66  -6.436   5.923  13.383
  452   1HD   ARG  66          2HD       ARG  66  -9.422   6.236  13.629
  453   2HD   ARG  66          1HD       ARG  66  -8.524   5.323  14.844
  454    HE   ARG  66           HE       ARG  66  -7.151   7.767  14.492
  455   1HH1  ARG  66          1HH2      ARG  66 -10.239   6.585  15.474
  456   2HH1  ARG  66          2HH2      ARG  66 -10.512   7.853  16.617
  457   1HH2  ARG  66          1HH1      ARG  66  -7.500   9.439  15.985
  458   2HH2  ARG  66          2HH1      ARG  66  -8.959   9.469  16.924
  459    H    GLU  67           H        GLU  67  -8.085   4.289   9.454
  460    HA   GLU  67           HA       GLU  67  -7.864   6.039   7.145
  461   1HB   GLU  67          2HB       GLU  67  -7.187   3.950   5.969
  462   2HB   GLU  67          1HB       GLU  67  -6.239   4.278   7.414
  463   1HG   GLU  67          2HG       GLU  67  -6.928   2.345   8.428
  464   2HG   GLU  67          1HG       GLU  67  -8.613   2.644   8.022
  465    H    ILE  68           H        ILE  68 -10.204   3.646   8.241
  466    HA   ILE  68           HA       ILE  68 -11.546   3.118   5.834
  467    HB   ILE  68           HB       ILE  68 -12.850   3.536   8.535
  468   1HG1  ILE  68          2HG1      ILE  68 -11.483   1.113   7.319
  469   2HG1  ILE  68          1HG1      ILE  68 -10.905   2.042   8.699
  470   1HG2  ILE  68          1HG2      ILE  68 -14.524   1.989   7.698
  471   2HG2  ILE  68          2HG2      ILE  68 -13.598   1.718   6.222
  472   3HG2  ILE  68          3HG2      ILE  68 -14.349   3.286   6.519
  473   1HD1  ILE  68          1HD1      ILE  68 -13.211   0.139   8.528
  474   2HD1  ILE  68          2HD1      ILE  68 -13.298   1.465   9.688
  475   3HD1  ILE  68          3HD1      ILE  68 -11.982   0.296   9.779
  476    H    GLY  69           H        GLY  69 -11.810   5.884   8.004
  477   1HA   GLY  69          2HA       GLY  69 -13.979   7.124   6.501
  478   2HA   GLY  69          1HA       GLY  69 -13.010   7.922   7.729
  479    H    MET  70           H        MET  70 -10.457   7.266   6.315
  480    HA   MET  70           HA       MET  70 -10.500   9.547   4.447
  481   1HB   MET  70          2HB       MET  70  -8.198   7.645   4.969
  482   2HB   MET  70          1HB       MET  70  -8.117   9.296   4.355
  483   1HG   MET  70          2HG       MET  70  -8.944  10.160   6.498
  484   2HG   MET  70          1HG       MET  70  -9.072   8.515   7.118
  485   1HE   MET  70          1HE       MET  70  -6.156   9.032   9.245
  486   2HE   MET  70          2HE       MET  70  -7.017   7.600   8.700
  487   3HE   MET  70          3HE       MET  70  -7.913   9.075   9.053
  488    H    LEU  71           H        LEU  71 -10.277   6.055   4.411
  489    HA   LEU  71           HA       LEU  71  -9.594   5.616   1.685
  490   1HB   LEU  71          2HB       LEU  71 -10.977   4.107   3.860
  491   2HB   LEU  71          1HB       LEU  71 -11.148   3.470   2.234
  492    HG   LEU  71           HG       LEU  71  -8.407   4.218   3.261
  493   1HD1  LEU  71          1HD1      LEU  71  -9.917   1.648   3.821
  494   2HD1  LEU  71          2HD1      LEU  71  -9.268   2.780   5.009
  495   3HD1  LEU  71          3HD1      LEU  71  -8.172   1.826   4.016
  496   1HD2  LEU  71          1HD2      LEU  71  -8.690   3.619   0.865
  497   2HD2  LEU  71          2HD2      LEU  71  -9.410   2.086   1.347
  498   3HD2  LEU  71          3HD2      LEU  71  -7.722   2.412   1.712
  499    H    GLU  72           H        GLU  72 -12.639   6.540   3.204
  500    HA   GLU  72           HA       GLU  72 -14.225   6.055   0.793
  501   1HB   GLU  72          2HB       GLU  72 -15.412   5.954   2.871
  502   2HB   GLU  72          1HB       GLU  72 -14.700   7.464   3.447
  503   1HG   GLU  72          2HG       GLU  72 -16.041   8.777   2.003
  504   2HG   GLU  72          1HG       GLU  72 -16.431   7.405   0.968
  505    H    CYS  73           H        CYS  73 -11.870   8.170   1.598
  506    HA   CYS  73           HA       CYS  73 -13.019  10.474   0.057
  507   1HB   CYS  73          2HB       CYS  73 -11.534  10.298   2.497
  508   2HB   CYS  73          1HB       CYS  73 -10.518  11.146   1.342
  509    HG   CYS  73           HG       CYS  73 -13.348  12.108   2.245
  510    H    VAL  74           H        VAL  74 -11.283   7.833  -0.802
  511    HA   VAL  74           HA       VAL  74  -9.004   9.108  -2.065
  512    HB   VAL  74           HB       VAL  74  -8.656   6.954  -3.153
  513   1HG1  VAL  74          1HG1      VAL  74  -8.585   5.541  -1.123
  514   2HG1  VAL  74          2HG1      VAL  74  -9.659   6.683  -0.314
  515   3HG1  VAL  74          3HG1      VAL  74  -8.040   7.182  -0.778
  516   1HG2  VAL  74          1HG2      VAL  74 -10.284   5.138  -2.862
  517   2HG2  VAL  74          2HG2      VAL  74 -11.038   6.478  -3.720
  518   3HG2  VAL  74          3HG2      VAL  74 -11.363   6.233  -1.998
  519    H    THR  75           H        THR  75  -8.739   8.970  -4.517
  520    HA   THR  75           HA       THR  75 -11.075  10.269  -5.741
  521    HB   THR  75           HB       THR  75  -8.418   9.667  -7.050
  522    HG1  THR  75           1HG      THR  75  -8.560  12.155  -6.209
  523   1HG2  THR  75          1HG2      THR  75  -9.032  11.761  -8.308
  524   2HG2  THR  75          2HG2      THR  75 -10.607  11.709  -7.514
  525   3HG2  THR  75          3HG2      THR  75 -10.120  10.405  -8.599
  526    H    ALA  76           H        ALA  76  -9.476   7.091  -5.975
  527    HA   ALA  76           HA       ALA  76 -11.083   6.476  -8.404
  528   1HB   ALA  76          1HB       ALA  76  -8.739   5.239  -7.019
  529   2HB   ALA  76          2HB       ALA  76  -8.993   5.530  -8.736
  530   3HB   ALA  76          3HB       ALA  76  -9.791   4.170  -7.941
  531    H    GLU  77           H        GLU  77 -11.885   3.954  -8.165
  532    HA   GLU  77           HA       GLU  77 -14.044   4.122  -6.267
  533   1HB   GLU  77          2HB       GLU  77 -14.933   2.844  -7.919
  534   2HB   GLU  77          1HB       GLU  77 -13.340   2.654  -8.622
  535   1HG   GLU  77          2HG       GLU  77 -14.304   0.888  -6.349
  536   2HG   GLU  77          1HG       GLU  77 -14.596   0.505  -8.037
  537    H    LEU  78           H        LEU  78 -14.263   3.129  -4.307
  538    HA   LEU  78           HA       LEU  78 -11.877   1.802  -3.174
  539   1HB   LEU  78          2HB       LEU  78 -13.666   3.472  -2.013
  540   2HB   LEU  78          1HB       LEU  78 -14.434   1.942  -1.617
  541    HG   LEU  78           HG       LEU  78 -12.112   1.170  -0.781
  542   1HD1  LEU  78          1HD1      LEU  78 -10.539   2.680  -1.565
  543   2HD1  LEU  78          2HD1      LEU  78 -10.814   3.325   0.027
  544   3HD1  LEU  78          3HD1      LEU  78 -11.596   4.064  -1.339
  545   1HD2  LEU  78          1HD2      LEU  78 -14.161   2.117   0.610
  546   2HD2  LEU  78          2HD2      LEU  78 -13.076   3.480   0.883
  547   3HD2  LEU  78          3HD2      LEU  78 -12.599   1.856   1.380
  548    H    LYS  79           H        LYS  79 -11.816  -0.179  -2.327
  549    HA   LYS  79           HA       LYS  79 -13.726  -2.165  -3.471
  550   1HB   LYS  79          2HB       LYS  79 -10.788  -2.082  -2.865
  551   2HB   LYS  79          1HB       LYS  79 -11.591  -3.648  -2.913
  552   1HG   LYS  79          2HG       LYS  79 -11.874  -1.681  -5.183
  553   2HG   LYS  79          1HG       LYS  79 -10.489  -2.760  -5.089
  554   1HD   LYS  79          2HD       LYS  79 -12.073  -4.704  -4.937
  555   2HD   LYS  79          1HD       LYS  79 -13.408  -3.590  -5.219
  556   1HE   LYS  79          2HE       LYS  79 -12.698  -3.088  -7.412
  557   2HE   LYS  79          1HE       LYS  79 -11.078  -3.728  -7.125
  558   1HZ   LYS  79          1HZ       LYS  79 -11.747  -5.745  -7.710
  559   2HZ   LYS  79          2HZ       LYS  79 -13.230  -5.073  -8.199
  560   3HZ   LYS  79          3HZ       LYS  79 -13.054  -5.704  -6.630
  561    HA   PRO  80           HA       PRO  80 -14.831  -3.280   0.673
  562   1HB   PRO  80          2HB       PRO  80 -14.688  -6.079   0.543
  563   2HB   PRO  80          1HB       PRO  80 -16.081  -5.110   0.028
  564   1HG   PRO  80          2HG       PRO  80 -13.895  -6.297  -1.614
  565   2HG   PRO  80          1HG       PRO  80 -15.622  -6.133  -1.983
  566   1HD   PRO  80          2HD       PRO  80 -13.777  -4.476  -3.075
  567   2HD   PRO  80          1HD       PRO  80 -15.405  -3.901  -2.642
  568    H    ASN  81           H        ASN  81 -12.035  -4.799  -0.808
  569    HA   ASN  81           HA       ASN  81 -10.689  -5.064   1.843
  570   1HB   ASN  81          2HB       ASN  81  -9.138  -6.557   0.719
  571   2HB   ASN  81          1HB       ASN  81 -10.785  -7.065   0.341
  572   1HD2  ASN  81          1HD2      ASN  81  -7.917  -5.450  -0.998
  573   2HD2  ASN  81          2HD2      ASN  81  -8.406  -5.560  -2.617
  574    H    SER  82           H        SER  82 -10.989  -2.521  -0.055
  575    HA   SER  82           HA       SER  82  -8.338  -1.892  -0.949
  576   1HB   SER  82          2HB       SER  82 -10.869  -0.676  -0.959
  577   2HB   SER  82          1HB       SER  82  -9.794   0.455  -0.149
  578    HG   SER  82           HG       SER  82  -9.368   0.896  -2.176
  579    H    ARG  83           H        ARG  83  -6.713  -0.760   0.103
  580    HA   ARG  83           HA       ARG  83  -7.102   0.034   2.942
  581   1HB   ARG  83          2HB       ARG  83  -5.089  -2.084   2.106
  582   2HB   ARG  83          1HB       ARG  83  -5.124  -1.304   3.687
  583   1HG   ARG  83          2HG       ARG  83  -7.450  -2.160   4.019
  584   2HG   ARG  83          1HG       ARG  83  -7.322  -3.014   2.483
  585   1HD   ARG  83          2HD       ARG  83  -6.686  -4.705   3.935
  586   2HD   ARG  83          1HD       ARG  83  -5.113  -4.004   3.582
  587    HE   ARG  83           HE       ARG  83  -5.958  -2.598   5.813
  588   1HH1  ARG  83          1HH2      ARG  83  -5.607  -5.898   4.879
  589   2HH1  ARG  83          2HH2      ARG  83  -5.326  -6.475   6.487
  590   1HH2  ARG  83          1HH1      ARG  83  -5.572  -3.338   7.940
  591   2HH2  ARG  83          2HH1      ARG  83  -5.309  -5.027   8.219
  592    H    LEU  84           H        LEU  84  -5.368   1.375   3.736
  593    HA   LEU  84           HA       LEU  84  -4.115   2.950   1.626
  594   1HB   LEU  84          2HB       LEU  84  -3.818   3.033   4.643
  595   2HB   LEU  84          1HB       LEU  84  -3.164   4.231   3.548
  596    HG   LEU  84           HG       LEU  84  -6.086   3.582   3.998
  597   1HD1  LEU  84          1HD1      LEU  84  -6.210   5.815   4.920
  598   2HD1  LEU  84          2HD1      LEU  84  -4.564   6.173   4.393
  599   3HD1  LEU  84          3HD1      LEU  84  -4.844   5.004   5.681
  600   1HD2  LEU  84          1HD2      LEU  84  -6.118   4.125   1.726
  601   2HD2  LEU  84          2HD2      LEU  84  -4.724   5.192   1.849
  602   3HD2  LEU  84          3HD2      LEU  84  -6.292   5.722   2.452
  603    H    CYS  85           H        CYS  85  -1.682   3.434   1.828
  604    HA   CYS  85           HA       CYS  85  -0.253   0.818   2.073
  605   1HB   CYS  85          2HB       CYS  85  -0.402   2.434  -0.058
  606   2HB   CYS  85          1HB       CYS  85   1.005   3.160   0.701
  607    HG   CYS  85           HG       CYS  85   2.354   1.152   0.134
  608    H    CYS  86           H        CYS  86  -0.534   3.767   3.793
  609    HA   CYS  86           HA       CYS  86   2.310   3.720   4.664
  610   1HB   CYS  86          2HB       CYS  86   1.677   5.749   5.987
  611   2HB   CYS  86          1HB       CYS  86   1.432   5.915   4.245
  612    H    GLN  87           H        GLN  87  -0.873   2.858   5.988
  613    HA   GLN  87           HA       GLN  87   0.381   2.382   8.650
  614   1HB   GLN  87          2HB       GLN  87  -1.997   1.683   9.269
  615   2HB   GLN  87          1HB       GLN  87  -1.766   3.381   8.855
  616   1HG   GLN  87          2HG       GLN  87  -2.706   3.088   6.695
  617   2HG   GLN  87          1HG       GLN  87  -2.604   1.331   6.803
  618   1HE2  GLN  87          1HE2      GLN  87  -3.955   3.874   8.991
  619   2HE2  GLN  87          2HE2      GLN  87  -5.467   3.121   9.167
  620    H    ILE  88           H        ILE  88   0.603   0.789   5.979
  621    HA   ILE  88           HA       ILE  88  -0.142  -1.926   6.993
  622    HB   ILE  88           HB       ILE  88   0.944  -1.088   4.291
  623   1HG1  ILE  88          2HG1      ILE  88  -1.431  -0.339   4.927
  624   2HG1  ILE  88          1HG1      ILE  88  -1.250  -1.253   3.435
  625   1HG2  ILE  88          1HG2      ILE  88   1.582  -3.345   4.641
  626   2HG2  ILE  88          2HG2      ILE  88   0.115  -3.420   3.668
  627   3HG2  ILE  88          3HG2      ILE  88   0.038  -3.736   5.393
  628   1HD1  ILE  88          1HD1      ILE  88  -2.457  -3.016   4.215
  629   2HD1  ILE  88          2HD1      ILE  88  -3.085  -1.841   5.367
  630   3HD1  ILE  88          3HD1      ILE  88  -1.777  -2.914   5.836
  631    H    ILE  89           H        ILE  89   1.388  -2.997   8.132
  632    HA   ILE  89           HA       ILE  89   4.249  -2.234   7.832
  633    HB   ILE  89           HB       ILE  89   2.549  -3.393   9.998
  634   1HG1  ILE  89          2HG1      ILE  89   3.865  -1.906  11.403
  635   2HG1  ILE  89          1HG1      ILE  89   5.017  -1.630  10.100
  636   1HG2  ILE  89          1HG2      ILE  89   5.452  -4.181   9.598
  637   2HG2  ILE  89          2HG2      ILE  89   4.065  -5.227   9.912
  638   3HG2  ILE  89          3HG2      ILE  89   4.681  -4.186  11.185
  639   1HD1  ILE  89          1HD1      ILE  89   3.542  -0.280   8.900
  640   2HD1  ILE  89          2HD1      ILE  89   3.095   0.120  10.556
  641   3HD1  ILE  89          3HD1      ILE  89   2.110  -1.011   9.632
  642    H    MET  90           H        MET  90   5.483  -3.468   6.553
  643    HA   MET  90           HA       MET  90   4.595  -6.048   5.628
  644   1HB   MET  90          2HB       MET  90   6.150  -4.265   4.460
  645   2HB   MET  90          1HB       MET  90   7.440  -5.137   5.285
  646   1HG   MET  90          2HG       MET  90   7.194  -6.200   3.156
  647   2HG   MET  90          1HG       MET  90   6.424  -7.271   4.322
  648   1HE   MET  90          1HE       MET  90   4.507  -8.529   2.812
  649   2HE   MET  90          2HE       MET  90   2.992  -7.715   3.207
  650   3HE   MET  90          3HE       MET  90   4.213  -7.935   4.448
  651    H    THR  91           H        THR  91   5.783  -8.047   5.897
  652    HA   THR  91           HA       THR  91   7.709  -8.281   8.090
  653    HB   THR  91           HB       THR  91   6.124 -10.225   9.011
  654    HG1  THR  91           1HG      THR  91   4.022  -9.873   8.672
  655   1HG2  THR  91          1HG2      THR  91   5.504  -7.346   9.683
  656   2HG2  THR  91          2HG2      THR  91   6.921  -8.214  10.276
  657   3HG2  THR  91          3HG2      THR  91   5.307  -8.753  10.728
  658    HA   PRO  92           HA       PRO  92   9.235 -11.381   5.384
  659   1HB   PRO  92          2HB       PRO  92   9.977 -13.372   7.228
  660   2HB   PRO  92          1HB       PRO  92  10.974 -11.995   6.733
  661   1HG   PRO  92          2HG       PRO  92   9.306 -12.358   9.176
  662   2HG   PRO  92          1HG       PRO  92  10.845 -11.502   8.976
  663   1HD   PRO  92          2HD       PRO  92   8.483 -10.181   9.189
  664   2HD   PRO  92          1HD       PRO  92   9.818  -9.564   8.190
  665    H    GLU  93           H        GLU  93   7.192 -12.788   7.953
  666    HA   GLU  93           HA       GLU  93   6.496 -15.165   6.554
  667   1HB   GLU  93          2HB       GLU  93   4.236 -14.817   7.956
  668   2HB   GLU  93          1HB       GLU  93   5.745 -15.256   8.751
  669   1HG   GLU  93          2HG       GLU  93   6.157 -13.028   9.450
  670   2HG   GLU  93          1HG       GLU  93   4.947 -12.370   8.351
  671    H    LEU  94           H        LEU  94   5.302 -11.903   6.288
  672    HA   LEU  94           HA       LEU  94   3.163 -12.672   4.387
  673   1HB   LEU  94          2HB       LEU  94   4.085  -9.990   5.454
  674   2HB   LEU  94          1HB       LEU  94   2.668 -10.209   4.480
  675    HG   LEU  94           HG       LEU  94   3.157 -10.969   7.339
  676   1HD1  LEU  94          1HD1      LEU  94   1.886  -9.007   6.951
  677   2HD1  LEU  94          2HD1      LEU  94   0.753 -10.229   7.504
  678   3HD1  LEU  94          3HD1      LEU  94   0.831  -9.813   5.787
  679   1HD2  LEU  94          1HD2      LEU  94   1.178 -12.436   5.558
  680   2HD2  LEU  94          2HD2      LEU  94   1.181 -12.468   7.326
  681   3HD2  LEU  94          3HD2      LEU  94   2.535 -13.149   6.450
  682    H    ASP  95           H        ASP  95   6.283 -12.651   3.996
  683    HA   ASP  95           HA       ASP  95   6.896 -10.882   1.883
  684   1HB   ASP  95          2HB       ASP  95   8.632 -12.566   1.292
  685   2HB   ASP  95          1HB       ASP  95   8.580 -12.257   3.023
  686    H    GLY  96           H        GLY  96   6.533 -10.933  -0.296
  687   1HA   GLY  96          2HA       GLY  96   6.072 -12.040  -2.412
  688   2HA   GLY  96          1HA       GLY  96   5.141 -13.255  -1.529
  689    H    ILE  97           H        ILE  97   4.352 -10.469  -0.095
  690    HA   ILE  97           HA       ILE  97   1.695 -10.465  -0.971
  691    HB   ILE  97           HB       ILE  97   2.451  -9.441   1.108
  692   1HG1  ILE  97          2HG1      ILE  97   0.267  -8.755  -0.281
  693   2HG1  ILE  97          1HG1      ILE  97   0.676  -7.965   1.222
  694   1HG2  ILE  97          1HG2      ILE  97   3.612  -7.346  -0.718
  695   2HG2  ILE  97          2HG2      ILE  97   4.451  -8.323   0.480
  696   3HG2  ILE  97          3HG2      ILE  97   3.312  -7.075   0.982
  697   1HD1  ILE  97          1HD1      ILE  97   0.089  -6.598  -1.002
  698   2HD1  ILE  97          2HD1      ILE  97   1.817  -6.741  -1.241
  699   3HD1  ILE  97          3HD1      ILE  97   1.193  -5.984   0.211
  700    H    VAL  98           H        VAL  98   0.476  -9.445  -2.462
  701    HA   VAL  98           HA       VAL  98   1.945  -7.903  -4.571
  702    HB   VAL  98           HB       VAL  98  -0.769  -9.146  -4.912
  703   1HG1  VAL  98          1HG1      VAL  98   0.018  -9.334  -7.253
  704   2HG1  VAL  98          2HG1      VAL  98   1.539  -8.572  -6.788
  705   3HG1  VAL  98          3HG1      VAL  98   0.030  -7.666  -6.682
  706   1HG2  VAL  98          1HG2      VAL  98   1.927 -10.520  -5.108
  707   2HG2  VAL  98          2HG2      VAL  98   0.433 -11.184  -5.767
  708   3HG2  VAL  98          3HG2      VAL  98   0.600 -10.953  -4.028
  709    H    VAL  99           H        VAL  99   1.600  -5.741  -4.523
  710    HA   VAL  99           HA       VAL  99  -0.914  -4.653  -3.336
  711    HB   VAL  99           HB       VAL  99   1.448  -2.982  -4.228
  712   1HG1  VAL  99          1HG1      VAL  99  -0.559  -1.838  -3.445
  713   2HG1  VAL  99          2HG1      VAL  99   0.716  -1.633  -2.247
  714   3HG1  VAL  99          3HG1      VAL  99  -0.579  -2.800  -1.972
  715   1HG2  VAL  99          1HG2      VAL  99   2.423  -4.826  -2.877
  716   2HG2  VAL  99          2HG2      VAL  99   1.307  -4.433  -1.570
  717   3HG2  VAL  99          3HG2      VAL  99   2.535  -3.269  -2.061
  718    H    ASP 100           H        ASP 100  -2.384  -3.868  -4.728
  719    HA   ASP 100           HA       ASP 100  -1.637  -3.420  -7.573
  720   1HB   ASP 100          2HB       ASP 100  -4.030  -4.369  -6.139
  721   2HB   ASP 100          1HB       ASP 100  -4.387  -3.279  -7.481
  722    H    VAL 101           H        VAL 101  -1.250  -1.400  -8.162
  723    HA   VAL 101           HA       VAL 101  -2.404   0.844  -6.592
  724    HB   VAL 101           HB       VAL 101  -0.176   0.935  -8.632
  725   1HG1  VAL 101          1HG1      VAL 101  -1.288   3.086  -8.140
  726   2HG1  VAL 101          2HG1      VAL 101   0.362   3.060  -7.513
  727   3HG1  VAL 101          3HG1      VAL 101  -0.998   2.834  -6.420
  728   1HG2  VAL 101          1HG2      VAL 101   1.330   0.977  -6.634
  729   2HG2  VAL 101          2HG2      VAL 101   0.478  -0.558  -6.811
  730   3HG2  VAL 101          3HG2      VAL 101  -0.062   0.621  -5.615
  731    HA   PRO 102           HA       PRO 102  -4.989   1.542 -10.268
  732   1HB   PRO 102          2HB       PRO 102  -6.418   3.641  -9.399
  733   2HB   PRO 102          1HB       PRO 102  -6.577   2.057  -8.626
  734   1HG   PRO 102          2HG       PRO 102  -4.945   4.399  -7.746
  735   2HG   PRO 102          1HG       PRO 102  -6.059   3.394  -6.801
  736   1HD   PRO 102          2HD       PRO 102  -3.349   2.983  -6.794
  737   2HD   PRO 102          1HD       PRO 102  -4.531   1.676  -6.559
  738    H    ASP 103           H        ASP 103  -5.799   3.662 -11.428
  739    HA   ASP 103           HA       ASP 103  -3.414   5.083 -12.417
  740   1HB   ASP 103          2HB       ASP 103  -5.235   4.241 -13.945
  741   2HB   ASP 103          1HB       ASP 103  -6.314   5.440 -13.235
  742    H    ARG 104           H        ARG 104  -5.943   5.562 -10.154
  743    HA   ARG 104           HA       ARG 104  -5.148   8.431  -9.822
  744   1HB   ARG 104          2HB       ARG 104  -7.909   7.575  -8.985
  745   2HB   ARG 104          1HB       ARG 104  -7.345   9.138  -9.557
  746   1HG   ARG 104          2HG       ARG 104  -7.058   7.392 -11.789
  747   2HG   ARG 104          1HG       ARG 104  -8.606   6.963 -11.078
  748   1HD   ARG 104          2HD       ARG 104  -9.102   8.685 -12.622
  749   2HD   ARG 104          1HD       ARG 104  -9.067   9.507 -11.063
  750    HE   ARG 104           HE       ARG 104  -6.447   9.652 -12.005
  751   1HH1  ARG 104          1HH2      ARG 104  -9.590  10.489 -13.184
  752   2HH1  ARG 104          2HH2      ARG 104  -9.047  11.907 -14.016
  753   1HH2  ARG 104          1HH1      ARG 104  -5.723  11.502 -13.087
  754   2HH2  ARG 104          2HH1      ARG 104  -6.851  12.490 -13.956
  755    H    GLN 105           H        GLN 105  -4.137   8.583  -7.848
  756    HA   GLN 105           HA       GLN 105  -5.024   6.691  -5.689
  757   1HB   GLN 105          2HB       GLN 105  -2.424   7.179  -6.831
  758   2HB   GLN 105          1HB       GLN 105  -2.388   7.843  -5.203
  759   1HG   GLN 105          2HG       GLN 105  -2.978   5.740  -4.235
  760   2HG   GLN 105          1HG       GLN 105  -3.408   5.062  -5.801
  761   1HE2  GLN 105          1HE2      GLN 105  -1.316   5.535  -7.437
  762   2HE2  GLN 105          2HE2      GLN 105   0.135   4.926  -6.807
  763    H    TRP 106           H        TRP 106  -4.758   9.858  -6.791
  764    HA   TRP 106           HA       TRP 106  -4.355  11.409  -4.461
  765   1HB   TRP 106          2HB       TRP 106  -4.606  12.354  -6.766
  766   2HB   TRP 106          1HB       TRP 106  -6.338  12.026  -6.679
  767    HD1  TRP 106           HD       TRP 106  -7.823  13.664  -5.311
  768    HE1  TRP 106           1HE      TRP 106  -7.350  15.853  -4.013
  769    HE3  TRP 106           3HE      TRP 106  -2.716  13.607  -5.290
  770    HZ2  TRP 106           2HZ      TRP 106  -5.115  17.371  -3.106
  771    HZ3  TRP 106           3HZ      TRP 106  -1.442  15.435  -4.207
  772    HH2  TRP 106           HH       TRP 106  -2.634  17.315  -3.114
  Start of MODEL   11
    1   1H    SER   1          1HT       SER   1  11.342  -9.489   4.274
    2   2H    SER   1          2HT       SER   1  10.720  -8.034   3.653
    3   3H    SER   1          3HT       SER   1  11.839  -8.936   2.750
    4    HA   SER   1           HA       SER   1  10.117 -10.803   2.833
    5   1HB   SER   1          2HB       SER   1   8.014  -8.709   2.943
    6   2HB   SER   1          1HB       SER   1   8.035 -10.316   3.658
    7    HG   SER   1           HG       SER   1   8.940  -7.877   4.661
    8    H    LYS   2           H        LYS   2   8.869 -11.008   0.778
    9    HA   LYS   2           HA       LYS   2   9.986  -9.238  -1.274
   10   1HB   LYS   2          2HB       LYS   2   8.527 -11.838  -1.163
   11   2HB   LYS   2          1HB       LYS   2   8.207 -10.869  -2.589
   12   1HG   LYS   2          2HG       LYS   2  11.042 -11.368  -1.675
   13   2HG   LYS   2          1HG       LYS   2  10.191 -12.568  -2.648
   14   1HD   LYS   2          2HD       LYS   2   9.739 -10.786  -4.355
   15   2HD   LYS   2          1HD       LYS   2  10.745  -9.685  -3.416
   16   1HE   LYS   2          2HE       LYS   2  12.670 -11.158  -3.667
   17   2HE   LYS   2          1HE       LYS   2  11.680 -12.349  -4.510
   18   1HZ   LYS   2          1HZ       LYS   2  11.663 -11.138  -6.396
   19   2HZ   LYS   2          2HZ       LYS   2  13.104 -10.498  -5.758
   20   3HZ   LYS   2          3HZ       LYS   2  11.644  -9.648  -5.582
   21    H    VAL   3           H        VAL   3   8.921  -7.352  -1.825
   22    HA   VAL   3           HA       VAL   3   5.978  -7.224  -1.350
   23    HB   VAL   3           HB       VAL   3   8.199  -5.181  -1.199
   24   1HG1  VAL   3          1HG1      VAL   3   6.056  -4.264  -2.224
   25   2HG1  VAL   3          2HG1      VAL   3   6.627  -3.464  -0.768
   26   3HG1  VAL   3          3HG1      VAL   3   5.281  -4.605  -0.673
   27   1HG2  VAL   3          1HG2      VAL   3   8.188  -6.274   0.855
   28   2HG2  VAL   3          2HG2      VAL   3   6.459  -6.597   0.804
   29   3HG2  VAL   3          3HG2      VAL   3   7.037  -4.980   1.170
   30    H    VAL   4           H        VAL   4   4.831  -7.103  -3.218
   31    HA   VAL   4           HA       VAL   4   6.252  -6.068  -5.665
   32    HB   VAL   4           HB       VAL   4   4.038  -8.076  -5.398
   33   1HG1  VAL   4          1HG1      VAL   4   5.300  -6.781  -7.809
   34   2HG1  VAL   4          2HG1      VAL   4   3.587  -6.849  -7.400
   35   3HG1  VAL   4          3HG1      VAL   4   4.429  -8.311  -7.912
   36   1HG2  VAL   4          1HG2      VAL   4   6.410  -8.779  -4.863
   37   2HG2  VAL   4          2HG2      VAL   4   6.810  -8.406  -6.539
   38   3HG2  VAL   4          3HG2      VAL   4   5.645  -9.678  -6.169
   39    H    TYR   5           H        TYR   5   5.392  -4.474  -6.693
   40    HA   TYR   5           HA       TYR   5   2.744  -3.341  -5.897
   41   1HB   TYR   5          2HB       TYR   5   5.238  -1.938  -6.910
   42   2HB   TYR   5          1HB       TYR   5   3.670  -1.150  -6.737
   43    HD1  TYR   5           1HD      TYR   5   6.592  -2.471  -5.002
   44    HD2  TYR   5           2HD      TYR   5   2.630  -0.895  -4.481
   45    HE1  TYR   5           1HE      TYR   5   7.039  -2.106  -2.599
   46    HE2  TYR   5           2HE      TYR   5   3.096  -0.520  -2.074
   47    HH   TYR   5           HH       TYR   5   6.269  -0.760  -0.763
   48    H    VAL   6           H        VAL   6   1.248  -3.566  -7.495
   49    HA   VAL   6           HA       VAL   6   2.220  -3.960 -10.306
   50    HB   VAL   6           HB       VAL   6  -0.622  -4.360  -9.353
   51   1HG1  VAL   6          1HG1      VAL   6  -0.242  -4.238 -11.777
   52   2HG1  VAL   6          2HG1      VAL   6  -0.667  -5.885 -11.315
   53   3HG1  VAL   6          3HG1      VAL   6   1.009  -5.470 -11.655
   54   1HG2  VAL   6          1HG2      VAL   6   0.613  -5.821  -7.932
   55   2HG2  VAL   6          2HG2      VAL   6   1.744  -6.242  -9.220
   56   3HG2  VAL   6          3HG2      VAL   6   0.082  -6.832  -9.275
   57    H    SER   7           H        SER   7   2.242  -2.148 -11.434
   58    HA   SER   7           HA       SER   7   0.850   0.235 -10.544
   59   1HB   SER   7          2HB       SER   7   1.866   1.253 -12.606
   60   2HB   SER   7          1HB       SER   7   3.042   0.486 -11.537
   61    HG   SER   7           HG       SER   7   3.041  -1.301 -12.900
   62    H    HIS   8           H        HIS   8  -0.109   1.554 -12.504
   63    HA   HIS   8           HA       HIS   8  -2.553   0.138 -13.256
   64   1HB   HIS   8          2HB       HIS   8  -2.416   2.659 -14.639
   65   2HB   HIS   8          1HB       HIS   8  -3.378   2.268 -13.223
   66    HD1  HIS   8           1HD      HIS   8  -1.182   1.985 -11.085
   67    HD2  HIS   8           2HD      HIS   8  -1.260   5.061 -13.906
   68    HE1  HIS   8           1HE      HIS   8   0.153   3.900 -10.104
   69    HE2  HIS   8           2HE      HIS   8   0.117   5.774 -11.810
   70    H    ASP   9           H        ASP   9   0.295   1.472 -14.909
   71    HA   ASP   9           HA       ASP   9  -0.541   0.708 -17.544
   72   1HB   ASP   9          2HB       ASP   9   1.881   0.985 -18.121
   73   2HB   ASP   9          1HB       ASP   9   1.213   2.365 -17.256
   74    H    GLY  10           H        GLY  10   0.369  -1.259 -14.922
   75   1HA   GLY  10          2HA       GLY  10   0.259  -3.668 -15.110
   76   2HA   GLY  10          1HA       GLY  10   0.790  -3.547 -16.787
   77    H    THR  11           H        THR  11   2.853  -1.456 -15.519
   78    HA   THR  11           HA       THR  11   4.988  -3.389 -15.421
   79    HB   THR  11           HB       THR  11   4.878  -0.671 -15.877
   80    HG1  THR  11           1HG      THR  11   6.841  -1.072 -16.532
   81   1HG2  THR  11          1HG2      THR  11   6.315   0.432 -14.253
   82   2HG2  THR  11          2HG2      THR  11   6.464  -1.051 -13.319
   83   3HG2  THR  11          3HG2      THR  11   4.913  -0.216 -13.406
   84    H    ARG  12           H        ARG  12   5.747  -4.469 -13.785
   85    HA   ARG  12           HA       ARG  12   4.738  -3.863 -11.027
   86   1HB   ARG  12          2HB       ARG  12   6.058  -6.450 -11.869
   87   2HB   ARG  12          1HB       ARG  12   5.059  -6.142 -10.455
   88   1HG   ARG  12          2HG       ARG  12   3.232  -5.515 -12.295
   89   2HG   ARG  12          1HG       ARG  12   4.228  -6.543 -13.313
   90   1HD   ARG  12          2HD       ARG  12   3.928  -8.036 -10.943
   91   2HD   ARG  12          1HD       ARG  12   2.348  -7.320 -11.212
   92    HE   ARG  12           HE       ARG  12   2.254  -8.425 -13.378
   93   1HH1  ARG  12          1HH2      ARG  12   5.015  -9.274 -11.411
   94   2HH1  ARG  12          2HH2      ARG  12   5.277 -10.768 -12.244
   95   1HH2  ARG  12          1HH1      ARG  12   2.616 -10.360 -14.420
   96   2HH2  ARG  12          2HH1      ARG  12   3.928 -11.380 -13.935
   97    H    ARG  13           H        ARG  13   6.157  -3.544  -9.339
   98    HA   ARG  13           HA       ARG  13   9.086  -3.789  -9.883
   99   1HB   ARG  13          2HB       ARG  13   8.362  -1.353  -9.945
  100   2HB   ARG  13          1HB       ARG  13   7.849  -1.543  -8.265
  101   1HG   ARG  13          2HG       ARG  13  10.173  -2.332  -7.720
  102   2HG   ARG  13          1HG       ARG  13  10.652  -1.917  -9.368
  103   1HD   ARG  13          2HD       ARG  13   9.355   0.084  -7.517
  104   2HD   ARG  13          1HD       ARG  13  11.094  -0.168  -7.532
  105    HE   ARG  13           HE       ARG  13  11.206   0.826  -9.697
  106   1HH1  ARG  13          1HH2      ARG  13   7.946   0.283  -8.671
  107   2HH1  ARG  13          2HH2      ARG  13   7.277   1.501  -9.704
  108   1HH2  ARG  13          1HH1      ARG  13  10.327   2.432 -11.049
  109   2HH2  ARG  13          2HH1      ARG  13   8.617   2.712 -11.042
  110    H    GLU  14           H        GLU  14   9.988  -4.990  -8.321
  111    HA   GLU  14           HA       GLU  14   8.387  -5.587  -5.895
  112   1HB   GLU  14          2HB       GLU  14  10.684  -7.269  -6.861
  113   2HB   GLU  14          1HB       GLU  14   9.249  -7.760  -5.958
  114   1HG   GLU  14          2HG       GLU  14   7.918  -7.035  -8.071
  115   2HG   GLU  14          1HG       GLU  14   9.476  -7.069  -8.896
  116    H    LEU  15           H        LEU  15   9.220  -4.997  -3.915
  117    HA   LEU  15           HA       LEU  15  12.122  -4.218  -3.745
  118   1HB   LEU  15          2HB       LEU  15  10.328  -3.097  -1.655
  119   2HB   LEU  15          1HB       LEU  15  11.602  -2.309  -2.558
  120    HG   LEU  15           HG       LEU  15   8.851  -2.909  -3.542
  121   1HD1  LEU  15          1HD1      LEU  15   8.491  -0.476  -3.223
  122   2HD1  LEU  15          2HD1      LEU  15  10.153  -0.292  -2.689
  123   3HD1  LEU  15          3HD1      LEU  15   9.009  -1.200  -1.705
  124   1HD2  LEU  15          1HD2      LEU  15  10.950  -2.612  -5.196
  125   2HD2  LEU  15          2HD2      LEU  15  10.683  -0.910  -4.852
  126   3HD2  LEU  15          3HD2      LEU  15   9.398  -1.871  -5.561
  127    H    ASP  16           H        ASP  16  12.953  -4.369  -1.557
  128    HA   ASP  16           HA       ASP  16  11.864  -6.723  -0.061
  129   1HB   ASP  16          2HB       ASP  16  14.220  -6.438   1.068
  130   2HB   ASP  16          1HB       ASP  16  14.144  -7.181  -0.521
  131    H    VAL  17           H        VAL  17  10.589  -5.959   1.656
  132    HA   VAL  17           HA       VAL  17  11.312  -3.297   2.864
  133    HB   VAL  17           HB       VAL  17   8.611  -4.722   2.878
  134   1HG1  VAL  17          1HG1      VAL  17   8.004  -2.160   3.272
  135   2HG1  VAL  17          2HG1      VAL  17   9.637  -2.106   3.917
  136   3HG1  VAL  17          3HG1      VAL  17   8.444  -3.215   4.607
  137   1HG2  VAL  17          1HG2      VAL  17   8.072  -2.903   1.161
  138   2HG2  VAL  17          2HG2      VAL  17   9.160  -4.169   0.598
  139   3HG2  VAL  17          3HG2      VAL  17   9.804  -2.610   1.057
  140    H    ALA  18           H        ALA  18  12.174  -3.452   4.827
  141    HA   ALA  18           HA       ALA  18  12.458  -5.978   6.154
  142   1HB   ALA  18          1HB       ALA  18  13.749  -4.821   7.758
  143   2HB   ALA  18          2HB       ALA  18  12.912  -3.300   7.462
  144   3HB   ALA  18          3HB       ALA  18  14.022  -3.943   6.255
  145    H    ASP  19           H        ASP  19  11.842  -6.401   8.341
  146    HA   ASP  19           HA       ASP  19   9.039  -6.259   8.803
  147   1HB   ASP  19          2HB       ASP  19   9.561  -7.193  11.003
  148   2HB   ASP  19          1HB       ASP  19  10.539  -7.986   9.777
  149    H    GLY  20           H        GLY  20   7.844  -4.929   9.954
  150   1HA   GLY  20          2HA       GLY  20   7.305  -3.132  11.459
  151   2HA   GLY  20          1HA       GLY  20   9.018  -2.871  11.708
  152    H    VAL  21           H        VAL  21   8.714  -2.908   8.349
  153    HA   VAL  21           HA       VAL  21   8.674   0.062   8.342
  154    HB   VAL  21           HB       VAL  21   9.274  -1.905   6.143
  155   1HG1  VAL  21          1HG1      VAL  21   8.615   0.116   5.144
  156   2HG1  VAL  21          2HG1      VAL  21  10.377   0.141   5.128
  157   3HG1  VAL  21          3HG1      VAL  21   9.494   1.077   6.329
  158   1HG2  VAL  21          1HG2      VAL  21  11.577  -1.629   6.525
  159   2HG2  VAL  21          2HG2      VAL  21  10.885  -1.866   8.138
  160   3HG2  VAL  21          3HG2      VAL  21  11.310  -0.244   7.594
  161    H    SER  22           H        SER  22   7.202   1.209   7.010
  162    HA   SER  22           HA       SER  22   4.707  -0.250   6.427
  163   1HB   SER  22          2HB       SER  22   3.897   2.077   5.768
  164   2HB   SER  22          1HB       SER  22   4.362   1.881   7.449
  165    HG   SER  22           HG       SER  22   6.533   2.587   6.582
  166    H    LEU  23           H        LEU  23   3.908  -0.601   4.315
  167    HA   LEU  23           HA       LEU  23   5.697  -0.983   2.184
  168   1HB   LEU  23          2HB       LEU  23   2.755  -0.258   2.131
  169   2HB   LEU  23          1HB       LEU  23   3.654  -0.757   0.697
  170    HG   LEU  23           HG       LEU  23   3.291  -2.424   3.210
  171   1HD1  LEU  23          1HD1      LEU  23   2.108  -2.678   0.429
  172   2HD1  LEU  23          2HD1      LEU  23   1.230  -2.196   1.882
  173   3HD1  LEU  23          3HD1      LEU  23   1.876  -3.832   1.748
  174   1HD2  LEU  23          1HD2      LEU  23   4.934  -2.762   0.718
  175   2HD2  LEU  23          2HD2      LEU  23   4.166  -4.196   1.395
  176   3HD2  LEU  23          3HD2      LEU  23   5.291  -3.259   2.370
  177    H    MET  24           H        MET  24   3.817   1.888   3.022
  178    HA   MET  24           HA       MET  24   4.490   3.463   0.753
  179   1HB   MET  24          2HB       MET  24   2.730   4.027   2.417
  180   2HB   MET  24          1HB       MET  24   3.989   4.361   3.599
  181   1HG   MET  24          2HG       MET  24   4.812   5.953   1.494
  182   2HG   MET  24          1HG       MET  24   3.064   6.013   1.305
  183   1HE   MET  24          1HE       MET  24   6.083   7.356   2.875
  184   2HE   MET  24          2HE       MET  24   5.863   6.083   4.069
  185   3HE   MET  24          3HE       MET  24   5.705   7.770   4.550
  186    H    GLN  25           H        GLN  25   6.183   2.971   3.862
  187    HA   GLN  25           HA       GLN  25   8.176   4.964   3.491
  188   1HB   GLN  25          2HB       GLN  25   8.051   2.401   5.054
  189   2HB   GLN  25          1HB       GLN  25   9.602   3.220   4.908
  190   1HG   GLN  25          2HG       GLN  25   8.803   5.175   5.984
  191   2HG   GLN  25          1HG       GLN  25   7.118   4.696   5.786
  192   1HE2  GLN  25          1HE2      GLN  25   6.315   4.172   7.829
  193   2HE2  GLN  25          2HE2      GLN  25   7.137   3.242   8.991
  194    H    ALA  26           H        ALA  26   8.420   1.432   2.724
  195    HA   ALA  26           HA       ALA  26  10.920   1.788   1.313
  196   1HB   ALA  26          1HB       ALA  26   8.821  -0.381   1.189
  197   2HB   ALA  26          2HB       ALA  26  10.352  -0.410   2.066
  198   3HB   ALA  26          3HB       ALA  26  10.342  -0.458   0.307
  199    H    ALA  27           H        ALA  27   7.588   2.239   0.291
  200    HA   ALA  27           HA       ALA  27   8.014   2.039  -2.528
  201   1HB   ALA  27          1HB       ALA  27   5.909   3.348  -2.650
  202   2HB   ALA  27          2HB       ALA  27   6.035   3.699  -0.944
  203   3HB   ALA  27          3HB       ALA  27   5.778   2.041  -1.477
  204    H    VAL  28           H        VAL  28   8.076   4.816  -0.283
  205    HA   VAL  28           HA       VAL  28   8.710   6.781  -2.270
  206    HB   VAL  28           HB       VAL  28   9.218   6.722   0.709
  207   1HG1  VAL  28          1HG1      VAL  28   9.343   9.250   0.385
  208   2HG1  VAL  28          2HG1      VAL  28   9.528   8.928  -1.331
  209   3HG1  VAL  28          3HG1      VAL  28  10.734   8.337  -0.192
  210   1HG2  VAL  28          1HG2      VAL  28   7.126   8.239  -0.854
  211   2HG2  VAL  28          2HG2      VAL  28   7.187   7.980   0.877
  212   3HG2  VAL  28          3HG2      VAL  28   6.833   6.632  -0.195
  213    H    SER  29           H        SER  29  10.630   4.382  -0.675
  214    HA   SER  29           HA       SER  29  13.183   5.746  -1.197
  215   1HB   SER  29          2HB       SER  29  13.731   4.382   0.533
  216   2HB   SER  29          1HB       SER  29  12.207   3.528   0.349
  217    HG   SER  29           HG       SER  29  13.212   1.982  -0.646
  218    H    ASN  30           H        ASN  30  11.026   3.636  -2.817
  219    HA   ASN  30           HA       ASN  30  13.119   2.900  -4.830
  220   1HB   ASN  30          2HB       ASN  30  10.501   1.611  -4.044
  221   2HB   ASN  30          1HB       ASN  30  11.347   1.212  -5.531
  222   1HD2  ASN  30          1HD2      ASN  30  12.046   1.513  -2.006
  223   2HD2  ASN  30          2HD2      ASN  30  13.123   0.203  -1.964
  224    H    GLY  31           H        GLY  31  11.302   5.401  -4.352
  225   1HA   GLY  31          2HA       GLY  31  10.122   6.884  -5.731
  226   2HA   GLY  31          1HA       GLY  31  11.025   6.131  -7.043
  227    H    ILE  32           H        ILE  32   8.278   5.111  -4.928
  228    HA   ILE  32           HA       ILE  32   6.881   4.224  -7.435
  229    HB   ILE  32           HB       ILE  32   6.763   3.025  -4.675
  230   1HG1  ILE  32          2HG1      ILE  32   7.708   1.925  -7.307
  231   2HG1  ILE  32          1HG1      ILE  32   8.777   2.517  -6.045
  232   1HG2  ILE  32          1HG2      ILE  32   5.326   1.300  -5.896
  233   2HG2  ILE  32          2HG2      ILE  32   5.212   2.469  -7.212
  234   3HG2  ILE  32          3HG2      ILE  32   4.562   2.861  -5.615
  235   1HD1  ILE  32          1HD1      ILE  32   7.372  -0.054  -6.255
  236   2HD1  ILE  32          2HD1      ILE  32   7.160   0.716  -4.677
  237   3HD1  ILE  32          3HD1      ILE  32   8.781   0.385  -5.294
  238    H    TYR  33           H        TYR  33   6.126   5.233  -4.077
  239    HA   TYR  33           HA       TYR  33   3.612   6.443  -5.164
  240   1HB   TYR  33          2HB       TYR  33   4.032   4.665  -2.973
  241   2HB   TYR  33          1HB       TYR  33   3.620   6.217  -2.260
  242    HD1  TYR  33           1HD      TYR  33   1.514   7.392  -2.977
  243    HD2  TYR  33           2HD      TYR  33   2.412   3.355  -4.136
  244    HE1  TYR  33           1HE      TYR  33  -0.856   7.043  -3.599
  245    HE2  TYR  33           2HE      TYR  33   0.033   3.003  -4.742
  246    HH   TYR  33           HH       TYR  33  -1.971   4.970  -5.497
  247    H    ASP  34           H        ASP  34   6.619   7.480  -4.574
  248    HA   ASP  34           HA       ASP  34   6.340   9.525  -2.647
  249   1HB   ASP  34          2HB       ASP  34   8.130  10.686  -4.113
  250   2HB   ASP  34          1HB       ASP  34   8.535   9.109  -3.437
  251    H    ILE  35           H        ILE  35   6.917  10.748  -5.782
  252    HA   ILE  35           HA       ILE  35   5.831  12.390  -7.070
  253    HB   ILE  35           HB       ILE  35   3.254  11.416  -5.823
  254   1HG1  ILE  35          2HG1      ILE  35   4.435   9.415  -6.497
  255   2HG1  ILE  35          1HG1      ILE  35   3.222   9.762  -7.730
  256   1HG2  ILE  35          1HG2      ILE  35   3.045  13.364  -7.259
  257   2HG2  ILE  35          2HG2      ILE  35   2.397  11.961  -8.108
  258   3HG2  ILE  35          3HG2      ILE  35   3.995  12.579  -8.518
  259   1HD1  ILE  35          1HD1      ILE  35   6.205  10.215  -7.866
  260   2HD1  ILE  35          2HD1      ILE  35   5.098  11.038  -8.961
  261   3HD1  ILE  35          3HD1      ILE  35   5.189   9.278  -8.964
  262    H    VAL  36           H        VAL  36   3.810  12.240  -4.105
  263    HA   VAL  36           HA       VAL  36   4.765  14.961  -3.362
  264    HB   VAL  36           HB       VAL  36   1.880  14.169  -3.862
  265   1HG1  VAL  36          1HG1      VAL  36   1.791  15.252  -1.739
  266   2HG1  VAL  36          2HG1      VAL  36   1.401  16.505  -2.914
  267   3HG1  VAL  36          3HG1      VAL  36   3.014  16.433  -2.208
  268   1HG2  VAL  36          1HG2      VAL  36   3.252  15.130  -5.734
  269   2HG2  VAL  36          2HG2      VAL  36   3.506  16.571  -4.756
  270   3HG2  VAL  36          3HG2      VAL  36   1.880  16.141  -5.286
  271    H    GLY  37           H        GLY  37   2.077  12.896  -2.219
  272   1HA   GLY  37          2HA       GLY  37   1.963  11.616  -0.212
  273   2HA   GLY  37          1HA       GLY  37   3.604  12.130   0.178
  274    H    ASP  38           H        ASP  38   0.237  12.828   0.581
  275    HA   ASP  38           HA       ASP  38   0.510  15.531   1.542
  276   1HB   ASP  38          2HB       ASP  38  -1.630  13.436   1.928
  277   2HB   ASP  38          1HB       ASP  38  -1.764  15.069   2.573
  278    H    CYS  39           H        CYS  39  -0.493  12.730   3.558
  279    HA   CYS  39           HA       CYS  39   0.503  14.071   5.928
  280   1HB   CYS  39          2HB       CYS  39  -0.358  12.274   7.161
  281   2HB   CYS  39          1HB       CYS  39  -1.428  12.348   5.769
  282    H    GLY  40           H        GLY  40   1.999  12.133   3.547
  283   1HA   GLY  40          2HA       GLY  40   4.247  11.456   3.378
  284   2HA   GLY  40          1HA       GLY  40   4.556  12.327   4.877
  285    H    GLY  41           H        GLY  41   2.036   9.935   4.842
  286   1HA   GLY  41          2HA       GLY  41   2.107   7.642   5.534
  287   2HA   GLY  41          1HA       GLY  41   3.815   7.828   5.927
  288    H    SER  42           H        SER  42   1.691  10.303   7.061
  289    HA   SER  42           HA       SER  42   2.134   9.358   9.856
  290   1HB   SER  42          2HB       SER  42   1.450  11.996   8.592
  291   2HB   SER  42          1HB       SER  42   1.021  11.725  10.274
  292    HG   SER  42           HG       SER  42   3.028  12.196  10.648
  293    H    ALA  43           H        ALA  43   0.016   8.540   7.659
  294    HA   ALA  43           HA       ALA  43  -2.208   7.810   7.689
  295   1HB   ALA  43          1HB       ALA  43  -2.970   6.883   9.722
  296   2HB   ALA  43          2HB       ALA  43  -2.114   8.078  10.700
  297   3HB   ALA  43          3HB       ALA  43  -1.216   6.807   9.871
  298    H    SER  44           H        SER  44  -2.265  10.312   6.946
  299    HA   SER  44           HA       SER  44  -4.564  11.461   8.418
  300   1HB   SER  44          2HB       SER  44  -2.355  13.363   7.691
  301   2HB   SER  44          1HB       SER  44  -3.592  13.511   8.936
  302    HG   SER  44           HG       SER  44  -2.188  12.699  10.250
  303    H    CYS  45           H        CYS  45  -3.770  10.264   5.666
  304    HA   CYS  45           HA       CYS  45  -5.337  12.244   4.126
  305   1HB   CYS  45          2HB       CYS  45  -3.769  12.638   2.438
  306   2HB   CYS  45          1HB       CYS  45  -2.757  12.652   3.878
  307    H    ALA  46           H        ALA  46  -5.613  11.258   1.781
  308    HA   ALA  46           HA       ALA  46  -6.094   8.305   2.049
  309   1HB   ALA  46          1HB       ALA  46  -8.107  10.054   2.001
  310   2HB   ALA  46          2HB       ALA  46  -8.216   8.535   1.118
  311   3HB   ALA  46          3HB       ALA  46  -7.804  10.023   0.265
  312    H    THR  47           H        THR  47  -3.978  10.245   0.788
  313    HA   THR  47           HA       THR  47  -4.147   9.845  -2.056
  314    HB   THR  47           HB       THR  47  -1.741  10.482  -2.052
  315    HG1  THR  47           1HG      THR  47  -0.621  10.391  -0.271
  316   1HG2  THR  47          1HG2      THR  47  -3.573  12.192  -1.879
  317   2HG2  THR  47          2HG2      THR  47  -2.049  12.715  -1.164
  318   3HG2  THR  47          3HG2      THR  47  -3.368  12.165  -0.126
  319    H    CYS  48           H        CYS  48  -2.852   7.927   0.583
  320    HA   CYS  48           HA       CYS  48  -1.388   6.102  -1.126
  321   1HB   CYS  48          2HB       CYS  48  -1.413   4.667   0.987
  322   2HB   CYS  48          1HB       CYS  48  -0.632   6.241   1.111
  323    H    HIS  49           H        HIS  49  -4.065   6.443  -2.041
  324    HA   HIS  49           HA       HIS  49  -5.771   4.240  -1.247
  325   1HB   HIS  49          2HB       HIS  49  -6.739   6.182  -2.311
  326   2HB   HIS  49          1HB       HIS  49  -5.643   6.060  -3.656
  327    HD1  HIS  49           1HD      HIS  49  -8.160   3.593  -2.112
  328    HD2  HIS  49           2HD      HIS  49  -7.042   5.175  -5.780
  329    HE1  HIS  49           1HE      HIS  49  -9.624   2.456  -3.866
  330    HE2  HIS  49           2HE      HIS  49  -8.937   3.423  -6.098
  331    H    VAL  50           H        VAL  50  -4.958   2.116  -1.538
  332    HA   VAL  50           HA       VAL  50  -4.154   1.398  -4.317
  333    HB   VAL  50           HB       VAL  50  -2.105   0.448  -3.786
  334   1HG1  VAL  50          1HG1      VAL  50  -2.192   2.430  -1.515
  335   2HG1  VAL  50          2HG1      VAL  50  -2.149   2.932  -3.203
  336   3HG1  VAL  50          3HG1      VAL  50  -0.821   1.993  -2.526
  337   1HG2  VAL  50          1HG2      VAL  50  -3.227   0.061  -1.007
  338   2HG2  VAL  50          2HG2      VAL  50  -1.502  -0.120  -1.327
  339   3HG2  VAL  50          3HG2      VAL  50  -2.666  -1.161  -2.149
  340    H    TYR  51           H        TYR  51  -4.049  -1.123  -4.437
  341    HA   TYR  51           HA       TYR  51  -6.265  -2.240  -2.766
  342   1HB   TYR  51          2HB       TYR  51  -5.511  -2.647  -5.649
  343   2HB   TYR  51          1HB       TYR  51  -6.734  -3.583  -4.828
  344    HD1  TYR  51           1HD      TYR  51  -8.769  -2.302  -3.815
  345    HD2  TYR  51           2HD      TYR  51  -5.914  -0.479  -6.461
  346    HE1  TYR  51           1HE      TYR  51 -10.341  -0.441  -4.259
  347    HE2  TYR  51           2HE      TYR  51  -7.501   1.344  -6.877
  348    HH   TYR  51           HH       TYR  51 -10.768   1.251  -5.867
  349    H    VAL  52           H        VAL  52  -5.420  -3.602  -1.424
  350    HA   VAL  52           HA       VAL  52  -2.910  -5.081  -1.942
  351    HB   VAL  52           HB       VAL  52  -4.708  -5.139   0.496
  352   1HG1  VAL  52          1HG1      VAL  52  -2.256  -6.637  -0.277
  353   2HG1  VAL  52          2HG1      VAL  52  -3.528  -7.080   0.841
  354   3HG1  VAL  52          3HG1      VAL  52  -2.249  -5.983   1.356
  355   1HG2  VAL  52          1HG2      VAL  52  -3.146  -3.638   1.516
  356   2HG2  VAL  52          2HG2      VAL  52  -3.538  -2.937  -0.052
  357   3HG2  VAL  52          3HG2      VAL  52  -2.011  -3.788   0.173
  358    H    ASN  53           H        ASN  53  -2.831  -7.231  -2.470
  359    HA   ASN  53           HA       ASN  53  -5.150  -8.566  -3.419
  360   1HB   ASN  53          2HB       ASN  53  -3.089  -9.423  -4.167
  361   2HB   ASN  53          1HB       ASN  53  -2.447  -9.575  -2.529
  362   1HD2  ASN  53          1HD2      ASN  53  -2.047 -11.889  -3.509
  363   2HD2  ASN  53          2HD2      ASN  53  -3.295 -13.021  -3.285
  364    H    GLU  54           H        GLU  54  -6.851  -9.284  -2.264
  365    HA   GLU  54           HA       GLU  54  -7.255  -9.105   0.449
  366   1HB   GLU  54          2HB       GLU  54  -9.046 -10.782   0.198
  367   2HB   GLU  54          1HB       GLU  54  -9.042  -9.633  -1.136
  368   1HG   GLU  54          2HG       GLU  54  -7.737 -11.260  -2.496
  369   2HG   GLU  54          1HG       GLU  54  -7.836 -12.418  -1.165
  370    H    ALA  55           H        ALA  55  -4.922 -11.148  -0.821
  371    HA   ALA  55           HA       ALA  55  -5.288 -13.314   1.124
  372   1HB   ALA  55          1HB       ALA  55  -4.394 -13.967  -1.000
  373   2HB   ALA  55          2HB       ALA  55  -3.078 -14.105   0.161
  374   3HB   ALA  55          3HB       ALA  55  -3.144 -12.724  -0.926
  375    H    PHE  56           H        PHE  56  -3.660 -10.189   1.200
  376    HA   PHE  56           HA       PHE  56  -2.044 -11.116   3.534
  377   1HB   PHE  56          2HB       PHE  56  -1.617  -8.847   1.545
  378   2HB   PHE  56          1HB       PHE  56  -0.602  -9.145   2.960
  379    HD1  PHE  56           1HD      PHE  56  -1.934 -10.841  -0.101
  380    HD2  PHE  56           2HD      PHE  56   1.236 -10.612   2.775
  381    HE1  PHE  56           1HE      PHE  56  -0.670 -12.565  -1.354
  382    HE2  PHE  56           2HE      PHE  56   2.483 -12.350   1.545
  383    HZ   PHE  56           HZ       PHE  56   1.541 -13.325  -0.526
  384    H    THR  57           H        THR  57  -4.742  -9.463   2.514
  385    HA   THR  57           HA       THR  57  -4.747  -7.146   4.231
  386    HB   THR  57           HB       THR  57  -7.275  -7.284   3.874
  387    HG1  THR  57           1HG      THR  57  -7.597  -9.417   3.569
  388   1HG2  THR  57          1HG2      THR  57  -5.587  -6.142   2.330
  389   2HG2  THR  57          2HG2      THR  57  -7.151  -6.545   1.630
  390   3HG2  THR  57          3HG2      THR  57  -5.745  -7.553   1.289
  391    H    ASP  58           H        ASP  58  -5.952 -10.476   4.660
  392    HA   ASP  58           HA       ASP  58  -6.870  -9.794   7.392
  393   1HB   ASP  58          2HB       ASP  58  -7.974 -11.932   7.361
  394   2HB   ASP  58          1HB       ASP  58  -8.251 -11.199   5.781
  395    H    LYS  59           H        LYS  59  -3.982 -10.236   6.281
  396    HA   LYS  59           HA       LYS  59  -3.105 -12.117   8.453
  397   1HB   LYS  59          2HB       LYS  59  -1.519 -11.419   6.000
  398   2HB   LYS  59          1HB       LYS  59  -1.350 -12.817   7.056
  399   1HG   LYS  59          2HG       LYS  59  -3.801 -13.370   6.293
  400   2HG   LYS  59          1HG       LYS  59  -3.468 -12.256   4.967
  401   1HD   LYS  59          2HD       LYS  59  -2.970 -14.535   4.258
  402   2HD   LYS  59          1HD       LYS  59  -1.465 -13.632   4.378
  403   1HE   LYS  59          2HE       LYS  59  -0.728 -14.861   6.212
  404   2HE   LYS  59          1HE       LYS  59  -2.363 -15.155   6.802
  405   1HZ   LYS  59          1HZ       LYS  59  -2.057 -16.347   4.274
  406   2HZ   LYS  59          2HZ       LYS  59  -2.373 -17.089   5.770
  407   3HZ   LYS  59          3HZ       LYS  59  -0.770 -16.835   5.266
  408    H    VAL  60           H        VAL  60  -2.214  -9.258   6.576
  409    HA   VAL  60           HA       VAL  60  -0.173  -8.434   8.458
  410    HB   VAL  60           HB       VAL  60  -1.023  -7.737   5.852
  411   1HG1  VAL  60          1HG1      VAL  60  -0.843  -5.145   7.342
  412   2HG1  VAL  60          2HG1      VAL  60  -2.380  -5.917   6.974
  413   3HG1  VAL  60          3HG1      VAL  60  -1.312  -5.434   5.675
  414   1HG2  VAL  60          1HG2      VAL  60   1.146  -6.116   6.173
  415   2HG2  VAL  60          2HG2      VAL  60   1.248  -7.838   5.864
  416   3HG2  VAL  60          3HG2      VAL  60   1.381  -7.240   7.504
  417    HA   PRO  61           HA       PRO  61  -2.484  -6.573  11.640
  418   1HB   PRO  61          2HB       PRO  61  -1.424  -3.913  11.713
  419   2HB   PRO  61          1HB       PRO  61  -0.928  -5.306  12.692
  420   1HG   PRO  61          2HG       PRO  61   0.385  -4.108  10.365
  421   2HG   PRO  61          1HG       PRO  61   1.037  -5.225  11.576
  422   1HD   PRO  61          2HD       PRO  61   0.427  -5.884   8.937
  423   2HD   PRO  61          1HD       PRO  61   0.645  -7.059  10.222
  424    H    ALA  62           H        ALA  62  -4.569  -6.185  11.384
  425    HA   ALA  62           HA       ALA  62  -5.974  -5.018   9.388
  426   1HB   ALA  62          1HB       ALA  62  -7.777  -4.598  11.035
  427   2HB   ALA  62          2HB       ALA  62  -6.629  -4.896  12.338
  428   3HB   ALA  62          3HB       ALA  62  -7.058  -6.196  11.228
  429    H    ALA  63           H        ALA  63  -6.366  -3.119   8.686
  430    HA   ALA  63           HA       ALA  63  -4.861  -0.807   9.449
  431   1HB   ALA  63          1HB       ALA  63  -6.733   0.319   7.919
  432   2HB   ALA  63          2HB       ALA  63  -7.115  -1.363   7.553
  433   3HB   ALA  63          3HB       ALA  63  -5.504  -0.735   7.220
  434    H    ASN  64           H        ASN  64  -5.477   1.037  10.519
  435    HA   ASN  64           HA       ASN  64  -7.460   0.717  12.627
  436   1HB   ASN  64          2HB       ASN  64  -6.877   3.334  12.878
  437   2HB   ASN  64          1HB       ASN  64  -5.783   2.074  13.430
  438   1HD2  ASN  64          1HD2      ASN  64  -4.039   3.742  13.030
  439   2HD2  ASN  64          2HD2      ASN  64  -3.444   3.937  11.455
  440    H    GLU  65           H        GLU  65  -9.346   1.945  12.952
  441    HA   GLU  65           HA       GLU  65 -10.955   2.309  10.587
  442   1HB   GLU  65          2HB       GLU  65 -12.666   3.200  12.206
  443   2HB   GLU  65          1HB       GLU  65 -12.033   1.609  12.621
  444   1HG   GLU  65          2HG       GLU  65 -10.741   4.094  13.754
  445   2HG   GLU  65          1HG       GLU  65 -12.203   3.443  14.495
  446    H    ARG  66           H        ARG  66  -8.676   4.423  11.924
  447    HA   ARG  66           HA       ARG  66 -10.126   6.888  11.433
  448   1HB   ARG  66          2HB       ARG  66  -7.211   6.196  11.848
  449   2HB   ARG  66          1HB       ARG  66  -7.723   7.834  11.449
  450   1HG   ARG  66          2HG       ARG  66  -9.286   7.764  13.413
  451   2HG   ARG  66          1HG       ARG  66  -8.607   6.192  13.837
  452   1HD   ARG  66          2HD       ARG  66  -6.448   8.101  13.432
  453   2HD   ARG  66          1HD       ARG  66  -7.609   8.733  14.596
  454    HE   ARG  66           HE       ARG  66  -6.675   5.944  14.995
  455   1HH1  ARG  66          1HH2      ARG  66  -6.673   9.286  15.908
  456   2HH1  ARG  66          2HH2      ARG  66  -5.882   9.008  17.416
  457   1HH2  ARG  66          1HH1      ARG  66  -5.612   5.587  16.962
  458   2HH2  ARG  66          2HH1      ARG  66  -5.277   6.925  18.010
  459    H    GLU  67           H        GLU  67  -8.068   4.745   9.579
  460    HA   GLU  67           HA       GLU  67  -7.858   6.554   7.293
  461   1HB   GLU  67          2HB       GLU  67  -7.109   3.672   7.790
  462   2HB   GLU  67          1HB       GLU  67  -6.983   4.390   6.188
  463   1HG   GLU  67          2HG       GLU  67  -4.852   4.510   7.535
  464   2HG   GLU  67          1HG       GLU  67  -5.445   6.077   6.988
  465    H    ILE  68           H        ILE  68  -9.974   3.874   8.249
  466    HA   ILE  68           HA       ILE  68 -11.175   3.252   5.791
  467    HB   ILE  68           HB       ILE  68 -12.181   3.330   8.626
  468   1HG1  ILE  68          2HG1      ILE  68 -12.318   0.942   8.355
  469   2HG1  ILE  68          1HG1      ILE  68 -12.130   1.070   6.606
  470   1HG2  ILE  68          1HG2      ILE  68 -13.882   2.901   6.164
  471   2HG2  ILE  68          2HG2      ILE  68 -14.185   3.992   7.509
  472   3HG2  ILE  68          3HG2      ILE  68 -14.326   2.250   7.739
  473   1HD1  ILE  68          1HD1      ILE  68  -9.993   2.108   8.449
  474   2HD1  ILE  68          2HD1      ILE  68  -9.846   1.611   6.771
  475   3HD1  ILE  68          3HD1      ILE  68 -10.058   0.401   8.035
  476    H    GLY  69           H        GLY  69 -11.973   5.891   8.024
  477   1HA   GLY  69          2HA       GLY  69 -14.066   7.032   6.431
  478   2HA   GLY  69          1HA       GLY  69 -13.122   7.925   7.620
  479    H    MET  70           H        MET  70 -10.582   7.133   6.128
  480    HA   MET  70           HA       MET  70 -10.606   9.406   4.268
  481   1HB   MET  70          2HB       MET  70  -8.400   7.405   4.855
  482   2HB   MET  70          1HB       MET  70  -8.217   8.979   4.078
  483   1HG   MET  70          2HG       MET  70  -8.965  10.101   6.125
  484   2HG   MET  70          1HG       MET  70  -9.209   8.539   6.912
  485   1HE   MET  70          1HE       MET  70  -7.168   8.135   8.869
  486   2HE   MET  70          2HE       MET  70  -8.089   9.621   8.671
  487   3HE   MET  70          3HE       MET  70  -6.347   9.701   8.923
  488    H    LEU  71           H        LEU  71 -10.553   5.893   4.199
  489    HA   LEU  71           HA       LEU  71  -9.946   5.498   1.451
  490   1HB   LEU  71          2HB       LEU  71 -11.342   3.960   3.589
  491   2HB   LEU  71          1HB       LEU  71 -11.634   3.434   1.952
  492    HG   LEU  71           HG       LEU  71  -8.820   3.905   2.935
  493   1HD1  LEU  71          1HD1      LEU  71  -8.909   1.275   3.217
  494   2HD1  LEU  71          2HD1      LEU  71 -10.629   1.557   3.471
  495   3HD1  LEU  71          3HD1      LEU  71  -9.447   2.322   4.531
  496   1HD2  LEU  71          1HD2      LEU  71 -10.086   2.265   0.711
  497   2HD2  LEU  71          2HD2      LEU  71  -8.406   2.070   1.191
  498   3HD2  LEU  71          3HD2      LEU  71  -8.962   3.608   0.548
  499    H    GLU  72           H        GLU  72 -12.885   6.538   3.078
  500    HA   GLU  72           HA       GLU  72 -14.564   6.210   0.720
  501   1HB   GLU  72          2HB       GLU  72 -15.642   6.110   2.863
  502   2HB   GLU  72          1HB       GLU  72 -14.902   7.625   3.387
  503   1HG   GLU  72          2HG       GLU  72 -16.260   8.912   1.909
  504   2HG   GLU  72          1HG       GLU  72 -16.748   7.490   0.985
  505    H    CYS  73           H        CYS  73 -12.089   8.249   1.543
  506    HA   CYS  73           HA       CYS  73 -13.198  10.587   0.031
  507   1HB   CYS  73          2HB       CYS  73 -11.719  10.376   2.455
  508   2HB   CYS  73          1HB       CYS  73 -10.638  11.132   1.289
  509    HG   CYS  73           HG       CYS  73 -12.672  12.657   2.664
  510    H    VAL  74           H        VAL  74 -11.507   7.890  -0.860
  511    HA   VAL  74           HA       VAL  74  -9.277   9.193  -2.201
  512    HB   VAL  74           HB       VAL  74  -8.834   7.014  -3.174
  513   1HG1  VAL  74          1HG1      VAL  74  -8.719   5.708  -1.030
  514   2HG1  VAL  74          2HG1      VAL  74  -9.719   6.955  -0.288
  515   3HG1  VAL  74          3HG1      VAL  74  -8.117   7.359  -0.888
  516   1HG2  VAL  74          1HG2      VAL  74 -11.535   6.278  -2.001
  517   2HG2  VAL  74          2HG2      VAL  74 -10.377   5.115  -2.645
  518   3HG2  VAL  74          3HG2      VAL  74 -11.110   6.312  -3.720
  519    H    THR  75           H        THR  75  -9.071   8.831  -4.676
  520    HA   THR  75           HA       THR  75 -11.474  10.027  -5.901
  521    HB   THR  75           HB       THR  75  -9.743  10.046  -7.944
  522    HG1  THR  75           1HG      THR  75  -7.986   9.104  -7.308
  523   1HG2  THR  75          1HG2      THR  75 -10.600  12.038  -6.722
  524   2HG2  THR  75          2HG2      THR  75  -8.896  12.189  -7.145
  525   3HG2  THR  75          3HG2      THR  75  -9.359  11.793  -5.489
  526    H    ALA  76           H        ALA  76  -9.844   6.842  -6.004
  527    HA   ALA  76           HA       ALA  76 -11.395   6.165  -8.441
  528   1HB   ALA  76          1HB       ALA  76  -9.367   5.171  -8.816
  529   2HB   ALA  76          2HB       ALA  76  -9.994   3.889  -7.776
  530   3HB   ALA  76          3HB       ALA  76  -8.963   5.149  -7.104
  531    H    GLU  77           H        GLU  77 -12.217   3.730  -8.298
  532    HA   GLU  77           HA       GLU  77 -14.421   3.714  -6.483
  533   1HB   GLU  77          2HB       GLU  77 -15.016   2.517  -8.342
  534   2HB   GLU  77          1HB       GLU  77 -13.339   2.155  -8.716
  535   1HG   GLU  77          2HG       GLU  77 -13.343   0.250  -7.215
  536   2HG   GLU  77          1HG       GLU  77 -14.936   0.684  -6.591
  537    H    LEU  78           H        LEU  78 -14.576   2.794  -4.448
  538    HA   LEU  78           HA       LEU  78 -12.191   1.510  -3.303
  539   1HB   LEU  78          2HB       LEU  78 -14.272   2.955  -2.182
  540   2HB   LEU  78          1HB       LEU  78 -14.725   1.308  -1.760
  541    HG   LEU  78           HG       LEU  78 -12.314   0.987  -0.968
  542   1HD1  LEU  78          1HD1      LEU  78 -12.112   3.702  -1.999
  543   2HD1  LEU  78          2HD1      LEU  78 -10.846   2.594  -1.485
  544   3HD1  LEU  78          3HD1      LEU  78 -11.623   3.631  -0.315
  545   1HD2  LEU  78          1HD2      LEU  78 -14.458   1.651   0.459
  546   2HD2  LEU  78          2HD2      LEU  78 -13.575   3.161   0.676
  547   3HD2  LEU  78          3HD2      LEU  78 -12.856   1.635   1.186
  548    H    LYS  79           H        LYS  79 -12.166  -0.517  -2.354
  549    HA   LYS  79           HA       LYS  79 -13.852  -2.562  -3.756
  550   1HB   LYS  79          2HB       LYS  79 -10.953  -2.305  -3.051
  551   2HB   LYS  79          1HB       LYS  79 -11.635  -3.921  -3.181
  552   1HG   LYS  79          2HG       LYS  79 -11.968  -1.866  -5.370
  553   2HG   LYS  79          1HG       LYS  79 -10.546  -2.892  -5.290
  554   1HD   LYS  79          2HD       LYS  79 -12.152  -4.890  -5.220
  555   2HD   LYS  79          1HD       LYS  79 -13.421  -3.753  -5.676
  556   1HE   LYS  79          2HE       LYS  79 -12.446  -4.874  -7.656
  557   2HE   LYS  79          1HE       LYS  79 -12.175  -3.133  -7.691
  558   1HZ   LYS  79          1HZ       LYS  79 -10.146  -4.812  -6.413
  559   2HZ   LYS  79          2HZ       LYS  79  -9.965  -3.366  -7.292
  560   3HZ   LYS  79          3HZ       LYS  79 -10.234  -4.829  -8.111
  561    HA   PRO  80           HA       PRO  80 -15.063  -4.007   0.268
  562   1HB   PRO  80          2HB       PRO  80 -14.590  -6.771   0.007
  563   2HB   PRO  80          1HB       PRO  80 -16.065  -5.934  -0.515
  564   1HG   PRO  80          2HG       PRO  80 -13.696  -6.776  -2.117
  565   2HG   PRO  80          1HG       PRO  80 -15.414  -6.775  -2.560
  566   1HD   PRO  80          2HD       PRO  80 -13.731  -4.878  -3.484
  567   2HD   PRO  80          1HD       PRO  80 -15.419  -4.495  -3.069
  568    H    ASN  81           H        ASN  81 -12.039  -5.208  -1.077
  569    HA   ASN  81           HA       ASN  81 -10.813  -5.207   1.649
  570   1HB   ASN  81          2HB       ASN  81  -9.549  -7.049   1.096
  571   2HB   ASN  81          1HB       ASN  81 -10.894  -7.331   0.001
  572   1HD2  ASN  81          1HD2      ASN  81 -10.304  -5.469  -2.066
  573   2HD2  ASN  81          2HD2      ASN  81  -8.824  -5.897  -2.782
  574    H    SER  82           H        SER  82 -11.164  -2.803  -0.108
  575    HA   SER  82           HA       SER  82  -8.691  -2.090  -1.342
  576   1HB   SER  82          2HB       SER  82 -11.196  -0.940  -0.949
  577   2HB   SER  82          1HB       SER  82 -10.100   0.138  -0.108
  578    HG   SER  82           HG       SER  82  -8.791   0.013  -2.063
  579    H    ARG  83           H        ARG  83  -6.929  -0.984  -0.442
  580    HA   ARG  83           HA       ARG  83  -6.911  -0.555   2.515
  581   1HB   ARG  83          2HB       ARG  83  -5.610  -2.733   1.009
  582   2HB   ARG  83          1HB       ARG  83  -4.497  -1.869   2.045
  583   1HG   ARG  83          2HG       ARG  83  -7.141  -2.712   3.203
  584   2HG   ARG  83          1HG       ARG  83  -5.908  -3.939   2.967
  585   1HD   ARG  83          2HD       ARG  83  -4.448  -2.971   4.511
  586   2HD   ARG  83          1HD       ARG  83  -5.178  -1.370   4.350
  587    HE   ARG  83           HE       ARG  83  -6.902  -2.035   5.850
  588   1HH1  ARG  83          1HH2      ARG  83  -4.760  -4.638   5.047
  589   2HH1  ARG  83          2HH2      ARG  83  -5.394  -5.690   6.265
  590   1HH2  ARG  83          1HH1      ARG  83  -7.735  -3.398   7.403
  591   2HH2  ARG  83          2HH1      ARG  83  -7.079  -4.988   7.601
  592    H    LEU  84           H        LEU  84  -4.900   0.486   3.270
  593    HA   LEU  84           HA       LEU  84  -4.020   2.536   1.315
  594   1HB   LEU  84          2HB       LEU  84  -3.648   2.386   4.322
  595   2HB   LEU  84          1HB       LEU  84  -3.182   3.740   3.304
  596    HG   LEU  84           HG       LEU  84  -5.314   4.242   4.364
  597   1HD1  LEU  84          1HD1      LEU  84  -6.456   5.000   2.483
  598   2HD1  LEU  84          2HD1      LEU  84  -6.136   3.534   1.553
  599   3HD1  LEU  84          3HD1      LEU  84  -4.854   4.713   1.809
  600   1HD2  LEU  84          1HD2      LEU  84  -7.143   2.827   4.452
  601   2HD2  LEU  84          2HD2      LEU  84  -5.858   1.624   4.433
  602   3HD2  LEU  84          3HD2      LEU  84  -6.727   2.002   2.950
  603    H    CYS  85           H        CYS  85  -1.559   3.228   1.970
  604    HA   CYS  85           HA       CYS  85   0.060   0.697   1.853
  605   1HB   CYS  85          2HB       CYS  85  -0.127   2.332  -0.178
  606   2HB   CYS  85          1HB       CYS  85   1.012   3.319   0.731
  607    HG   CYS  85           HG       CYS  85   2.606   1.147   0.770
  608    H    CYS  86           H        CYS  86  -0.564   3.400   3.820
  609    HA   CYS  86           HA       CYS  86   2.234   3.488   4.868
  610   1HB   CYS  86          2HB       CYS  86   1.450   5.479   6.127
  611   2HB   CYS  86          1HB       CYS  86   1.265   5.651   4.382
  612    H    GLN  87           H        GLN  87  -1.054   2.626   5.968
  613    HA   GLN  87           HA       GLN  87  -0.024   2.195   8.709
  614   1HB   GLN  87          2HB       GLN  87  -2.453   1.324   9.040
  615   2HB   GLN  87          1HB       GLN  87  -2.210   3.046   8.754
  616   1HG   GLN  87          2HG       GLN  87  -2.868   2.877   6.473
  617   2HG   GLN  87          1HG       GLN  87  -2.751   1.117   6.496
  618   1HE2  GLN  87          1HE2      GLN  87  -5.173   2.705   5.825
  619   2HE2  GLN  87          2HE2      GLN  87  -6.354   2.260   6.963
  620    H    ILE  88           H        ILE  88   0.521   0.541   6.112
  621    HA   ILE  88           HA       ILE  88  -0.101  -2.171   7.249
  622    HB   ILE  88           HB       ILE  88   0.533  -1.290   4.425
  623   1HG1  ILE  88          2HG1      ILE  88  -1.871  -2.639   5.693
  624   2HG1  ILE  88          1HG1      ILE  88  -1.748  -0.908   5.399
  625   1HG2  ILE  88          1HG2      ILE  88   0.467  -4.004   5.716
  626   2HG2  ILE  88          2HG2      ILE  88   1.593  -3.382   4.520
  627   3HG2  ILE  88          3HG2      ILE  88  -0.042  -3.827   4.039
  628   1HD1  ILE  88          1HD1      ILE  88  -2.841  -1.564   3.497
  629   2HD1  ILE  88          2HD1      ILE  88  -2.079  -3.148   3.467
  630   3HD1  ILE  88          3HD1      ILE  88  -1.186  -1.728   2.926
  631    H    ILE  89           H        ILE  89   1.474  -3.185   8.248
  632    HA   ILE  89           HA       ILE  89   4.306  -2.375   7.851
  633    HB   ILE  89           HB       ILE  89   3.059  -4.210   9.909
  634   1HG1  ILE  89          2HG1      ILE  89   2.101  -1.997  10.172
  635   2HG1  ILE  89          1HG1      ILE  89   3.293  -2.240  11.442
  636   1HG2  ILE  89          1HG2      ILE  89   5.467  -4.567   9.629
  637   2HG2  ILE  89          2HG2      ILE  89   5.141  -3.750  11.164
  638   3HG2  ILE  89          3HG2      ILE  89   5.750  -2.830   9.782
  639   1HD1  ILE  89          1HD1      ILE  89   4.949  -1.092   9.766
  640   2HD1  ILE  89          2HD1      ILE  89   3.812  -0.091  10.662
  641   3HD1  ILE  89          3HD1      ILE  89   3.479  -0.510   8.987
  642    H    MET  90           H        MET  90   5.573  -3.622   6.555
  643    HA   MET  90           HA       MET  90   4.652  -6.242   5.712
  644   1HB   MET  90          2HB       MET  90   6.052  -4.518   4.344
  645   2HB   MET  90          1HB       MET  90   7.434  -5.256   5.159
  646   1HG   MET  90          2HG       MET  90   7.097  -6.466   3.089
  647   2HG   MET  90          1HG       MET  90   6.554  -7.511   4.394
  648   1HE   MET  90          1HE       MET  90   4.913  -9.002   3.617
  649   2HE   MET  90          2HE       MET  90   3.243  -8.548   3.296
  650   3HE   MET  90          3HE       MET  90   3.954  -8.167   4.852
  651    H    THR  91           H        THR  91   5.884  -8.189   5.922
  652    HA   THR  91           HA       THR  91   7.892  -8.333   8.077
  653    HB   THR  91           HB       THR  91   6.604 -10.216   9.179
  654    HG1  THR  91           1HG      THR  91   4.697  -9.248   7.351
  655   1HG2  THR  91          1HG2      THR  91   5.165  -7.561   9.201
  656   2HG2  THR  91          2HG2      THR  91   6.680  -7.871  10.049
  657   3HG2  THR  91          3HG2      THR  91   5.223  -8.757  10.497
  658    HA   PRO  92           HA       PRO  92   9.538 -11.268   5.242
  659   1HB   PRO  92          2HB       PRO  92  10.561 -13.182   7.027
  660   2HB   PRO  92          1HB       PRO  92  11.406 -11.715   6.508
  661   1HG   PRO  92          2HG       PRO  92   9.882 -12.238   9.010
  662   2HG   PRO  92          1HG       PRO  92  11.351 -11.277   8.757
  663   1HD   PRO  92          2HD       PRO  92   8.935 -10.112   9.099
  664   2HD   PRO  92          1HD       PRO  92  10.162  -9.414   8.014
  665    H    GLU  93           H        GLU  93   7.708 -12.710   7.955
  666    HA   GLU  93           HA       GLU  93   7.115 -15.182   6.730
  667   1HB   GLU  93          2HB       GLU  93   4.968 -15.034   8.172
  668   2HB   GLU  93          1HB       GLU  93   6.519 -14.975   9.007
  669   1HG   GLU  93          2HG       GLU  93   6.402 -12.613   9.278
  670   2HG   GLU  93          1HG       GLU  93   5.074 -12.471   8.131
  671    H    LEU  94           H        LEU  94   5.467 -12.042   6.365
  672    HA   LEU  94           HA       LEU  94   3.510 -13.266   4.541
  673   1HB   LEU  94          2HB       LEU  94   3.815 -10.606   5.848
  674   2HB   LEU  94          1HB       LEU  94   2.995 -10.579   4.307
  675    HG   LEU  94           HG       LEU  94   2.233 -12.434   6.577
  676   1HD1  LEU  94          1HD1      LEU  94   1.926  -9.828   6.899
  677   2HD1  LEU  94          2HD1      LEU  94   0.614 -10.927   7.308
  678   3HD1  LEU  94          3HD1      LEU  94   0.581 -10.052   5.773
  679   1HD2  LEU  94          1HD2      LEU  94   1.574 -12.586   3.861
  680   2HD2  LEU  94          2HD2      LEU  94   0.205 -11.739   4.546
  681   3HD2  LEU  94          3HD2      LEU  94   0.674 -13.309   5.181
  682    H    ASP  95           H        ASP  95   6.471 -13.045   3.882
  683    HA   ASP  95           HA       ASP  95   6.910 -11.179   1.814
  684   1HB   ASP  95          2HB       ASP  95   8.591 -12.780   0.962
  685   2HB   ASP  95          1HB       ASP  95   8.672 -12.653   2.718
  686    H    GLY  96           H        GLY  96   6.314 -11.076  -0.331
  687   1HA   GLY  96          2HA       GLY  96   5.662 -12.191  -2.429
  688   2HA   GLY  96          1HA       GLY  96   4.693 -13.317  -1.488
  689    H    ILE  97           H        ILE  97   4.274 -10.413  -0.060
  690    HA   ILE  97           HA       ILE  97   1.555 -10.141  -0.646
  691    HB   ILE  97           HB       ILE  97   2.250  -8.979   1.240
  692   1HG1  ILE  97          2HG1      ILE  97   1.947  -6.558   0.916
  693   2HG1  ILE  97          1HG1      ILE  97   2.173  -6.717  -0.810
  694   1HG2  ILE  97          1HG2      ILE  97   4.511  -8.674   1.332
  695   2HG2  ILE  97          2HG2      ILE  97   4.222  -7.106   0.587
  696   3HG2  ILE  97          3HG2      ILE  97   4.636  -8.481  -0.395
  697   1HD1  ILE  97          1HD1      ILE  97  -0.037  -7.100  -1.033
  698   2HD1  ILE  97          2HD1      ILE  97  -0.225  -6.967   0.701
  699   3HD1  ILE  97          3HD1      ILE  97   0.090  -8.533  -0.019
  700    H    VAL  98           H        VAL  98   0.379  -9.413  -2.325
  701    HA   VAL  98           HA       VAL  98   1.804  -7.944  -4.528
  702    HB   VAL  98           HB       VAL  98  -0.872  -9.345  -4.607
  703   1HG1  VAL  98          1HG1      VAL  98  -0.529  -7.639  -6.341
  704   2HG1  VAL  98          2HG1      VAL  98  -0.497  -9.255  -7.050
  705   3HG1  VAL  98          3HG1      VAL  98   1.011  -8.383  -6.779
  706   1HG2  VAL  98          1HG2      VAL  98   1.912 -10.324  -5.286
  707   2HG2  VAL  98          2HG2      VAL  98   0.445 -11.120  -5.860
  708   3HG2  VAL  98          3HG2      VAL  98   0.784 -11.028  -4.125
  709    H    VAL  99           H        VAL  99   1.439  -5.766  -4.537
  710    HA   VAL  99           HA       VAL  99  -1.107  -4.693  -3.369
  711    HB   VAL  99           HB       VAL  99   1.319  -3.048  -4.108
  712   1HG1  VAL  99          1HG1      VAL  99  -0.715  -1.879  -3.396
  713   2HG1  VAL  99          2HG1      VAL  99   0.518  -1.726  -2.143
  714   3HG1  VAL  99          3HG1      VAL  99  -0.808  -2.874  -1.938
  715   1HG2  VAL  99          1HG2      VAL  99   2.272  -4.847  -2.812
  716   2HG2  VAL  99          2HG2      VAL  99   0.982  -4.741  -1.613
  717   3HG2  VAL  99          3HG2      VAL  99   2.151  -3.432  -1.770
  718    H    ASP 100           H        ASP 100  -2.517  -3.829  -4.769
  719    HA   ASP 100           HA       ASP 100  -1.693  -3.346  -7.598
  720   1HB   ASP 100          2HB       ASP 100  -4.152  -4.276  -6.240
  721   2HB   ASP 100          1HB       ASP 100  -4.431  -3.208  -7.613
  722    H    VAL 101           H        VAL 101  -1.415  -1.312  -8.245
  723    HA   VAL 101           HA       VAL 101  -2.600   0.914  -6.646
  724    HB   VAL 101           HB       VAL 101  -0.280   0.951  -8.593
  725   1HG1  VAL 101          1HG1      VAL 101   0.158   3.174  -7.583
  726   2HG1  VAL 101          2HG1      VAL 101  -1.322   3.021  -6.639
  727   3HG1  VAL 101          3HG1      VAL 101  -1.405   3.123  -8.394
  728   1HG2  VAL 101          1HG2      VAL 101   1.061   1.239  -6.476
  729   2HG2  VAL 101          2HG2      VAL 101   0.323  -0.354  -6.651
  730   3HG2  VAL 101          3HG2      VAL 101  -0.398   0.837  -5.566
  731    HA   PRO 102           HA       PRO 102  -5.115   1.519 -10.388
  732   1HB   PRO 102          2HB       PRO 102  -6.633   3.577  -9.565
  733   2HB   PRO 102          1HB       PRO 102  -6.771   1.988  -8.798
  734   1HG   PRO 102          2HG       PRO 102  -5.226   4.369  -7.877
  735   2HG   PRO 102          1HG       PRO 102  -6.349   3.349  -6.965
  736   1HD   PRO 102          2HD       PRO 102  -3.644   3.004  -6.851
  737   2HD   PRO 102          1HD       PRO 102  -4.791   1.656  -6.666
  738    H    ASP 103           H        ASP 103  -5.995   3.680 -11.497
  739    HA   ASP 103           HA       ASP 103  -3.619   5.147 -12.462
  740   1HB   ASP 103          2HB       ASP 103  -6.513   5.475 -13.320
  741   2HB   ASP 103          1HB       ASP 103  -5.071   5.966 -14.205
  742    H    ARG 104           H        ARG 104  -6.193   5.515 -10.235
  743    HA   ARG 104           HA       ARG 104  -5.574   8.431  -9.883
  744   1HB   ARG 104          2HB       ARG 104  -8.218   7.174  -9.094
  745   2HB   ARG 104          1HB       ARG 104  -7.833   8.873  -9.313
  746   1HG   ARG 104          2HG       ARG 104  -7.390   7.442 -11.826
  747   2HG   ARG 104          1HG       ARG 104  -9.006   7.091 -11.231
  748   1HD   ARG 104          2HD       ARG 104  -9.250   9.033 -12.565
  749   2HD   ARG 104          1HD       ARG 104  -9.265   9.633 -10.909
  750    HE   ARG 104           HE       ARG 104  -6.574   9.606 -11.916
  751   1HH1  ARG 104          1HH2      ARG 104  -9.608  11.234 -12.150
  752   2HH1  ARG 104          2HH2      ARG 104  -8.913  12.748 -12.628
  753   1HH2  ARG 104          1HH1      ARG 104  -5.647  11.572 -12.550
  754   2HH2  ARG 104          2HH1      ARG 104  -6.663  12.942 -12.849
  755    H    GLN 105           H        GLN 105  -4.407   8.533  -7.941
  756    HA   GLN 105           HA       GLN 105  -5.156   6.565  -5.802
  757   1HB   GLN 105          2HB       GLN 105  -2.848   6.946  -4.951
  758   2HB   GLN 105          1HB       GLN 105  -2.835   6.321  -6.600
  759   1HG   GLN 105          2HG       GLN 105  -1.290   8.080  -6.740
  760   2HG   GLN 105          1HG       GLN 105  -2.771   8.854  -7.296
  761   1HE2  GLN 105          1HE2      GLN 105  -0.574   8.562  -4.506
  762   2HE2  GLN 105          2HE2      GLN 105  -1.140   9.944  -3.702
  763    H    TRP 106           H        TRP 106  -5.279   9.760  -6.795
  764    HA   TRP 106           HA       TRP 106  -4.935  11.140  -4.271
  765   1HB   TRP 106          2HB       TRP 106  -4.865  12.201  -6.588
  766   2HB   TRP 106          1HB       TRP 106  -6.622  12.062  -6.609
  767    HD1  TRP 106           HD       TRP 106  -8.016  13.690  -5.107
  768    HE1  TRP 106           1HE      TRP 106  -7.402  15.778  -3.717
  769    HE3  TRP 106           3HE      TRP 106  -2.922  13.301  -5.123
  770    HZ2  TRP 106           2HZ      TRP 106  -5.064  17.115  -2.763
  771    HZ3  TRP 106           3HZ      TRP 106  -1.529  14.995  -3.971
  772    HH2  TRP 106           HH       TRP 106  -2.592  16.901  -2.796
  Start of MODEL   12
    1   1H    SER   1          1HT       SER   1  11.212  -9.578   4.207
    2   2H    SER   1          2HT       SER   1  10.736  -8.157   3.401
    3   3H    SER   1          3HT       SER   1  11.837  -9.222   2.672
    4    HA   SER   1           HA       SER   1  10.034 -10.954   2.734
    5   1HB   SER   1          2HB       SER   1   7.982  -8.809   2.773
    6   2HB   SER   1          1HB       SER   1   7.961 -10.398   3.529
    7    HG   SER   1           HG       SER   1   9.281  -8.057   4.434
    8    H    LYS   2           H        LYS   2   8.811 -11.184   0.672
    9    HA   LYS   2           HA       LYS   2   9.968  -9.466  -1.401
   10   1HB   LYS   2          2HB       LYS   2   8.429 -12.032  -1.276
   11   2HB   LYS   2          1HB       LYS   2   8.225 -11.080  -2.734
   12   1HG   LYS   2          2HG       LYS   2  11.006 -11.597  -1.686
   13   2HG   LYS   2          1HG       LYS   2  10.175 -12.872  -2.576
   14   1HD   LYS   2          2HD       LYS   2  10.255 -10.098  -3.746
   15   2HD   LYS   2          1HD       LYS   2  11.687 -11.119  -3.861
   16   1HE   LYS   2          2HE       LYS   2   8.936 -12.045  -4.735
   17   2HE   LYS   2          1HE       LYS   2  10.089 -11.287  -5.830
   18   1HZ   LYS   2          1HZ       LYS   2  10.626 -13.468  -6.108
   19   2HZ   LYS   2          2HZ       LYS   2  10.209 -13.902  -4.520
   20   3HZ   LYS   2          3HZ       LYS   2  11.669 -13.090  -4.823
   21    H    VAL   3           H        VAL   3   8.946  -7.580  -1.936
   22    HA   VAL   3           HA       VAL   3   5.997  -7.398  -1.462
   23    HB   VAL   3           HB       VAL   3   8.348  -5.538  -1.181
   24   1HG1  VAL   3          1HG1      VAL   3   6.821  -3.616  -0.953
   25   2HG1  VAL   3          2HG1      VAL   3   5.482  -4.628  -1.501
   26   3HG1  VAL   3          3HG1      VAL   3   6.825  -4.264  -2.591
   27   1HG2  VAL   3          1HG2      VAL   3   5.953  -6.225   0.503
   28   2HG2  VAL   3          2HG2      VAL   3   7.147  -5.014   0.945
   29   3HG2  VAL   3          3HG2      VAL   3   7.624  -6.702   0.780
   30    H    VAL   4           H        VAL   4   4.883  -7.312  -3.354
   31    HA   VAL   4           HA       VAL   4   6.326  -6.360  -5.816
   32    HB   VAL   4           HB       VAL   4   3.980  -8.198  -5.489
   33   1HG1  VAL   4          1HG1      VAL   4   4.268  -8.433  -8.028
   34   2HG1  VAL   4          2HG1      VAL   4   5.223  -6.954  -7.937
   35   3HG1  VAL   4          3HG1      VAL   4   3.526  -6.936  -7.463
   36   1HG2  VAL   4          1HG2      VAL   4   6.820  -8.576  -6.425
   37   2HG2  VAL   4          2HG2      VAL   4   5.557  -9.782  -6.675
   38   3HG2  VAL   4          3HG2      VAL   4   6.043  -9.333  -5.038
   39    H    TYR   5           H        TYR   5   5.615  -4.643  -6.761
   40    HA   TYR   5           HA       TYR   5   3.104  -3.312  -5.879
   41   1HB   TYR   5          2HB       TYR   5   5.691  -2.216  -6.995
   42   2HB   TYR   5          1HB       TYR   5   4.210  -1.261  -6.962
   43    HD1  TYR   5           1HD      TYR   5   6.949  -2.638  -4.990
   44    HD2  TYR   5           2HD      TYR   5   3.105  -0.731  -4.771
   45    HE1  TYR   5           1HE      TYR   5   7.368  -2.053  -2.617
   46    HE2  TYR   5           2HE      TYR   5   3.538  -0.144  -2.399
   47    HH   TYR   5           HH       TYR   5   6.679  -0.691  -0.897
   48    H    VAL   6           H        VAL   6   1.496  -3.643  -7.344
   49    HA   VAL   6           HA       VAL   6   2.225  -4.050 -10.216
   50    HB   VAL   6           HB       VAL   6  -0.341  -4.595  -8.694
   51   1HG1  VAL   6          1HG1      VAL   6  -0.989  -3.972 -10.902
   52   2HG1  VAL   6          2HG1      VAL   6  -0.959  -5.735 -10.893
   53   3HG1  VAL   6          3HG1      VAL   6   0.375  -4.834 -11.613
   54   1HG2  VAL   6          1HG2      VAL   6   1.860  -6.329  -9.809
   55   2HG2  VAL   6          2HG2      VAL   6   0.260  -6.971  -9.448
   56   3HG2  VAL   6          3HG2      VAL   6   1.248  -6.275  -8.159
   57    H    SER   7           H        SER   7   2.231  -2.213 -11.291
   58    HA   SER   7           HA       SER   7   0.837   0.157 -10.320
   59   1HB   SER   7          2HB       SER   7   2.019   1.346 -11.988
   60   2HB   SER   7          1HB       SER   7   3.129   0.078 -11.469
   61    HG   SER   7           HG       SER   7   1.439   0.102 -13.754
   62    H    HIS   8           H        HIS   8  -0.067   1.504 -12.289
   63    HA   HIS   8           HA       HIS   8  -2.524   0.115 -13.082
   64   1HB   HIS   8          2HB       HIS   8  -2.392   2.666 -14.400
   65   2HB   HIS   8          1HB       HIS   8  -3.337   2.245 -12.980
   66    HD1  HIS   8           1HD      HIS   8  -1.147   1.920 -10.863
   67    HD2  HIS   8           2HD      HIS   8  -1.190   5.037 -13.639
   68    HE1  HIS   8           1HE      HIS   8   0.236   3.794  -9.864
   69    HE2  HIS   8           2HE      HIS   8   0.218   5.693 -11.543
   70    H    ASP   9           H        ASP   9   0.333   1.494 -14.697
   71    HA   ASP   9           HA       ASP   9  -0.479   0.841 -17.346
   72   1HB   ASP   9          2HB       ASP   9   2.148   0.846 -17.683
   73   2HB   ASP   9          1HB       ASP   9   1.304   2.343 -17.287
   74    H    GLY  10           H        GLY  10   0.344  -1.263 -14.796
   75   1HA   GLY  10          2HA       GLY  10   0.099  -3.655 -15.059
   76   2HA   GLY  10          1HA       GLY  10   0.610  -3.507 -16.733
   77    H    THR  11           H        THR  11   2.757  -1.566 -15.313
   78    HA   THR  11           HA       THR  11   4.822  -3.581 -15.409
   79    HB   THR  11           HB       THR  11   4.877  -0.939 -15.868
   80    HG1  THR  11           1HG      THR  11   6.982  -1.268 -16.110
   81   1HG2  THR  11          1HG2      THR  11   5.963   0.298 -14.141
   82   2HG2  THR  11          2HG2      THR  11   6.179  -1.141 -13.147
   83   3HG2  THR  11          3HG2      THR  11   4.567  -0.467 -13.387
   84    H    ARG  12           H        ARG  12   5.643  -4.737 -13.865
   85    HA   ARG  12           HA       ARG  12   4.651  -4.370 -11.074
   86   1HB   ARG  12          2HB       ARG  12   6.175  -6.750 -12.179
   87   2HB   ARG  12          1HB       ARG  12   5.246  -6.653 -10.681
   88   1HG   ARG  12          2HG       ARG  12   3.291  -5.956 -12.415
   89   2HG   ARG  12          1HG       ARG  12   4.282  -6.903 -13.516
   90   1HD   ARG  12          2HD       ARG  12   3.920  -8.366 -11.014
   91   2HD   ARG  12          1HD       ARG  12   2.366  -7.889 -11.679
   92    HE   ARG  12           HE       ARG  12   2.887  -9.107 -13.709
   93   1HH1  ARG  12          1HH2      ARG  12   5.224  -9.469 -11.147
   94   2HH1  ARG  12          2HH2      ARG  12   5.941 -10.868 -11.850
   95   1HH2  ARG  12          1HH1      ARG  12   3.803 -10.939 -14.565
   96   2HH2  ARG  12          2HH1      ARG  12   5.144 -11.712 -13.793
   97    H    ARG  13           H        ARG  13   5.992  -3.716  -9.473
   98    HA   ARG  13           HA       ARG  13   8.939  -3.658  -9.988
   99   1HB   ARG  13          2HB       ARG  13   7.302  -1.448  -9.804
  100   2HB   ARG  13          1HB       ARG  13   7.724  -1.662  -8.113
  101   1HG   ARG  13          2HG       ARG  13   9.614  -0.496  -8.560
  102   2HG   ARG  13          1HG       ARG  13  10.206  -1.898  -9.426
  103   1HD   ARG  13          2HD       ARG  13  10.397  -0.212 -11.052
  104   2HD   ARG  13          1HD       ARG  13   8.823  -0.883 -11.431
  105    HE   ARG  13           HE       ARG  13   9.108   1.538  -9.691
  106   1HH1  ARG  13          1HH2      ARG  13   7.632  -0.126 -12.384
  107   2HH1  ARG  13          2HH2      ARG  13   6.534   1.158 -12.713
  108   1HH2  ARG  13          1HH1      ARG  13   7.699   3.211 -10.170
  109   2HH2  ARG  13          2HH1      ARG  13   6.572   3.060 -11.480
  110    H    GLU  14           H        GLU  14   9.879  -5.018  -8.494
  111    HA   GLU  14           HA       GLU  14   8.396  -5.632  -5.988
  112   1HB   GLU  14          2HB       GLU  14  10.621  -7.308  -7.144
  113   2HB   GLU  14          1HB       GLU  14   9.328  -7.787  -6.043
  114   1HG   GLU  14          2HG       GLU  14   8.587  -8.645  -8.099
  115   2HG   GLU  14          1HG       GLU  14   7.731  -7.108  -7.999
  116    H    LEU  15           H        LEU  15   9.350  -5.159  -4.006
  117    HA   LEU  15           HA       LEU  15  12.291  -4.514  -3.960
  118   1HB   LEU  15          2HB       LEU  15  10.645  -3.312  -1.783
  119   2HB   LEU  15          1HB       LEU  15  11.946  -2.600  -2.716
  120    HG   LEU  15           HG       LEU  15   9.141  -2.994  -3.655
  121   1HD1  LEU  15          1HD1      LEU  15   9.436  -1.351  -1.772
  122   2HD1  LEU  15          2HD1      LEU  15   8.914  -0.572  -3.250
  123   3HD1  LEU  15          3HD1      LEU  15  10.598  -0.474  -2.758
  124   1HD2  LEU  15          1HD2      LEU  15  11.285  -2.772  -5.292
  125   2HD2  LEU  15          2HD2      LEU  15  11.083  -1.063  -4.909
  126   3HD2  LEU  15          3HD2      LEU  15   9.761  -1.974  -5.660
  127    H    ASP  16           H        ASP  16  13.127  -4.649  -1.736
  128    HA   ASP  16           HA       ASP  16  12.002  -6.999  -0.260
  129   1HB   ASP  16          2HB       ASP  16  14.784  -5.842  -0.586
  130   2HB   ASP  16          1HB       ASP  16  14.393  -6.795   0.830
  131    H    VAL  17           H        VAL  17  10.777  -6.207   1.481
  132    HA   VAL  17           HA       VAL  17  11.636  -3.608   2.742
  133    HB   VAL  17           HB       VAL  17   8.857  -4.865   2.797
  134   1HG1  VAL  17          1HG1      VAL  17   8.675  -3.282   4.423
  135   2HG1  VAL  17          2HG1      VAL  17   8.510  -2.173   3.071
  136   3HG1  VAL  17          3HG1      VAL  17  10.071  -2.360   3.857
  137   1HG2  VAL  17          1HG2      VAL  17  10.130  -2.901   0.875
  138   2HG2  VAL  17          2HG2      VAL  17   8.385  -3.060   1.045
  139   3HG2  VAL  17          3HG2      VAL  17   9.349  -4.426   0.497
  140    H    ALA  18           H        ALA  18  12.447  -3.836   4.719
  141    HA   ALA  18           HA       ALA  18  12.601  -6.424   5.976
  142   1HB   ALA  18          1HB       ALA  18  14.279  -4.467   6.106
  143   2HB   ALA  18          2HB       ALA  18  14.004  -5.417   7.567
  144   3HB   ALA  18          3HB       ALA  18  13.237  -3.841   7.388
  145    H    ASP  19           H        ASP  19  12.019  -6.816   8.197
  146    HA   ASP  19           HA       ASP  19   9.220  -6.607   8.683
  147   1HB   ASP  19          2HB       ASP  19   9.860  -7.378  11.016
  148   2HB   ASP  19          1HB       ASP  19  10.438  -8.404   9.710
  149    H    GLY  20           H        GLY  20   8.049  -5.273   9.817
  150   1HA   GLY  20          2HA       GLY  20   7.498  -3.482  11.302
  151   2HA   GLY  20          1HA       GLY  20   9.208  -3.279  11.630
  152    H    VAL  21           H        VAL  21   8.997  -3.260   8.259
  153    HA   VAL  21           HA       VAL  21   9.119  -0.304   8.300
  154    HB   VAL  21           HB       VAL  21   9.645  -2.293   6.094
  155   1HG1  VAL  21          1HG1      VAL  21   9.120  -0.200   5.123
  156   2HG1  VAL  21          2HG1      VAL  21  10.878  -0.346   5.087
  157   3HG1  VAL  21          3HG1      VAL  21  10.104   0.665   6.307
  158   1HG2  VAL  21          1HG2      VAL  21  11.965  -2.093   6.513
  159   2HG2  VAL  21          2HG2      VAL  21  11.212  -2.407   8.087
  160   3HG2  VAL  21          3HG2      VAL  21  11.710  -0.769   7.657
  161    H    SER  22           H        SER  22   7.754   0.946   6.923
  162    HA   SER  22           HA       SER  22   5.171  -0.354   6.281
  163   1HB   SER  22          2HB       SER  22   4.275   1.832   6.114
  164   2HB   SER  22          1HB       SER  22   5.455   1.962   7.419
  165    HG   SER  22           HG       SER  22   5.941   2.560   4.683
  166    H    LEU  23           H        LEU  23   4.416  -0.636   4.175
  167    HA   LEU  23           HA       LEU  23   6.222  -0.983   2.042
  168   1HB   LEU  23          2HB       LEU  23   3.261  -0.423   2.137
  169   2HB   LEU  23          1HB       LEU  23   4.081  -0.628   0.599
  170    HG   LEU  23           HG       LEU  23   4.284  -2.685   2.820
  171   1HD1  LEU  23          1HD1      LEU  23   1.912  -2.383   2.228
  172   2HD1  LEU  23          2HD1      LEU  23   2.511  -3.929   1.617
  173   3HD1  LEU  23          3HD1      LEU  23   2.312  -2.566   0.520
  174   1HD2  LEU  23          1HD2      LEU  23   4.700  -4.171   0.779
  175   2HD2  LEU  23          2HD2      LEU  23   5.971  -3.009   1.128
  176   3HD2  LEU  23          3HD2      LEU  23   4.820  -2.694  -0.162
  177    H    MET  24           H        MET  24   4.772   1.904   3.285
  178    HA   MET  24           HA       MET  24   5.287   3.534   0.926
  179   1HB   MET  24          2HB       MET  24   3.534   4.372   2.233
  180   2HB   MET  24          1HB       MET  24   4.359   4.012   3.747
  181   1HG   MET  24          2HG       MET  24   5.865   5.886   3.452
  182   2HG   MET  24          1HG       MET  24   5.282   6.156   1.807
  183   1HE   MET  24          1HE       MET  24   2.265   6.255   1.656
  184   2HE   MET  24          2HE       MET  24   3.465   7.433   1.118
  185   3HE   MET  24          3HE       MET  24   2.069   7.966   2.052
  186    H    GLN  25           H        GLN  25   7.062   2.539   3.760
  187    HA   GLN  25           HA       GLN  25   9.055   4.646   3.610
  188   1HB   GLN  25          2HB       GLN  25   8.702   2.097   5.129
  189   2HB   GLN  25          1HB       GLN  25  10.345   2.716   4.999
  190   1HG   GLN  25          2HG       GLN  25   9.703   4.815   6.006
  191   2HG   GLN  25          1HG       GLN  25   7.995   4.377   5.954
  192   1HE2  GLN  25          1HE2      GLN  25   7.172   3.303   7.777
  193   2HE2  GLN  25          2HE2      GLN  25   8.130   2.626   9.006
  194    H    ALA  26           H        ALA  26   9.241   1.126   2.786
  195    HA   ALA  26           HA       ALA  26  11.789   1.382   1.480
  196   1HB   ALA  26          1HB       ALA  26  11.189  -0.781   0.377
  197   2HB   ALA  26          2HB       ALA  26   9.565  -0.627   1.051
  198   3HB   ALA  26          3HB       ALA  26  10.951  -0.801   2.127
  199    H    ALA  27           H        ALA  27   8.565   2.131   0.301
  200    HA   ALA  27           HA       ALA  27   9.211   2.015  -2.485
  201   1HB   ALA  27          1HB       ALA  27   6.952   2.309  -2.483
  202   2HB   ALA  27          2HB       ALA  27   7.242   4.011  -2.115
  203   3HB   ALA  27          3HB       ALA  27   6.990   2.861  -0.810
  204    H    VAL  28           H        VAL  28   8.921   4.864  -0.309
  205    HA   VAL  28           HA       VAL  28   9.800   6.830  -2.082
  206    HB   VAL  28           HB       VAL  28  10.339   6.558   0.888
  207   1HG1  VAL  28          1HG1      VAL  28  10.876   8.831  -1.025
  208   2HG1  VAL  28          2HG1      VAL  28  11.991   8.093   0.115
  209   3HG1  VAL  28          3HG1      VAL  28  10.664   9.099   0.693
  210   1HG2  VAL  28          1HG2      VAL  28   8.455   8.055   1.118
  211   2HG2  VAL  28          2HG2      VAL  28   7.954   6.738   0.060
  212   3HG2  VAL  28          3HG2      VAL  28   8.377   8.309  -0.619
  213    H    SER  29           H        SER  29  11.602   4.252  -0.675
  214    HA   SER  29           HA       SER  29  14.217   5.476  -1.228
  215   1HB   SER  29          2HB       SER  29  14.780   4.008   0.413
  216   2HB   SER  29          1HB       SER  29  13.150   3.357   0.364
  217    HG   SER  29           HG       SER  29  15.471   2.515  -0.979
  218    H    ASN  30           H        ASN  30  11.885   3.468  -2.792
  219    HA   ASN  30           HA       ASN  30  13.871   2.685  -4.891
  220   1HB   ASN  30          2HB       ASN  30  11.296   1.477  -3.893
  221   2HB   ASN  30          1HB       ASN  30  11.953   1.057  -5.473
  222   1HD2  ASN  30          1HD2      ASN  30  12.933   1.243  -2.024
  223   2HD2  ASN  30          2HD2      ASN  30  14.007  -0.073  -2.093
  224    H    GLY  31           H        GLY  31  11.930   5.194  -4.302
  225   1HA   GLY  31          2HA       GLY  31  10.903   6.740  -5.741
  226   2HA   GLY  31          1HA       GLY  31  11.681   5.865  -7.060
  227    H    ILE  32           H        ILE  32   9.171   4.608  -4.825
  228    HA   ILE  32           HA       ILE  32   7.507   4.074  -7.271
  229    HB   ILE  32           HB       ILE  32   7.902   2.568  -4.706
  230   1HG1  ILE  32          2HG1      ILE  32   8.287   1.670  -7.566
  231   2HG1  ILE  32          1HG1      ILE  32   9.564   2.509  -6.683
  232   1HG2  ILE  32          1HG2      ILE  32   5.609   2.223  -5.122
  233   2HG2  ILE  32          2HG2      ILE  32   6.383   0.863  -5.933
  234   3HG2  ILE  32          3HG2      ILE  32   5.828   2.251  -6.875
  235   1HD1  ILE  32          1HD1      ILE  32   9.361   0.791  -4.902
  236   2HD1  ILE  32          2HD1      ILE  32   9.918   0.164  -6.433
  237   3HD1  ILE  32          3HD1      ILE  32   8.249  -0.105  -5.932
  238    H    TYR  33           H        TYR  33   6.895   4.429  -3.776
  239    HA   TYR  33           HA       TYR  33   4.165   5.294  -4.441
  240   1HB   TYR  33          2HB       TYR  33   5.036   3.665  -2.500
  241   2HB   TYR  33          1HB       TYR  33   5.127   5.185  -1.609
  242    HD1  TYR  33           1HD      TYR  33   3.224   5.668  -0.372
  243    HD2  TYR  33           2HD      TYR  33   2.801   3.510  -4.059
  244    HE1  TYR  33           1HE      TYR  33   0.786   5.539  -0.014
  245    HE2  TYR  33           2HE      TYR  33   0.351   3.398  -3.707
  246    HH   TYR  33           HH       TYR  33  -1.094   4.058  -0.737
  247    H    ASP  34           H        ASP  34   6.992   6.857  -4.443
  248    HA   ASP  34           HA       ASP  34   6.570   9.081  -2.720
  249   1HB   ASP  34          2HB       ASP  34   8.040  10.280  -4.497
  250   2HB   ASP  34          1HB       ASP  34   8.736   8.913  -3.631
  251    H    ILE  35           H        ILE  35   6.620   9.763  -6.116
  252    HA   ILE  35           HA       ILE  35   5.250  11.224  -7.385
  253    HB   ILE  35           HB       ILE  35   3.006   9.741  -5.981
  254   1HG1  ILE  35          2HG1      ILE  35   4.666   8.930  -8.389
  255   2HG1  ILE  35          1HG1      ILE  35   4.667   8.131  -6.819
  256   1HG2  ILE  35          1HG2      ILE  35   1.753  10.212  -7.978
  257   2HG2  ILE  35          2HG2      ILE  35   3.188  10.805  -8.809
  258   3HG2  ILE  35          3HG2      ILE  35   2.496  11.731  -7.482
  259   1HD1  ILE  35          1HD1      ILE  35   2.410   8.280  -8.828
  260   2HD1  ILE  35          2HD1      ILE  35   2.148   7.806  -7.146
  261   3HD1  ILE  35          3HD1      ILE  35   3.198   6.839  -8.182
  262    H    VAL  36           H        VAL  36   2.961  10.934  -4.677
  263    HA   VAL  36           HA       VAL  36   3.537  13.769  -3.902
  264    HB   VAL  36           HB       VAL  36   0.997  13.964  -3.565
  265   1HG1  VAL  36          1HG1      VAL  36   0.642  14.373  -6.058
  266   2HG1  VAL  36          2HG1      VAL  36   2.267  13.736  -6.308
  267   3HG1  VAL  36          3HG1      VAL  36   2.029  15.195  -5.347
  268   1HG2  VAL  36          1HG2      VAL  36   0.648  11.467  -3.818
  269   2HG2  VAL  36          2HG2      VAL  36   0.994  11.659  -5.539
  270   3HG2  VAL  36          3HG2      VAL  36  -0.408  12.457  -4.828
  271    H    GLY  37           H        GLY  37   1.688  13.976  -1.852
  272   1HA   GLY  37          2HA       GLY  37   1.333  11.806  -0.106
  273   2HA   GLY  37          1HA       GLY  37   2.944  12.432   0.240
  274    H    ASP  38           H        ASP  38  -0.474  13.049   0.494
  275    HA   ASP  38           HA       ASP  38  -0.308  15.813   1.272
  276   1HB   ASP  38          2HB       ASP  38  -2.391  14.586   0.518
  277   2HB   ASP  38          1HB       ASP  38  -2.438  13.844   2.118
  278    H    CYS  39           H        CYS  39  -1.261  13.136   3.476
  279    HA   CYS  39           HA       CYS  39  -0.382  14.696   5.760
  280   1HB   CYS  39          2HB       CYS  39  -1.169  12.927   7.114
  281   2HB   CYS  39          1HB       CYS  39  -2.258  12.942   5.736
  282    H    GLY  40           H        GLY  40   1.421  13.182   3.505
  283   1HA   GLY  40          2HA       GLY  40   3.711  12.640   3.516
  284   2HA   GLY  40          1HA       GLY  40   3.772  13.152   5.200
  285    H    GLY  41           H        GLY  41   1.277  11.024   5.066
  286   1HA   GLY  41          2HA       GLY  41   1.275   8.575   5.047
  287   2HA   GLY  41          1HA       GLY  41   2.993   8.595   5.436
  288    H    SER  42           H        SER  42   0.790  10.757   7.078
  289    HA   SER  42           HA       SER  42   1.327   9.289   9.624
  290   1HB   SER  42          2HB       SER  42   1.843  11.709   9.560
  291   2HB   SER  42          1HB       SER  42   0.168  12.052   9.133
  292    HG   SER  42           HG       SER  42  -0.382  10.948  11.130
  293    H    ALA  43           H        ALA  43  -0.695   8.525   7.497
  294    HA   ALA  43           HA       ALA  43  -2.916   7.772   7.419
  295   1HB   ALA  43          1HB       ALA  43  -2.012   6.593   9.485
  296   2HB   ALA  43          2HB       ALA  43  -3.762   6.803   9.438
  297   3HB   ALA  43          3HB       ALA  43  -2.774   7.867  10.438
  298    H    SER  44           H        SER  44  -3.042  10.321   6.823
  299    HA   SER  44           HA       SER  44  -5.388  11.311   8.348
  300   1HB   SER  44          2HB       SER  44  -2.958  12.303   9.036
  301   2HB   SER  44          1HB       SER  44  -3.369  13.415   7.729
  302    HG   SER  44           HG       SER  44  -4.194  13.563  10.163
  303    H    CYS  45           H        CYS  45  -4.517  10.318   5.509
  304    HA   CYS  45           HA       CYS  45  -6.213  12.269   4.089
  305   1HB   CYS  45          2HB       CYS  45  -4.678  12.931   2.455
  306   2HB   CYS  45          1HB       CYS  45  -3.694  12.954   3.916
  307    H    ALA  46           H        ALA  46  -5.910  11.377   1.525
  308    HA   ALA  46           HA       ALA  46  -6.368   8.416   1.653
  309   1HB   ALA  46          1HB       ALA  46  -8.134  10.602   0.588
  310   2HB   ALA  46          2HB       ALA  46  -8.576   9.175   1.518
  311   3HB   ALA  46          3HB       ALA  46  -8.169   9.019  -0.184
  312    H    THR  47           H        THR  47  -4.304  10.585   0.563
  313    HA   THR  47           HA       THR  47  -4.257  10.188  -2.284
  314    HB   THR  47           HB       THR  47  -1.846  10.936  -2.047
  315    HG1  THR  47           1HG      THR  47  -1.276  10.263  -0.072
  316   1HG2  THR  47          1HG2      THR  47  -2.432  13.202  -1.384
  317   2HG2  THR  47          2HG2      THR  47  -3.882  12.620  -0.568
  318   3HG2  THR  47          3HG2      THR  47  -3.757  12.518  -2.317
  319    H    CYS  48           H        CYS  48  -3.266   8.225   0.395
  320    HA   CYS  48           HA       CYS  48  -1.490   6.555  -1.246
  321   1HB   CYS  48          2HB       CYS  48  -1.337   5.180   0.875
  322   2HB   CYS  48          1HB       CYS  48  -0.779   6.848   1.006
  323    H    HIS  49           H        HIS  49  -4.216   6.668  -2.117
  324    HA   HIS  49           HA       HIS  49  -5.779   4.390  -1.278
  325   1HB   HIS  49          2HB       HIS  49  -6.832   6.280  -2.327
  326   2HB   HIS  49          1HB       HIS  49  -5.751   6.207  -3.684
  327    HD1  HIS  49           1HD      HIS  49  -8.140   3.589  -2.166
  328    HD2  HIS  49           2HD      HIS  49  -7.200   5.375  -5.803
  329    HE1  HIS  49           1HE      HIS  49  -9.672   2.535  -3.921
  330    HE2  HIS  49           2HE      HIS  49  -9.083   3.615  -6.122
  331    H    VAL  50           H        VAL  50  -5.051   2.248  -1.620
  332    HA   VAL  50           HA       VAL  50  -4.269   1.525  -4.396
  333    HB   VAL  50           HB       VAL  50  -2.178   0.656  -3.942
  334   1HG1  VAL  50          1HG1      VAL  50  -2.071   3.026  -3.294
  335   2HG1  VAL  50          2HG1      VAL  50  -0.951   2.049  -2.342
  336   3HG1  VAL  50          3HG1      VAL  50  -2.468   2.587  -1.635
  337   1HG2  VAL  50          1HG2      VAL  50  -2.713  -1.074  -2.398
  338   2HG2  VAL  50          2HG2      VAL  50  -3.209   0.076  -1.154
  339   3HG2  VAL  50          3HG2      VAL  50  -1.503  -0.092  -1.572
  340    H    TYR  51           H        TYR  51  -4.006  -1.049  -4.398
  341    HA   TYR  51           HA       TYR  51  -6.207  -2.191  -2.739
  342   1HB   TYR  51          2HB       TYR  51  -5.468  -2.646  -5.609
  343   2HB   TYR  51          1HB       TYR  51  -6.706  -3.534  -4.761
  344    HD1  TYR  51           1HD      TYR  51  -8.567  -2.009  -3.567
  345    HD2  TYR  51           2HD      TYR  51  -5.992  -0.687  -6.753
  346    HE1  TYR  51           1HE      TYR  51 -10.106  -0.137  -4.053
  347    HE2  TYR  51           2HE      TYR  51  -7.551   1.132  -7.213
  348    HH   TYR  51           HH       TYR  51 -10.457   1.673  -5.343
  349    H    VAL  52           H        VAL  52  -5.216  -3.447  -1.368
  350    HA   VAL  52           HA       VAL  52  -2.729  -4.929  -1.965
  351    HB   VAL  52           HB       VAL  52  -4.472  -5.038   0.504
  352   1HG1  VAL  52          1HG1      VAL  52  -3.163  -7.013   0.444
  353   2HG1  VAL  52          2HG1      VAL  52  -2.281  -5.915   1.501
  354   3HG1  VAL  52          3HG1      VAL  52  -1.748  -6.150  -0.153
  355   1HG2  VAL  52          1HG2      VAL  52  -3.080  -3.425   1.502
  356   2HG2  VAL  52          2HG2      VAL  52  -3.310  -2.794  -0.117
  357   3HG2  VAL  52          3HG2      VAL  52  -1.813  -3.626   0.295
  358    H    ASN  53           H        ASN  53  -2.682  -7.114  -2.487
  359    HA   ASN  53           HA       ASN  53  -5.032  -8.398  -3.414
  360   1HB   ASN  53          2HB       ASN  53  -2.963  -9.289  -4.127
  361   2HB   ASN  53          1HB       ASN  53  -2.386  -9.515  -2.478
  362   1HD2  ASN  53          1HD2      ASN  53  -2.092 -11.794  -3.681
  363   2HD2  ASN  53          2HD2      ASN  53  -3.378 -12.884  -3.465
  364    H    GLU  54           H        GLU  54  -6.757  -9.013  -2.259
  365    HA   GLU  54           HA       GLU  54  -7.149  -8.862   0.463
  366   1HB   GLU  54          2HB       GLU  54  -8.983 -10.558   0.140
  367   2HB   GLU  54          1HB       GLU  54  -9.005  -9.230  -1.018
  368   1HG   GLU  54          2HG       GLU  54  -7.944 -10.604  -2.706
  369   2HG   GLU  54          1HG       GLU  54  -7.685 -11.907  -1.546
  370    H    ALA  55           H        ALA  55  -4.907 -10.983  -0.836
  371    HA   ALA  55           HA       ALA  55  -5.399 -13.158   1.100
  372   1HB   ALA  55          1HB       ALA  55  -3.304 -14.124   0.059
  373   2HB   ALA  55          2HB       ALA  55  -3.291 -12.739  -1.026
  374   3HB   ALA  55          3HB       ALA  55  -4.641 -13.871  -1.053
  375    H    PHE  56           H        PHE  56  -3.599 -10.151   1.137
  376    HA   PHE  56           HA       PHE  56  -1.901 -11.175   3.369
  377   1HB   PHE  56          2HB       PHE  56  -1.538  -8.934   1.367
  378   2HB   PHE  56          1HB       PHE  56  -0.466  -9.202   2.737
  379    HD1  PHE  56           1HD      PHE  56  -1.938 -11.021  -0.197
  380    HD2  PHE  56           2HD      PHE  56   1.383 -10.620   2.473
  381    HE1  PHE  56           1HE      PHE  56  -0.705 -12.744  -1.469
  382    HE2  PHE  56           2HE      PHE  56   2.611 -12.354   1.227
  383    HZ   PHE  56           HZ       PHE  56   1.575 -13.413  -0.767
  384    H    THR  57           H        THR  57  -4.567  -9.397   2.475
  385    HA   THR  57           HA       THR  57  -4.418  -7.136   4.257
  386    HB   THR  57           HB       THR  57  -6.909  -7.035   3.872
  387    HG1  THR  57           1HG      THR  57  -6.406  -9.570   3.118
  388   1HG2  THR  57          1HG2      THR  57  -5.393  -7.494   1.304
  389   2HG2  THR  57          2HG2      THR  57  -5.110  -6.092   2.329
  390   3HG2  THR  57          3HG2      THR  57  -6.696  -6.345   1.612
  391    H    ASP  58           H        ASP  58  -5.888 -10.384   4.579
  392    HA   ASP  58           HA       ASP  58  -6.840  -9.705   7.288
  393   1HB   ASP  58          2HB       ASP  58  -7.903 -11.885   7.245
  394   2HB   ASP  58          1HB       ASP  58  -8.194 -11.110   5.689
  395    H    LYS  59           H        LYS  59  -3.925 -10.389   6.131
  396    HA   LYS  59           HA       LYS  59  -3.148 -12.171   8.414
  397   1HB   LYS  59          2HB       LYS  59  -1.407 -11.589   6.033
  398   2HB   LYS  59          1HB       LYS  59  -1.448 -13.024   7.059
  399   1HG   LYS  59          2HG       LYS  59  -3.866 -13.351   6.140
  400   2HG   LYS  59          1HG       LYS  59  -3.407 -12.184   4.895
  401   1HD   LYS  59          2HD       LYS  59  -3.081 -14.509   4.127
  402   2HD   LYS  59          1HD       LYS  59  -1.550 -13.646   4.193
  403   1HE   LYS  59          2HE       LYS  59  -0.750 -14.981   5.902
  404   2HE   LYS  59          1HE       LYS  59  -2.337 -15.155   6.649
  405   1HZ   LYS  59          1HZ       LYS  59  -2.039 -17.222   5.783
  406   2HZ   LYS  59          2HZ       LYS  59  -1.146 -16.671   4.448
  407   3HZ   LYS  59          3HZ       LYS  59  -2.833 -16.477   4.483
  408    H    VAL  60           H        VAL  60  -2.183  -9.285   6.571
  409    HA   VAL  60           HA       VAL  60  -0.119  -8.549   8.453
  410    HB   VAL  60           HB       VAL  60  -0.931  -7.743   5.899
  411   1HG1  VAL  60          1HG1      VAL  60  -1.417  -5.465   5.814
  412   2HG1  VAL  60          2HG1      VAL  60  -0.981  -5.207   7.498
  413   3HG1  VAL  60          3HG1      VAL  60  -2.454  -6.081   7.090
  414   1HG2  VAL  60          1HG2      VAL  60   1.431  -7.465   7.488
  415   2HG2  VAL  60          2HG2      VAL  60   1.103  -5.899   6.762
  416   3HG2  VAL  60          3HG2      VAL  60   1.277  -7.324   5.738
  417    HA   PRO  61           HA       PRO  61  -2.298  -6.837  11.794
  418   1HB   PRO  61          2HB       PRO  61  -1.220  -4.205  12.016
  419   2HB   PRO  61          1HB       PRO  61  -0.660  -5.671  12.836
  420   1HG   PRO  61          2HG       PRO  61   0.480  -4.283  10.514
  421   2HG   PRO  61          1HG       PRO  61   1.233  -5.449  11.611
  422   1HD   PRO  61          2HD       PRO  61   0.475  -5.982   8.996
  423   2HD   PRO  61          1HD       PRO  61   0.778  -7.220  10.200
  424    H    ALA  62           H        ALA  62  -4.391  -6.392  11.709
  425    HA   ALA  62           HA       ALA  62  -5.927  -5.101   9.920
  426   1HB   ALA  62          1HB       ALA  62  -6.249  -5.214  12.913
  427   2HB   ALA  62          2HB       ALA  62  -6.957  -6.295  11.720
  428   3HB   ALA  62          3HB       ALA  62  -7.509  -4.624  11.835
  429    H    ALA  63           H        ALA  63  -6.257  -3.136   9.304
  430    HA   ALA  63           HA       ALA  63  -4.668  -0.896  10.192
  431   1HB   ALA  63          1HB       ALA  63  -7.128  -0.999   8.418
  432   2HB   ALA  63          2HB       ALA  63  -5.449  -1.029   7.877
  433   3HB   ALA  63          3HB       ALA  63  -6.107   0.420   8.635
  434    H    ASN  64           H        ASN  64  -6.614   1.207  10.170
  435    HA   ASN  64           HA       ASN  64  -8.140   0.665  12.708
  436   1HB   ASN  64          2HB       ASN  64  -7.597   3.247  13.057
  437   2HB   ASN  64          1HB       ASN  64  -6.461   2.006  13.551
  438   1HD2  ASN  64          1HD2      ASN  64  -6.576   4.897  11.917
  439   2HD2  ASN  64          2HD2      ASN  64  -5.243   4.692  10.892
  440    H    GLU  65           H        GLU  65  -9.999   1.865  13.043
  441    HA   GLU  65           HA       GLU  65 -11.694   2.256  10.758
  442   1HB   GLU  65          2HB       GLU  65 -13.360   2.992  12.391
  443   2HB   GLU  65          1HB       GLU  65 -12.488   1.596  13.028
  444   1HG   GLU  65          2HG       GLU  65 -10.931   3.253  14.178
  445   2HG   GLU  65          1HG       GLU  65 -12.098   4.505  13.755
  446    H    ARG  66           H        ARG  66  -9.346   4.367  11.993
  447    HA   ARG  66           HA       ARG  66 -10.808   6.836  11.460
  448   1HB   ARG  66          2HB       ARG  66  -7.798   6.716  11.438
  449   2HB   ARG  66          1HB       ARG  66  -8.857   7.975  12.060
  450   1HG   ARG  66          2HG       ARG  66  -8.549   5.252  13.338
  451   2HG   ARG  66          1HG       ARG  66  -7.677   6.682  13.852
  452   1HD   ARG  66          2HD       ARG  66 -10.693   6.610  13.726
  453   2HD   ARG  66          1HD       ARG  66  -9.799   6.117  15.154
  454    HE   ARG  66           HE       ARG  66  -8.899   8.708  14.292
  455   1HH1  ARG  66          1HH2      ARG  66 -11.487   7.004  15.776
  456   2HH1  ARG  66          2HH2      ARG  66 -12.007   8.339  16.737
  457   1HH2  ARG  66          1HH1      ARG  66  -9.569  10.493  15.536
  458   2HH2  ARG  66          2HH1      ARG  66 -10.913  10.328  16.616
  459    H    GLU  67           H        GLU  67  -8.770   4.618   9.708
  460    HA   GLU  67           HA       GLU  67  -8.396   6.341   7.396
  461   1HB   GLU  67          2HB       GLU  67  -8.094   3.334   7.630
  462   2HB   GLU  67          1HB       GLU  67  -7.417   4.356   6.362
  463   1HG   GLU  67          2HG       GLU  67  -5.901   5.405   7.868
  464   2HG   GLU  67          1HG       GLU  67  -6.758   4.803   9.283
  465    H    ILE  68           H        ILE  68 -10.624   3.745   8.310
  466    HA   ILE  68           HA       ILE  68 -11.895   3.183   5.887
  467    HB   ILE  68           HB       ILE  68 -12.869   3.362   8.736
  468   1HG1  ILE  68          2HG1      ILE  68 -13.110   0.971   8.505
  469   2HG1  ILE  68          1HG1      ILE  68 -12.900   1.059   6.757
  470   1HG2  ILE  68          1HG2      ILE  68 -15.060   2.347   7.874
  471   2HG2  ILE  68          2HG2      ILE  68 -14.596   2.949   6.282
  472   3HG2  ILE  68          3HG2      ILE  68 -14.850   4.079   7.616
  473   1HD1  ILE  68          1HD1      ILE  68 -10.596   1.570   6.946
  474   2HD1  ILE  68          2HD1      ILE  68 -10.862   0.329   8.172
  475   3HD1  ILE  68          3HD1      ILE  68 -10.751   2.019   8.643
  476    H    GLY  69           H        GLY  69 -12.447   5.888   8.069
  477   1HA   GLY  69          2HA       GLY  69 -14.501   7.126   6.446
  478   2HA   GLY  69          1HA       GLY  69 -13.620   7.933   7.736
  479    H    MET  70           H        MET  70 -10.972   7.295   6.389
  480    HA   MET  70           HA       MET  70 -10.974   9.611   4.559
  481   1HB   MET  70          2HB       MET  70  -8.712   7.703   5.260
  482   2HB   MET  70          1HB       MET  70  -8.561   9.279   4.484
  483   1HG   MET  70          2HG       MET  70  -9.415  10.383   6.494
  484   2HG   MET  70          1HG       MET  70  -9.648   8.818   7.269
  485   1HE   MET  70          1HE       MET  70  -8.515   9.480   9.208
  486   2HE   MET  70          2HE       MET  70  -6.778   9.339   9.457
  487   3HE   MET  70          3HE       MET  70  -7.704   7.924   8.980
  488    H    LEU  71           H        LEU  71 -10.678   6.107   4.504
  489    HA   LEU  71           HA       LEU  71  -9.990   5.799   1.743
  490   1HB   LEU  71          2HB       LEU  71 -11.103   4.102   3.918
  491   2HB   LEU  71          1HB       LEU  71 -11.433   3.537   2.291
  492    HG   LEU  71           HG       LEU  71  -8.622   4.366   2.993
  493   1HD1  LEU  71          1HD1      LEU  71  -9.244   2.861   4.826
  494   2HD1  LEU  71          2HD1      LEU  71  -8.132   2.050   3.728
  495   3HD1  LEU  71          3HD1      LEU  71  -9.855   1.680   3.665
  496   1HD2  LEU  71          1HD2      LEU  71  -9.066   3.792   0.676
  497   2HD2  LEU  71          2HD2      LEU  71  -9.853   2.295   1.168
  498   3HD2  LEU  71          3HD2      LEU  71  -8.122   2.486   1.392
  499    H    GLU  72           H        GLU  72 -13.017   6.504   3.379
  500    HA   GLU  72           HA       GLU  72 -14.662   5.952   1.033
  501   1HB   GLU  72          2HB       GLU  72 -15.386   5.978   3.518
  502   2HB   GLU  72          1HB       GLU  72 -15.378   7.736   3.391
  503   1HG   GLU  72          2HG       GLU  72 -17.631   6.982   2.944
  504   2HG   GLU  72          1HG       GLU  72 -16.943   7.482   1.399
  505    H    CYS  73           H        CYS  73 -12.311   8.062   1.548
  506    HA   CYS  73           HA       CYS  73 -13.602  10.335   0.050
  507   1HB   CYS  73          2HB       CYS  73 -12.089  10.274   2.481
  508   2HB   CYS  73          1HB       CYS  73 -11.114  11.128   1.294
  509    HG   CYS  73           HG       CYS  73 -14.069  12.030   1.564
  510    H    VAL  74           H        VAL  74 -11.937   7.758  -0.871
  511    HA   VAL  74           HA       VAL  74  -9.563   8.865  -2.086
  512    HB   VAL  74           HB       VAL  74  -9.591   6.735  -3.390
  513   1HG1  VAL  74          1HG1      VAL  74 -10.185   6.364  -0.456
  514   2HG1  VAL  74          2HG1      VAL  74  -8.646   6.941  -1.071
  515   3HG1  VAL  74          3HG1      VAL  74  -9.199   5.315  -1.468
  516   1HG2  VAL  74          1HG2      VAL  74 -11.405   5.287  -3.384
  517   2HG2  VAL  74          2HG2      VAL  74 -12.297   6.783  -3.170
  518   3HG2  VAL  74          3HG2      VAL  74 -11.931   5.785  -1.769
  519    H    THR  75           H        THR  75  -9.217   8.845  -4.491
  520    HA   THR  75           HA       THR  75 -11.419  10.268  -5.830
  521    HB   THR  75           HB       THR  75  -8.801   9.597  -7.180
  522    HG1  THR  75           1HG      THR  75  -7.738  10.781  -5.830
  523   1HG2  THR  75          1HG2      THR  75 -10.585  12.053  -7.158
  524   2HG2  THR  75          2HG2      THR  75 -10.566  10.814  -8.415
  525   3HG2  THR  75          3HG2      THR  75  -9.146  11.828  -8.156
  526    H    ALA  76           H        ALA  76  -9.901   7.022  -6.011
  527    HA   ALA  76           HA       ALA  76 -11.488   6.471  -8.480
  528   1HB   ALA  76          1HB       ALA  76  -9.302   5.717  -8.835
  529   2HB   ALA  76          2HB       ALA  76 -10.103   4.250  -8.269
  530   3HB   ALA  76          3HB       ALA  76  -9.104   5.190  -7.167
  531    H    GLU  77           H        GLU  77 -12.191   3.920  -8.352
  532    HA   GLU  77           HA       GLU  77 -14.315   3.865  -6.452
  533   1HB   GLU  77          2HB       GLU  77 -15.051   2.504  -8.116
  534   2HB   GLU  77          1HB       GLU  77 -13.428   2.409  -8.761
  535   1HG   GLU  77          2HG       GLU  77 -12.919   0.470  -7.386
  536   2HG   GLU  77          1HG       GLU  77 -14.439   0.641  -6.508
  537    H    LEU  78           H        LEU  78 -14.296   3.120  -4.358
  538    HA   LEU  78           HA       LEU  78 -11.872   1.849  -3.293
  539   1HB   LEU  78          2HB       LEU  78 -13.642   3.451  -2.091
  540   2HB   LEU  78          1HB       LEU  78 -14.447   1.923  -1.738
  541    HG   LEU  78           HG       LEU  78 -12.141   1.103  -0.906
  542   1HD1  LEU  78          1HD1      LEU  78 -11.329   3.606  -1.904
  543   2HD1  LEU  78          2HD1      LEU  78 -10.368   2.469  -1.008
  544   3HD1  LEU  78          3HD1      LEU  78 -11.225   3.752  -0.154
  545   1HD2  LEU  78          1HD2      LEU  78 -12.598   1.801   1.273
  546   2HD2  LEU  78          2HD2      LEU  78 -14.172   1.940   0.504
  547   3HD2  LEU  78          3HD2      LEU  78 -13.188   3.378   0.759
  548    H    LYS  79           H        LYS  79 -11.921  -0.129  -2.145
  549    HA   LYS  79           HA       LYS  79 -13.692  -2.189  -3.395
  550   1HB   LYS  79          2HB       LYS  79 -10.759  -1.980  -2.844
  551   2HB   LYS  79          1HB       LYS  79 -11.485  -3.583  -2.801
  552   1HG   LYS  79          2HG       LYS  79 -11.890  -1.720  -5.137
  553   2HG   LYS  79          1HG       LYS  79 -10.473  -2.754  -5.033
  554   1HD   LYS  79          2HD       LYS  79 -12.040  -4.726  -4.739
  555   2HD   LYS  79          1HD       LYS  79 -13.371  -3.641  -5.131
  556   1HE   LYS  79          2HE       LYS  79 -12.519  -3.228  -7.324
  557   2HE   LYS  79          1HE       LYS  79 -10.975  -3.992  -6.938
  558   1HZ   LYS  79          1HZ       LYS  79 -12.847  -5.287  -8.208
  559   2HZ   LYS  79          2HZ       LYS  79 -13.421  -5.573  -6.629
  560   3HZ   LYS  79          3HZ       LYS  79 -11.857  -6.071  -7.069
  561    HA   PRO  80           HA       PRO  80 -14.741  -3.314   0.767
  562   1HB   PRO  80          2HB       PRO  80 -14.624  -6.104   0.632
  563   2HB   PRO  80          1HB       PRO  80 -16.003  -5.126   0.086
  564   1HG   PRO  80          2HG       PRO  80 -13.801  -6.339  -1.515
  565   2HG   PRO  80          1HG       PRO  80 -15.522  -6.167  -1.908
  566   1HD   PRO  80          2HD       PRO  80 -13.633  -4.525  -2.970
  567   2HD   PRO  80          1HD       PRO  80 -15.278  -3.953  -2.608
  568    H    ASN  81           H        ASN  81 -11.941  -4.792  -0.737
  569    HA   ASN  81           HA       ASN  81 -10.586  -5.007   1.913
  570   1HB   ASN  81          2HB       ASN  81  -9.598  -6.938   1.191
  571   2HB   ASN  81          1HB       ASN  81 -10.852  -6.931  -0.039
  572   1HD2  ASN  81          1HD2      ASN  81 -10.135  -5.445  -2.062
  573   2HD2  ASN  81          2HD2      ASN  81  -8.542  -5.699  -2.590
  574    H    SER  82           H        SER  82 -10.902  -2.503   0.103
  575    HA   SER  82           HA       SER  82  -8.266  -1.930  -0.925
  576   1HB   SER  82          2HB       SER  82 -10.792  -0.690  -0.904
  577   2HB   SER  82          1HB       SER  82  -9.681   0.438  -0.133
  578    HG   SER  82           HG       SER  82  -9.259   0.843  -2.164
  579    H    ARG  83           H        ARG  83  -6.673  -0.652   0.066
  580    HA   ARG  83           HA       ARG  83  -7.031   0.079   2.932
  581   1HB   ARG  83          2HB       ARG  83  -4.910  -1.882   2.010
  582   2HB   ARG  83          1HB       ARG  83  -5.002  -1.168   3.619
  583   1HG   ARG  83          2HG       ARG  83  -7.367  -2.123   3.755
  584   2HG   ARG  83          1HG       ARG  83  -6.971  -3.055   2.316
  585   1HD   ARG  83          2HD       ARG  83  -6.180  -4.620   3.785
  586   2HD   ARG  83          1HD       ARG  83  -4.792  -3.551   3.983
  587    HE   ARG  83           HE       ARG  83  -6.910  -2.702   5.710
  588   1HH1  ARG  83          1HH2      ARG  83  -4.539  -5.156   5.212
  589   2HH1  ARG  83          2HH2      ARG  83  -4.371  -5.522   6.889
  590   1HH2  ARG  83          1HH1      ARG  83  -6.700  -3.172   7.912
  591   2HH2  ARG  83          2HH1      ARG  83  -5.587  -4.396   8.416
  592    H    LEU  84           H        LEU  84  -5.264   1.334   3.772
  593    HA   LEU  84           HA       LEU  84  -4.036   3.041   1.699
  594   1HB   LEU  84          2HB       LEU  84  -4.013   3.216   4.725
  595   2HB   LEU  84          1HB       LEU  84  -3.432   4.459   3.642
  596    HG   LEU  84           HG       LEU  84  -6.283   3.497   3.996
  597   1HD1  LEU  84          1HD1      LEU  84  -6.708   5.795   4.652
  598   2HD1  LEU  84          2HD1      LEU  84  -5.058   6.259   4.233
  599   3HD1  LEU  84          3HD1      LEU  84  -5.355   5.180   5.599
  600   1HD2  LEU  84          1HD2      LEU  84  -6.697   5.426   2.245
  601   2HD2  LEU  84          2HD2      LEU  84  -6.233   3.831   1.667
  602   3HD2  LEU  84          3HD2      LEU  84  -5.035   5.112   1.776
  603    H    CYS  85           H        CYS  85  -1.756   3.282   1.493
  604    HA   CYS  85           HA       CYS  85  -0.258   0.873   2.294
  605   1HB   CYS  85          2HB       CYS  85  -0.273   2.193  -0.003
  606   2HB   CYS  85          1HB       CYS  85   1.004   3.123   0.770
  607    HG   CYS  85           HG       CYS  85   2.541   1.221   0.419
  608    H    CYS  86           H        CYS  86  -0.513   4.159   3.428
  609    HA   CYS  86           HA       CYS  86   2.179   4.152   4.604
  610   1HB   CYS  86          2HB       CYS  86   1.631   6.317   5.489
  611   2HB   CYS  86          1HB       CYS  86   1.038   6.252   3.835
  612    H    GLN  87           H        GLN  87  -0.265   2.262   5.405
  613    HA   GLN  87           HA       GLN  87   0.381   2.419   8.331
  614   1HB   GLN  87          2HB       GLN  87  -1.944   2.053   8.940
  615   2HB   GLN  87          1HB       GLN  87  -1.826   3.494   7.929
  616   1HG   GLN  87          2HG       GLN  87  -3.593   2.435   6.870
  617   2HG   GLN  87          1HG       GLN  87  -2.258   1.745   5.960
  618   1HE2  GLN  87          1HE2      GLN  87  -3.205  -0.322   5.538
  619   2HE2  GLN  87          2HE2      GLN  87  -3.607  -1.423   6.766
  620    H    ILE  88           H        ILE  88   0.950   0.644   5.872
  621    HA   ILE  88           HA       ILE  88   0.116  -1.993   7.078
  622    HB   ILE  88           HB       ILE  88   0.937  -1.362   4.225
  623   1HG1  ILE  88          2HG1      ILE  88  -1.685  -2.242   5.495
  624   2HG1  ILE  88          1HG1      ILE  88  -1.329  -0.616   4.914
  625   1HG2  ILE  88          1HG2      ILE  88   0.309  -3.949   5.669
  626   2HG2  ILE  88          2HG2      ILE  88   1.754  -3.556   4.751
  627   3HG2  ILE  88          3HG2      ILE  88   0.225  -3.807   3.919
  628   1HD1  ILE  88          1HD1      ILE  88  -2.509  -1.612   3.126
  629   2HD1  ILE  88          2HD1      ILE  88  -1.654  -3.144   3.310
  630   3HD1  ILE  88          3HD1      ILE  88  -0.817  -1.742   2.646
  631    H    ILE  89           H        ILE  89   1.639  -3.158   8.071
  632    HA   ILE  89           HA       ILE  89   4.507  -2.428   7.782
  633    HB   ILE  89           HB       ILE  89   3.196  -4.293   9.775
  634   1HG1  ILE  89          2HG1      ILE  89   2.203  -2.095  10.041
  635   2HG1  ILE  89          1HG1      ILE  89   3.358  -2.352  11.352
  636   1HG2  ILE  89          1HG2      ILE  89   5.627  -4.607   9.539
  637   2HG2  ILE  89          2HG2      ILE  89   5.244  -3.849  11.087
  638   3HG2  ILE  89          3HG2      ILE  89   5.873  -2.871   9.764
  639   1HD1  ILE  89          1HD1      ILE  89   3.625  -0.588   8.923
  640   2HD1  ILE  89          2HD1      ILE  89   5.057  -1.150   9.783
  641   3HD1  ILE  89          3HD1      ILE  89   3.852  -0.173  10.619
  642    H    MET  90           H        MET  90   5.785  -3.693   6.504
  643    HA   MET  90           HA       MET  90   4.840  -6.280   5.581
  644   1HB   MET  90          2HB       MET  90   6.420  -4.499   4.396
  645   2HB   MET  90          1HB       MET  90   7.689  -5.471   5.146
  646   1HG   MET  90          2HG       MET  90   7.278  -6.489   3.024
  647   2HG   MET  90          1HG       MET  90   6.477  -7.520   4.195
  648   1HE   MET  90          1HE       MET  90   4.632  -8.629   2.702
  649   2HE   MET  90          2HE       MET  90   3.079  -7.827   2.930
  650   3HE   MET  90          3HE       MET  90   4.152  -8.062   4.307
  651    H    THR  91           H        THR  91   5.949  -8.266   5.840
  652    HA   THR  91           HA       THR  91   7.935  -8.538   8.004
  653    HB   THR  91           HB       THR  91   6.534 -10.442   8.991
  654    HG1  THR  91           1HG      THR  91   4.337  -9.061   7.934
  655   1HG2  THR  91          1HG2      THR  91   5.480  -7.619   9.245
  656   2HG2  THR  91          2HG2      THR  91   6.832  -8.305  10.152
  657   3HG2  THR  91          3HG2      THR  91   5.201  -8.927  10.395
  658    HA   PRO  92           HA       PRO  92   9.452 -11.466   5.067
  659   1HB   PRO  92          2HB       PRO  92  10.379 -13.479   6.791
  660   2HB   PRO  92          1HB       PRO  92  11.295 -12.039   6.315
  661   1HG   PRO  92          2HG       PRO  92   9.719 -12.550   8.795
  662   2HG   PRO  92          1HG       PRO  92  11.253 -11.686   8.592
  663   1HD   PRO  92          2HD       PRO  92   8.944 -10.353   8.948
  664   2HD   PRO  92          1HD       PRO  92  10.203  -9.730   7.845
  665    H    GLU  93           H        GLU  93   7.576 -12.906   7.741
  666    HA   GLU  93           HA       GLU  93   6.854 -15.301   6.432
  667   1HB   GLU  93          2HB       GLU  93   4.732 -15.118   7.893
  668   2HB   GLU  93          1HB       GLU  93   6.293 -15.169   8.714
  669   1HG   GLU  93          2HG       GLU  93   6.288 -12.828   9.112
  670   2HG   GLU  93          1HG       GLU  93   4.971 -12.560   7.966
  671    H    LEU  94           H        LEU  94   5.410 -12.060   6.167
  672    HA   LEU  94           HA       LEU  94   3.335 -13.109   4.356
  673   1HB   LEU  94          2HB       LEU  94   3.865 -10.469   5.647
  674   2HB   LEU  94          1HB       LEU  94   2.985 -10.400   4.144
  675    HG   LEU  94           HG       LEU  94   2.190 -12.213   6.438
  676   1HD1  LEU  94          1HD1      LEU  94   2.131  -9.637   6.885
  677   2HD1  LEU  94          2HD1      LEU  94   0.694 -10.593   7.244
  678   3HD1  LEU  94          3HD1      LEU  94   0.772  -9.638   5.764
  679   1HD2  LEU  94          1HD2      LEU  94   0.367 -12.804   5.185
  680   2HD2  LEU  94          2HD2      LEU  94   1.395 -12.381   3.834
  681   3HD2  LEU  94          3HD2      LEU  94   0.216 -11.222   4.425
  682    H    ASP  95           H        ASP  95   6.308 -13.081   3.711
  683    HA   ASP  95           HA       ASP  95   6.876 -11.245   1.649
  684   1HB   ASP  95          2HB       ASP  95   8.496 -12.937   0.851
  685   2HB   ASP  95          1HB       ASP  95   8.552 -12.779   2.602
  686    H    GLY  96           H        GLY  96   6.361 -11.137  -0.497
  687   1HA   GLY  96          2HA       GLY  96   5.720 -12.163  -2.621
  688   2HA   GLY  96          1HA       GLY  96   4.724 -13.307  -1.725
  689    H    ILE  97           H        ILE  97   4.293 -10.438  -0.211
  690    HA   ILE  97           HA       ILE  97   1.597 -10.214  -0.909
  691    HB   ILE  97           HB       ILE  97   2.620  -9.214   1.096
  692   1HG1  ILE  97          2HG1      ILE  97   0.348  -8.579   0.133
  693   2HG1  ILE  97          1HG1      ILE  97   1.035  -7.490   1.314
  694   1HG2  ILE  97          1HG2      ILE  97   4.566  -8.094   0.448
  695   2HG2  ILE  97          2HG2      ILE  97   3.440  -6.769   0.742
  696   3HG2  ILE  97          3HG2      ILE  97   3.776  -7.277  -0.892
  697   1HD1  ILE  97          1HD1      ILE  97   0.236  -7.018  -1.413
  698   2HD1  ILE  97          2HD1      ILE  97   1.903  -6.515  -1.182
  699   3HD1  ILE  97          3HD1      ILE  97   0.629  -5.862  -0.160
  700    H    VAL  98           H        VAL  98   0.388  -9.310  -2.484
  701    HA   VAL  98           HA       VAL  98   1.844  -7.838  -4.664
  702    HB   VAL  98           HB       VAL  98  -0.892  -9.064  -4.896
  703   1HG1  VAL  98          1HG1      VAL  98  -0.224  -9.235  -7.275
  704   2HG1  VAL  98          2HG1      VAL  98   1.317  -8.475  -6.880
  705   3HG1  VAL  98          3HG1      VAL  98  -0.186  -7.569  -6.693
  706   1HG2  VAL  98          1HG2      VAL  98   0.338 -11.066  -5.864
  707   2HG2  VAL  98          2HG2      VAL  98   0.464 -10.884  -4.109
  708   3HG2  VAL  98          3HG2      VAL  98   1.808 -10.403  -5.152
  709    H    VAL  99           H        VAL  99   1.496  -5.661  -4.740
  710    HA   VAL  99           HA       VAL  99  -0.979  -4.534  -3.473
  711    HB   VAL  99           HB       VAL  99   1.418  -2.930  -4.392
  712   1HG1  VAL  99          1HG1      VAL  99   0.703  -1.521  -2.456
  713   2HG1  VAL  99          2HG1      VAL  99  -0.624  -2.649  -2.157
  714   3HG1  VAL  99          3HG1      VAL  99  -0.569  -1.719  -3.658
  715   1HG2  VAL  99          1HG2      VAL  99   2.510  -3.231  -2.251
  716   2HG2  VAL  99          2HG2      VAL  99   2.277  -4.819  -2.965
  717   3HG2  VAL  99          3HG2      VAL  99   1.209  -4.268  -1.683
  718    H    ASP 100           H        ASP 100  -2.478  -3.731  -4.830
  719    HA   ASP 100           HA       ASP 100  -1.771  -3.197  -7.678
  720   1HB   ASP 100          2HB       ASP 100  -4.151  -4.250  -6.273
  721   2HB   ASP 100          1HB       ASP 100  -4.507  -3.148  -7.616
  722    H    VAL 101           H        VAL 101  -1.557  -1.184  -8.294
  723    HA   VAL 101           HA       VAL 101  -2.740   1.007  -6.641
  724    HB   VAL 101           HB       VAL 101  -0.450   1.170  -8.616
  725   1HG1  VAL 101          1HG1      VAL 101  -1.397   3.043  -6.424
  726   2HG1  VAL 101          2HG1      VAL 101  -1.631   3.295  -8.150
  727   3HG1  VAL 101          3HG1      VAL 101  -0.004   3.304  -7.470
  728   1HG2  VAL 101          1HG2      VAL 101   0.207  -0.304  -6.803
  729   2HG2  VAL 101          2HG2      VAL 101  -0.469   0.799  -5.603
  730   3HG2  VAL 101          3HG2      VAL 101   0.959   1.268  -6.526
  731    HA   PRO 102           HA       PRO 102  -5.229   1.728 -10.367
  732   1HB   PRO 102          2HB       PRO 102  -6.655   3.865  -9.541
  733   2HB   PRO 102          1HB       PRO 102  -6.887   2.268  -8.825
  734   1HG   PRO 102          2HG       PRO 102  -5.315   4.573  -7.783
  735   2HG   PRO 102          1HG       PRO 102  -6.435   3.497  -6.929
  736   1HD   PRO 102          2HD       PRO 102  -3.699   3.187  -6.854
  737   2HD   PRO 102          1HD       PRO 102  -4.852   1.848  -6.638
  738    H    ASP 103           H        ASP 103  -6.029   3.896 -11.508
  739    HA   ASP 103           HA       ASP 103  -3.601   5.284 -12.463
  740   1HB   ASP 103          2HB       ASP 103  -5.482   4.400 -13.979
  741   2HB   ASP 103          1HB       ASP 103  -6.453   5.743 -13.375
  742    H    ARG 104           H        ARG 104  -6.202   5.735 -10.284
  743    HA   ARG 104           HA       ARG 104  -5.457   8.612  -9.908
  744   1HB   ARG 104          2HB       ARG 104  -8.212   7.767  -9.074
  745   2HB   ARG 104          1HB       ARG 104  -7.662   9.284  -9.776
  746   1HG   ARG 104          2HG       ARG 104  -7.357   7.436 -11.888
  747   2HG   ARG 104          1HG       ARG 104  -8.854   6.935 -11.112
  748   1HD   ARG 104          2HD       ARG 104  -9.528   8.530 -12.711
  749   2HD   ARG 104          1HD       ARG 104  -9.479   9.453 -11.208
  750    HE   ARG 104           HE       ARG 104  -6.910   9.666 -12.294
  751   1HH1  ARG 104          1HH2      ARG 104 -10.159  10.365 -13.237
  752   2HH1  ARG 104          2HH2      ARG 104  -9.724  11.738 -14.203
  753   1HH2  ARG 104          1HH1      ARG 104  -6.322  11.442 -13.549
  754   2HH2  ARG 104          2HH1      ARG 104  -7.540  12.359 -14.374
  755    H    GLN 105           H        GLN 105  -4.403   8.678  -7.937
  756    HA   GLN 105           HA       GLN 105  -5.346   6.789  -5.806
  757   1HB   GLN 105          2HB       GLN 105  -2.984   7.156  -4.895
  758   2HB   GLN 105          1HB       GLN 105  -3.078   6.236  -6.400
  759   1HG   GLN 105          2HG       GLN 105  -2.546   8.236  -7.698
  760   2HG   GLN 105          1HG       GLN 105  -2.542   9.218  -6.236
  761   1HE2  GLN 105          1HE2      GLN 105  -1.101   5.980  -6.910
  762   2HE2  GLN 105          2HE2      GLN 105   0.472   6.425  -6.458
  763    H    TRP 106           H        TRP 106  -4.956   9.979  -6.864
  764    HA   TRP 106           HA       TRP 106  -4.458  11.562  -4.626
  765   1HB   TRP 106          2HB       TRP 106  -4.957  12.415  -6.929
  766   2HB   TRP 106          1HB       TRP 106  -6.665  12.088  -6.644
  767    HD1  TRP 106           HD       TRP 106  -7.998  13.744  -5.130
  768    HE1  TRP 106           1HE      TRP 106  -7.417  16.013  -4.038
  769    HE3  TRP 106           3HE      TRP 106  -2.936  13.805  -5.826
  770    HZ2  TRP 106           2HZ      TRP 106  -5.126  17.633  -3.540
  771    HZ3  TRP 106           3HZ      TRP 106  -1.583  15.723  -5.036
  772    HH2  TRP 106           HH       TRP 106  -2.670  17.635  -3.890
  Start of MODEL   13
    1   1H    SER   1          1HT       SER   1  11.333  -8.228   3.378
    2   2H    SER   1          2HT       SER   1  12.021  -9.760   3.123
    3   3H    SER   1          3HT       SER   1  11.238  -9.413   4.592
    4    HA   SER   1           HA       SER   1   9.897 -10.805   3.053
    5   1HB   SER   1          2HB       SER   1   7.921  -9.001   3.117
    6   2HB   SER   1          1HB       SER   1   8.513  -9.745   4.594
    7    HG   SER   1           HG       SER   1   8.844  -7.735   5.142
    8    H    LYS   2           H        LYS   2   8.822 -10.930   1.012
    9    HA   LYS   2           HA       LYS   2   9.964  -9.150  -1.039
   10   1HB   LYS   2          2HB       LYS   2   8.602 -11.803  -0.920
   11   2HB   LYS   2          1HB       LYS   2   8.268 -10.861  -2.368
   12   1HG   LYS   2          2HG       LYS   2  11.112 -11.196  -1.401
   13   2HG   LYS   2          1HG       LYS   2  10.343 -12.490  -2.318
   14   1HD   LYS   2          2HD       LYS   2  10.205  -9.674  -3.381
   15   2HD   LYS   2          1HD       LYS   2  11.699 -10.588  -3.573
   16   1HE   LYS   2          2HE       LYS   2  10.411 -12.425  -4.655
   17   2HE   LYS   2          1HE       LYS   2   8.948 -11.446  -4.525
   18   1HZ   LYS   2          1HZ       LYS   2  11.164 -10.048  -5.703
   19   2HZ   LYS   2          2HZ       LYS   2   9.560 -10.190  -6.242
   20   3HZ   LYS   2          3HZ       LYS   2  10.690 -11.407  -6.599
   21    H    VAL   3           H        VAL   3   8.845  -7.338  -1.660
   22    HA   VAL   3           HA       VAL   3   5.870  -7.299  -1.242
   23    HB   VAL   3           HB       VAL   3   8.115  -5.399  -0.734
   24   1HG1  VAL   3          1HG1      VAL   3   7.046  -4.042  -2.338
   25   2HG1  VAL   3          2HG1      VAL   3   6.459  -3.462  -0.784
   26   3HG1  VAL   3          3HG1      VAL   3   5.435  -4.499  -1.780
   27   1HG2  VAL   3          1HG2      VAL   3   6.952  -6.520   1.075
   28   2HG2  VAL   3          2HG2      VAL   3   5.421  -5.836   0.547
   29   3HG2  VAL   3          3HG2      VAL   3   6.687  -4.784   1.175
   30    H    VAL   4           H        VAL   4   4.814  -7.208  -3.168
   31    HA   VAL   4           HA       VAL   4   6.311  -6.214  -5.576
   32    HB   VAL   4           HB       VAL   4   4.058  -8.167  -5.293
   33   1HG1  VAL   4          1HG1      VAL   4   3.550  -6.918  -7.271
   34   2HG1  VAL   4          2HG1      VAL   4   4.357  -8.385  -7.824
   35   3HG1  VAL   4          3HG1      VAL   4   5.248  -6.865  -7.742
   36   1HG2  VAL   4          1HG2      VAL   4   6.901  -8.389  -6.287
   37   2HG2  VAL   4          2HG2      VAL   4   5.708  -9.681  -6.405
   38   3HG2  VAL   4          3HG2      VAL   4   6.238  -9.116  -4.822
   39    H    TYR   5           H        TYR   5   5.588  -4.517  -6.526
   40    HA   TYR   5           HA       TYR   5   3.001  -3.265  -5.737
   41   1HB   TYR   5          2HB       TYR   5   5.579  -2.098  -6.790
   42   2HB   TYR   5          1HB       TYR   5   4.079  -1.181  -6.758
   43    HD1  TYR   5           1HD      TYR   5   6.898  -2.365  -4.840
   44    HD2  TYR   5           2HD      TYR   5   2.885  -0.863  -4.521
   45    HE1  TYR   5           1HE      TYR   5   7.291  -1.782  -2.463
   46    HE2  TYR   5           2HE      TYR   5   3.295  -0.275  -2.152
   47    HH   TYR   5           HH       TYR   5   6.507  -0.545  -0.728
   48    H    VAL   6           H        VAL   6   1.459  -3.588  -7.281
   49    HA   VAL   6           HA       VAL   6   2.334  -3.973 -10.117
   50    HB   VAL   6           HB       VAL   6  -0.274  -4.557  -8.708
   51   1HG1  VAL   6          1HG1      VAL   6  -0.896  -3.854 -10.885
   52   2HG1  VAL   6          2HG1      VAL   6  -0.852  -5.614 -10.959
   53   3HG1  VAL   6          3HG1      VAL   6   0.485  -4.673 -11.618
   54   1HG2  VAL   6          1HG2      VAL   6   1.922  -6.260  -9.877
   55   2HG2  VAL   6          2HG2      VAL   6   0.329  -6.901  -9.484
   56   3HG2  VAL   6          3HG2      VAL   6   1.353  -6.232  -8.206
   57    H    SER   7           H        SER   7   2.422  -2.096 -11.136
   58    HA   SER   7           HA       SER   7   1.008   0.255 -10.207
   59   1HB   SER   7          2HB       SER   7   2.206   1.443 -11.857
   60   2HB   SER   7          1HB       SER   7   3.303   0.151 -11.380
   61    HG   SER   7           HG       SER   7   1.663   0.338 -13.678
   62    H    HIS   8           H        HIS   8   0.038   1.612 -12.109
   63    HA   HIS   8           HA       HIS   8  -2.386   0.190 -12.922
   64   1HB   HIS   8          2HB       HIS   8  -2.269   2.757 -14.228
   65   2HB   HIS   8          1HB       HIS   8  -3.236   2.308 -12.831
   66    HD1  HIS   8           1HD      HIS   8  -1.076   1.979 -10.683
   67    HD2  HIS   8           2HD      HIS   8  -1.112   5.133 -13.415
   68    HE1  HIS   8           1HE      HIS   8   0.261   3.858  -9.632
   69    HE2  HIS   8           2HE      HIS   8   0.250   5.779 -11.287
   70    H    ASP   9           H        ASP   9   0.456   1.610 -14.508
   71    HA   ASP   9           HA       ASP   9  -0.303   0.960 -17.176
   72   1HB   ASP   9          2HB       ASP   9   2.335   1.002 -17.449
   73   2HB   ASP   9          1HB       ASP   9   1.460   2.486 -17.080
   74    H    GLY  10           H        GLY  10   0.467  -1.148 -14.619
   75   1HA   GLY  10          2HA       GLY  10   0.298  -3.538 -14.886
   76   2HA   GLY  10          1HA       GLY  10   0.818  -3.375 -16.564
   77    H    THR  11           H        THR  11   2.938  -1.412 -15.174
   78    HA   THR  11           HA       THR  11   5.036  -3.395 -15.232
   79    HB   THR  11           HB       THR  11   5.065  -0.738 -15.654
   80    HG1  THR  11           1HG      THR  11   7.385  -0.968 -15.347
   81   1HG2  THR  11          1HG2      THR  11   6.335  -0.977 -12.913
   82   2HG2  THR  11          2HG2      THR  11   4.731  -0.291 -13.180
   83   3HG2  THR  11          3HG2      THR  11   6.145   0.479 -13.889
   84    H    ARG  12           H        ARG  12   5.875  -4.523 -13.651
   85    HA   ARG  12           HA       ARG  12   4.763  -4.195 -10.900
   86   1HB   ARG  12          2HB       ARG  12   6.412  -6.503 -11.976
   87   2HB   ARG  12          1HB       ARG  12   5.474  -6.455 -10.484
   88   1HG   ARG  12          2HG       ARG  12   3.469  -5.884 -12.123
   89   2HG   ARG  12          1HG       ARG  12   4.506  -6.639 -13.327
   90   1HD   ARG  12          2HD       ARG  12   4.446  -8.365 -11.013
   91   2HD   ARG  12          1HD       ARG  12   2.796  -7.929 -11.411
   92    HE   ARG  12           HE       ARG  12   3.128  -8.866 -13.654
   93   1HH1  ARG  12          1HH2      ARG  12   5.749  -9.375 -11.413
   94   2HH1  ARG  12          2HH2      ARG  12   6.299 -10.808 -12.207
   95   1HH2  ARG  12          1HH1      ARG  12   3.851 -10.752 -14.647
   96   2HH2  ARG  12          2HH1      ARG  12   5.233 -11.591 -14.025
   97    H    ARG  13           H        ARG  13   6.013  -3.465  -9.242
   98    HA   ARG  13           HA       ARG  13   8.982  -3.340  -9.619
   99   1HB   ARG  13          2HB       ARG  13   7.383  -1.155  -9.476
  100   2HB   ARG  13          1HB       ARG  13   7.571  -1.460  -7.767
  101   1HG   ARG  13          2HG       ARG  13   9.519  -0.300  -7.858
  102   2HG   ARG  13          1HG       ARG  13  10.208  -1.658  -8.737
  103   1HD   ARG  13          2HD       ARG  13  10.615   0.149 -10.194
  104   2HD   ARG  13          1HD       ARG  13   9.113  -0.512 -10.834
  105    HE   ARG  13           HE       ARG  13   9.083   1.758  -8.877
  106   1HH1  ARG  13          1HH2      ARG  13   8.312   0.466 -12.007
  107   2HH1  ARG  13          2HH2      ARG  13   7.057   1.612 -12.307
  108   1HH2  ARG  13          1HH1      ARG  13   7.462   3.257  -9.277
  109   2HH2  ARG  13          2HH1      ARG  13   6.579   3.205 -10.772
  110    H    GLU  14           H        GLU  14   9.855  -4.768  -8.183
  111    HA   GLU  14           HA       GLU  14   8.343  -5.421  -5.702
  112   1HB   GLU  14          2HB       GLU  14  10.607  -7.082  -6.796
  113   2HB   GLU  14          1HB       GLU  14   9.249  -7.576  -5.781
  114   1HG   GLU  14          2HG       GLU  14   8.635  -8.401  -7.896
  115   2HG   GLU  14          1HG       GLU  14   7.775  -6.863  -7.821
  116    H    LEU  15           H        LEU  15   9.261  -4.921  -3.734
  117    HA   LEU  15           HA       LEU  15  12.197  -4.262  -3.645
  118   1HB   LEU  15          2HB       LEU  15  10.528  -2.922  -1.582
  119   2HB   LEU  15          1HB       LEU  15  11.855  -2.281  -2.532
  120    HG   LEU  15           HG       LEU  15   9.068  -2.696  -3.527
  121   1HD1  LEU  15          1HD1      LEU  15   9.290  -0.981  -1.708
  122   2HD1  LEU  15          2HD1      LEU  15   8.850  -0.254  -3.241
  123   3HD1  LEU  15          3HD1      LEU  15  10.503  -0.158  -2.671
  124   1HD2  LEU  15          1HD2      LEU  15  11.018  -0.803  -4.824
  125   2HD2  LEU  15          2HD2      LEU  15   9.770  -1.810  -5.568
  126   3HD2  LEU  15          3HD2      LEU  15  11.299  -2.531  -5.077
  127    H    ASP  16           H        ASP  16  12.890  -4.199  -1.323
  128    HA   ASP  16           HA       ASP  16  11.734  -6.525   0.180
  129   1HB   ASP  16          2HB       ASP  16  14.185  -6.662  -0.520
  130   2HB   ASP  16          1HB       ASP  16  14.484  -5.254   0.500
  131    H    VAL  17           H        VAL  17  10.412  -5.712   1.792
  132    HA   VAL  17           HA       VAL  17  11.084  -3.045   3.007
  133    HB   VAL  17           HB       VAL  17   8.393  -4.495   2.962
  134   1HG1  VAL  17          1HG1      VAL  17   8.040  -2.904   4.566
  135   2HG1  VAL  17          2HG1      VAL  17   7.827  -1.845   3.182
  136   3HG1  VAL  17          3HG1      VAL  17   9.371  -1.881   4.027
  137   1HG2  VAL  17          1HG2      VAL  17   9.602  -2.413   1.114
  138   2HG2  VAL  17          2HG2      VAL  17   7.883  -2.799   1.147
  139   3HG2  VAL  17          3HG2      VAL  17   9.060  -4.024   0.690
  140    H    ALA  18           H        ALA  18  11.894  -3.194   5.022
  141    HA   ALA  18           HA       ALA  18  12.191  -5.709   6.339
  142   1HB   ALA  18          1HB       ALA  18  12.441  -3.223   7.974
  143   2HB   ALA  18          2HB       ALA  18  13.461  -3.333   6.542
  144   3HB   ALA  18          3HB       ALA  18  13.563  -4.573   7.789
  145    H    ASP  19           H        ASP  19  11.398  -6.335   8.386
  146    HA   ASP  19           HA       ASP  19   8.596  -6.302   8.691
  147   1HB   ASP  19          2HB       ASP  19   9.120  -7.079  11.054
  148   2HB   ASP  19          1HB       ASP  19   9.856  -8.031   9.776
  149    H    GLY  20           H        GLY  20   7.234  -5.041   9.799
  150   1HA   GLY  20          2HA       GLY  20   6.470  -3.282  11.208
  151   2HA   GLY  20          1HA       GLY  20   8.128  -3.057  11.733
  152    H    VAL  21           H        VAL  21   8.231  -2.935   8.349
  153    HA   VAL  21           HA       VAL  21   8.353   0.019   8.501
  154    HB   VAL  21           HB       VAL  21   8.992  -1.904   6.265
  155   1HG1  VAL  21          1HG1      VAL  21   8.430   0.130   5.248
  156   2HG1  VAL  21          2HG1      VAL  21  10.191   0.143   5.342
  157   3HG1  VAL  21          3HG1      VAL  21   9.237   1.073   6.497
  158   1HG2  VAL  21          1HG2      VAL  21  11.286  -1.613   6.763
  159   2HG2  VAL  21          2HG2      VAL  21  10.505  -1.945   8.314
  160   3HG2  VAL  21          3HG2      VAL  21  10.947  -0.292   7.892
  161    H    SER  22           H        SER  22   7.070   1.334   7.062
  162    HA   SER  22           HA       SER  22   4.494   0.085   6.336
  163   1HB   SER  22          2HB       SER  22   3.698   2.165   6.829
  164   2HB   SER  22          1HB       SER  22   5.343   2.680   7.184
  165    HG   SER  22           HG       SER  22   4.362   2.529   4.533
  166    H    LEU  23           H        LEU  23   3.898  -0.288   4.196
  167    HA   LEU  23           HA       LEU  23   5.809  -0.629   2.163
  168   1HB   LEU  23          2HB       LEU  23   2.861   0.017   2.012
  169   2HB   LEU  23          1HB       LEU  23   3.811  -0.326   0.569
  170    HG   LEU  23           HG       LEU  23   3.725  -2.249   2.912
  171   1HD1  LEU  23          1HD1      LEU  23   1.955  -3.450   1.794
  172   2HD1  LEU  23          2HD1      LEU  23   2.032  -2.372   0.403
  173   3HD1  LEU  23          3HD1      LEU  23   1.420  -1.780   1.938
  174   1HD2  LEU  23          1HD2      LEU  23   4.444  -2.507  -0.021
  175   2HD2  LEU  23          2HD2      LEU  23   4.275  -3.875   1.064
  176   3HD2  LEU  23          3HD2      LEU  23   5.539  -2.690   1.339
  177    H    MET  24           H        MET  24   3.543   2.104   2.444
  178    HA   MET  24           HA       MET  24   4.537   3.733   0.415
  179   1HB   MET  24          2HB       MET  24   2.576   4.056   2.120
  180   2HB   MET  24          1HB       MET  24   3.769   4.880   3.094
  181   1HG   MET  24          2HG       MET  24   3.258   5.622   0.203
  182   2HG   MET  24          1HG       MET  24   2.366   6.346   1.535
  183   1HE   MET  24          1HE       MET  24   2.957   8.370   0.512
  184   2HE   MET  24          2HE       MET  24   4.386   8.241  -0.507
  185   3HE   MET  24          3HE       MET  24   4.402   9.321   0.878
  186    H    GLN  25           H        GLN  25   6.057   2.840   3.384
  187    HA   GLN  25           HA       GLN  25   7.911   5.076   3.500
  188   1HB   GLN  25          2HB       GLN  25   7.152   3.348   5.363
  189   2HB   GLN  25          1HB       GLN  25   8.500   2.402   4.742
  190   1HG   GLN  25          2HG       GLN  25  10.047   4.235   5.179
  191   2HG   GLN  25          1HG       GLN  25   8.714   5.279   5.678
  192   1HE2  GLN  25          1HE2      GLN  25   7.204   3.675   7.338
  193   2HE2  GLN  25          2HE2      GLN  25   8.127   3.136   8.659
  194    H    ALA  26           H        ALA  26   8.505   1.582   2.846
  195    HA   ALA  26           HA       ALA  26  11.101   2.028   1.688
  196   1HB   ALA  26          1HB       ALA  26  10.667  -0.186   2.342
  197   2HB   ALA  26          2HB       ALA  26  10.571  -0.282   0.587
  198   3HB   ALA  26          3HB       ALA  26   9.094  -0.207   1.551
  199    H    ALA  27           H        ALA  27   7.915   2.392   0.294
  200    HA   ALA  27           HA       ALA  27   8.696   2.129  -2.451
  201   1HB   ALA  27          1HB       ALA  27   6.523   3.946  -2.300
  202   2HB   ALA  27          2HB       ALA  27   6.333   2.868  -0.917
  203   3HB   ALA  27          3HB       ALA  27   6.419   2.201  -2.546
  204    H    VAL  28           H        VAL  28   8.155   5.048  -0.448
  205    HA   VAL  28           HA       VAL  28   8.947   6.983  -2.332
  206    HB   VAL  28           HB       VAL  28   9.285   6.930   0.680
  207   1HG1  VAL  28          1HG1      VAL  28  10.870   8.549  -0.088
  208   2HG1  VAL  28          2HG1      VAL  28   9.436   9.465   0.375
  209   3HG1  VAL  28          3HG1      VAL  28   9.765   9.146  -1.322
  210   1HG2  VAL  28          1HG2      VAL  28   6.969   6.855  -0.272
  211   2HG2  VAL  28          2HG2      VAL  28   7.304   8.370  -1.106
  212   3HG2  VAL  28          3HG2      VAL  28   7.286   8.322   0.651
  213    H    SER  29           H        SER  29  10.856   4.641  -0.671
  214    HA   SER  29           HA       SER  29  13.401   6.055  -1.126
  215   1HB   SER  29          2HB       SER  29  13.980   4.731   0.627
  216   2HB   SER  29          1HB       SER  29  12.412   3.947   0.518
  217    HG   SER  29           HG       SER  29  13.354   2.282  -0.328
  218    H    ASN  30           H        ASN  30  11.338   3.826  -2.716
  219    HA   ASN  30           HA       ASN  30  13.501   3.030  -4.632
  220   1HB   ASN  30          2HB       ASN  30  10.849   1.808  -3.871
  221   2HB   ASN  30          1HB       ASN  30  11.666   1.376  -5.366
  222   1HD2  ASN  30          1HD2      ASN  30  12.335   1.631  -1.838
  223   2HD2  ASN  30          2HD2      ASN  30  13.412   0.319  -1.800
  224    H    GLY  31           H        GLY  31  11.578   5.551  -4.287
  225   1HA   GLY  31          2HA       GLY  31  10.687   7.058  -5.854
  226   2HA   GLY  31          1HA       GLY  31  11.475   6.087  -7.093
  227    H    ILE  32           H        ILE  32   8.825   5.186  -4.843
  228    HA   ILE  32           HA       ILE  32   7.239   4.425  -7.271
  229    HB   ILE  32           HB       ILE  32   7.091   3.305  -4.479
  230   1HG1  ILE  32          2HG1      ILE  32   8.647   2.511  -6.943
  231   2HG1  ILE  32          1HG1      ILE  32   9.228   2.701  -5.291
  232   1HG2  ILE  32          1HG2      ILE  32   5.053   3.117  -6.088
  233   2HG2  ILE  32          2HG2      ILE  32   5.667   1.635  -5.359
  234   3HG2  ILE  32          3HG2      ILE  32   6.078   2.035  -7.028
  235   1HD1  ILE  32          1HD1      ILE  32   9.101   0.385  -5.479
  236   2HD1  ILE  32          2HD1      ILE  32   7.671   0.450  -6.503
  237   3HD1  ILE  32          3HD1      ILE  32   7.525   0.758  -4.779
  238    H    TYR  33           H        TYR  33   6.488   5.309  -3.853
  239    HA   TYR  33           HA       TYR  33   3.936   6.436  -4.837
  240   1HB   TYR  33          2HB       TYR  33   4.983   5.680  -2.124
  241   2HB   TYR  33          1HB       TYR  33   3.604   6.769  -2.270
  242    HD1  TYR  33           1HD      TYR  33   4.845   3.576  -3.810
  243    HD2  TYR  33           2HD      TYR  33   1.479   5.785  -2.327
  244    HE1  TYR  33           1HE      TYR  33   3.373   1.664  -4.326
  245    HE2  TYR  33           2HE      TYR  33   0.004   3.873  -2.841
  246    HH   TYR  33           HH       TYR  33  -0.089   1.913  -4.143
  247    H    ASP  34           H        ASP  34   6.928   7.731  -4.835
  248    HA   ASP  34           HA       ASP  34   6.710  10.032  -3.221
  249   1HB   ASP  34          2HB       ASP  34   8.209  11.052  -5.079
  250   2HB   ASP  34          1HB       ASP  34   8.817   9.632  -4.226
  251    H    ILE  35           H        ILE  35   6.841  10.819  -6.517
  252    HA   ILE  35           HA       ILE  35   5.661  12.637  -7.569
  253    HB   ILE  35           HB       ILE  35   3.243  11.618  -8.100
  254   1HG1  ILE  35          2HG1      ILE  35   4.789   9.171  -7.184
  255   2HG1  ILE  35          1HG1      ILE  35   3.497   9.909  -6.239
  256   1HG2  ILE  35          1HG2      ILE  35   5.850  10.374  -9.028
  257   2HG2  ILE  35          2HG2      ILE  35   5.072  11.796  -9.723
  258   3HG2  ILE  35          3HG2      ILE  35   4.299  10.216  -9.852
  259   1HD1  ILE  35          1HD1      ILE  35   2.633   8.045  -7.597
  260   2HD1  ILE  35          2HD1      ILE  35   3.216   8.844  -9.057
  261   3HD1  ILE  35          3HD1      ILE  35   1.928   9.580  -8.107
  262    H    VAL  36           H        VAL  36   2.747  11.450  -6.012
  263    HA   VAL  36           HA       VAL  36   2.330  14.140  -4.820
  264    HB   VAL  36           HB       VAL  36   0.423  11.784  -4.929
  265   1HG1  VAL  36          1HG1      VAL  36  -0.219  14.732  -4.766
  266   2HG1  VAL  36          2HG1      VAL  36   0.042  13.756  -3.322
  267   3HG1  VAL  36          3HG1      VAL  36  -1.269  13.360  -4.428
  268   1HG2  VAL  36          1HG2      VAL  36   1.059  12.353  -7.211
  269   2HG2  VAL  36          2HG2      VAL  36   0.840  14.072  -6.877
  270   3HG2  VAL  36          3HG2      VAL  36  -0.556  12.994  -6.903
  271    H    GLY  37           H        GLY  37   1.936  14.372  -2.546
  272   1HA   GLY  37          2HA       GLY  37   1.996  12.044  -0.784
  273   2HA   GLY  37          1HA       GLY  37   3.474  13.003  -0.717
  274    H    ASP  38           H        ASP  38   0.017  13.030  -0.033
  275    HA   ASP  38           HA       ASP  38  -0.098  15.763   0.870
  276   1HB   ASP  38          2HB       ASP  38  -1.847  13.337   1.186
  277   2HB   ASP  38          1HB       ASP  38  -2.174  14.762   2.169
  278    H    CYS  39           H        CYS  39  -0.466  12.869   2.992
  279    HA   CYS  39           HA       CYS  39   0.653  14.463   5.201
  280   1HB   CYS  39          2HB       CYS  39  -0.168  12.821   6.659
  281   2HB   CYS  39          1HB       CYS  39  -1.341  12.803   5.352
  282    H    GLY  40           H        GLY  40   1.966  12.570   2.790
  283   1HA   GLY  40          2HA       GLY  40   4.190  11.865   2.492
  284   2HA   GLY  40          1HA       GLY  40   4.570  12.591   4.047
  285    H    GLY  41           H        GLY  41   1.980  10.485   4.427
  286   1HA   GLY  41          2HA       GLY  41   2.016   8.050   4.731
  287   2HA   GLY  41          1HA       GLY  41   3.753   8.136   5.002
  288    H    SER  42           H        SER  42   1.730  10.534   6.495
  289    HA   SER  42           HA       SER  42   2.373   9.379   9.162
  290   1HB   SER  42          2HB       SER  42   2.880  11.804   8.573
  291   2HB   SER  42          1HB       SER  42   1.140  12.073   8.535
  292    HG   SER  42           HG       SER  42   1.016  11.645  10.666
  293    H    ALA  43           H        ALA  43   0.113   8.607   7.169
  294    HA   ALA  43           HA       ALA  43  -2.110   7.893   7.352
  295   1HB   ALA  43          1HB       ALA  43  -1.048   6.899   9.472
  296   2HB   ALA  43          2HB       ALA  43  -2.803   7.067   9.459
  297   3HB   ALA  43          3HB       ALA  43  -1.811   8.233  10.335
  298    H    SER  44           H        SER  44  -2.142  10.431   6.590
  299    HA   SER  44           HA       SER  44  -4.409  11.578   8.117
  300   1HB   SER  44          2HB       SER  44  -3.305  13.424   8.886
  301   2HB   SER  44          1HB       SER  44  -1.824  12.547   8.522
  302    HG   SER  44           HG       SER  44  -3.082  14.613   7.164
  303    H    CYS  45           H        CYS  45  -3.833  10.336   5.400
  304    HA   CYS  45           HA       CYS  45  -5.413  12.272   3.875
  305   1HB   CYS  45          2HB       CYS  45  -3.890  12.793   2.180
  306   2HB   CYS  45          1HB       CYS  45  -2.877  12.860   3.609
  307    H    ALA  46           H        ALA  46  -5.175  11.228   1.357
  308    HA   ALA  46           HA       ALA  46  -5.757   8.300   1.663
  309   1HB   ALA  46          1HB       ALA  46  -7.929   9.063   1.374
  310   2HB   ALA  46          2HB       ALA  46  -7.453   8.968  -0.316
  311   3HB   ALA  46          3HB       ALA  46  -7.412  10.513   0.519
  312    H    THR  47           H        THR  47  -3.672  10.444   0.381
  313    HA   THR  47           HA       THR  47  -3.512   9.869  -2.383
  314    HB   THR  47           HB       THR  47  -1.109  10.482  -2.161
  315    HG1  THR  47           1HG      THR  47  -1.455   9.535   0.244
  316   1HG2  THR  47          1HG2      THR  47  -1.487  12.730  -1.153
  317   2HG2  THR  47          2HG2      THR  47  -3.047  12.167  -0.560
  318   3HG2  THR  47          3HG2      THR  47  -2.757  12.274  -2.296
  319    H    CYS  48           H        CYS  48  -2.748   7.910   0.366
  320    HA   CYS  48           HA       CYS  48  -1.125   6.010  -1.207
  321   1HB   CYS  48          2HB       CYS  48  -1.059   4.759   0.971
  322   2HB   CYS  48          1HB       CYS  48  -0.406   6.390   1.050
  323    H    HIS  49           H        HIS  49  -3.860   6.379  -2.037
  324    HA   HIS  49           HA       HIS  49  -5.529   4.200  -1.083
  325   1HB   HIS  49          2HB       HIS  49  -6.610   6.098  -2.061
  326   2HB   HIS  49          1HB       HIS  49  -5.558   6.072  -3.442
  327    HD1  HIS  49           1HD      HIS  49  -8.010   3.497  -1.945
  328    HD2  HIS  49           2HD      HIS  49  -6.954   5.213  -5.576
  329    HE1  HIS  49           1HE      HIS  49  -9.494   2.416  -3.735
  330    HE2  HIS  49           2HE      HIS  49  -8.835   3.463  -5.931
  331    H    VAL  50           H        VAL  50  -4.955   2.040  -1.510
  332    HA   VAL  50           HA       VAL  50  -4.211   1.375  -4.305
  333    HB   VAL  50           HB       VAL  50  -2.147   0.433  -3.878
  334   1HG1  VAL  50          1HG1      VAL  50  -2.038   2.819  -3.226
  335   2HG1  VAL  50          2HG1      VAL  50  -0.879   1.820  -2.356
  336   3HG1  VAL  50          3HG1      VAL  50  -2.349   2.351  -1.560
  337   1HG2  VAL  50          1HG2      VAL  50  -1.480  -0.301  -1.485
  338   2HG2  VAL  50          2HG2      VAL  50  -2.690  -1.277  -2.324
  339   3HG2  VAL  50          3HG2      VAL  50  -3.188  -0.116  -1.092
  340    H    TYR  51           H        TYR  51  -3.936  -1.185  -4.336
  341    HA   TYR  51           HA       TYR  51  -6.183  -2.341  -2.747
  342   1HB   TYR  51          2HB       TYR  51  -5.399  -2.681  -5.627
  343   2HB   TYR  51          1HB       TYR  51  -6.633  -3.633  -4.835
  344    HD1  TYR  51           1HD      TYR  51  -8.628  -2.334  -3.747
  345    HD2  TYR  51           2HD      TYR  51  -5.832  -0.537  -6.474
  346    HE1  TYR  51           1HE      TYR  51 -10.200  -0.475  -4.155
  347    HE2  TYR  51           2HE      TYR  51  -7.417   1.291  -6.853
  348    HH   TYR  51           HH       TYR  51 -10.641   1.190  -5.938
  349    H    VAL  52           H        VAL  52  -5.284  -3.656  -1.394
  350    HA   VAL  52           HA       VAL  52  -2.777  -5.131  -1.949
  351    HB   VAL  52           HB       VAL  52  -4.551  -5.273   0.500
  352   1HG1  VAL  52          1HG1      VAL  52  -2.421  -6.227   1.504
  353   2HG1  VAL  52          2HG1      VAL  52  -1.808  -6.359  -0.143
  354   3HG1  VAL  52          3HG1      VAL  52  -3.242  -7.265   0.333
  355   1HG2  VAL  52          1HG2      VAL  52  -1.866  -3.892   0.332
  356   2HG2  VAL  52          2HG2      VAL  52  -3.122  -3.707   1.554
  357   3HG2  VAL  52          3HG2      VAL  52  -3.352  -3.028  -0.055
  358    H    ASN  53           H        ASN  53  -2.761  -7.243  -2.625
  359    HA   ASN  53           HA       ASN  53  -5.077  -8.520  -3.574
  360   1HB   ASN  53          2HB       ASN  53  -3.706 -10.693  -3.194
  361   2HB   ASN  53          1HB       ASN  53  -3.083  -9.498  -4.319
  362   1HD2  ASN  53          1HD2      ASN  53  -1.359 -11.363  -3.056
  363   2HD2  ASN  53          2HD2      ASN  53  -0.345 -10.534  -1.976
  364    H    GLU  54           H        GLU  54  -6.809  -9.228  -2.491
  365    HA   GLU  54           HA       GLU  54  -7.239  -9.080   0.225
  366   1HB   GLU  54          2HB       GLU  54  -9.142 -10.592  -0.069
  367   2HB   GLU  54          1HB       GLU  54  -9.025  -9.464  -1.422
  368   1HG   GLU  54          2HG       GLU  54  -7.768 -11.223  -2.698
  369   2HG   GLU  54          1HG       GLU  54  -8.095 -12.348  -1.384
  370    H    ALA  55           H        ALA  55  -4.957 -11.131  -1.030
  371    HA   ALA  55           HA       ALA  55  -5.450 -13.362   0.823
  372   1HB   ALA  55          1HB       ALA  55  -3.313 -12.789  -1.236
  373   2HB   ALA  55          2HB       ALA  55  -4.581 -14.015  -1.296
  374   3HB   ALA  55          3HB       ALA  55  -3.243 -14.184  -0.153
  375    H    PHE  56           H        PHE  56  -3.729 -10.300   0.993
  376    HA   PHE  56           HA       PHE  56  -2.117 -11.334   3.300
  377   1HB   PHE  56          2HB       PHE  56  -1.651  -9.028   1.358
  378   2HB   PHE  56          1HB       PHE  56  -0.646  -9.364   2.766
  379    HD1  PHE  56           1HD      PHE  56  -2.009 -11.076  -0.289
  380    HD2  PHE  56           2HD      PHE  56   1.219 -10.752   2.504
  381    HE1  PHE  56           1HE      PHE  56  -0.737 -12.784  -1.556
  382    HE2  PHE  56           2HE      PHE  56   2.477 -12.466   1.270
  383    HZ   PHE  56           HZ       PHE  56   1.512 -13.482  -0.776
  384    H    THR  57           H        THR  57  -4.756  -9.559   2.333
  385    HA   THR  57           HA       THR  57  -4.651  -7.309   4.142
  386    HB   THR  57           HB       THR  57  -7.183  -7.288   3.727
  387    HG1  THR  57           1HG      THR  57  -7.921  -9.068   2.944
  388   1HG2  THR  57          1HG2      THR  57  -6.908  -6.512   1.444
  389   2HG2  THR  57          2HG2      THR  57  -5.376  -7.377   1.297
  390   3HG2  THR  57          3HG2      THR  57  -5.522  -6.012   2.401
  391    H    ASP  58           H        ASP  58  -6.040 -10.578   4.389
  392    HA   ASP  58           HA       ASP  58  -7.077  -9.968   7.087
  393   1HB   ASP  58          2HB       ASP  58  -8.138 -12.142   6.952
  394   2HB   ASP  58          1HB       ASP  58  -8.379 -11.329   5.401
  395    H    LYS  59           H        LYS  59  -4.127 -10.453   6.093
  396    HA   LYS  59           HA       LYS  59  -3.396 -12.355   8.306
  397   1HB   LYS  59          2HB       LYS  59  -1.667 -11.692   5.938
  398   2HB   LYS  59          1HB       LYS  59  -1.635 -13.130   6.964
  399   1HG   LYS  59          2HG       LYS  59  -4.068 -13.519   6.043
  400   2HG   LYS  59          1HG       LYS  59  -3.594 -12.385   4.770
  401   1HD   LYS  59          2HD       LYS  59  -1.901 -13.833   3.957
  402   2HD   LYS  59          1HD       LYS  59  -1.870 -14.790   5.440
  403   1HE   LYS  59          2HE       LYS  59  -4.399 -14.671   3.805
  404   2HE   LYS  59          1HE       LYS  59  -3.089 -15.744   3.319
  405   1HZ   LYS  59          1HZ       LYS  59  -3.223 -16.942   5.277
  406   2HZ   LYS  59          2HZ       LYS  59  -4.855 -16.638   4.915
  407   3HZ   LYS  59          3HZ       LYS  59  -4.061 -15.719   6.102
  408    H    VAL  60           H        VAL  60  -2.349  -9.511   6.476
  409    HA   VAL  60           HA       VAL  60  -0.335  -8.755   8.402
  410    HB   VAL  60           HB       VAL  60  -0.949  -8.127   5.792
  411   1HG1  VAL  60          1HG1      VAL  60  -2.715  -6.596   6.395
  412   2HG1  VAL  60          2HG1      VAL  60  -1.395  -5.751   5.598
  413   3HG1  VAL  60          3HG1      VAL  60  -1.597  -5.627   7.337
  414   1HG2  VAL  60          1HG2      VAL  60   1.247  -7.653   5.882
  415   2HG2  VAL  60          2HG2      VAL  60   1.182  -7.413   7.617
  416   3HG2  VAL  60          3HG2      VAL  60   0.843  -6.065   6.537
  417    HA   PRO  61           HA       PRO  61  -2.746  -6.788  11.461
  418   1HB   PRO  61          2HB       PRO  61  -1.823  -4.138  11.701
  419   2HB   PRO  61          1HB       PRO  61  -1.149  -5.562  12.516
  420   1HG   PRO  61          2HG       PRO  61  -0.135  -4.078  10.181
  421   2HG   PRO  61          1HG       PRO  61   0.733  -5.111  11.326
  422   1HD   PRO  61          2HD       PRO  61   0.067  -5.806   8.728
  423   2HD   PRO  61          1HD       PRO  61   0.511  -6.968   9.972
  424    H    ALA  62           H        ALA  62  -4.822  -6.543  11.037
  425    HA   ALA  62           HA       ALA  62  -6.151  -5.333   9.018
  426   1HB   ALA  62          1HB       ALA  62  -8.062  -5.060  10.661
  427   2HB   ALA  62          2HB       ALA  62  -6.948  -5.600  11.917
  428   3HB   ALA  62          3HB       ALA  62  -7.361  -6.677  10.587
  429    H    ALA  63           H        ALA  63  -6.855  -3.420   8.530
  430    HA   ALA  63           HA       ALA  63  -5.487  -1.069   9.459
  431   1HB   ALA  63          1HB       ALA  63  -6.206  -1.068   7.190
  432   2HB   ALA  63          2HB       ALA  63  -7.231   0.113   8.003
  433   3HB   ALA  63          3HB       ALA  63  -7.858  -1.492   7.640
  434    H    ASN  64           H        ASN  64  -6.074   0.435  10.881
  435    HA   ASN  64           HA       ASN  64  -8.290  -0.160  12.713
  436   1HB   ASN  64          2HB       ASN  64  -7.463   2.119  13.771
  437   2HB   ASN  64          1HB       ASN  64  -6.479   0.666  13.920
  438   1HD2  ASN  64          1HD2      ASN  64  -4.884   0.378  11.929
  439   2HD2  ASN  64          2HD2      ASN  64  -4.092   1.791  11.422
  440    H    GLU  65           H        GLU  65  -9.714   1.669  13.454
  441    HA   GLU  65           HA       GLU  65 -11.495   2.397  11.390
  442   1HB   GLU  65          2HB       GLU  65 -12.670   3.669  13.073
  443   2HB   GLU  65          1HB       GLU  65 -12.043   2.198  13.817
  444   1HG   GLU  65          2HG       GLU  65 -10.012   3.562  14.525
  445   2HG   GLU  65          1HG       GLU  65 -10.909   4.997  14.032
  446    H    ARG  66           H        ARG  66  -8.537   4.080  12.191
  447    HA   ARG  66           HA       ARG  66  -9.560   6.676  11.369
  448   1HB   ARG  66          2HB       ARG  66  -6.702   5.683  11.554
  449   2HB   ARG  66          1HB       ARG  66  -7.232   7.359  11.495
  450   1HG   ARG  66          2HG       ARG  66  -8.578   6.872  13.611
  451   2HG   ARG  66          1HG       ARG  66  -7.673   5.360  13.715
  452   1HD   ARG  66          2HD       ARG  66  -6.394   8.099  13.534
  453   2HD   ARG  66          1HD       ARG  66  -6.655   7.230  15.041
  454    HE   ARG  66           HE       ARG  66  -4.672   6.542  12.959
  455   1HH1  ARG  66          1HH2      ARG  66  -6.408   5.642  15.810
  456   2HH1  ARG  66          2HH2      ARG  66  -5.188   4.544  16.359
  457   1HH2  ARG  66          1HH1      ARG  66  -3.078   5.115  13.672
  458   2HH2  ARG  66          2HH1      ARG  66  -3.297   4.239  15.145
  459    H    GLU  67           H        GLU  67  -7.750   4.044   9.849
  460    HA   GLU  67           HA       GLU  67  -7.216   5.359   7.376
  461   1HB   GLU  67          2HB       GLU  67  -7.486   2.429   8.063
  462   2HB   GLU  67          1HB       GLU  67  -6.869   3.042   6.525
  463   1HG   GLU  67          2HG       GLU  67  -4.938   2.624   7.862
  464   2HG   GLU  67          1HG       GLU  67  -5.168   4.369   7.906
  465    H    ILE  68           H        ILE  68  -9.869   3.315   8.514
  466    HA   ILE  68           HA       ILE  68 -11.295   2.959   6.110
  467    HB   ILE  68           HB       ILE  68 -12.059   3.143   9.014
  468   1HG1  ILE  68          2HG1      ILE  68 -12.660   0.835   8.728
  469   2HG1  ILE  68          1HG1      ILE  68 -12.599   0.975   6.965
  470   1HG2  ILE  68          1HG2      ILE  68 -13.985   4.200   8.097
  471   2HG2  ILE  68          2HG2      ILE  68 -14.434   2.505   8.282
  472   3HG2  ILE  68          3HG2      ILE  68 -13.998   3.136   6.695
  473   1HD1  ILE  68          1HD1      ILE  68 -10.577  -0.110   8.207
  474   2HD1  ILE  68          2HD1      ILE  68 -10.153   1.543   8.625
  475   3HD1  ILE  68          3HD1      ILE  68 -10.247   1.065   6.933
  476    H    GLY  69           H        GLY  69 -11.198   5.748   8.286
  477   1HA   GLY  69          2HA       GLY  69 -13.279   7.200   6.908
  478   2HA   GLY  69          1HA       GLY  69 -12.126   7.906   8.021
  479    H    MET  70           H        MET  70  -9.772   6.957   6.394
  480    HA   MET  70           HA       MET  70  -9.793   9.201   4.493
  481   1HB   MET  70          2HB       MET  70  -7.551   7.206   4.485
  482   2HB   MET  70          1HB       MET  70  -7.485   8.965   4.393
  483   1HG   MET  70          2HG       MET  70  -8.103   7.345   6.871
  484   2HG   MET  70          1HG       MET  70  -6.586   8.160   6.533
  485   1HE   MET  70          1HE       MET  70  -7.474   8.377   8.941
  486   2HE   MET  70          2HE       MET  70  -9.120   8.940   9.247
  487   3HE   MET  70          3HE       MET  70  -7.773  10.056   9.423
  488    H    LEU  71           H        LEU  71  -9.940   5.697   4.474
  489    HA   LEU  71           HA       LEU  71  -9.594   5.231   1.691
  490   1HB   LEU  71          2HB       LEU  71 -10.948   3.790   3.945
  491   2HB   LEU  71          1HB       LEU  71 -11.230   3.218   2.312
  492    HG   LEU  71           HG       LEU  71  -8.404   3.730   3.237
  493   1HD1  LEU  71          1HD1      LEU  71  -9.223   2.298   4.982
  494   2HD1  LEU  71          2HD1      LEU  71  -8.343   1.266   3.853
  495   3HD1  LEU  71          3HD1      LEU  71 -10.106   1.298   3.831
  496   1HD2  LEU  71          1HD2      LEU  71  -9.687   1.802   1.283
  497   2HD2  LEU  71          2HD2      LEU  71  -7.963   1.866   1.624
  498   3HD2  LEU  71          3HD2      LEU  71  -8.763   3.237   0.854
  499    H    GLU  72           H        GLU  72 -12.398   6.300   3.558
  500    HA   GLU  72           HA       GLU  72 -14.251   6.043   1.321
  501   1HB   GLU  72          2HB       GLU  72 -15.138   5.875   3.559
  502   2HB   GLU  72          1HB       GLU  72 -14.366   7.384   4.051
  503   1HG   GLU  72          2HG       GLU  72 -16.844   7.571   3.583
  504   2HG   GLU  72          1HG       GLU  72 -15.847   8.674   2.633
  505    H    CYS  73           H        CYS  73 -11.814   8.168   2.185
  506    HA   CYS  73           HA       CYS  73 -13.035  10.503   0.772
  507   1HB   CYS  73          2HB       CYS  73 -11.320  10.228   3.056
  508   2HB   CYS  73          1HB       CYS  73 -10.420  11.116   1.830
  509    HG   CYS  73           HG       CYS  73 -12.973  12.105   3.262
  510    H    VAL  74           H        VAL  74 -11.521   7.870  -0.334
  511    HA   VAL  74           HA       VAL  74  -9.277   9.038  -1.755
  512    HB   VAL  74           HB       VAL  74  -9.139   6.860  -2.822
  513   1HG1  VAL  74          1HG1      VAL  74  -9.815   6.863   0.118
  514   2HG1  VAL  74          2HG1      VAL  74  -8.226   6.829  -0.619
  515   3HG1  VAL  74          3HG1      VAL  74  -9.259   5.409  -0.695
  516   1HG2  VAL  74          1HG2      VAL  74 -11.478   6.445  -3.303
  517   2HG2  VAL  74          2HG2      VAL  74 -11.873   6.467  -1.578
  518   3HG2  VAL  74          3HG2      VAL  74 -10.895   5.175  -2.246
  519    H    THR  75           H        THR  75  -9.202   8.919  -4.198
  520    HA   THR  75           HA       THR  75 -11.664  10.141  -5.304
  521    HB   THR  75           HB       THR  75  -8.994   9.785  -6.692
  522    HG1  THR  75           1HG      THR  75  -9.967  11.804  -4.956
  523   1HG2  THR  75          1HG2      THR  75 -10.844  10.381  -8.154
  524   2HG2  THR  75          2HG2      THR  75  -9.812  11.791  -7.925
  525   3HG2  THR  75          3HG2      THR  75 -11.341  11.668  -7.058
  526    H    ALA  76           H        ALA  76 -10.009   7.009  -5.496
  527    HA   ALA  76           HA       ALA  76 -11.494   6.391  -8.004
  528   1HB   ALA  76          1HB       ALA  76  -9.050   5.377  -6.658
  529   2HB   ALA  76          2HB       ALA  76  -9.396   5.536  -8.374
  530   3HB   ALA  76          3HB       ALA  76 -10.024   4.155  -7.474
  531    H    GLU  77           H        GLU  77 -12.136   3.844  -7.881
  532    HA   GLU  77           HA       GLU  77 -14.351   3.727  -6.076
  533   1HB   GLU  77          2HB       GLU  77 -15.025   2.499  -7.857
  534   2HB   GLU  77          1HB       GLU  77 -13.380   2.453  -8.454
  535   1HG   GLU  77          2HG       GLU  77 -14.249   0.189  -8.212
  536   2HG   GLU  77          1HG       GLU  77 -12.955   0.433  -7.046
  537    H    LEU  78           H        LEU  78 -14.470   2.754  -4.061
  538    HA   LEU  78           HA       LEU  78 -12.032   1.427  -3.038
  539   1HB   LEU  78          2HB       LEU  78 -13.802   3.016  -1.742
  540   2HB   LEU  78          1HB       LEU  78 -14.520   1.451  -1.363
  541    HG   LEU  78           HG       LEU  78 -12.131   0.713  -0.709
  542   1HD1  LEU  78          1HD1      LEU  78 -11.307   3.424  -0.016
  543   2HD1  LEU  78          2HD1      LEU  78 -11.474   3.209  -1.747
  544   3HD1  LEU  78          3HD1      LEU  78 -10.420   2.153  -0.841
  545   1HD2  LEU  78          1HD2      LEU  78 -14.059   1.387   0.870
  546   2HD2  LEU  78          2HD2      LEU  78 -13.189   2.910   1.060
  547   3HD2  LEU  78          3HD2      LEU  78 -12.423   1.391   1.517
  548    H    LYS  79           H        LYS  79 -11.866  -0.561  -2.262
  549    HA   LYS  79           HA       LYS  79 -13.701  -2.585  -3.457
  550   1HB   LYS  79          2HB       LYS  79 -10.776  -2.337  -2.880
  551   2HB   LYS  79          1HB       LYS  79 -11.463  -3.955  -3.000
  552   1HG   LYS  79          2HG       LYS  79 -11.899  -1.878  -5.148
  553   2HG   LYS  79          1HG       LYS  79 -10.466  -2.890  -5.134
  554   1HD   LYS  79          2HD       LYS  79 -12.021  -4.908  -5.034
  555   2HD   LYS  79          1HD       LYS  79 -13.343  -3.793  -5.378
  556   1HE   LYS  79          2HE       LYS  79 -12.458  -4.844  -7.447
  557   2HE   LYS  79          1HE       LYS  79 -12.255  -3.092  -7.455
  558   1HZ   LYS  79          1HZ       LYS  79 -10.031  -4.331  -6.223
  559   2HZ   LYS  79          2HZ       LYS  79 -10.074  -3.330  -7.595
  560   3HZ   LYS  79          3HZ       LYS  79 -10.285  -5.008  -7.753
  561    HA   PRO  80           HA       PRO  80 -14.703  -4.109   0.589
  562   1HB   PRO  80          2HB       PRO  80 -14.284  -6.862   0.256
  563   2HB   PRO  80          1HB       PRO  80 -15.761  -5.999  -0.209
  564   1HG   PRO  80          2HG       PRO  80 -13.436  -6.822  -1.895
  565   2HG   PRO  80          1HG       PRO  80 -15.168  -6.833  -2.278
  566   1HD   PRO  80          2HD       PRO  80 -13.543  -4.907  -3.235
  567   2HD   PRO  80          1HD       PRO  80 -15.213  -4.542  -2.756
  568    H    ASN  81           H        ASN  81 -11.766  -5.299  -0.958
  569    HA   ASN  81           HA       ASN  81 -10.403  -5.415   1.703
  570   1HB   ASN  81          2HB       ASN  81  -9.127  -7.194   0.966
  571   2HB   ASN  81          1HB       ASN  81 -10.564  -7.463  -0.008
  572   1HD2  ASN  81          1HD2      ASN  81  -9.995  -5.228  -1.891
  573   2HD2  ASN  81          2HD2      ASN  81  -8.670  -5.731  -2.827
  574    H    SER  82           H        SER  82 -10.849  -2.933   0.041
  575    HA   SER  82           HA       SER  82  -8.328  -2.186  -1.161
  576   1HB   SER  82          2HB       SER  82 -10.908  -1.104  -0.880
  577   2HB   SER  82          1HB       SER  82  -9.814   0.046  -0.123
  578    HG   SER  82           HG       SER  82  -8.624   0.111  -1.978
  579    H    ARG  83           H        ARG  83  -6.652  -1.023  -0.192
  580    HA   ARG  83           HA       ARG  83  -6.859  -0.442   2.727
  581   1HB   ARG  83          2HB       ARG  83  -5.023  -2.417   1.420
  582   2HB   ARG  83          1HB       ARG  83  -4.454  -1.556   2.842
  583   1HG   ARG  83          2HG       ARG  83  -7.109  -2.983   2.840
  584   2HG   ARG  83          1HG       ARG  83  -5.620  -3.842   3.167
  585   1HD   ARG  83          2HD       ARG  83  -5.133  -2.168   4.982
  586   2HD   ARG  83          1HD       ARG  83  -6.745  -1.508   4.735
  587    HE   ARG  83           HE       ARG  83  -7.678  -3.498   5.632
  588   1HH1  ARG  83          1HH2      ARG  83  -4.262  -3.645   5.223
  589   2HH1  ARG  83          2HH2      ARG  83  -4.081  -5.088   6.154
  590   1HH2  ARG  83          1HH1      ARG  83  -7.463  -5.411   6.809
  591   2HH2  ARG  83          2HH1      ARG  83  -5.888  -6.090   7.059
  592    H    LEU  84           H        LEU  84  -4.938   0.721   3.515
  593    HA   LEU  84           HA       LEU  84  -4.017   2.678   1.469
  594   1HB   LEU  84          2HB       LEU  84  -3.767   2.708   4.498
  595   2HB   LEU  84          1HB       LEU  84  -3.349   4.029   3.414
  596    HG   LEU  84           HG       LEU  84  -6.114   2.833   3.784
  597   1HD1  LEU  84          1HD1      LEU  84  -5.198   5.644   4.405
  598   2HD1  LEU  84          2HD1      LEU  84  -5.136   4.348   5.604
  599   3HD1  LEU  84          3HD1      LEU  84  -6.684   4.842   4.920
  600   1HD2  LEU  84          1HD2      LEU  84  -6.652   5.024   2.387
  601   2HD2  LEU  84          2HD2      LEU  84  -6.164   3.551   1.554
  602   3HD2  LEU  84          3HD2      LEU  84  -4.989   4.837   1.832
  603    H    CYS  85           H        CYS  85  -1.684   3.274   1.572
  604    HA   CYS  85           HA       CYS  85  -0.050   0.808   1.754
  605   1HB   CYS  85          2HB       CYS  85  -0.249   2.475  -0.248
  606   2HB   CYS  85          1HB       CYS  85   0.921   3.427   0.647
  607    HG   CYS  85           HG       CYS  85   1.449   0.632  -0.587
  608    H    CYS  86           H        CYS  86  -0.338   3.924   3.368
  609    HA   CYS  86           HA       CYS  86   2.351   3.701   4.547
  610   1HB   CYS  86          2HB       CYS  86   1.847   5.817   5.636
  611   2HB   CYS  86          1HB       CYS  86   1.394   5.906   3.930
  612    H    GLN  87           H        GLN  87  -0.733   2.454   5.379
  613    HA   GLN  87           HA       GLN  87   0.064   2.256   8.275
  614   1HB   GLN  87          2HB       GLN  87  -2.240   3.238   7.457
  615   2HB   GLN  87          1HB       GLN  87  -2.680   1.544   7.250
  616   1HG   GLN  87          2HG       GLN  87  -3.344   2.072   9.475
  617   2HG   GLN  87          1HG       GLN  87  -1.825   1.198   9.654
  618   1HE2  GLN  87          1HE2      GLN  87  -0.902   4.086   8.346
  619   2HE2  GLN  87          2HE2      GLN  87  -0.606   4.967   9.765
  620    H    ILE  88           H        ILE  88   0.663   0.567   5.719
  621    HA   ILE  88           HA       ILE  88  -0.184  -2.108   6.792
  622    HB   ILE  88           HB       ILE  88   0.781  -1.243   4.063
  623   1HG1  ILE  88          2HG1      ILE  88  -1.606  -0.789   4.796
  624   2HG1  ILE  88          1HG1      ILE  88  -1.434  -1.746   3.332
  625   1HG2  ILE  88          1HG2      ILE  88   0.350  -3.997   5.207
  626   2HG2  ILE  88          2HG2      ILE  88   1.727  -3.394   4.287
  627   3HG2  ILE  88          3HG2      ILE  88   0.189  -3.689   3.479
  628   1HD1  ILE  88          1HD1      ILE  88  -2.920  -2.414   5.613
  629   2HD1  ILE  88          2HD1      ILE  88  -1.531  -3.481   5.680
  630   3HD1  ILE  88          3HD1      ILE  88  -2.563  -3.466   4.255
  631    H    ILE  89           H        ILE  89   1.273  -3.283   7.867
  632    HA   ILE  89           HA       ILE  89   4.164  -2.599   7.677
  633    HB   ILE  89           HB       ILE  89   2.389  -3.827   9.770
  634   1HG1  ILE  89          2HG1      ILE  89   3.521  -2.258  11.228
  635   2HG1  ILE  89          1HG1      ILE  89   4.734  -1.919   9.996
  636   1HG2  ILE  89          1HG2      ILE  89   4.040  -5.553   9.706
  637   2HG2  ILE  89          2HG2      ILE  89   4.514  -4.496  11.030
  638   3HG2  ILE  89          3HG2      ILE  89   5.355  -4.396   9.484
  639   1HD1  ILE  89          1HD1      ILE  89   1.814  -1.450   9.410
  640   2HD1  ILE  89          2HD1      ILE  89   3.225  -0.709   8.659
  641   3HD1  ILE  89          3HD1      ILE  89   2.752  -0.246  10.291
  642    H    MET  90           H        MET  90   5.340  -3.826   6.383
  643    HA   MET  90           HA       MET  90   4.458  -6.370   5.364
  644   1HB   MET  90          2HB       MET  90   6.001  -4.746   4.189
  645   2HB   MET  90          1HB       MET  90   7.272  -5.292   5.290
  646   1HG   MET  90          2HG       MET  90   7.440  -6.611   3.290
  647   2HG   MET  90          1HG       MET  90   6.782  -7.643   4.548
  648   1HE   MET  90          1HE       MET  90   5.398  -9.317   3.789
  649   2HE   MET  90          2HE       MET  90   3.862  -9.134   2.959
  650   3HE   MET  90          3HE       MET  90   4.052  -8.470   4.569
  651    H    THR  91           H        THR  91   5.441  -8.447   5.760
  652    HA   THR  91           HA       THR  91   7.182  -8.708   8.147
  653    HB   THR  91           HB       THR  91   5.744 -10.110   9.341
  654    HG1  THR  91           1HG      THR  91   3.862 -11.024   8.154
  655   1HG2  THR  91          1HG2      THR  91   3.582  -9.074   9.449
  656   2HG2  THR  91          2HG2      THR  91   3.726  -8.477   7.798
  657   3HG2  THR  91          3HG2      THR  91   4.750  -7.809   9.069
  658    HA   PRO  92           HA       PRO  92   9.140 -11.718   5.532
  659   1HB   PRO  92          2HB       PRO  92   9.836 -13.624   7.476
  660   2HB   PRO  92          1HB       PRO  92  10.807 -12.212   7.026
  661   1HG   PRO  92          2HG       PRO  92   9.001 -12.615   9.356
  662   2HG   PRO  92          1HG       PRO  92  10.493 -11.663   9.225
  663   1HD   PRO  92          2HD       PRO  92   8.031 -10.515   9.263
  664   2HD   PRO  92          1HD       PRO  92   9.397  -9.808   8.371
  665    H    GLU  93           H        GLU  93   6.972 -13.047   8.028
  666    HA   GLU  93           HA       GLU  93   6.413 -15.497   6.686
  667   1HB   GLU  93          2HB       GLU  93   4.272 -15.482   8.013
  668   2HB   GLU  93          1HB       GLU  93   5.722 -15.223   8.981
  669   1HG   GLU  93          2HG       GLU  93   5.336 -12.789   8.914
  670   2HG   GLU  93          1HG       GLU  93   3.880 -13.049   7.956
  671    H    LEU  94           H        LEU  94   5.003 -12.278   6.332
  672    HA   LEU  94           HA       LEU  94   3.087 -13.302   4.329
  673   1HB   LEU  94          2HB       LEU  94   3.456 -10.720   5.783
  674   2HB   LEU  94          1HB       LEU  94   2.643 -10.628   4.247
  675    HG   LEU  94           HG       LEU  94   1.821 -12.609   6.383
  676   1HD1  LEU  94          1HD1      LEU  94   0.192 -11.081   7.198
  677   2HD1  LEU  94          2HD1      LEU  94   0.478  -9.953   5.879
  678   3HD1  LEU  94          3HD1      LEU  94   1.693 -10.159   7.137
  679   1HD2  LEU  94          1HD2      LEU  94   1.106 -12.641   3.789
  680   2HD2  LEU  94          2HD2      LEU  94  -0.036 -11.428   4.340
  681   3HD2  LEU  94          3HD2      LEU  94  -0.033 -13.033   5.068
  682    H    ASP  95           H        ASP  95   6.165 -13.044   3.979
  683    HA   ASP  95           HA       ASP  95   6.750 -11.111   2.027
  684   1HB   ASP  95          2HB       ASP  95   8.510 -12.673   1.257
  685   2HB   ASP  95          1HB       ASP  95   8.435 -12.624   3.023
  686    H    GLY  96           H        GLY  96   6.377 -10.980  -0.203
  687   1HA   GLY  96          2HA       GLY  96   5.869 -11.991  -2.364
  688   2HA   GLY  96          1HA       GLY  96   4.890 -13.197  -1.536
  689    H    ILE  97           H        ILE  97   4.225 -10.377  -0.002
  690    HA   ILE  97           HA       ILE  97   1.553 -10.263  -0.817
  691    HB   ILE  97           HB       ILE  97   2.345  -9.142   1.190
  692   1HG1  ILE  97          2HG1      ILE  97   1.076  -7.129  -0.674
  693   2HG1  ILE  97          1HG1      ILE  97   0.199  -8.474   0.045
  694   1HG2  ILE  97          1HG2      ILE  97   4.434  -8.168   0.417
  695   2HG2  ILE  97          2HG2      ILE  97   3.376  -6.860   0.952
  696   3HG2  ILE  97          3HG2      ILE  97   3.587  -7.177  -0.753
  697   1HD1  ILE  97          1HD1      ILE  97   1.647  -6.266   1.537
  698   2HD1  ILE  97          2HD1      ILE  97   0.867  -7.649   2.302
  699   3HD1  ILE  97          3HD1      ILE  97  -0.098  -6.468   1.422
  700    H    VAL  98           H        VAL  98   0.374  -9.426  -2.441
  701    HA   VAL  98           HA       VAL  98   1.852  -7.930  -4.591
  702    HB   VAL  98           HB       VAL  98  -0.862  -9.233  -4.825
  703   1HG1  VAL  98          1HG1      VAL  98  -0.215  -9.324  -7.224
  704   2HG1  VAL  98          2HG1      VAL  98   1.312  -8.532  -6.828
  705   3HG1  VAL  98          3HG1      VAL  98  -0.212  -7.670  -6.605
  706   1HG2  VAL  98          1HG2      VAL  98   0.432 -11.173  -5.833
  707   2HG2  VAL  98          2HG2      VAL  98   0.600 -11.002  -4.085
  708   3HG2  VAL  98          3HG2      VAL  98   1.892 -10.455  -5.160
  709    H    VAL  99           H        VAL  99   1.466  -5.754  -4.652
  710    HA   VAL  99           HA       VAL  99  -1.076  -4.704  -3.453
  711    HB   VAL  99           HB       VAL  99   1.366  -3.066  -4.143
  712   1HG1  VAL  99          1HG1      VAL  99   0.517  -1.720  -2.223
  713   2HG1  VAL  99          2HG1      VAL  99  -0.813  -2.864  -2.035
  714   3HG1  VAL  99          3HG1      VAL  99  -0.688  -1.889  -3.498
  715   1HG2  VAL  99          1HG2      VAL  99   0.982  -4.900  -1.775
  716   2HG2  VAL  99          2HG2      VAL  99   1.982  -3.452  -1.660
  717   3HG2  VAL  99          3HG2      VAL  99   2.398  -4.714  -2.807
  718    H    ASP 100           H        ASP 100  -2.489  -3.824  -4.822
  719    HA   ASP 100           HA       ASP 100  -1.683  -3.235  -7.632
  720   1HB   ASP 100          2HB       ASP 100  -4.104  -4.301  -6.320
  721   2HB   ASP 100          1HB       ASP 100  -4.420  -3.175  -7.641
  722    H    VAL 101           H        VAL 101  -1.409  -1.214  -8.186
  723    HA   VAL 101           HA       VAL 101  -2.624   0.956  -6.537
  724    HB   VAL 101           HB       VAL 101  -0.371   1.221  -8.530
  725   1HG1  VAL 101          1HG1      VAL 101   0.140   3.222  -7.191
  726   2HG1  VAL 101          2HG1      VAL 101  -1.222   2.866  -6.125
  727   3HG1  VAL 101          3HG1      VAL 101  -1.508   3.296  -7.814
  728   1HG2  VAL 101          1HG2      VAL 101  -0.341   0.412  -5.619
  729   2HG2  VAL 101          2HG2      VAL 101   1.056   1.163  -6.392
  730   3HG2  VAL 101          3HG2      VAL 101   0.449  -0.382  -6.978
  731    HA   PRO 102           HA       PRO 102  -5.085   1.708 -10.280
  732   1HB   PRO 102          2HB       PRO 102  -6.587   3.764  -9.405
  733   2HB   PRO 102          1HB       PRO 102  -6.766   2.145  -8.719
  734   1HG   PRO 102          2HG       PRO 102  -5.251   4.476  -7.638
  735   2HG   PRO 102          1HG       PRO 102  -6.362   3.374  -6.810
  736   1HD   PRO 102          2HD       PRO 102  -3.631   3.094  -6.701
  737   2HD   PRO 102          1HD       PRO 102  -4.767   1.733  -6.542
  738    H    ASP 103           H        ASP 103  -5.913   3.893 -11.354
  739    HA   ASP 103           HA       ASP 103  -3.504   5.378 -12.206
  740   1HB   ASP 103          2HB       ASP 103  -6.375   5.645 -13.153
  741   2HB   ASP 103          1HB       ASP 103  -4.939   6.284 -13.953
  742    H    ARG 104           H        ARG 104  -6.136   5.691 -10.044
  743    HA   ARG 104           HA       ARG 104  -5.523   8.599  -9.623
  744   1HB   ARG 104          2HB       ARG 104  -8.202   7.486  -8.803
  745   2HB   ARG 104          1HB       ARG 104  -7.770   9.114  -9.308
  746   1HG   ARG 104          2HG       ARG 104  -7.345   7.464 -11.604
  747   2HG   ARG 104          1HG       ARG 104  -8.871   6.928 -10.912
  748   1HD   ARG 104          2HD       ARG 104  -9.470   8.670 -12.396
  749   2HD   ARG 104          1HD       ARG 104  -9.462   9.459 -10.816
  750    HE   ARG 104           HE       ARG 104  -6.851   9.675 -11.857
  751   1HH1  ARG 104          1HH2      ARG 104 -10.073  10.718 -12.503
  752   2HH1  ARG 104          2HH2      ARG 104  -9.588  12.138 -13.371
  753   1HH2  ARG 104          1HH1      ARG 104  -6.190  11.499 -13.017
  754   2HH2  ARG 104          2HH1      ARG 104  -7.375  12.583 -13.666
  755    H    GLN 105           H        GLN 105  -4.417   8.689  -7.658
  756    HA   GLN 105           HA       GLN 105  -5.172   6.671  -5.579
  757   1HB   GLN 105          2HB       GLN 105  -2.929   7.052  -4.668
  758   2HB   GLN 105          1HB       GLN 105  -2.800   6.640  -6.373
  759   1HG   GLN 105          2HG       GLN 105  -2.841   9.181  -6.815
  760   2HG   GLN 105          1HG       GLN 105  -2.533   9.361  -5.085
  761   1HE2  GLN 105          1HE2      GLN 105  -1.229   7.489  -7.892
  762   2HE2  GLN 105          2HE2      GLN 105   0.394   7.627  -7.411
  763    H    TRP 106           H        TRP 106  -5.461   9.874  -6.516
  764    HA   TRP 106           HA       TRP 106  -5.166  11.308  -4.055
  765   1HB   TRP 106          2HB       TRP 106  -5.441  12.325  -6.363
  766   2HB   TRP 106          1HB       TRP 106  -7.159  11.957  -6.248
  767    HD1  TRP 106           HD       TRP 106  -8.643  13.528  -4.771
  768    HE1  TRP 106           1HE      TRP 106  -8.169  15.671  -3.412
  769    HE3  TRP 106           3HE      TRP 106  -3.542  13.546  -4.882
  770    HZ2  TRP 106           2HZ      TRP 106  -5.936  17.186  -2.499
  771    HZ3  TRP 106           3HZ      TRP 106  -2.267  15.354  -3.762
  772    HH2  TRP 106           HH       TRP 106  -3.456  17.171  -2.576
  Start of MODEL   14
    1   1H    SER   1          1HT       SER   1  11.125  -9.031   4.497
    2   2H    SER   1          2HT       SER   1  10.648  -7.675   3.596
    3   3H    SER   1          3HT       SER   1  11.822  -8.739   2.977
    4    HA   SER   1           HA       SER   1  10.129 -10.527   2.960
    5   1HB   SER   1          2HB       SER   1   7.948  -8.511   3.053
    6   2HB   SER   1          1HB       SER   1   7.993 -10.140   3.708
    7    HG   SER   1           HG       SER   1   9.161  -7.797   4.790
    8    H    LYS   2           H        LYS   2   8.773 -10.731   0.919
    9    HA   LYS   2           HA       LYS   2   9.882  -8.964  -1.155
   10   1HB   LYS   2          2HB       LYS   2   8.465 -11.595  -0.999
   11   2HB   LYS   2          1HB       LYS   2   8.223 -10.670  -2.475
   12   1HG   LYS   2          2HG       LYS   2  11.009 -11.085  -1.382
   13   2HG   LYS   2          1HG       LYS   2  10.238 -12.358  -2.322
   14   1HD   LYS   2          2HD       LYS   2  10.244  -9.550  -3.416
   15   2HD   LYS   2          1HD       LYS   2  11.714 -10.516  -3.531
   16   1HE   LYS   2          2HE       LYS   2  10.688 -12.142  -4.891
   17   2HE   LYS   2          1HE       LYS   2   9.062 -11.643  -4.428
   18   1HZ   LYS   2          1HZ       LYS   2   9.407  -9.560  -5.582
   19   2HZ   LYS   2          2HZ       LYS   2   9.618 -10.869  -6.637
   20   3HZ   LYS   2          3HZ       LYS   2  10.969 -10.035  -6.035
   21    H    VAL   3           H        VAL   3   8.763  -7.114  -1.684
   22    HA   VAL   3           HA       VAL   3   5.793  -7.095  -1.283
   23    HB   VAL   3           HB       VAL   3   7.865  -4.894  -1.183
   24   1HG1  VAL   3          1HG1      VAL   3   4.901  -4.567  -0.687
   25   2HG1  VAL   3          2HG1      VAL   3   5.640  -4.205  -2.241
   26   3HG1  VAL   3          3HG1      VAL   3   6.131  -3.316  -0.816
   27   1HG2  VAL   3          1HG2      VAL   3   6.133  -6.277   0.858
   28   2HG2  VAL   3          2HG2      VAL   3   6.799  -4.682   1.163
   29   3HG2  VAL   3          3HG2      VAL   3   7.876  -6.048   0.880
   30    H    VAL   4           H        VAL   4   4.692  -7.109  -3.177
   31    HA   VAL   4           HA       VAL   4   6.133  -6.165  -5.650
   32    HB   VAL   4           HB       VAL   4   4.008  -8.210  -5.154
   33   1HG1  VAL   4          1HG1      VAL   4   3.054  -7.048  -7.004
   34   2HG1  VAL   4          2HG1      VAL   4   3.916  -8.411  -7.709
   35   3HG1  VAL   4          3HG1      VAL   4   4.632  -6.800  -7.745
   36   1HG2  VAL   4          1HG2      VAL   4   6.551  -8.667  -5.179
   37   2HG2  VAL   4          2HG2      VAL   4   6.427  -8.434  -6.924
   38   3HG2  VAL   4          3HG2      VAL   4   5.516  -9.721  -6.144
   39    H    TYR   5           H        TYR   5   5.401  -4.460  -6.630
   40    HA   TYR   5           HA       TYR   5   2.761  -3.260  -5.905
   41   1HB   TYR   5          2HB       TYR   5   5.211  -1.925  -7.102
   42   2HB   TYR   5          1HB       TYR   5   3.686  -1.122  -6.740
   43    HD1  TYR   5           1HD      TYR   5   6.638  -2.803  -5.280
   44    HD2  TYR   5           2HD      TYR   5   3.076  -0.547  -4.462
   45    HE1  TYR   5           1HE      TYR   5   7.407  -2.423  -2.953
   46    HE2  TYR   5           2HE      TYR   5   3.857  -0.150  -2.143
   47    HH   TYR   5           HH       TYR   5   6.925  -0.505  -1.142
   48    H    VAL   6           H        VAL   6   1.256  -3.632  -7.478
   49    HA   VAL   6           HA       VAL   6   2.208  -4.046 -10.295
   50    HB   VAL   6           HB       VAL   6  -0.580  -4.513  -9.201
   51   1HG1  VAL   6          1HG1      VAL   6  -0.046  -4.211 -11.737
   52   2HG1  VAL   6          2HG1      VAL   6  -1.017  -5.596 -11.241
   53   3HG1  VAL   6          3HG1      VAL   6   0.695  -5.808 -11.605
   54   1HG2  VAL   6          1HG2      VAL   6   0.114  -6.943  -9.233
   55   2HG2  VAL   6          2HG2      VAL   6   0.908  -5.985  -7.981
   56   3HG2  VAL   6          3HG2      VAL   6   1.775  -6.398  -9.466
   57    H    SER   7           H        SER   7   2.319  -2.170 -11.284
   58    HA   SER   7           HA       SER   7   0.886   0.171 -10.417
   59   1HB   SER   7          2HB       SER   7   2.053   1.330 -12.131
   60   2HB   SER   7          1HB       SER   7   3.164   0.084 -11.565
   61    HG   SER   7           HG       SER   7   2.858   0.297 -13.917
   62    H    HIS   8           H        HIS   8  -0.096   1.510 -12.316
   63    HA   HIS   8           HA       HIS   8  -2.536   0.107 -13.093
   64   1HB   HIS   8          2HB       HIS   8  -2.623   2.614 -14.353
   65   2HB   HIS   8          1HB       HIS   8  -3.276   2.251 -12.765
   66    HD1  HIS   8           1HD      HIS   8  -0.891   2.137 -10.973
   67    HD2  HIS   8           2HD      HIS   8  -1.164   4.925 -14.066
   68    HE1  HIS   8           1HE      HIS   8   0.664   4.046 -10.362
   69    HE2  HIS   8           2HE      HIS   8   0.509   5.743 -12.243
   70    H    ASP   9           H        ASP   9   0.242   1.591 -14.731
   71    HA   ASP   9           HA       ASP   9  -0.601   0.932 -17.380
   72   1HB   ASP   9          2HB       ASP   9   2.019   1.043 -17.772
   73   2HB   ASP   9          1HB       ASP   9   1.124   2.506 -17.358
   74    H    GLY  10           H        GLY  10   0.193  -1.140 -14.854
   75   1HA   GLY  10          2HA       GLY  10   0.081  -3.530 -15.092
   76   2HA   GLY  10          1HA       GLY  10   0.579  -3.378 -16.769
   77    H    THR  11           H        THR  11   2.721  -1.406 -15.513
   78    HA   THR  11           HA       THR  11   4.845  -3.331 -15.557
   79    HB   THR  11           HB       THR  11   4.747  -0.622 -15.831
   80    HG1  THR  11           1HG      THR  11   7.093  -0.836 -15.717
   81   1HG2  THR  11          1HG2      THR  11   6.217  -1.076 -13.223
   82   2HG2  THR  11          2HG2      THR  11   4.617  -0.344 -13.325
   83   3HG2  THR  11          3HG2      THR  11   5.998   0.453 -14.076
   84    H    ARG  12           H        ARG  12   5.709  -4.528 -13.981
   85    HA   ARG  12           HA       ARG  12   4.642  -4.232 -11.190
   86   1HB   ARG  12          2HB       ARG  12   6.084  -6.661 -12.267
   87   2HB   ARG  12          1HB       ARG  12   4.989  -6.555 -10.891
   88   1HG   ARG  12          2HG       ARG  12   3.116  -6.079 -12.420
   89   2HG   ARG  12          1HG       ARG  12   4.204  -6.187 -13.800
   90   1HD   ARG  12          2HD       ARG  12   3.685  -8.408 -13.859
   91   2HD   ARG  12          1HD       ARG  12   4.641  -8.597 -12.385
   92    HE   ARG  12           HE       ARG  12   2.433  -7.990 -11.171
   93   1HH1  ARG  12          1HH2      ARG  12   2.638  -9.778 -14.134
   94   2HH1  ARG  12          2HH2      ARG  12   1.003 -10.333 -14.052
   95   1HH2  ARG  12          1HH1      ARG  12   0.333  -8.728 -11.046
   96   2HH2  ARG  12          2HH1      ARG  12  -0.306  -9.739 -12.298
   97    H    ARG  13           H        ARG  13   6.067  -3.933  -9.464
   98    HA   ARG  13           HA       ARG  13   8.992  -4.238  -9.955
   99   1HB   ARG  13          2HB       ARG  13   8.201  -1.765 -10.147
  100   2HB   ARG  13          1HB       ARG  13   7.922  -1.871  -8.407
  101   1HG   ARG  13          2HG       ARG  13  10.288  -2.679  -8.143
  102   2HG   ARG  13          1HG       ARG  13  10.540  -2.348  -9.858
  103   1HD   ARG  13          2HD       ARG  13   9.452  -0.153  -8.131
  104   2HD   ARG  13          1HD       ARG  13  11.165  -0.537  -8.014
  105    HE   ARG  13           HE       ARG  13  11.461   0.165 -10.292
  106   1HH1  ARG  13          1HH2      ARG  13   8.168   0.350  -9.183
  107   2HH1  ARG  13          2HH2      ARG  13   7.648   1.318 -10.514
  108   1HH2  ARG  13          1HH1      ARG  13  10.779   1.441 -12.015
  109   2HH2  ARG  13          2HH1      ARG  13   9.119   1.930 -12.124
  110    H    GLU  14           H        GLU  14   9.964  -5.202  -8.214
  111    HA   GLU  14           HA       GLU  14   8.277  -5.675  -5.803
  112   1HB   GLU  14          2HB       GLU  14  10.569  -7.478  -6.500
  113   2HB   GLU  14          1HB       GLU  14   9.023  -7.859  -5.737
  114   1HG   GLU  14          2HG       GLU  14   8.754  -8.764  -7.891
  115   2HG   GLU  14          1HG       GLU  14   7.999  -7.181  -8.059
  116    H    LEU  15           H        LEU  15   9.114  -5.175  -3.780
  117    HA   LEU  15           HA       LEU  15  11.961  -4.216  -3.612
  118   1HB   LEU  15          2HB       LEU  15   9.594  -3.380  -1.899
  119   2HB   LEU  15          1HB       LEU  15  11.222  -2.728  -1.810
  120    HG   LEU  15           HG       LEU  15   9.374  -2.577  -4.134
  121   1HD1  LEU  15          1HD1      LEU  15   8.641  -0.555  -3.365
  122   2HD1  LEU  15          2HD1      LEU  15  10.248  -0.056  -2.859
  123   3HD1  LEU  15          3HD1      LEU  15   9.263  -1.069  -1.806
  124   1HD2  LEU  15          1HD2      LEU  15  11.315  -0.747  -4.662
  125   2HD2  LEU  15          2HD2      LEU  15  11.395  -2.401  -5.239
  126   3HD2  LEU  15          3HD2      LEU  15  12.266  -1.926  -3.784
  127    H    ASP  16           H        ASP  16  12.771  -4.228  -1.419
  128    HA   ASP  16           HA       ASP  16  11.867  -6.598   0.157
  129   1HB   ASP  16          2HB       ASP  16  14.320  -6.461  -0.725
  130   2HB   ASP  16          1HB       ASP  16  14.535  -5.172   0.451
  131    H    VAL  17           H        VAL  17  10.460  -5.723   1.683
  132    HA   VAL  17           HA       VAL  17  11.154  -3.081   2.940
  133    HB   VAL  17           HB       VAL  17   8.442  -4.503   2.900
  134   1HG1  VAL  17          1HG1      VAL  17   8.195  -2.923   4.549
  135   2HG1  VAL  17          2HG1      VAL  17   7.844  -1.901   3.167
  136   3HG1  VAL  17          3HG1      VAL  17   9.445  -1.861   3.898
  137   1HG2  VAL  17          1HG2      VAL  17   7.959  -2.696   1.121
  138   2HG2  VAL  17          2HG2      VAL  17   8.991  -4.032   0.616
  139   3HG2  VAL  17          3HG2      VAL  17   9.704  -2.483   1.020
  140    H    ALA  18           H        ALA  18  12.012  -3.307   4.911
  141    HA   ALA  18           HA       ALA  18  12.241  -5.872   6.165
  142   1HB   ALA  18          1HB       ALA  18  12.697  -3.443   7.842
  143   2HB   ALA  18          2HB       ALA  18  13.651  -3.576   6.371
  144   3HB   ALA  18          3HB       ALA  18  13.732  -4.849   7.587
  145    H    ASP  19           H        ASP  19  11.581  -6.337   8.386
  146    HA   ASP  19           HA       ASP  19   8.769  -6.261   8.709
  147   1HB   ASP  19          2HB       ASP  19   9.302  -6.996  11.082
  148   2HB   ASP  19          1HB       ASP  19   9.981  -8.001   9.813
  149    H    GLY  20           H        GLY  20   7.465  -4.972   9.790
  150   1HA   GLY  20          2HA       GLY  20   6.744  -3.162  11.171
  151   2HA   GLY  20          1HA       GLY  20   8.412  -2.948  11.675
  152    H    VAL  21           H        VAL  21   8.591  -2.930   8.317
  153    HA   VAL  21           HA       VAL  21   8.684   0.020   8.345
  154    HB   VAL  21           HB       VAL  21   9.335  -1.962   6.162
  155   1HG1  VAL  21          1HG1      VAL  21   9.826   0.986   6.436
  156   2HG1  VAL  21          2HG1      VAL  21   8.886   0.151   5.191
  157   3HG1  VAL  21          3HG1      VAL  21  10.638  -0.031   5.243
  158   1HG2  VAL  21          1HG2      VAL  21  11.266  -0.490   7.942
  159   2HG2  VAL  21          2HG2      VAL  21  11.644  -1.711   6.724
  160   3HG2  VAL  21          3HG2      VAL  21  10.782  -2.169   8.193
  161    H    SER  22           H        SER  22   7.364   1.275   6.899
  162    HA   SER  22           HA       SER  22   4.851  -0.087   6.112
  163   1HB   SER  22          2HB       SER  22   4.174   2.318   5.539
  164   2HB   SER  22          1HB       SER  22   4.481   1.982   7.244
  165    HG   SER  22           HG       SER  22   5.518   3.906   6.141
  166    H    LEU  23           H        LEU  23   4.210  -0.290   3.949
  167    HA   LEU  23           HA       LEU  23   6.150  -0.542   1.918
  168   1HB   LEU  23          2HB       LEU  23   3.262   0.239   1.477
  169   2HB   LEU  23          1HB       LEU  23   4.302  -0.638   0.363
  170    HG   LEU  23           HG       LEU  23   3.177  -1.617   2.999
  171   1HD1  LEU  23          1HD1      LEU  23   1.706  -1.862   1.075
  172   2HD1  LEU  23          2HD1      LEU  23   2.339  -3.447   1.519
  173   3HD1  LEU  23          3HD1      LEU  23   3.011  -2.584   0.134
  174   1HD2  LEU  23          1HD2      LEU  23   5.405  -2.438   3.062
  175   2HD2  LEU  23          2HD2      LEU  23   5.447  -2.696   1.324
  176   3HD2  LEU  23          3HD2      LEU  23   4.484  -3.759   2.348
  177    H    MET  24           H        MET  24   4.619   2.278   3.189
  178    HA   MET  24           HA       MET  24   5.154   3.989   0.894
  179   1HB   MET  24          2HB       MET  24   3.387   4.749   2.252
  180   2HB   MET  24          1HB       MET  24   4.259   4.396   3.735
  181   1HG   MET  24          2HG       MET  24   5.390   6.473   1.888
  182   2HG   MET  24          1HG       MET  24   4.003   6.901   2.885
  183   1HE   MET  24          1HE       MET  24   7.793   7.563   3.200
  184   2HE   MET  24          2HE       MET  24   7.055   8.549   4.453
  185   3HE   MET  24          3HE       MET  24   6.270   8.407   2.888
  186    H    GLN  25           H        GLN  25   6.854   3.001   3.800
  187    HA   GLN  25           HA       GLN  25   8.868   5.074   3.653
  188   1HB   GLN  25          2HB       GLN  25   8.653   4.092   5.783
  189   2HB   GLN  25          1HB       GLN  25   8.609   2.461   5.128
  190   1HG   GLN  25          2HG       GLN  25  10.780   3.141   6.298
  191   2HG   GLN  25          1HG       GLN  25  10.957   2.469   4.678
  192   1HE2  GLN  25          1HE2      GLN  25  12.731   3.618   3.834
  193   2HE2  GLN  25          2HE2      GLN  25  12.833   5.312   3.784
  194    H    ALA  26           H        ALA  26   8.939   1.555   2.759
  195    HA   ALA  26           HA       ALA  26  11.545   1.775   1.543
  196   1HB   ALA  26          1HB       ALA  26  10.805  -0.402   0.407
  197   2HB   ALA  26          2HB       ALA  26   9.295  -0.214   1.297
  198   3HB   ALA  26          3HB       ALA  26  10.818  -0.390   2.172
  199    H    ALA  27           H        ALA  27   8.312   2.423   0.195
  200    HA   ALA  27           HA       ALA  27   9.127   2.259  -2.540
  201   1HB   ALA  27          1HB       ALA  27   6.871   3.681  -1.127
  202   2HB   ALA  27          2HB       ALA  27   6.792   2.222  -2.115
  203   3HB   ALA  27          3HB       ALA  27   7.097   3.783  -2.865
  204    H    VAL  28           H        VAL  28   8.853   5.068  -0.319
  205    HA   VAL  28           HA       VAL  28   9.653   7.066  -2.149
  206    HB   VAL  28           HB       VAL  28  10.070   6.840   0.840
  207   1HG1  VAL  28          1HG1      VAL  28  10.373   9.395   0.627
  208   2HG1  VAL  28          2HG1      VAL  28  10.709   9.090  -1.076
  209   3HG1  VAL  28          3HG1      VAL  28  11.743   8.385   0.162
  210   1HG2  VAL  28          1HG2      VAL  28   8.154   8.260   0.995
  211   2HG2  VAL  28          2HG2      VAL  28   7.729   7.014  -0.171
  212   3HG2  VAL  28          3HG2      VAL  28   8.195   8.623  -0.721
  213    H    SER  29           H        SER  29  11.530   4.575  -0.633
  214    HA   SER  29           HA       SER  29  14.095   5.948  -1.152
  215   1HB   SER  29          2HB       SER  29  14.696   4.636   0.597
  216   2HB   SER  29          1HB       SER  29  13.113   3.879   0.543
  217    HG   SER  29           HG       SER  29  13.892   2.296  -0.715
  218    H    ASN  30           H        ASN  30  11.980   3.698  -2.674
  219    HA   ASN  30           HA       ASN  30  14.132   2.806  -4.551
  220   1HB   ASN  30          2HB       ASN  30  11.412   1.745  -3.820
  221   2HB   ASN  30          1HB       ASN  30  12.189   1.272  -5.321
  222   1HD2  ASN  30          1HD2      ASN  30  12.753   1.356  -1.781
  223   2HD2  ASN  30          2HD2      ASN  30  13.811   0.027  -1.757
  224    H    GLY  31           H        GLY  31  12.341   5.449  -4.332
  225   1HA   GLY  31          2HA       GLY  31  11.635   6.964  -5.979
  226   2HA   GLY  31          1HA       GLY  31  12.380   5.894  -7.164
  227    H    ILE  32           H        ILE  32   9.711   4.926  -5.023
  228    HA   ILE  32           HA       ILE  32   8.012   4.601  -7.478
  229    HB   ILE  32           HB       ILE  32   7.813   3.065  -4.901
  230   1HG1  ILE  32          2HG1      ILE  32   9.038   2.039  -7.466
  231   2HG1  ILE  32          1HG1      ILE  32  10.023   2.793  -6.220
  232   1HG2  ILE  32          1HG2      ILE  32   5.785   3.101  -6.297
  233   2HG2  ILE  32          2HG2      ILE  32   6.513   1.493  -6.265
  234   3HG2  ILE  32          3HG2      ILE  32   6.730   2.534  -7.683
  235   1HD1  ILE  32          1HD1      ILE  32   9.288   1.201  -4.588
  236   2HD1  ILE  32          2HD1      ILE  32   9.885   0.325  -5.977
  237   3HD1  ILE  32          3HD1      ILE  32   8.153   0.478  -5.713
  238    H    TYR  33           H        TYR  33   7.969   5.647  -4.108
  239    HA   TYR  33           HA       TYR  33   5.131   6.078  -4.122
  240   1HB   TYR  33          2HB       TYR  33   7.136   5.994  -2.188
  241   2HB   TYR  33          1HB       TYR  33   6.611   7.668  -2.140
  242    HD1  TYR  33           1HD      TYR  33   4.883   4.343  -2.629
  243    HD2  TYR  33           2HD      TYR  33   5.027   8.058  -0.467
  244    HE1  TYR  33           1HE      TYR  33   2.875   3.675  -1.340
  245    HE2  TYR  33           2HE      TYR  33   3.021   7.386   0.816
  246    HH   TYR  33           HH       TYR  33   1.921   4.348   1.064
  247    H    ASP  34           H        ASP  34   7.145   7.737  -6.055
  248    HA   ASP  34           HA       ASP  34   6.955  10.439  -5.550
  249   1HB   ASP  34          2HB       ASP  34   6.830  10.739  -8.053
  250   2HB   ASP  34          1HB       ASP  34   8.112   9.661  -7.508
  251    H    ILE  35           H        ILE  35   4.765   9.715  -4.433
  252    HA   ILE  35           HA       ILE  35   2.460  10.777  -6.063
  253    HB   ILE  35           HB       ILE  35   2.329   9.102  -3.534
  254   1HG1  ILE  35          2HG1      ILE  35   1.746   8.283  -6.398
  255   2HG1  ILE  35          1HG1      ILE  35   3.262   7.921  -5.569
  256   1HG2  ILE  35          1HG2      ILE  35  -0.070   8.863  -4.297
  257   2HG2  ILE  35          2HG2      ILE  35   0.258  10.110  -5.501
  258   3HG2  ILE  35          3HG2      ILE  35   0.374  10.490  -3.787
  259   1HD1  ILE  35          1HD1      ILE  35   1.544   6.062  -5.488
  260   2HD1  ILE  35          2HD1      ILE  35   0.550   7.122  -4.486
  261   3HD1  ILE  35          3HD1      ILE  35   2.131   6.596  -3.910
  262    H    VAL  36           H        VAL  36   1.060  12.329  -5.004
  263    HA   VAL  36           HA       VAL  36   2.484  14.264  -3.440
  264    HB   VAL  36           HB       VAL  36  -0.524  14.017  -3.702
  265   1HG1  VAL  36          1HG1      VAL  36  -0.341  16.524  -3.552
  266   2HG1  VAL  36          2HG1      VAL  36   1.377  16.327  -3.198
  267   3HG1  VAL  36          3HG1      VAL  36   0.170  15.685  -2.088
  268   1HG2  VAL  36          1HG2      VAL  36   0.417  13.893  -5.930
  269   2HG2  VAL  36          2HG2      VAL  36   1.549  15.198  -5.579
  270   3HG2  VAL  36          3HG2      VAL  36  -0.177  15.536  -5.693
  271    H    GLY  37           H        GLY  37   3.147  12.450  -1.816
  272   1HA   GLY  37          2HA       GLY  37   1.320  11.395   0.076
  273   2HA   GLY  37          1HA       GLY  37   3.029  11.701   0.403
  274    H    ASP  38           H        ASP  38  -0.204  12.920   0.774
  275    HA   ASP  38           HA       ASP  38   0.480  15.587   1.605
  276   1HB   ASP  38          2HB       ASP  38  -1.924  13.819   2.076
  277   2HB   ASP  38          1HB       ASP  38  -1.820  15.443   2.755
  278    H    CYS  39           H        CYS  39  -0.467  12.734   3.590
  279    HA   CYS  39           HA       CYS  39   0.521  14.073   6.002
  280   1HB   CYS  39          2HB       CYS  39  -0.358  12.260   7.215
  281   2HB   CYS  39          1HB       CYS  39  -1.460  12.417   5.851
  282    H    GLY  40           H        GLY  40   2.055  12.530   3.512
  283   1HA   GLY  40          2HA       GLY  40   4.307  11.880   3.306
  284   2HA   GLY  40          1HA       GLY  40   4.535  12.344   4.990
  285    H    GLY  41           H        GLY  41   1.931  10.224   4.753
  286   1HA   GLY  41          2HA       GLY  41   1.905   7.792   4.736
  287   2HA   GLY  41          1HA       GLY  41   3.635   7.787   5.057
  288    H    SER  42           H        SER  42   1.606   9.966   6.855
  289    HA   SER  42           HA       SER  42   2.152   8.385   9.322
  290   1HB   SER  42          2HB       SER  42   1.324  11.255   8.836
  291   2HB   SER  42          1HB       SER  42   1.320  10.528  10.439
  292    HG   SER  42           HG       SER  42   3.569   9.955   9.960
  293    H    ALA  43           H        ALA  43  -0.031   7.951   7.190
  294    HA   ALA  43           HA       ALA  43  -2.281   7.304   7.174
  295   1HB   ALA  43          1HB       ALA  43  -1.356   5.907   9.087
  296   2HB   ALA  43          2HB       ALA  43  -3.091   6.216   9.148
  297   3HB   ALA  43          3HB       ALA  43  -1.997   7.132  10.177
  298    H    SER  44           H        SER  44  -2.358   9.865   6.763
  299    HA   SER  44           HA       SER  44  -4.548  10.844   8.501
  300   1HB   SER  44          2HB       SER  44  -2.047  11.716   9.085
  301   2HB   SER  44          1HB       SER  44  -2.497  12.913   7.878
  302    HG   SER  44           HG       SER  44  -3.568  13.791   9.456
  303    H    CYS  45           H        CYS  45  -3.621  10.104   5.526
  304    HA   CYS  45           HA       CYS  45  -5.415  12.149   4.309
  305   1HB   CYS  45          2HB       CYS  45  -3.934  12.758   2.603
  306   2HB   CYS  45          1HB       CYS  45  -2.869  12.675   4.004
  307    H    ALA  46           H        ALA  46  -5.350  11.286   1.711
  308    HA   ALA  46           HA       ALA  46  -5.869   8.342   1.806
  309   1HB   ALA  46          1HB       ALA  46  -7.960   9.957   2.059
  310   2HB   ALA  46          2HB       ALA  46  -8.055   8.541   1.020
  311   3HB   ALA  46          3HB       ALA  46  -7.774  10.134   0.315
  312    H    THR  47           H        THR  47  -3.685   9.974   0.685
  313    HA   THR  47           HA       THR  47  -4.134   9.907  -2.223
  314    HB   THR  47           HB       THR  47  -1.446  10.430  -0.957
  315    HG1  THR  47           1HG      THR  47  -3.078  12.611  -1.173
  316   1HG2  THR  47          1HG2      THR  47  -1.181  11.929  -2.799
  317   2HG2  THR  47          2HG2      THR  47  -2.910  11.921  -3.146
  318   3HG2  THR  47          3HG2      THR  47  -1.941  10.484  -3.472
  319    H    CYS  48           H        CYS  48  -2.778   7.925   0.268
  320    HA   CYS  48           HA       CYS  48  -1.204   6.278  -1.600
  321   1HB   CYS  48          2HB       CYS  48  -0.826   4.873   0.470
  322   2HB   CYS  48          1HB       CYS  48  -0.258   6.539   0.587
  323    H    HIS  49           H        HIS  49  -4.002   6.448  -2.180
  324    HA   HIS  49           HA       HIS  49  -5.476   4.160  -1.217
  325   1HB   HIS  49          2HB       HIS  49  -6.792   5.858  -2.185
  326   2HB   HIS  49          1HB       HIS  49  -5.706   6.071  -3.526
  327    HD1  HIS  49           1HD      HIS  49  -8.500   3.762  -2.338
  328    HD2  HIS  49           2HD      HIS  49  -6.141   4.418  -5.690
  329    HE1  HIS  49           1HE      HIS  49  -9.569   2.441  -4.246
  330    HE2  HIS  49           2HE      HIS  49  -8.122   2.835  -6.283
  331    H    VAL  50           H        VAL  50  -4.900   2.037  -1.654
  332    HA   VAL  50           HA       VAL  50  -4.256   1.341  -4.459
  333    HB   VAL  50           HB       VAL  50  -2.196   0.307  -4.096
  334   1HG1  VAL  50          1HG1      VAL  50  -2.123   2.550  -2.072
  335   2HG1  VAL  50          2HG1      VAL  50  -2.034   2.781  -3.811
  336   3HG1  VAL  50          3HG1      VAL  50  -0.759   1.901  -2.970
  337   1HG2  VAL  50          1HG2      VAL  50  -1.344  -0.065  -1.668
  338   2HG2  VAL  50          2HG2      VAL  50  -2.603  -1.142  -2.274
  339   3HG2  VAL  50          3HG2      VAL  50  -3.027   0.186  -1.189
  340    H    TYR  51           H        TYR  51  -4.107  -1.179  -4.552
  341    HA   TYR  51           HA       TYR  51  -6.250  -2.291  -2.776
  342   1HB   TYR  51          2HB       TYR  51  -5.531  -2.898  -5.630
  343   2HB   TYR  51          1HB       TYR  51  -6.783  -3.701  -4.735
  344    HD1  TYR  51           1HD      TYR  51  -8.632  -2.019  -3.623
  345    HD2  TYR  51           2HD      TYR  51  -6.026  -1.020  -6.914
  346    HE1  TYR  51           1HE      TYR  51 -10.125  -0.161  -4.279
  347    HE2  TYR  51           2HE      TYR  51  -7.553   0.797  -7.525
  348    HH   TYR  51           HH       TYR  51 -10.485   1.495  -5.716
  349    H    VAL  52           H        VAL  52  -5.399  -3.630  -1.403
  350    HA   VAL  52           HA       VAL  52  -2.855  -5.085  -1.887
  351    HB   VAL  52           HB       VAL  52  -4.549  -5.338   0.605
  352   1HG1  VAL  52          1HG1      VAL  52  -1.548  -5.425   0.332
  353   2HG1  VAL  52          2HG1      VAL  52  -2.545  -6.856   0.063
  354   3HG1  VAL  52          3HG1      VAL  52  -2.547  -6.062   1.640
  355   1HG2  VAL  52          1HG2      VAL  52  -3.357  -3.476   1.599
  356   2HG2  VAL  52          2HG2      VAL  52  -4.081  -2.900   0.093
  357   3HG2  VAL  52          3HG2      VAL  52  -2.360  -3.281   0.160
  358    H    ASN  53           H        ASN  53  -2.838  -7.218  -2.557
  359    HA   ASN  53           HA       ASN  53  -5.154  -8.574  -3.366
  360   1HB   ASN  53          2HB       ASN  53  -3.753 -10.710  -3.003
  361   2HB   ASN  53          1HB       ASN  53  -3.163  -9.523  -4.149
  362   1HD2  ASN  53          1HD2      ASN  53  -1.346 -11.299  -3.005
  363   2HD2  ASN  53          2HD2      ASN  53  -0.345 -10.475  -1.909
  364    H    GLU  54           H        GLU  54  -6.819  -9.335  -2.239
  365    HA   GLU  54           HA       GLU  54  -7.201  -9.151   0.492
  366   1HB   GLU  54          2HB       GLU  54  -9.009 -10.868   0.199
  367   2HB   GLU  54          1HB       GLU  54  -9.059  -9.560  -0.978
  368   1HG   GLU  54          2HG       GLU  54  -8.016 -10.941  -2.657
  369   2HG   GLU  54          1HG       GLU  54  -7.691 -12.216  -1.487
  370    H    ALA  55           H        ALA  55  -4.870 -11.163  -0.772
  371    HA   ALA  55           HA       ALA  55  -5.312 -13.403   1.095
  372   1HB   ALA  55          1HB       ALA  55  -3.122 -12.791  -0.898
  373   2HB   ALA  55          2HB       ALA  55  -4.419 -13.975  -1.064
  374   3HB   ALA  55          3HB       ALA  55  -3.137 -14.228   0.119
  375    H    PHE  56           H        PHE  56  -3.598 -10.334   1.203
  376    HA   PHE  56           HA       PHE  56  -1.971 -11.286   3.536
  377   1HB   PHE  56          2HB       PHE  56  -1.634  -9.132   1.441
  378   2HB   PHE  56          1HB       PHE  56  -0.630  -9.222   2.890
  379    HD1  PHE  56           1HD      PHE  56  -1.675 -11.061  -0.158
  380    HD2  PHE  56           2HD      PHE  56   1.104 -10.842   3.061
  381    HE1  PHE  56           1HE      PHE  56  -0.289 -12.819  -1.231
  382    HE2  PHE  56           2HE      PHE  56   2.488 -12.598   2.046
  383    HZ   PHE  56           HZ       PHE  56   1.795 -13.589  -0.136
  384    H    THR  57           H        THR  57  -4.643  -9.552   2.501
  385    HA   THR  57           HA       THR  57  -4.615  -7.270   4.267
  386    HB   THR  57           HB       THR  57  -7.125  -7.301   3.861
  387    HG1  THR  57           1HG      THR  57  -7.536  -9.407   3.518
  388   1HG2  THR  57          1HG2      THR  57  -5.849  -5.967   2.399
  389   2HG2  THR  57          2HG2      THR  57  -6.826  -6.979   1.329
  390   3HG2  THR  57          3HG2      THR  57  -5.125  -7.370   1.606
  391    H    ASP  58           H        ASP  58  -5.896 -10.574   4.585
  392    HA   ASP  58           HA       ASP  58  -6.960  -9.975   7.273
  393   1HB   ASP  58          2HB       ASP  58  -7.755 -12.294   7.239
  394   2HB   ASP  58          1HB       ASP  58  -8.182 -11.508   5.720
  395    H    LYS  59           H        LYS  59  -4.027 -10.637   5.973
  396    HA   LYS  59           HA       LYS  59  -3.058 -12.271   8.271
  397   1HB   LYS  59          2HB       LYS  59  -1.374 -11.321   5.945
  398   2HB   LYS  59          1HB       LYS  59  -1.191 -12.765   6.929
  399   1HG   LYS  59          2HG       LYS  59  -3.443 -12.282   4.948
  400   2HG   LYS  59          1HG       LYS  59  -2.037 -13.311   4.671
  401   1HD   LYS  59          2HD       LYS  59  -4.150 -13.716   6.803
  402   2HD   LYS  59          1HD       LYS  59  -3.942 -14.673   5.343
  403   1HE   LYS  59          2HE       LYS  59  -1.484 -15.016   6.295
  404   2HE   LYS  59          1HE       LYS  59  -2.264 -14.634   7.832
  405   1HZ   LYS  59          1HZ       LYS  59  -2.397 -16.954   7.558
  406   2HZ   LYS  59          2HZ       LYS  59  -2.929 -16.826   5.951
  407   3HZ   LYS  59          3HZ       LYS  59  -3.951 -16.363   7.226
  408    H    VAL  60           H        VAL  60  -2.359  -9.259   6.517
  409    HA   VAL  60           HA       VAL  60  -0.542  -8.315   8.576
  410    HB   VAL  60           HB       VAL  60  -1.341  -7.533   5.938
  411   1HG1  VAL  60          1HG1      VAL  60  -1.704  -5.231   5.930
  412   2HG1  VAL  60          2HG1      VAL  60  -1.299  -5.054   7.630
  413   3HG1  VAL  60          3HG1      VAL  60  -2.801  -5.839   7.154
  414   1HG2  VAL  60          1HG2      VAL  60   0.925  -7.466   5.971
  415   2HG2  VAL  60          2HG2      VAL  60   0.992  -7.078   7.682
  416   3HG2  VAL  60          3HG2      VAL  60   0.729  -5.805   6.515
  417    HA   PRO  61           HA       PRO  61  -3.286  -6.930  11.654
  418   1HB   PRO  61          2HB       PRO  61  -2.348  -4.276  12.107
  419   2HB   PRO  61          1HB       PRO  61  -1.832  -5.752  12.939
  420   1HG   PRO  61          2HG       PRO  61  -0.491  -4.248  10.790
  421   2HG   PRO  61          1HG       PRO  61   0.191  -5.366  11.984
  422   1HD   PRO  61          2HD       PRO  61  -0.146  -5.965   9.306
  423   2HD   PRO  61          1HD       PRO  61  -0.037  -7.185  10.563
  424    H    ALA  62           H        ALA  62  -5.353  -6.444  11.433
  425    HA   ALA  62           HA       ALA  62  -6.701  -5.221   9.427
  426   1HB   ALA  62          1HB       ALA  62  -8.547  -4.860  10.998
  427   2HB   ALA  62          2HB       ALA  62  -7.443  -5.060  12.358
  428   3HB   ALA  62          3HB       ALA  62  -7.787  -6.424  11.294
  429    H    ALA  63           H        ALA  63  -6.982  -3.303   8.740
  430    HA   ALA  63           HA       ALA  63  -5.414  -1.072   9.462
  431   1HB   ALA  63          1HB       ALA  63  -7.983  -1.294   7.893
  432   2HB   ALA  63          2HB       ALA  63  -6.343  -1.074   7.282
  433   3HB   ALA  63          3HB       ALA  63  -7.156   0.248   8.118
  434    H    ASN  64           H        ASN  64  -6.034   0.954  10.369
  435    HA   ASN  64           HA       ASN  64  -7.759   0.656  12.756
  436   1HB   ASN  64          2HB       ASN  64  -6.930   3.226  12.952
  437   2HB   ASN  64          1HB       ASN  64  -5.927   1.867  13.438
  438   1HD2  ASN  64          1HD2      ASN  64  -3.991   3.183  12.904
  439   2HD2  ASN  64          2HD2      ASN  64  -3.521   3.381  11.282
  440    H    GLU  65           H        GLU  65  -9.512   2.019  13.242
  441    HA   GLU  65           HA       GLU  65 -11.380   2.504  11.172
  442   1HB   GLU  65          2HB       GLU  65 -12.693   3.689  12.847
  443   2HB   GLU  65          1HB       GLU  65 -11.943   2.279  13.593
  444   1HG   GLU  65          2HG       GLU  65 -10.041   3.830  14.293
  445   2HG   GLU  65          1HG       GLU  65 -11.083   5.169  13.814
  446    H    ARG  66           H        ARG  66  -8.655   4.422  12.093
  447    HA   ARG  66           HA       ARG  66  -9.755   6.947  11.179
  448   1HB   ARG  66          2HB       ARG  66  -6.892   6.006  11.565
  449   2HB   ARG  66          1HB       ARG  66  -7.375   7.666  11.230
  450   1HG   ARG  66          2HG       ARG  66  -8.836   7.573  13.299
  451   2HG   ARG  66          1HG       ARG  66  -8.103   6.012  13.658
  452   1HD   ARG  66          2HD       ARG  66  -6.109   8.135  13.118
  453   2HD   ARG  66          1HD       ARG  66  -7.114   8.430  14.544
  454    HE   ARG  66           HE       ARG  66  -6.002   5.711  14.349
  455   1HH1  ARG  66          1HH2      ARG  66  -5.643   8.953  15.476
  456   2HH1  ARG  66          2HH2      ARG  66  -4.661   8.512  16.830
  457   1HH2  ARG  66          1HH1      ARG  66  -4.739   5.117  16.111
  458   2HH2  ARG  66          2HH1      ARG  66  -4.160   6.334  17.198
  459    H    GLU  67           H        GLU  67  -8.006   4.225   9.811
  460    HA   GLU  67           HA       GLU  67  -7.348   5.388   7.281
  461   1HB   GLU  67          2HB       GLU  67  -6.407   3.251   8.221
  462   2HB   GLU  67          1HB       GLU  67  -7.964   2.486   7.911
  463   1HG   GLU  67          2HG       GLU  67  -7.603   3.417   5.465
  464   2HG   GLU  67          1HG       GLU  67  -5.912   3.489   5.952
  465    H    ILE  68           H        ILE  68 -10.169   3.631   8.500
  466    HA   ILE  68           HA       ILE  68 -11.572   3.306   6.059
  467    HB   ILE  68           HB       ILE  68 -12.439   3.536   8.938
  468   1HG1  ILE  68          2HG1      ILE  68 -12.876   1.181   8.725
  469   2HG1  ILE  68          1HG1      ILE  68 -12.699   1.241   6.974
  470   1HG2  ILE  68          1HG2      ILE  68 -14.357   4.418   7.840
  471   2HG2  ILE  68          2HG2      ILE  68 -14.711   2.705   8.053
  472   3HG2  ILE  68          3HG2      ILE  68 -14.188   3.302   6.483
  473   1HD1  ILE  68          1HD1      ILE  68 -10.333   1.651   7.156
  474   2HD1  ILE  68          2HD1      ILE  68 -10.706   0.300   8.224
  475   3HD1  ILE  68          3HD1      ILE  68 -10.458   1.908   8.889
  476    H    GLY  69           H        GLY  69 -11.488   6.113   8.270
  477   1HA   GLY  69          2HA       GLY  69 -13.607   7.496   6.859
  478   2HA   GLY  69          1HA       GLY  69 -12.522   8.222   8.026
  479    H    MET  70           H        MET  70 -10.085   7.533   6.544
  480    HA   MET  70           HA       MET  70 -10.196   9.737   4.558
  481   1HB   MET  70          2HB       MET  70  -7.737   9.215   4.278
  482   2HB   MET  70          1HB       MET  70  -8.192   9.672   5.924
  483   1HG   MET  70          2HG       MET  70  -8.364   7.262   6.498
  484   2HG   MET  70          1HG       MET  70  -7.785   6.853   4.892
  485   1HE   MET  70          1HE       MET  70  -6.660   7.262   8.495
  486   2HE   MET  70          2HE       MET  70  -7.253   8.854   8.027
  487   3HE   MET  70          3HE       MET  70  -5.552   8.643   8.431
  488    H    LEU  71           H        LEU  71  -9.968   6.255   4.722
  489    HA   LEU  71           HA       LEU  71  -9.373   5.822   1.948
  490   1HB   LEU  71          2HB       LEU  71  -8.954   4.169   3.748
  491   2HB   LEU  71          1HB       LEU  71 -10.677   4.009   4.008
  492    HG   LEU  71           HG       LEU  71  -9.346   2.235   2.547
  493   1HD1  LEU  71          1HD1      LEU  71 -11.373   1.679   1.376
  494   2HD1  LEU  71          2HD1      LEU  71 -12.002   3.305   1.573
  495   3HD1  LEU  71          3HD1      LEU  71 -11.791   2.262   2.980
  496   1HD2  LEU  71          1HD2      LEU  71  -9.358   2.688   0.146
  497   2HD2  LEU  71          2HD2      LEU  71  -8.412   3.926   0.962
  498   3HD2  LEU  71          3HD2      LEU  71 -10.033   4.283   0.417
  499    H    GLU  72           H        GLU  72 -12.399   6.126   3.811
  500    HA   GLU  72           HA       GLU  72 -14.096   5.410   1.571
  501   1HB   GLU  72          2HB       GLU  72 -15.007   5.247   3.797
  502   2HB   GLU  72          1HB       GLU  72 -14.579   6.920   4.167
  503   1HG   GLU  72          2HG       GLU  72 -16.293   7.789   2.810
  504   2HG   GLU  72          1HG       GLU  72 -16.431   6.309   1.858
  505    H    CYS  73           H        CYS  73 -11.987   7.825   2.002
  506    HA   CYS  73           HA       CYS  73 -13.587   9.872   0.486
  507   1HB   CYS  73          2HB       CYS  73 -11.740  10.010   2.772
  508   2HB   CYS  73          1HB       CYS  73 -11.359  11.195   1.531
  509    HG   CYS  73           HG       CYS  73 -14.163  11.008   2.914
  510    H    VAL  74           H        VAL  74 -11.720   7.531  -0.558
  511    HA   VAL  74           HA       VAL  74  -9.555   9.033  -1.814
  512    HB   VAL  74           HB       VAL  74  -9.129   6.922  -3.055
  513   1HG1  VAL  74          1HG1      VAL  74  -9.578   6.825  -0.070
  514   2HG1  VAL  74          2HG1      VAL  74  -8.089   7.240  -0.905
  515   3HG1  VAL  74          3HG1      VAL  74  -8.693   5.581  -0.948
  516   1HG2  VAL  74          1HG2      VAL  74 -10.492   5.002  -2.764
  517   2HG2  VAL  74          2HG2      VAL  74 -11.657   6.299  -3.019
  518   3HG2  VAL  74          3HG2      VAL  74 -11.340   5.709  -1.392
  519    H    THR  75           H        THR  75  -9.322   8.821  -4.312
  520    HA   THR  75           HA       THR  75 -11.815   9.944  -5.475
  521    HB   THR  75           HB       THR  75  -9.108   9.871  -6.807
  522    HG1  THR  75           1HG      THR  75 -10.095  11.811  -4.985
  523   1HG2  THR  75          1HG2      THR  75  -9.976  11.973  -7.813
  524   2HG2  THR  75          2HG2      THR  75 -11.489  11.745  -6.939
  525   3HG2  THR  75          3HG2      THR  75 -11.005  10.586  -8.173
  526    H    ALA  76           H        ALA  76 -10.009   6.937  -5.643
  527    HA   ALA  76           HA       ALA  76 -11.148   6.331  -8.322
  528   1HB   ALA  76          1HB       ALA  76  -9.026   5.118  -6.569
  529   2HB   ALA  76          2HB       ALA  76  -8.953   5.545  -8.280
  530   3HB   ALA  76          3HB       ALA  76  -9.817   4.099  -7.774
  531    H    GLU  77           H        GLU  77 -11.956   3.872  -8.402
  532    HA   GLU  77           HA       GLU  77 -14.303   3.756  -6.801
  533   1HB   GLU  77          2HB       GLU  77 -14.809   2.434  -8.592
  534   2HB   GLU  77          1HB       GLU  77 -13.118   2.412  -9.055
  535   1HG   GLU  77          2HG       GLU  77 -12.714   0.454  -7.635
  536   2HG   GLU  77          1HG       GLU  77 -14.372   0.514  -7.033
  537    H    LEU  78           H        LEU  78 -14.587   2.858  -4.816
  538    HA   LEU  78           HA       LEU  78 -12.301   1.743  -3.403
  539   1HB   LEU  78          2HB       LEU  78 -14.636   2.958  -2.596
  540   2HB   LEU  78          1HB       LEU  78 -15.025   1.272  -2.280
  541    HG   LEU  78           HG       LEU  78 -12.609   1.224  -1.168
  542   1HD1  LEU  78          1HD1      LEU  78 -13.097   4.031  -0.352
  543   2HD1  LEU  78          2HD1      LEU  78 -12.562   3.835  -2.017
  544   3HD1  LEU  78          3HD1      LEU  78 -11.601   3.177  -0.711
  545   1HD2  LEU  78          1HD2      LEU  78 -14.815   0.907  -0.001
  546   2HD2  LEU  78          2HD2      LEU  78 -14.924   2.656   0.194
  547   3HD2  LEU  78          3HD2      LEU  78 -13.636   1.752   0.984
  548    H    LYS  79           H        LYS  79 -12.459  -0.333  -2.273
  549    HA   LYS  79           HA       LYS  79 -13.800  -2.448  -3.893
  550   1HB   LYS  79          2HB       LYS  79 -10.920  -2.032  -3.184
  551   2HB   LYS  79          1HB       LYS  79 -11.510  -3.688  -3.325
  552   1HG   LYS  79          2HG       LYS  79 -11.895  -1.617  -5.498
  553   2HG   LYS  79          1HG       LYS  79 -10.473  -2.639  -5.427
  554   1HD   LYS  79          2HD       LYS  79 -12.077  -4.640  -5.371
  555   2HD   LYS  79          1HD       LYS  79 -13.343  -3.505  -5.838
  556   1HE   LYS  79          2HE       LYS  79 -12.344  -4.624  -7.805
  557   2HE   LYS  79          1HE       LYS  79 -12.082  -2.881  -7.843
  558   1HZ   LYS  79          1HZ       LYS  79 -10.028  -4.370  -6.472
  559   2HZ   LYS  79          2HZ       LYS  79  -9.887  -3.128  -7.617
  560   3HZ   LYS  79          3HZ       LYS  79 -10.151  -4.729  -8.123
  561    HA   PRO  80           HA       PRO  80 -15.055  -3.948   0.069
  562   1HB   PRO  80          2HB       PRO  80 -14.391  -6.692  -0.187
  563   2HB   PRO  80          1HB       PRO  80 -15.932  -5.946  -0.648
  564   1HG   PRO  80          2HG       PRO  80 -13.607  -6.677  -2.351
  565   2HG   PRO  80          1HG       PRO  80 -15.337  -6.674  -2.733
  566   1HD   PRO  80          2HD       PRO  80 -13.662  -4.748  -3.650
  567   2HD   PRO  80          1HD       PRO  80 -15.357  -4.396  -3.242
  568    H    ASN  81           H        ASN  81 -11.946  -4.976  -1.187
  569    HA   ASN  81           HA       ASN  81 -10.796  -4.995   1.578
  570   1HB   ASN  81          2HB       ASN  81  -8.994  -6.367   0.630
  571   2HB   ASN  81          1HB       ASN  81 -10.563  -7.112   0.322
  572   1HD2  ASN  81          1HD2      ASN  81  -7.676  -6.202  -1.183
  573   2HD2  ASN  81          2HD2      ASN  81  -8.225  -6.189  -2.785
  574    H    SER  82           H        SER  82 -11.214  -2.473  -0.009
  575    HA   SER  82           HA       SER  82  -8.687  -1.700  -1.136
  576   1HB   SER  82          2HB       SER  82 -11.298  -0.615  -0.875
  577   2HB   SER  82          1HB       SER  82 -10.181   0.559  -0.197
  578    HG   SER  82           HG       SER  82  -9.209   0.750  -2.078
  579    H    ARG  83           H        ARG  83  -7.030  -0.567  -0.110
  580    HA   ARG  83           HA       ARG  83  -7.285   0.256   2.713
  581   1HB   ARG  83          2HB       ARG  83  -5.464  -1.999   1.824
  582   2HB   ARG  83          1HB       ARG  83  -5.177  -1.088   3.304
  583   1HG   ARG  83          2HG       ARG  83  -7.469  -1.712   4.077
  584   2HG   ARG  83          1HG       ARG  83  -7.647  -2.715   2.637
  585   1HD   ARG  83          2HD       ARG  83  -6.815  -4.362   4.009
  586   2HD   ARG  83          1HD       ARG  83  -5.262  -3.659   3.577
  587    HE   ARG  83           HE       ARG  83  -6.087  -2.193   5.790
  588   1HH1  ARG  83          1HH2      ARG  83  -5.570  -5.488   4.943
  589   2HH1  ARG  83          2HH2      ARG  83  -5.200  -5.989   6.553
  590   1HH2  ARG  83          1HH1      ARG  83  -5.593  -2.826   7.916
  591   2HH2  ARG  83          2HH1      ARG  83  -5.215  -4.486   8.236
  592    H    LEU  84           H        LEU  84  -5.191   1.305   3.445
  593    HA   LEU  84           HA       LEU  84  -4.065   2.858   1.191
  594   1HB   LEU  84          2HB       LEU  84  -4.137   3.145   4.182
  595   2HB   LEU  84          1HB       LEU  84  -2.875   3.985   3.281
  596    HG   LEU  84           HG       LEU  84  -4.577   5.065   1.871
  597   1HD1  LEU  84          1HD1      LEU  84  -7.001   4.783   2.632
  598   2HD1  LEU  84          2HD1      LEU  84  -6.445   3.340   3.473
  599   3HD1  LEU  84          3HD1      LEU  84  -6.278   3.451   1.726
  600   1HD2  LEU  84          1HD2      LEU  84  -5.316   6.647   3.445
  601   2HD2  LEU  84          2HD2      LEU  84  -3.921   5.931   4.254
  602   3HD2  LEU  84          3HD2      LEU  84  -5.552   5.430   4.703
  603    H    CYS  85           H        CYS  85  -1.590   3.254   1.349
  604    HA   CYS  85           HA       CYS  85  -0.285   0.583   1.698
  605   1HB   CYS  85          2HB       CYS  85  -0.391   2.098  -0.513
  606   2HB   CYS  85          1HB       CYS  85   1.066   2.783   0.192
  607    HG   CYS  85           HG       CYS  85   0.776  -0.286  -0.381
  608    H    CYS  86           H        CYS  86  -0.518   3.417   3.452
  609    HA   CYS  86           HA       CYS  86   2.348   3.281   4.321
  610   1HB   CYS  86          2HB       CYS  86   2.100   5.507   5.200
  611   2HB   CYS  86          1HB       CYS  86   1.495   5.498   3.542
  612    H    GLN  87           H        GLN  87  -0.947   2.845   5.477
  613    HA   GLN  87           HA       GLN  87   0.025   2.601   8.274
  614   1HB   GLN  87          2HB       GLN  87  -2.302   2.307   8.884
  615   2HB   GLN  87          1HB       GLN  87  -2.171   3.679   7.791
  616   1HG   GLN  87          2HG       GLN  87  -3.747   2.697   6.466
  617   2HG   GLN  87          1HG       GLN  87  -2.570   1.448   6.077
  618   1HE2  GLN  87          1HE2      GLN  87  -4.824   2.264   8.786
  619   2HE2  GLN  87          2HE2      GLN  87  -5.326   0.664   9.048
  620    H    ILE  88           H        ILE  88   0.624   0.816   5.891
  621    HA   ILE  88           HA       ILE  88  -0.173  -1.827   7.091
  622    HB   ILE  88           HB       ILE  88   0.704  -1.219   4.241
  623   1HG1  ILE  88          2HG1      ILE  88  -1.643  -0.466   5.100
  624   2HG1  ILE  88          1HG1      ILE  88  -1.549  -1.383   3.597
  625   1HG2  ILE  88          1HG2      ILE  88   1.405  -3.421   4.642
  626   2HG2  ILE  88          2HG2      ILE  88  -0.208  -3.638   3.968
  627   3HG2  ILE  88          3HG2      ILE  88   0.042  -3.759   5.701
  628   1HD1  ILE  88          1HD1      ILE  88  -2.534  -3.251   4.523
  629   2HD1  ILE  88          2HD1      ILE  88  -3.267  -2.026   5.555
  630   3HD1  ILE  88          3HD1      ILE  88  -1.883  -2.945   6.132
  631    H    ILE  89           H        ILE  89   1.380  -2.968   8.068
  632    HA   ILE  89           HA       ILE  89   4.236  -2.187   7.722
  633    HB   ILE  89           HB       ILE  89   2.566  -3.305   9.929
  634   1HG1  ILE  89          2HG1      ILE  89   3.987  -1.864  11.301
  635   2HG1  ILE  89          1HG1      ILE  89   5.059  -1.578   9.934
  636   1HG2  ILE  89          1HG2      ILE  89   5.449  -4.161   9.514
  637   2HG2  ILE  89          2HG2      ILE  89   4.040  -5.182   9.819
  638   3HG2  ILE  89          3HG2      ILE  89   4.670  -4.157  11.104
  639   1HD1  ILE  89          1HD1      ILE  89   3.199   0.184  10.493
  640   2HD1  ILE  89          2HD1      ILE  89   2.124  -0.952   9.681
  641   3HD1  ILE  89          3HD1      ILE  89   3.491  -0.252   8.815
  642    H    MET  90           H        MET  90   5.500  -3.481   6.507
  643    HA   MET  90           HA       MET  90   4.526  -6.076   5.650
  644   1HB   MET  90          2HB       MET  90   6.039  -4.403   4.323
  645   2HB   MET  90          1HB       MET  90   7.359  -5.235   5.150
  646   1HG   MET  90          2HG       MET  90   6.968  -6.382   3.055
  647   2HG   MET  90          1HG       MET  90   6.382  -7.415   4.352
  648   1HE   MET  90          1HE       MET  90   4.673  -8.816   3.701
  649   2HE   MET  90          2HE       MET  90   3.048  -8.355   3.206
  650   3HE   MET  90          3HE       MET  90   3.625  -7.903   4.793
  651    H    THR  91           H        THR  91   5.751  -8.067   5.862
  652    HA   THR  91           HA       THR  91   7.640  -8.323   8.093
  653    HB   THR  91           HB       THR  91   6.105 -10.261   8.973
  654    HG1  THR  91           1HG      THR  91   4.349  -8.634   7.483
  655   1HG2  THR  91          1HG2      THR  91   5.017  -8.767  10.539
  656   2HG2  THR  91          2HG2      THR  91   5.252  -7.401   9.451
  657   3HG2  THR  91          3HG2      THR  91   6.645  -8.171  10.216
  658    HA   PRO  92           HA       PRO  92   9.245 -11.364   5.336
  659   1HB   PRO  92          2HB       PRO  92  10.069 -13.343   7.121
  660   2HB   PRO  92          1HB       PRO  92  10.994 -11.885   6.725
  661   1HG   PRO  92          2HG       PRO  92   9.225 -12.432   9.071
  662   2HG   PRO  92          1HG       PRO  92  10.771 -11.562   8.998
  663   1HD   PRO  92          2HD       PRO  92   8.429 -10.238   9.164
  664   2HD   PRO  92          1HD       PRO  92   9.784  -9.604   8.199
  665    H    GLU  93           H        GLU  93   7.199 -12.809   7.895
  666    HA   GLU  93           HA       GLU  93   6.576 -15.195   6.451
  667   1HB   GLU  93          2HB       GLU  93   4.360 -14.995   7.898
  668   2HB   GLU  93          1HB       GLU  93   5.906 -15.325   8.678
  669   1HG   GLU  93          2HG       GLU  93   6.159 -13.086   9.397
  670   2HG   GLU  93          1HG       GLU  93   4.925 -12.496   8.288
  671    H    LEU  94           H        LEU  94   5.264 -11.961   6.314
  672    HA   LEU  94           HA       LEU  94   3.118 -12.749   4.433
  673   1HB   LEU  94          2HB       LEU  94   3.963 -10.061   5.572
  674   2HB   LEU  94          1HB       LEU  94   2.561 -10.284   4.571
  675    HG   LEU  94           HG       LEU  94   3.040 -11.159   7.408
  676   1HD1  LEU  94          1HD1      LEU  94   1.781  -9.178   7.206
  677   2HD1  LEU  94          2HD1      LEU  94   0.596 -10.428   7.562
  678   3HD1  LEU  94          3HD1      LEU  94   0.770  -9.828   5.909
  679   1HD2  LEU  94          1HD2      LEU  94   1.090 -12.519   5.519
  680   2HD2  LEU  94          2HD2      LEU  94   1.012 -12.613   7.277
  681   3HD2  LEU  94          3HD2      LEU  94   2.398 -13.277   6.443
  682    H    ASP  95           H        ASP  95   6.190 -12.687   3.957
  683    HA   ASP  95           HA       ASP  95   6.736 -10.860   1.865
  684   1HB   ASP  95          2HB       ASP  95   8.472 -12.491   1.165
  685   2HB   ASP  95          1HB       ASP  95   8.474 -12.263   2.914
  686    H    GLY  96           H        GLY  96   6.290 -10.868  -0.283
  687   1HA   GLY  96          2HA       GLY  96   5.783 -11.995  -2.411
  688   2HA   GLY  96          1HA       GLY  96   4.844 -13.187  -1.512
  689    H    ILE  97           H        ILE  97   4.176 -10.411  -0.049
  690    HA   ILE  97           HA       ILE  97   1.489 -10.245  -0.722
  691    HB   ILE  97           HB       ILE  97   2.107  -9.089   1.200
  692   1HG1  ILE  97          2HG1      ILE  97   1.768  -6.655   0.895
  693   2HG1  ILE  97          1HG1      ILE  97   1.931  -6.819  -0.833
  694   1HG2  ILE  97          1HG2      ILE  97   4.355  -8.705   1.332
  695   2HG2  ILE  97          2HG2      ILE  97   4.011  -7.131   0.617
  696   3HG2  ILE  97          3HG2      ILE  97   4.492  -8.460  -0.385
  697   1HD1  ILE  97          1HD1      ILE  97  -0.316  -7.066  -0.838
  698   2HD1  ILE  97          2HD1      ILE  97  -0.351  -7.331   0.894
  699   3HD1  ILE  97          3HD1      ILE  97  -0.042  -8.679  -0.182
  700    H    VAL  98           H        VAL  98   0.323  -9.479  -2.410
  701    HA   VAL  98           HA       VAL  98   1.767  -8.002  -4.577
  702    HB   VAL  98           HB       VAL  98  -0.963  -9.277  -4.776
  703   1HG1  VAL  98          1HG1      VAL  98   1.191  -8.805  -6.856
  704   2HG1  VAL  98          2HG1      VAL  98  -0.138  -7.686  -6.546
  705   3HG1  VAL  98          3HG1      VAL  98  -0.473  -9.312  -7.143
  706   1HG2  VAL  98          1HG2      VAL  98   1.751 -10.564  -5.227
  707   2HG2  VAL  98          2HG2      VAL  98   0.207 -11.286  -5.678
  708   3HG2  VAL  98          3HG2      VAL  98   0.587 -11.013  -3.979
  709    H    VAL  99           H        VAL  99   1.475  -5.808  -4.450
  710    HA   VAL  99           HA       VAL  99  -1.070  -4.720  -3.333
  711    HB   VAL  99           HB       VAL  99   1.339  -3.061  -4.094
  712   1HG1  VAL  99          1HG1      VAL  99   0.579  -1.778  -2.088
  713   2HG1  VAL  99          2HG1      VAL  99  -0.745  -2.929  -1.891
  714   3HG1  VAL  99          3HG1      VAL  99  -0.663  -1.911  -3.331
  715   1HG2  VAL  99          1HG2      VAL  99   2.359  -3.446  -1.914
  716   2HG2  VAL  99          2HG2      VAL  99   2.262  -4.961  -2.800
  717   3HG2  VAL  99          3HG2      VAL  99   1.113  -4.622  -1.501
  718    H    ASP 100           H        ASP 100  -2.482  -3.878  -4.751
  719    HA   ASP 100           HA       ASP 100  -1.624  -3.352  -7.556
  720   1HB   ASP 100          2HB       ASP 100  -4.065  -4.354  -6.255
  721   2HB   ASP 100          1HB       ASP 100  -4.373  -3.215  -7.569
  722    H    VAL 101           H        VAL 101  -1.234  -1.338  -8.100
  723    HA   VAL 101           HA       VAL 101  -2.482   0.902  -6.572
  724    HB   VAL 101           HB       VAL 101  -0.075   0.958  -8.407
  725   1HG1  VAL 101          1HG1      VAL 101  -1.096   2.905  -6.313
  726   2HG1  VAL 101          2HG1      VAL 101  -1.199   3.127  -8.062
  727   3HG1  VAL 101          3HG1      VAL 101   0.375   3.099  -7.272
  728   1HG2  VAL 101          1HG2      VAL 101   0.392  -0.508  -6.511
  729   2HG2  VAL 101          2HG2      VAL 101  -0.248   0.692  -5.386
  730   3HG2  VAL 101          3HG2      VAL 101   1.237   1.022  -6.278
  731    HA   PRO 102           HA       PRO 102  -4.655   1.450 -10.540
  732   1HB   PRO 102          2HB       PRO 102  -6.393   3.386  -9.815
  733   2HB   PRO 102          1HB       PRO 102  -6.543   1.736  -9.202
  734   1HG   PRO 102          2HG       PRO 102  -5.403   4.120  -7.859
  735   2HG   PRO 102          1HG       PRO 102  -6.469   2.849  -7.231
  736   1HD   PRO 102          2HD       PRO 102  -3.725   2.890  -6.821
  737   2HD   PRO 102          1HD       PRO 102  -4.721   1.415  -6.779
  738    H    ASP 103           H        ASP 103  -5.572   3.660 -11.605
  739    HA   ASP 103           HA       ASP 103  -3.170   5.324 -12.159
  740   1HB   ASP 103          2HB       ASP 103  -4.454   4.389 -14.080
  741   2HB   ASP 103          1HB       ASP 103  -5.877   5.276 -13.529
  742    H    ARG 104           H        ARG 104  -6.064   5.318 -10.379
  743    HA   ARG 104           HA       ARG 104  -5.947   8.280  -9.939
  744   1HB   ARG 104          2HB       ARG 104  -8.216   6.361 -10.332
  745   2HB   ARG 104          1HB       ARG 104  -8.463   7.628  -9.135
  746   1HG   ARG 104          2HG       ARG 104  -7.490   8.229 -11.935
  747   2HG   ARG 104          1HG       ARG 104  -9.204   8.114 -11.556
  748   1HD   ARG 104          2HD       ARG 104  -8.913  10.384 -11.216
  749   2HD   ARG 104          1HD       ARG 104  -8.489   9.830  -9.599
  750    HE   ARG 104           HE       ARG 104  -6.076   9.746 -10.883
  751   1HH1  ARG 104          1HH2      ARG 104  -8.607  12.099 -10.771
  752   2HH1  ARG 104          2HH2      ARG 104  -7.521  13.446 -10.821
  753   1HH2  ARG 104          1HH1      ARG 104  -4.666  11.462 -10.960
  754   2HH2  ARG 104          2HH1      ARG 104  -5.274  13.084 -10.917
  755    H    GLN 105           H        GLN 105  -4.870   8.481  -7.956
  756    HA   GLN 105           HA       GLN 105  -5.724   6.609  -5.773
  757   1HB   GLN 105          2HB       GLN 105  -3.445   6.828  -4.880
  758   2HB   GLN 105          1HB       GLN 105  -3.381   6.231  -6.533
  759   1HG   GLN 105          2HG       GLN 105  -3.151   8.741  -7.198
  760   2HG   GLN 105          1HG       GLN 105  -2.732   8.993  -5.508
  761   1HE2  GLN 105          1HE2      GLN 105  -1.633   5.975  -5.878
  762   2HE2  GLN 105          2HE2      GLN 105  -0.066   6.267  -6.464
  763    H    TRP 106           H        TRP 106  -5.365   9.807  -6.916
  764    HA   TRP 106           HA       TRP 106  -4.924  11.477  -4.766
  765   1HB   TRP 106          2HB       TRP 106  -5.595  12.256  -7.046
  766   2HB   TRP 106          1HB       TRP 106  -7.262  11.824  -6.665
  767    HD1  TRP 106           HD       TRP 106  -8.666  13.569  -5.431
  768    HE1  TRP 106           1HE      TRP 106  -8.175  15.822  -4.266
  769    HE3  TRP 106           3HE      TRP 106  -3.558  13.572  -5.606
  770    HZ2  TRP 106           2HZ      TRP 106  -5.925  17.412  -3.523
  771    HZ3  TRP 106           3HZ      TRP 106  -2.272  15.467  -4.662
  772    HH2  TRP 106           HH       TRP 106  -3.447  17.385  -3.622
  Start of MODEL   15
    1   1H    SER   1          1HT       SER   1  10.769  -8.081   3.468
    2   2H    SER   1          2HT       SER   1  11.916  -9.132   2.782
    3   3H    SER   1          3HT       SER   1  11.245  -9.475   4.308
    4    HA   SER   1           HA       SER   1  10.175 -10.901   2.775
    5   1HB   SER   1          2HB       SER   1   8.047  -8.826   2.849
    6   2HB   SER   1          1HB       SER   1   8.057 -10.449   3.525
    7    HG   SER   1           HG       SER   1   9.050  -8.045   4.593
    8    H    LYS   2           H        LYS   2   8.919 -11.107   0.701
    9    HA   LYS   2           HA       LYS   2  10.046  -9.310  -1.332
   10   1HB   LYS   2          2HB       LYS   2   8.677 -11.958  -1.251
   11   2HB   LYS   2          1HB       LYS   2   8.337 -10.995  -2.679
   12   1HG   LYS   2          2HG       LYS   2  11.181 -11.384  -1.734
   13   2HG   LYS   2          1HG       LYS   2  10.387 -12.622  -2.707
   14   1HD   LYS   2          2HD       LYS   2   9.898 -10.913  -4.446
   15   2HD   LYS   2          1HD       LYS   2  10.770  -9.715  -3.490
   16   1HE   LYS   2          2HE       LYS   2  12.819 -11.063  -3.633
   17   2HE   LYS   2          1HE       LYS   2  11.957 -12.291  -4.564
   18   1HZ   LYS   2          1HZ       LYS   2  12.543 -11.145  -6.356
   19   2HZ   LYS   2          2HZ       LYS   2  13.077  -9.818  -5.440
   20   3HZ   LYS   2          3HZ       LYS   2  11.440  -9.950  -5.869
   21    H    VAL   3           H        VAL   3   8.931  -7.492  -1.964
   22    HA   VAL   3           HA       VAL   3   5.986  -7.423  -1.480
   23    HB   VAL   3           HB       VAL   3   8.202  -5.402  -1.233
   24   1HG1  VAL   3          1HG1      VAL   3   6.492  -3.675  -0.826
   25   2HG1  VAL   3          2HG1      VAL   3   5.243  -4.807  -1.347
   26   3HG1  VAL   3          3HG1      VAL   3   6.481  -4.263  -2.484
   27   1HG2  VAL   3          1HG2      VAL   3   6.269  -6.705   0.637
   28   2HG2  VAL   3          2HG2      VAL   3   6.754  -5.056   0.987
   29   3HG2  VAL   3          3HG2      VAL   3   7.967  -6.324   0.868
   30    H    VAL   4           H        VAL   4   4.823  -7.246  -3.333
   31    HA   VAL   4           HA       VAL   4   6.257  -6.199  -5.767
   32    HB   VAL   4           HB       VAL   4   3.975  -8.124  -5.531
   33   1HG1  VAL   4          1HG1      VAL   4   5.238  -6.787  -7.914
   34   2HG1  VAL   4          2HG1      VAL   4   3.531  -6.824  -7.473
   35   3HG1  VAL   4          3HG1      VAL   4   4.322  -8.289  -8.060
   36   1HG2  VAL   4          1HG2      VAL   4   6.866  -8.379  -6.331
   37   2HG2  VAL   4          2HG2      VAL   4   5.665  -9.591  -6.769
   38   3HG2  VAL   4          3HG2      VAL   4   6.005  -9.266  -5.069
   39    H    TYR   5           H        TYR   5   5.530  -4.463  -6.623
   40    HA   TYR   5           HA       TYR   5   2.914  -3.273  -5.807
   41   1HB   TYR   5          2HB       TYR   5   5.492  -1.985  -6.743
   42   2HB   TYR   5          1HB       TYR   5   3.962  -1.113  -6.687
   43    HD1  TYR   5           1HD      TYR   5   6.727  -2.472  -4.745
   44    HD2  TYR   5           2HD      TYR   5   2.779  -0.799  -4.483
   45    HE1  TYR   5           1HE      TYR   5   7.068  -2.020  -2.339
   46    HE2  TYR   5           2HE      TYR   5   3.144  -0.337  -2.066
   47    HH   TYR   5           HH       TYR   5   6.279  -0.672  -0.595
   48    H    VAL   6           H        VAL   6   1.401  -3.423  -7.403
   49    HA   VAL   6           HA       VAL   6   2.362  -3.741 -10.229
   50    HB   VAL   6           HB       VAL   6  -0.434  -4.251  -9.202
   51   1HG1  VAL   6          1HG1      VAL   6  -0.650  -5.492 -11.297
   52   2HG1  VAL   6          2HG1      VAL   6   1.034  -5.139 -11.694
   53   3HG1  VAL   6          3HG1      VAL   6  -0.149  -3.833 -11.630
   54   1HG2  VAL   6          1HG2      VAL   6   0.982  -5.801  -8.031
   55   2HG2  VAL   6          2HG2      VAL   6   1.947  -6.098  -9.479
   56   3HG2  VAL   6          3HG2      VAL   6   0.285  -6.685  -9.385
   57    H    SER   7           H        SER   7   2.439  -1.881 -11.207
   58    HA   SER   7           HA       SER   7   1.081   0.479 -10.283
   59   1HB   SER   7          2HB       SER   7   2.011   1.503 -12.390
   60   2HB   SER   7          1HB       SER   7   3.220   0.720 -11.380
   61    HG   SER   7           HG       SER   7   2.166  -0.033 -13.851
   62    H    HIS   8           H        HIS   8  -0.003   1.833 -12.121
   63    HA   HIS   8           HA       HIS   8  -2.457   0.400 -12.810
   64   1HB   HIS   8          2HB       HIS   8  -2.472   2.950 -14.114
   65   2HB   HIS   8          1HB       HIS   8  -3.309   2.507 -12.640
   66    HD1  HIS   8           1HD      HIS   8  -0.981   2.252 -10.665
   67    HD2  HIS   8           2HD      HIS   8  -1.285   5.348 -13.452
   68    HE1  HIS   8           1HE      HIS   8   0.388   4.180  -9.750
   69    HE2  HIS   8           2HE      HIS   8   0.213   6.066 -11.438
   70    H    ASP   9           H        ASP   9   0.292   1.813 -14.570
   71    HA   ASP   9           HA       ASP   9  -0.705   1.118 -17.170
   72   1HB   ASP   9          2HB       ASP   9   1.626   1.505 -17.939
   73   2HB   ASP   9          1HB       ASP   9   1.042   2.811 -16.907
   74    H    GLY  10           H        GLY  10   0.296  -0.922 -14.681
   75   1HA   GLY  10          2HA       GLY  10   0.182  -3.320 -14.961
   76   2HA   GLY  10          1HA       GLY  10   0.683  -3.139 -16.637
   77    H    THR  11           H        THR  11   2.785  -1.132 -15.297
   78    HA   THR  11           HA       THR  11   4.929  -3.050 -15.367
   79    HB   THR  11           HB       THR  11   4.717  -0.267 -15.524
   80    HG1  THR  11           1HG      THR  11   6.135  -1.456 -16.705
   81   1HG2  THR  11          1HG2      THR  11   6.370   0.605 -13.942
   82   2HG2  THR  11          2HG2      THR  11   6.542  -0.982 -13.197
   83   3HG2  THR  11          3HG2      THR  11   5.024  -0.097 -13.051
   84    H    ARG  12           H        ARG  12   5.742  -4.247 -13.801
   85    HA   ARG  12           HA       ARG  12   4.679  -3.936 -11.028
   86   1HB   ARG  12          2HB       ARG  12   6.299  -6.267 -12.077
   87   2HB   ARG  12          1HB       ARG  12   5.303  -6.211 -10.632
   88   1HG   ARG  12          2HG       ARG  12   3.367  -5.657 -12.351
   89   2HG   ARG  12          1HG       ARG  12   4.457  -6.421 -13.507
   90   1HD   ARG  12          2HD       ARG  12   4.554  -8.256 -11.477
   91   2HD   ARG  12          1HD       ARG  12   2.924  -7.637 -11.262
   92    HE   ARG  12           HE       ARG  12   2.373  -8.360 -13.522
   93   1HH1  ARG  12          1HH2      ARG  12   5.529  -9.306 -12.389
   94   2HH1  ARG  12          2HH2      ARG  12   5.719 -10.526 -13.597
   95   1HH2  ARG  12          1HH1      ARG  12   2.635  -9.951 -15.063
   96   2HH2  ARG  12          2HH1      ARG  12   4.085 -10.894 -15.105
   97    H    ARG  13           H        ARG  13   5.987  -3.338  -9.357
   98    HA   ARG  13           HA       ARG  13   8.951  -3.273  -9.785
   99   1HB   ARG  13          2HB       ARG  13   7.605  -1.016  -9.692
  100   2HB   ARG  13          1HB       ARG  13   7.453  -1.382  -7.978
  101   1HG   ARG  13          2HG       ARG  13   9.400  -0.087  -8.052
  102   2HG   ARG  13          1HG       ARG  13  10.020  -1.731  -8.016
  103   1HD   ARG  13          2HD       ARG  13  11.037  -1.455 -10.047
  104   2HD   ARG  13          1HD       ARG  13   9.574  -0.804 -10.773
  105    HE   ARG  13           HE       ARG  13  11.801   0.749  -9.867
  106   1HH1  ARG  13          1HH2      ARG  13   8.358   0.626  -9.974
  107   2HH1  ARG  13          2HH2      ARG  13   8.159   2.343  -9.886
  108   1HH2  ARG  13          1HH1      ARG  13  11.568   2.989  -9.769
  109   2HH2  ARG  13          2HH1      ARG  13   9.984   3.688  -9.762
  110    H    GLU  14           H        GLU  14   9.797  -4.762  -8.392
  111    HA   GLU  14           HA       GLU  14   8.272  -5.442  -5.934
  112   1HB   GLU  14          2HB       GLU  14  10.560  -7.047  -7.058
  113   2HB   GLU  14          1HB       GLU  14   9.234  -7.588  -6.025
  114   1HG   GLU  14          2HG       GLU  14   7.679  -6.929  -7.980
  115   2HG   GLU  14          1HG       GLU  14   9.142  -6.853  -8.953
  116    H    LEU  15           H        LEU  15   9.117  -4.906  -3.946
  117    HA   LEU  15           HA       LEU  15  12.031  -4.168  -3.778
  118   1HB   LEU  15          2HB       LEU  15  10.247  -3.036  -1.677
  119   2HB   LEU  15          1HB       LEU  15  11.570  -2.279  -2.539
  120    HG   LEU  15           HG       LEU  15   8.827  -2.751  -3.639
  121   1HD1  LEU  15          1HD1      LEU  15  10.094  -0.129  -2.789
  122   2HD1  LEU  15          2HD1      LEU  15   9.085  -1.072  -1.702
  123   3HD1  LEU  15          3HD1      LEU  15   8.410  -0.423  -3.185
  124   1HD2  LEU  15          1HD2      LEU  15  10.867  -0.807  -4.738
  125   2HD2  LEU  15          2HD2      LEU  15   9.519  -1.586  -5.575
  126   3HD2  LEU  15          3HD2      LEU  15  10.969  -2.505  -5.195
  127    H    ASP  16           H        ASP  16  12.800  -4.280  -1.544
  128    HA   ASP  16           HA       ASP  16  11.716  -6.668  -0.086
  129   1HB   ASP  16          2HB       ASP  16  14.149  -6.731  -0.815
  130   2HB   ASP  16          1HB       ASP  16  14.433  -5.310   0.188
  131    H    VAL  17           H        VAL  17  10.378  -5.927   1.589
  132    HA   VAL  17           HA       VAL  17  11.011  -3.257   2.822
  133    HB   VAL  17           HB       VAL  17   8.365  -4.789   2.827
  134   1HG1  VAL  17          1HG1      VAL  17   8.151  -3.294   4.562
  135   2HG1  VAL  17          2HG1      VAL  17   7.640  -2.266   3.230
  136   3HG1  VAL  17          3HG1      VAL  17   9.277  -2.128   3.865
  137   1HG2  VAL  17          1HG2      VAL  17   8.890  -4.199   0.556
  138   2HG2  VAL  17          2HG2      VAL  17   9.477  -2.624   1.017
  139   3HG2  VAL  17          3HG2      VAL  17   7.757  -2.981   1.123
  140    H    ALA  18           H        ALA  18  11.943  -3.430   4.784
  141    HA   ALA  18           HA       ALA  18  12.270  -5.948   6.086
  142   1HB   ALA  18          1HB       ALA  18  12.636  -3.440   7.674
  143   2HB   ALA  18          2HB       ALA  18  13.607  -3.618   6.214
  144   3HB   ALA  18          3HB       ALA  18  13.710  -4.827   7.496
  145    H    ASP  19           H        ASP  19  11.595  -6.502   8.217
  146    HA   ASP  19           HA       ASP  19   8.812  -6.473   8.631
  147   1HB   ASP  19          2HB       ASP  19   9.332  -7.370  10.859
  148   2HB   ASP  19          1HB       ASP  19  10.327  -8.141   9.632
  149    H    GLY  20           H        GLY  20   7.489  -5.216   9.753
  150   1HA   GLY  20          2HA       GLY  20   6.755  -3.444  11.166
  151   2HA   GLY  20          1HA       GLY  20   8.425  -3.208  11.649
  152    H    VAL  21           H        VAL  21   8.441  -3.111   8.266
  153    HA   VAL  21           HA       VAL  21   8.566  -0.159   8.383
  154    HB   VAL  21           HB       VAL  21   9.079  -2.096   6.125
  155   1HG1  VAL  21          1HG1      VAL  21  10.282  -0.110   5.144
  156   2HG1  VAL  21          2HG1      VAL  21   9.476   0.866   6.372
  157   3HG1  VAL  21          3HG1      VAL  21   8.523  -0.014   5.172
  158   1HG2  VAL  21          1HG2      VAL  21  10.674  -2.217   8.095
  159   2HG2  VAL  21          2HG2      VAL  21  11.134  -0.560   7.700
  160   3HG2  VAL  21          3HG2      VAL  21  11.401  -1.856   6.521
  161    H    SER  22           H        SER  22   7.192   1.151   7.017
  162    HA   SER  22           HA       SER  22   4.600  -0.114   6.424
  163   1HB   SER  22          2HB       SER  22   3.723   2.038   6.395
  164   2HB   SER  22          1HB       SER  22   5.115   2.296   7.443
  165    HG   SER  22           HG       SER  22   4.577   3.440   5.122
  166    H    LEU  23           H        LEU  23   3.879  -0.530   4.319
  167    HA   LEU  23           HA       LEU  23   5.622  -0.957   2.179
  168   1HB   LEU  23          2HB       LEU  23   2.695  -0.288   2.352
  169   2HB   LEU  23          1HB       LEU  23   3.449  -0.394   0.766
  170    HG   LEU  23           HG       LEU  23   2.312  -2.528   1.775
  171   1HD1  LEU  23          1HD1      LEU  23   3.893  -3.964   0.616
  172   2HD1  LEU  23          2HD1      LEU  23   5.126  -2.709   0.697
  173   3HD1  LEU  23          3HD1      LEU  23   3.686  -2.463  -0.281
  174   1HD2  LEU  23          1HD2      LEU  23   3.603  -3.891   3.216
  175   2HD2  LEU  23          2HD2      LEU  23   3.663  -2.296   3.954
  176   3HD2  LEU  23          3HD2      LEU  23   5.039  -2.901   3.030
  177    H    MET  24           H        MET  24   3.944   2.021   3.051
  178    HA   MET  24           HA       MET  24   4.736   3.529   0.764
  179   1HB   MET  24          2HB       MET  24   2.964   4.186   2.400
  180   2HB   MET  24          1HB       MET  24   4.230   4.527   3.572
  181   1HG   MET  24          2HG       MET  24   4.165   5.816   0.836
  182   2HG   MET  24          1HG       MET  24   3.353   6.532   2.218
  183   1HE   MET  24          1HE       MET  24   4.315   8.229   3.506
  184   2HE   MET  24          2HE       MET  24   5.907   8.178   4.257
  185   3HE   MET  24          3HE       MET  24   4.744   6.897   4.591
  186    H    GLN  25           H        GLN  25   6.279   3.025   3.937
  187    HA   GLN  25           HA       GLN  25   8.370   4.903   3.672
  188   1HB   GLN  25          2HB       GLN  25   8.124   2.290   5.133
  189   2HB   GLN  25          1HB       GLN  25   9.679   3.112   5.103
  190   1HG   GLN  25          2HG       GLN  25   8.713   5.099   6.099
  191   2HG   GLN  25          1HG       GLN  25   7.090   4.419   5.982
  192   1HE2  GLN  25          1HE2      GLN  25   6.507   4.002   8.133
  193   2HE2  GLN  25          2HE2      GLN  25   7.454   3.116   9.229
  194    H    ALA  26           H        ALA  26   8.522   1.392   2.828
  195    HA   ALA  26           HA       ALA  26  11.087   1.680   1.525
  196   1HB   ALA  26          1HB       ALA  26   8.909  -0.395   1.308
  197   2HB   ALA  26          2HB       ALA  26  10.417  -0.506   2.209
  198   3HB   ALA  26          3HB       ALA  26  10.446  -0.528   0.451
  199    H    ALA  27           H        ALA  27   7.810   2.263   0.365
  200    HA   ALA  27           HA       ALA  27   8.408   2.073  -2.425
  201   1HB   ALA  27          1HB       ALA  27   6.303   3.656  -0.934
  202   2HB   ALA  27          2HB       ALA  27   6.106   2.059  -1.655
  203   3HB   ALA  27          3HB       ALA  27   6.342   3.468  -2.688
  204    H    VAL  28           H        VAL  28   8.366   4.864  -0.173
  205    HA   VAL  28           HA       VAL  28   9.125   6.795  -2.168
  206    HB   VAL  28           HB       VAL  28   9.412   6.788   0.852
  207   1HG1  VAL  28          1HG1      VAL  28   9.625   9.316   0.473
  208   2HG1  VAL  28          2HG1      VAL  28   9.978   8.932  -1.203
  209   3HG1  VAL  28          3HG1      VAL  28  11.042   8.347   0.071
  210   1HG2  VAL  28          1HG2      VAL  28   7.098   6.758  -0.047
  211   2HG2  VAL  28          2HG2      VAL  28   7.469   8.187  -1.010
  212   3HG2  VAL  28          3HG2      VAL  28   7.466   8.287   0.742
  213    H    SER  29           H        SER  29  10.920   4.411  -0.403
  214    HA   SER  29           HA       SER  29  13.512   5.741  -0.776
  215   1HB   SER  29          2HB       SER  29  13.924   4.370   0.999
  216   2HB   SER  29          1HB       SER  29  12.415   3.522   0.702
  217    HG   SER  29           HG       SER  29  14.826   2.607   0.338
  218    H    ASN  30           H        ASN  30  11.436   3.643  -2.511
  219    HA   ASN  30           HA       ASN  30  13.631   2.796  -4.349
  220   1HB   ASN  30          2HB       ASN  30  10.809   1.800  -3.890
  221   2HB   ASN  30          1HB       ASN  30  11.800   1.286  -5.252
  222   1HD2  ASN  30          1HD2      ASN  30  12.164   1.634  -1.675
  223   2HD2  ASN  30          2HD2      ASN  30  13.019   0.182  -1.475
  224    H    GLY  31           H        GLY  31  12.097   5.502  -4.033
  225   1HA   GLY  31          2HA       GLY  31  11.274   7.107  -5.521
  226   2HA   GLY  31          1HA       GLY  31  12.070   6.165  -6.777
  227    H    ILE  32           H        ILE  32   9.275   5.327  -4.691
  228    HA   ILE  32           HA       ILE  32   7.684   4.889  -7.197
  229    HB   ILE  32           HB       ILE  32   7.664   3.350  -4.597
  230   1HG1  ILE  32          2HG1      ILE  32   8.429   2.496  -7.403
  231   2HG1  ILE  32          1HG1      ILE  32   9.588   3.027  -6.190
  232   1HG2  ILE  32          1HG2      ILE  32   6.058   2.896  -7.140
  233   2HG2  ILE  32          2HG2      ILE  32   5.398   3.438  -5.596
  234   3HG2  ILE  32          3HG2      ILE  32   6.091   1.821  -5.740
  235   1HD1  ILE  32          1HD1      ILE  32   8.480   1.218  -4.681
  236   2HD1  ILE  32          2HD1      ILE  32   9.617   0.717  -5.924
  237   3HD1  ILE  32          3HD1      ILE  32   7.884   0.556  -6.208
  238    H    TYR  33           H        TYR  33   7.457   5.861  -3.772
  239    HA   TYR  33           HA       TYR  33   4.712   6.888  -4.309
  240   1HB   TYR  33          2HB       TYR  33   6.036   5.699  -2.019
  241   2HB   TYR  33          1HB       TYR  33   5.383   7.268  -1.568
  242    HD1  TYR  33           1HD      TYR  33   4.355   4.284  -3.624
  243    HD2  TYR  33           2HD      TYR  33   3.182   7.281  -0.769
  244    HE1  TYR  33           1HE      TYR  33   2.085   3.292  -3.506
  245    HE2  TYR  33           2HE      TYR  33   0.916   6.287  -0.657
  246    HH   TYR  33           HH       TYR  33  -0.119   3.814  -2.878
  247    H    ASP  34           H        ASP  34   7.810   8.180  -4.568
  248    HA   ASP  34           HA       ASP  34   7.434  10.616  -3.077
  249   1HB   ASP  34          2HB       ASP  34   9.265  11.435  -4.704
  250   2HB   ASP  34          1HB       ASP  34   9.674  10.066  -3.661
  251    H    ILE  35           H        ILE  35   7.465  10.109  -6.604
  252    HA   ILE  35           HA       ILE  35   6.665  12.355  -7.760
  253    HB   ILE  35           HB       ILE  35   6.636  10.096  -8.845
  254   1HG1  ILE  35          2HG1      ILE  35   4.194  11.802  -9.418
  255   2HG1  ILE  35          1HG1      ILE  35   5.823  12.174  -9.978
  256   1HG2  ILE  35          1HG2      ILE  35   5.015   9.162  -7.099
  257   2HG2  ILE  35          2HG2      ILE  35   4.688   8.731  -8.773
  258   3HG2  ILE  35          3HG2      ILE  35   3.741   9.992  -7.985
  259   1HD1  ILE  35          1HD1      ILE  35   4.629  11.020 -11.759
  260   2HD1  ILE  35          2HD1      ILE  35   4.199   9.707 -10.663
  261   3HD1  ILE  35          3HD1      ILE  35   5.882   9.951 -11.127
  262    H    VAL  36           H        VAL  36   4.421  10.529  -5.682
  263    HA   VAL  36           HA       VAL  36   2.774  13.008  -5.436
  264    HB   VAL  36           HB       VAL  36   1.748  10.229  -6.094
  265   1HG1  VAL  36          1HG1      VAL  36  -0.533  11.361  -5.836
  266   2HG1  VAL  36          2HG1      VAL  36   0.312  12.637  -4.954
  267   3HG1  VAL  36          3HG1      VAL  36   0.323  10.988  -4.343
  268   1HG2  VAL  36          1HG2      VAL  36   1.065  12.893  -7.363
  269   2HG2  VAL  36          2HG2      VAL  36   0.777  11.277  -8.006
  270   3HG2  VAL  36          3HG2      VAL  36   2.416  11.910  -7.920
  271    H    GLY  37           H        GLY  37   2.726  13.490  -3.292
  272   1HA   GLY  37          2HA       GLY  37   2.274  11.352  -1.296
  273   2HA   GLY  37          1HA       GLY  37   3.790  12.239  -1.144
  274    H    ASP  38           H        ASP  38   0.382  12.348  -0.561
  275    HA   ASP  38           HA       ASP  38   0.200  15.219  -0.191
  276   1HB   ASP  38          2HB       ASP  38  -1.589  12.909   0.562
  277   2HB   ASP  38          1HB       ASP  38  -1.978  14.576   0.991
  278    H    CYS  39           H        CYS  39  -0.456  12.796   2.375
  279    HA   CYS  39           HA       CYS  39   0.557  14.742   4.344
  280   1HB   CYS  39          2HB       CYS  39  -0.461  13.426   5.999
  281   2HB   CYS  39          1HB       CYS  39  -1.535  13.259   4.619
  282    H    GLY  40           H        GLY  40   2.033  12.381   2.504
  283   1HA   GLY  40          2HA       GLY  40   4.228  11.536   2.650
  284   2HA   GLY  40          1HA       GLY  40   4.446  12.521   4.099
  285    H    GLY  41           H        GLY  41   1.675  10.551   4.233
  286   1HA   GLY  41          2HA       GLY  41   1.381   8.327   5.078
  287   2HA   GLY  41          1HA       GLY  41   3.092   8.261   5.479
  288    H    SER  42           H        SER  42   1.226  11.057   6.424
  289    HA   SER  42           HA       SER  42   1.702  10.360   9.259
  290   1HB   SER  42          2HB       SER  42   2.111  12.685   8.254
  291   2HB   SER  42          1HB       SER  42   0.359  12.850   8.178
  292    HG   SER  42           HG       SER  42   0.260  12.665  10.384
  293    H    ALA  43           H        ALA  43  -0.378   9.105   7.376
  294    HA   ALA  43           HA       ALA  43  -2.600   8.365   7.511
  295   1HB   ALA  43          1HB       ALA  43  -1.594   7.636   9.748
  296   2HB   ALA  43          2HB       ALA  43  -3.350   7.786   9.697
  297   3HB   ALA  43          3HB       ALA  43  -2.375   9.053  10.447
  298    H    SER  44           H        SER  44  -2.724  10.778   6.460
  299    HA   SER  44           HA       SER  44  -5.079  12.001   7.772
  300   1HB   SER  44          2HB       SER  44  -2.901  13.131   8.582
  301   2HB   SER  44          1HB       SER  44  -2.777  13.778   6.951
  302    HG   SER  44           HG       SER  44  -4.639  14.883   7.241
  303    H    CYS  45           H        CYS  45  -4.413  10.535   5.196
  304    HA   CYS  45           HA       CYS  45  -5.937  12.321   3.457
  305   1HB   CYS  45          2HB       CYS  45  -4.336  12.811   1.828
  306   2HB   CYS  45          1HB       CYS  45  -3.418  12.996   3.315
  307    H    ALA  46           H        ALA  46  -5.447  11.142   1.013
  308    HA   ALA  46           HA       ALA  46  -5.988   8.223   1.454
  309   1HB   ALA  46          1HB       ALA  46  -7.580  10.303   0.002
  310   2HB   ALA  46          2HB       ALA  46  -8.142   8.909   0.923
  311   3HB   ALA  46          3HB       ALA  46  -7.509   8.693  -0.704
  312    H    THR  47           H        THR  47  -3.863  10.356   0.205
  313    HA   THR  47           HA       THR  47  -3.427   9.643  -2.473
  314    HB   THR  47           HB       THR  47  -1.630  10.532  -0.234
  315    HG1  THR  47           1HG      THR  47  -2.981  11.587  -2.307
  316   1HG2  THR  47          1HG2      THR  47   0.174  10.728  -2.062
  317   2HG2  THR  47          2HG2      THR  47  -0.753   9.500  -2.928
  318   3HG2  THR  47          3HG2      THR  47  -0.077   9.143  -1.333
  319    H    CYS  48           H        CYS  48  -3.074   7.736   0.365
  320    HA   CYS  48           HA       CYS  48  -1.338   5.750  -0.992
  321   1HB   CYS  48          2HB       CYS  48  -1.558   4.600   1.282
  322   2HB   CYS  48          1HB       CYS  48  -0.698   6.134   1.249
  323    H    HIS  49           H        HIS  49  -4.019   6.183  -1.997
  324    HA   HIS  49           HA       HIS  49  -5.734   3.991  -1.106
  325   1HB   HIS  49          2HB       HIS  49  -6.789   5.941  -2.054
  326   2HB   HIS  49          1HB       HIS  49  -5.740   5.895  -3.451
  327    HD1  HIS  49           1HD      HIS  49  -8.241   3.414  -1.899
  328    HD2  HIS  49           2HD      HIS  49  -7.139   4.974  -5.602
  329    HE1  HIS  49           1HE      HIS  49  -9.762   2.317  -3.636
  330    HE2  HIS  49           2HE      HIS  49  -9.081   3.263  -5.875
  331    H    VAL  50           H        VAL  50  -4.939   1.921  -1.490
  332    HA   VAL  50           HA       VAL  50  -4.226   1.254  -4.308
  333    HB   VAL  50           HB       VAL  50  -2.134   0.354  -3.846
  334   1HG1  VAL  50          1HG1      VAL  50  -2.352   2.455  -1.669
  335   2HG1  VAL  50          2HG1      VAL  50  -2.146   2.809  -3.386
  336   3HG1  VAL  50          3HG1      VAL  50  -0.884   1.948  -2.505
  337   1HG2  VAL  50          1HG2      VAL  50  -2.576  -1.243  -2.157
  338   2HG2  VAL  50          2HG2      VAL  50  -3.152  -0.020  -1.021
  339   3HG2  VAL  50          3HG2      VAL  50  -1.431  -0.140  -1.396
  340    H    TYR  51           H        TYR  51  -4.061  -1.281  -4.475
  341    HA   TYR  51           HA       TYR  51  -6.196  -2.448  -2.747
  342   1HB   TYR  51          2HB       TYR  51  -5.517  -2.858  -5.645
  343   2HB   TYR  51          1HB       TYR  51  -6.722  -3.783  -4.795
  344    HD1  TYR  51           1HD      TYR  51  -8.354  -2.016  -3.280
  345    HD2  TYR  51           2HD      TYR  51  -6.345  -1.159  -7.000
  346    HE1  TYR  51           1HE      TYR  51  -9.877  -0.125  -3.676
  347    HE2  TYR  51           2HE      TYR  51  -7.916   0.684  -7.400
  348    HH   TYR  51           HH       TYR  51 -10.730   1.137  -5.768
  349    H    VAL  52           H        VAL  52  -5.351  -3.799  -1.442
  350    HA   VAL  52           HA       VAL  52  -2.821  -5.250  -1.997
  351    HB   VAL  52           HB       VAL  52  -4.464  -5.434   0.526
  352   1HG1  VAL  52          1HG1      VAL  52  -2.561  -7.077  -0.035
  353   2HG1  VAL  52          2HG1      VAL  52  -2.485  -6.264   1.521
  354   3HG1  VAL  52          3HG1      VAL  52  -1.482  -5.700   0.181
  355   1HG2  VAL  52          1HG2      VAL  52  -3.245  -3.612   1.450
  356   2HG2  VAL  52          2HG2      VAL  52  -3.797  -3.034  -0.110
  357   3HG2  VAL  52          3HG2      VAL  52  -2.128  -3.559   0.096
  358    H    ASN  53           H        ASN  53  -2.759  -7.395  -2.526
  359    HA   ASN  53           HA       ASN  53  -5.048  -8.799  -3.369
  360   1HB   ASN  53          2HB       ASN  53  -2.930  -9.635  -4.026
  361   2HB   ASN  53          1HB       ASN  53  -2.375  -9.785  -2.361
  362   1HD2  ASN  53          1HD2      ASN  53  -1.988 -12.084  -3.510
  363   2HD2  ASN  53          2HD2      ASN  53  -3.234 -13.214  -3.267
  364    H    GLU  54           H        GLU  54  -6.777  -9.351  -2.173
  365    HA   GLU  54           HA       GLU  54  -7.106  -9.144   0.551
  366   1HB   GLU  54          2HB       GLU  54  -9.042 -10.642   0.332
  367   2HB   GLU  54          1HB       GLU  54  -8.956  -9.514  -1.014
  368   1HG   GLU  54          2HG       GLU  54  -9.367 -11.565  -2.087
  369   2HG   GLU  54          1HG       GLU  54  -7.618 -11.404  -2.218
  370    H    ALA  55           H        ALA  55  -4.938 -11.312  -0.771
  371    HA   ALA  55           HA       ALA  55  -5.415 -13.478   1.161
  372   1HB   ALA  55          1HB       ALA  55  -4.630 -14.189  -0.969
  373   2HB   ALA  55          2HB       ALA  55  -3.274 -14.393   0.130
  374   3HB   ALA  55          3HB       ALA  55  -3.317 -13.012  -0.958
  375    H    PHE  56           H        PHE  56  -3.648 -10.463   1.197
  376    HA   PHE  56           HA       PHE  56  -1.942 -11.435   3.445
  377   1HB   PHE  56          2HB       PHE  56  -1.633  -9.242   1.396
  378   2HB   PHE  56          1HB       PHE  56  -0.553  -9.435   2.770
  379    HD1  PHE  56           1HD      PHE  56  -1.956 -11.271  -0.162
  380    HD2  PHE  56           2HD      PHE  56   1.290 -10.913   2.604
  381    HE1  PHE  56           1HE      PHE  56  -0.695 -13.000  -1.416
  382    HE2  PHE  56           2HE      PHE  56   2.539 -12.650   1.381
  383    HZ   PHE  56           HZ       PHE  56   1.556 -13.692  -0.640
  384    H    THR  57           H        THR  57  -4.609  -9.629   2.526
  385    HA   THR  57           HA       THR  57  -4.412  -7.359   4.307
  386    HB   THR  57           HB       THR  57  -6.917  -7.231   3.947
  387    HG1  THR  57           1HG      THR  57  -7.406  -9.352   3.617
  388   1HG2  THR  57          1HG2      THR  57  -5.595  -5.973   2.457
  389   2HG2  THR  57          2HG2      THR  57  -6.640  -6.924   1.412
  390   3HG2  THR  57          3HG2      THR  57  -4.963  -7.410   1.660
  391    H    ASP  58           H        ASP  58  -5.886 -10.583   4.589
  392    HA   ASP  58           HA       ASP  58  -6.889  -9.976   7.289
  393   1HB   ASP  58          2HB       ASP  58  -7.618 -12.388   7.226
  394   2HB   ASP  58          1HB       ASP  58  -8.257 -11.427   5.894
  395    H    LYS  59           H        LYS  59  -3.977 -10.634   6.019
  396    HA   LYS  59           HA       LYS  59  -3.020 -12.356   8.254
  397   1HB   LYS  59          2HB       LYS  59  -1.412 -11.308   5.930
  398   2HB   LYS  59          1HB       LYS  59  -1.110 -12.749   6.904
  399   1HG   LYS  59          2HG       LYS  59  -3.407 -12.341   4.947
  400   2HG   LYS  59          1HG       LYS  59  -1.996 -13.379   4.701
  401   1HD   LYS  59          2HD       LYS  59  -2.725 -14.512   6.927
  402   2HD   LYS  59          1HD       LYS  59  -4.273 -13.721   6.635
  403   1HE   LYS  59          2HE       LYS  59  -4.546 -14.867   4.530
  404   2HE   LYS  59          1HE       LYS  59  -2.902 -15.501   4.604
  405   1HZ   LYS  59          1HZ       LYS  59  -5.004 -16.878   5.405
  406   2HZ   LYS  59          2HZ       LYS  59  -4.624 -16.098   6.872
  407   3HZ   LYS  59          3HZ       LYS  59  -3.465 -17.070   6.096
  408    H    VAL  60           H        VAL  60  -2.297  -9.341   6.563
  409    HA   VAL  60           HA       VAL  60  -0.472  -8.406   8.638
  410    HB   VAL  60           HB       VAL  60  -1.157  -7.754   5.917
  411   1HG1  VAL  60          1HG1      VAL  60  -1.051  -5.257   7.608
  412   2HG1  VAL  60          2HG1      VAL  60  -2.501  -5.901   6.841
  413   3HG1  VAL  60          3HG1      VAL  60  -1.160  -5.356   5.855
  414   1HG2  VAL  60          1HG2      VAL  60   1.171  -7.184   7.714
  415   2HG2  VAL  60          2HG2      VAL  60   1.044  -6.305   6.207
  416   3HG2  VAL  60          3HG2      VAL  60   1.118  -8.059   6.189
  417    HA   PRO  61           HA       PRO  61  -3.243  -6.621  11.516
  418   1HB   PRO  61          2HB       PRO  61  -2.261  -3.909  11.525
  419   2HB   PRO  61          1HB       PRO  61  -1.898  -5.208  12.674
  420   1HG   PRO  61          2HG       PRO  61  -0.288  -4.193  10.447
  421   2HG   PRO  61          1HG       PRO  61   0.209  -5.161  11.844
  422   1HD   PRO  61          2HD       PRO  61   0.047  -6.137   9.273
  423   2HD   PRO  61          1HD       PRO  61  -0.064  -7.158  10.690
  424    H    ALA  62           H        ALA  62  -5.303  -6.310  10.986
  425    HA   ALA  62           HA       ALA  62  -6.408  -5.180   8.741
  426   1HB   ALA  62          1HB       ALA  62  -7.566  -5.250  11.544
  427   2HB   ALA  62          2HB       ALA  62  -7.702  -6.522  10.326
  428   3HB   ALA  62          3HB       ALA  62  -8.493  -4.968  10.065
  429    H    ALA  63           H        ALA  63  -7.274  -3.255   8.282
  430    HA   ALA  63           HA       ALA  63  -5.867  -0.902   9.120
  431   1HB   ALA  63          1HB       ALA  63  -7.093  -1.382   6.883
  432   2HB   ALA  63          2HB       ALA  63  -7.153   0.257   7.527
  433   3HB   ALA  63          3HB       ALA  63  -8.538  -0.817   7.724
  434    H    ASN  64           H        ASN  64  -6.329   0.584  10.620
  435    HA   ASN  64           HA       ASN  64  -8.335   0.006  12.638
  436   1HB   ASN  64          2HB       ASN  64  -7.560   2.396  13.463
  437   2HB   ASN  64          1HB       ASN  64  -6.463   1.024  13.569
  438   1HD2  ASN  64          1HD2      ASN  64  -6.583   4.199  12.541
  439   2HD2  ASN  64          2HD2      ASN  64  -5.338   4.159  11.389
  440    H    GLU  65           H        GLU  65  -9.877   1.694  13.406
  441    HA   GLU  65           HA       GLU  65 -11.800   2.287  11.401
  442   1HB   GLU  65          2HB       GLU  65 -12.971   3.547  13.160
  443   2HB   GLU  65          1HB       GLU  65 -12.361   2.017  13.787
  444   1HG   GLU  65          2HG       GLU  65 -10.327   3.260  14.615
  445   2HG   GLU  65          1HG       GLU  65 -11.130   4.760  14.154
  446    H    ARG  66           H        ARG  66  -8.971   4.124  12.242
  447    HA   ARG  66           HA       ARG  66 -10.109   6.670  11.407
  448   1HB   ARG  66          2HB       ARG  66  -7.224   5.775  11.723
  449   2HB   ARG  66          1HB       ARG  66  -7.751   7.431  11.443
  450   1HG   ARG  66          2HG       ARG  66  -9.255   7.070  13.552
  451   2HG   ARG  66          1HG       ARG  66  -8.188   5.707  13.876
  452   1HD   ARG  66          2HD       ARG  66  -6.438   7.859  13.290
  453   2HD   ARG  66          1HD       ARG  66  -7.700   8.540  14.324
  454    HE   ARG  66           HE       ARG  66  -6.509   5.980  15.197
  455   1HH1  ARG  66          1HH2      ARG  66  -6.686   9.432  15.447
  456   2HH1  ARG  66          2HH2      ARG  66  -5.976   9.478  17.017
  457   1HH2  ARG  66          1HH1      ARG  66  -5.558   6.043  17.232
  458   2HH2  ARG  66          2HH1      ARG  66  -5.336   7.559  18.035
  459    H    GLU  67           H        GLU  67  -8.326   4.014   9.924
  460    HA   GLU  67           HA       GLU  67  -7.831   5.331   7.411
  461   1HB   GLU  67          2HB       GLU  67  -8.114   2.358   7.930
  462   2HB   GLU  67          1HB       GLU  67  -7.236   3.127   6.612
  463   1HG   GLU  67          2HG       GLU  67  -5.807   4.261   8.376
  464   2HG   GLU  67          1HG       GLU  67  -6.557   3.192   9.554
  465    H    ILE  68           H        ILE  68 -10.433   3.240   8.623
  466    HA   ILE  68           HA       ILE  68 -11.825   2.865   6.186
  467    HB   ILE  68           HB       ILE  68 -13.099   3.262   8.916
  468   1HG1  ILE  68          2HG1      ILE  68 -11.964   0.760   7.619
  469   2HG1  ILE  68          1HG1      ILE  68 -11.270   1.602   9.003
  470   1HG2  ILE  68          1HG2      ILE  68 -14.620   3.209   6.911
  471   2HG2  ILE  68          2HG2      ILE  68 -14.877   1.858   8.009
  472   3HG2  ILE  68          3HG2      ILE  68 -13.975   1.615   6.520
  473   1HD1  ILE  68          1HD1      ILE  68 -13.895   0.117   8.854
  474   2HD1  ILE  68          2HD1      ILE  68 -13.536   1.255  10.156
  475   3HD1  ILE  68          3HD1      ILE  68 -12.535  -0.181   9.939
  476    H    GLY  69           H        GLY  69 -11.668   5.626   8.351
  477   1HA   GLY  69          2HA       GLY  69 -13.858   7.044   7.039
  478   2HA   GLY  69          1HA       GLY  69 -12.754   7.731   8.217
  479    H    MET  70           H        MET  70 -10.316   6.969   6.679
  480    HA   MET  70           HA       MET  70 -10.356   9.248   4.811
  481   1HB   MET  70          2HB       MET  70  -8.236   7.332   5.810
  482   2HB   MET  70          1HB       MET  70  -7.921   8.326   4.396
  483   1HG   MET  70          2HG       MET  70  -7.087   9.655   6.131
  484   2HG   MET  70          1HG       MET  70  -8.706  10.314   5.922
  485   1HE   MET  70          1HE       MET  70  -6.257   8.880   8.706
  486   2HE   MET  70          2HE       MET  70  -6.575   7.728   7.416
  487   3HE   MET  70          3HE       MET  70  -7.155   7.393   9.042
  488    H    LEU  71           H        LEU  71 -10.391   5.746   4.757
  489    HA   LEU  71           HA       LEU  71  -9.861   5.375   1.971
  490   1HB   LEU  71          2HB       LEU  71 -11.205   3.766   4.123
  491   2HB   LEU  71          1HB       LEU  71 -11.335   3.226   2.453
  492    HG   LEU  71           HG       LEU  71  -8.652   3.921   3.666
  493   1HD1  LEU  71          1HD1      LEU  71  -8.388   1.468   4.119
  494   2HD1  LEU  71          2HD1      LEU  71 -10.108   1.265   3.781
  495   3HD1  LEU  71          3HD1      LEU  71  -9.584   2.248   5.149
  496   1HD2  LEU  71          1HD2      LEU  71  -8.475   3.659   1.306
  497   2HD2  LEU  71          2HD2      LEU  71  -9.610   2.320   1.281
  498   3HD2  LEU  71          3HD2      LEU  71  -7.999   2.088   1.940
  499    H    GLU  72           H        GLU  72 -12.760   6.325   3.733
  500    HA   GLU  72           HA       GLU  72 -14.521   5.934   1.441
  501   1HB   GLU  72          2HB       GLU  72 -15.557   5.857   3.602
  502   2HB   GLU  72          1HB       GLU  72 -14.767   7.346   4.123
  503   1HG   GLU  72          2HG       GLU  72 -17.237   7.547   3.500
  504   2HG   GLU  72          1HG       GLU  72 -16.156   8.681   2.694
  505    H    CYS  73           H        CYS  73 -12.068   8.004   2.140
  506    HA   CYS  73           HA       CYS  73 -13.247  10.347   0.687
  507   1HB   CYS  73          2HB       CYS  73 -11.600  10.119   2.990
  508   2HB   CYS  73          1HB       CYS  73 -10.583  10.841   1.750
  509    HG   CYS  73           HG       CYS  73 -12.727  12.302   3.220
  510    H    VAL  74           H        VAL  74 -11.831   7.662  -0.423
  511    HA   VAL  74           HA       VAL  74  -9.539   8.739  -1.828
  512    HB   VAL  74           HB       VAL  74  -9.516   6.565  -2.944
  513   1HG1  VAL  74          1HG1      VAL  74  -9.491   5.145  -0.837
  514   2HG1  VAL  74          2HG1      VAL  74 -10.139   6.539   0.016
  515   3HG1  VAL  74          3HG1      VAL  74  -8.554   6.631  -0.729
  516   1HG2  VAL  74          1HG2      VAL  74 -12.282   6.604  -2.754
  517   2HG2  VAL  74          2HG2      VAL  74 -11.874   5.524  -1.438
  518   3HG2  VAL  74          3HG2      VAL  74 -11.338   5.159  -3.077
  519    H    THR  75           H        THR  75  -9.367   8.722  -4.220
  520    HA   THR  75           HA       THR  75 -11.709  10.026  -5.442
  521    HB   THR  75           HB       THR  75  -9.937  10.052  -7.450
  522    HG1  THR  75           1HG      THR  75  -8.484   8.672  -6.446
  523   1HG2  THR  75          1HG2      THR  75  -9.359  11.726  -5.008
  524   2HG2  THR  75          2HG2      THR  75 -10.752  12.012  -6.049
  525   3HG2  THR  75          3HG2      THR  75  -9.122  12.142  -6.703
  526    H    ALA  76           H        ALA  76  -9.987   6.874  -5.750
  527    HA   ALA  76           HA       ALA  76 -11.590   6.275  -8.172
  528   1HB   ALA  76          1HB       ALA  76  -9.253   4.997  -6.774
  529   2HB   ALA  76          2HB       ALA  76  -9.385   5.544  -8.442
  530   3HB   ALA  76          3HB       ALA  76 -10.205   4.069  -7.935
  531    H    GLU  77           H        GLU  77 -12.266   3.733  -8.082
  532    HA   GLU  77           HA       GLU  77 -14.454   3.583  -6.257
  533   1HB   GLU  77          2HB       GLU  77 -14.975   2.341  -8.109
  534   2HB   GLU  77          1HB       GLU  77 -13.281   2.079  -8.486
  535   1HG   GLU  77          2HG       GLU  77 -13.161   0.177  -7.009
  536   2HG   GLU  77          1HG       GLU  77 -14.748   0.537  -6.328
  537    H    LEU  78           H        LEU  78 -14.391   2.876  -4.155
  538    HA   LEU  78           HA       LEU  78 -11.936   1.646  -3.106
  539   1HB   LEU  78          2HB       LEU  78 -13.681   3.232  -1.865
  540   2HB   LEU  78          1HB       LEU  78 -14.489   1.705  -1.516
  541    HG   LEU  78           HG       LEU  78 -12.200   0.857  -0.701
  542   1HD1  LEU  78          1HD1      LEU  78 -11.346   3.352  -1.717
  543   2HD1  LEU  78          2HD1      LEU  78 -10.395   2.176  -0.858
  544   3HD1  LEU  78          3HD1      LEU  78 -11.187   3.476   0.018
  545   1HD2  LEU  78          1HD2      LEU  78 -13.139   3.171   0.970
  546   2HD2  LEU  78          2HD2      LEU  78 -12.622   1.565   1.477
  547   3HD2  LEU  78          3HD2      LEU  78 -14.196   1.782   0.728
  548    H    LYS  79           H        LYS  79 -11.757  -0.327  -2.164
  549    HA   LYS  79           HA       LYS  79 -13.520  -2.440  -3.313
  550   1HB   LYS  79          2HB       LYS  79 -10.604  -2.119  -2.726
  551   2HB   LYS  79          1HB       LYS  79 -11.266  -3.750  -2.691
  552   1HG   LYS  79          2HG       LYS  79 -11.691  -1.898  -5.038
  553   2HG   LYS  79          1HG       LYS  79 -10.261  -2.910  -4.915
  554   1HD   LYS  79          2HD       LYS  79 -11.817  -4.903  -4.627
  555   2HD   LYS  79          1HD       LYS  79 -13.141  -3.833  -5.084
  556   1HE   LYS  79          2HE       LYS  79 -12.275  -5.067  -7.040
  557   2HE   LYS  79          1HE       LYS  79 -12.025  -3.330  -7.211
  558   1HZ   LYS  79          1HZ       LYS  79  -9.974  -5.200  -6.162
  559   2HZ   LYS  79          2HZ       LYS  79  -9.764  -3.560  -6.560
  560   3HZ   LYS  79          3HZ       LYS  79 -10.059  -4.701  -7.783
  561    HA   PRO  80           HA       PRO  80 -14.617  -3.618   0.818
  562   1HB   PRO  80          2HB       PRO  80 -14.347  -6.400   0.685
  563   2HB   PRO  80          1HB       PRO  80 -15.764  -5.498   0.118
  564   1HG   PRO  80          2HG       PRO  80 -13.462  -6.579  -1.434
  565   2HG   PRO  80          1HG       PRO  80 -15.182  -6.512  -1.862
  566   1HD   PRO  80          2HD       PRO  80 -13.389  -4.761  -2.898
  567   2HD   PRO  80          1HD       PRO  80 -15.063  -4.278  -2.539
  568    H    ASN  81           H        ASN  81 -11.705  -4.944  -0.619
  569    HA   ASN  81           HA       ASN  81 -10.404  -5.114   2.065
  570   1HB   ASN  81          2HB       ASN  81  -9.150  -6.887   1.295
  571   2HB   ASN  81          1HB       ASN  81 -10.509  -7.057   0.186
  572   1HD2  ASN  81          1HD2      ASN  81 -10.163  -6.417  -2.062
  573   2HD2  ASN  81          2HD2      ASN  81  -8.610  -6.125  -2.676
  574    H    SER  82           H        SER  82 -10.795  -2.583   0.279
  575    HA   SER  82           HA       SER  82  -8.215  -1.880  -0.746
  576   1HB   SER  82          2HB       SER  82 -10.716  -0.802  -0.793
  577   2HB   SER  82          1HB       SER  82  -9.885   0.285   0.302
  578    HG   SER  82           HG       SER  82  -8.887   1.063  -1.332
  579    H    ARG  83           H        ARG  83  -6.590  -0.711   0.221
  580    HA   ARG  83           HA       ARG  83  -6.748  -0.289   3.201
  581   1HB   ARG  83          2HB       ARG  83  -4.626  -1.747   1.627
  582   2HB   ARG  83          1HB       ARG  83  -4.351  -1.171   3.263
  583   1HG   ARG  83          2HG       ARG  83  -6.847  -2.777   2.863
  584   2HG   ARG  83          1HG       ARG  83  -5.341  -3.662   2.675
  585   1HD   ARG  83          2HD       ARG  83  -4.873  -3.564   4.910
  586   2HD   ARG  83          1HD       ARG  83  -5.446  -1.910   5.079
  587    HE   ARG  83           HE       ARG  83  -7.796  -2.897   4.996
  588   1HH1  ARG  83          1HH2      ARG  83  -5.071  -4.814   6.006
  589   2HH1  ARG  83          2HH2      ARG  83  -6.032  -5.853   6.994
  590   1HH2  ARG  83          1HH1      ARG  83  -9.011  -4.239   6.303
  591   2HH2  ARG  83          2HH1      ARG  83  -8.246  -5.532   7.166
  592    H    LEU  84           H        LEU  84  -4.583   0.801   3.916
  593    HA   LEU  84           HA       LEU  84  -3.959   3.039   2.024
  594   1HB   LEU  84          2HB       LEU  84  -3.928   3.051   5.057
  595   2HB   LEU  84          1HB       LEU  84  -3.555   4.423   4.017
  596    HG   LEU  84           HG       LEU  84  -6.225   2.996   4.236
  597   1HD1  LEU  84          1HD1      LEU  84  -5.534   5.879   4.837
  598   2HD1  LEU  84          2HD1      LEU  84  -5.517   4.613   6.066
  599   3HD1  LEU  84          3HD1      LEU  84  -7.020   5.019   5.239
  600   1HD2  LEU  84          1HD2      LEU  84  -6.863   5.098   2.742
  601   2HD2  LEU  84          2HD2      LEU  84  -6.212   3.647   1.987
  602   3HD2  LEU  84          3HD2      LEU  84  -5.164   5.031   2.284
  603    H    CYS  85           H        CYS  85  -2.023   2.749   1.202
  604    HA   CYS  85           HA       CYS  85  -0.091   0.885   1.885
  605   1HB   CYS  85          2HB       CYS  85  -0.380   2.637  -0.107
  606   2HB   CYS  85          1HB       CYS  85   0.866   3.496   0.786
  607    HG   CYS  85           HG       CYS  85   1.408   0.506   0.168
  608    H    CYS  86           H        CYS  86  -0.420   4.138   3.312
  609    HA   CYS  86           HA       CYS  86   2.202   3.912   4.615
  610   1HB   CYS  86          2HB       CYS  86   1.789   6.086   5.501
  611   2HB   CYS  86          1HB       CYS  86   1.200   6.096   3.842
  612    H    GLN  87           H        GLN  87  -0.288   2.085   5.321
  613    HA   GLN  87           HA       GLN  87   0.210   2.293   8.269
  614   1HB   GLN  87          2HB       GLN  87  -2.552   1.889   7.098
  615   2HB   GLN  87          1HB       GLN  87  -2.127   2.140   8.800
  616   1HG   GLN  87          2HG       GLN  87  -1.088   4.369   8.037
  617   2HG   GLN  87          1HG       GLN  87  -1.944   4.119   6.517
  618   1HE2  GLN  87          1HE2      GLN  87  -3.514   5.778   6.753
  619   2HE2  GLN  87          2HE2      GLN  87  -4.679   5.783   7.990
  620    H    ILE  88           H        ILE  88   0.814   0.454   5.884
  621    HA   ILE  88           HA       ILE  88  -0.089  -2.127   7.168
  622    HB   ILE  88           HB       ILE  88   0.507  -1.454   4.276
  623   1HG1  ILE  88          2HG1      ILE  88  -1.788  -2.907   5.631
  624   2HG1  ILE  88          1HG1      ILE  88  -1.788  -1.183   5.270
  625   1HG2  ILE  88          1HG2      ILE  88   0.740  -4.088   5.696
  626   2HG2  ILE  88          2HG2      ILE  88   1.664  -3.469   4.337
  627   3HG2  ILE  88          3HG2      ILE  88   0.038  -4.079   4.080
  628   1HD1  ILE  88          1HD1      ILE  88  -1.200  -3.098   3.033
  629   2HD1  ILE  88          2HD1      ILE  88  -1.990  -1.520   2.985
  630   3HD1  ILE  88          3HD1      ILE  88  -2.861  -2.926   3.600
  631    H    ILE  89           H        ILE  89   1.427  -3.334   8.119
  632    HA   ILE  89           HA       ILE  89   4.298  -2.631   7.786
  633    HB   ILE  89           HB       ILE  89   2.616  -3.862   9.941
  634   1HG1  ILE  89          2HG1      ILE  89   3.903  -2.374  11.370
  635   2HG1  ILE  89          1HG1      ILE  89   5.020  -2.018  10.049
  636   1HG2  ILE  89          1HG2      ILE  89   4.195  -5.645   9.791
  637   2HG2  ILE  89          2HG2      ILE  89   4.775  -4.619  11.100
  638   3HG2  ILE  89          3HG2      ILE  89   5.541  -4.539   9.507
  639   1HD1  ILE  89          1HD1      ILE  89   3.427  -0.756   8.874
  640   2HD1  ILE  89          2HD1      ILE  89   3.097  -0.327  10.550
  641   3HD1  ILE  89          3HD1      ILE  89   2.069  -1.495   9.721
  642    H    MET  90           H        MET  90   5.461  -3.873   6.444
  643    HA   MET  90           HA       MET  90   4.490  -6.456   5.553
  644   1HB   MET  90          2HB       MET  90   5.922  -4.741   4.218
  645   2HB   MET  90          1HB       MET  90   7.291  -5.496   5.040
  646   1HG   MET  90          2HG       MET  90   6.958  -6.657   2.943
  647   2HG   MET  90          1HG       MET  90   6.431  -7.733   4.228
  648   1HE   MET  90          1HE       MET  90   4.795  -9.223   3.458
  649   2HE   MET  90          2HE       MET  90   3.121  -8.783   3.129
  650   3HE   MET  90          3HE       MET  90   3.827  -8.403   4.690
  651    H    THR  91           H        THR  91   5.750  -8.443   5.727
  652    HA   THR  91           HA       THR  91   7.719  -8.620   7.916
  653    HB   THR  91           HB       THR  91   6.389 -10.554   8.917
  654    HG1  THR  91           1HG      THR  91   4.865 -10.930   7.402
  655   1HG2  THR  91          1HG2      THR  91   6.574  -8.289   9.938
  656   2HG2  THR  91          2HG2      THR  91   5.052  -9.095  10.309
  657   3HG2  THR  91          3HG2      THR  91   5.101  -7.826   9.085
  658    HA   PRO  92           HA       PRO  92   9.423 -11.547   5.090
  659   1HB   PRO  92          2HB       PRO  92  10.411 -13.466   6.873
  660   2HB   PRO  92          1HB       PRO  92  11.258 -11.987   6.403
  661   1HG   PRO  92          2HG       PRO  92   9.656 -12.556   8.851
  662   2HG   PRO  92          1HG       PRO  92  11.134 -11.595   8.668
  663   1HD   PRO  92          2HD       PRO  92   8.715 -10.429   8.942
  664   2HD   PRO  92          1HD       PRO  92   9.976  -9.712   7.916
  665    H    GLU  93           H        GLU  93   7.573 -13.036   7.766
  666    HA   GLU  93           HA       GLU  93   6.993 -15.485   6.474
  667   1HB   GLU  93          2HB       GLU  93   4.843 -15.400   7.906
  668   2HB   GLU  93          1HB       GLU  93   6.386 -15.345   8.757
  669   1HG   GLU  93          2HG       GLU  93   6.237 -12.967   9.051
  670   2HG   GLU  93          1HG       GLU  93   4.853 -12.861   7.963
  671    H    LEU  94           H        LEU  94   5.395 -12.329   6.203
  672    HA   LEU  94           HA       LEU  94   3.418 -13.462   4.337
  673   1HB   LEU  94          2HB       LEU  94   3.766 -10.849   5.729
  674   2HB   LEU  94          1HB       LEU  94   2.887 -10.789   4.230
  675    HG   LEU  94           HG       LEU  94   2.213 -12.773   6.417
  676   1HD1  LEU  94          1HD1      LEU  94   0.636 -10.257   5.948
  677   2HD1  LEU  94          2HD1      LEU  94   2.018 -10.228   7.037
  678   3HD1  LEU  94          3HD1      LEU  94   0.660 -11.299   7.362
  679   1HD2  LEU  94          1HD2      LEU  94   0.226 -11.711   4.437
  680   2HD2  LEU  94          2HD2      LEU  94   0.343 -13.309   5.161
  681   3HD2  LEU  94          3HD2      LEU  94   1.408 -12.860   3.848
  682    H    ASP  95           H        ASP  95   6.398 -13.211   3.733
  683    HA   ASP  95           HA       ASP  95   6.836 -11.283   1.718
  684   1HB   ASP  95          2HB       ASP  95   8.571 -12.861   0.875
  685   2HB   ASP  95          1HB       ASP  95   8.639 -12.672   2.621
  686    H    GLY  96           H        GLY  96   6.379 -11.216  -0.469
  687   1HA   GLY  96          2HA       GLY  96   5.797 -12.295  -2.597
  688   2HA   GLY  96          1HA       GLY  96   4.852 -13.479  -1.704
  689    H    ILE  97           H        ILE  97   4.300 -10.642  -0.235
  690    HA   ILE  97           HA       ILE  97   1.578 -10.450  -0.862
  691    HB   ILE  97           HB       ILE  97   2.232  -9.305   1.058
  692   1HG1  ILE  97          2HG1      ILE  97   1.844  -6.869   0.762
  693   2HG1  ILE  97          1HG1      ILE  97   1.967  -7.038  -0.972
  694   1HG2  ILE  97          1HG2      ILE  97   4.583  -8.661  -0.558
  695   2HG2  ILE  97          2HG2      ILE  97   4.466  -8.867   1.162
  696   3HG2  ILE  97          3HG2      ILE  97   4.087  -7.312   0.431
  697   1HD1  ILE  97          1HD1      ILE  97   0.032  -8.936  -0.221
  698   2HD1  ILE  97          2HD1      ILE  97  -0.271  -7.362  -0.946
  699   3HD1  ILE  97          3HD1      ILE  97  -0.275  -7.543   0.800
  700    H    VAL  98           H        VAL  98   0.381  -9.624  -2.506
  701    HA   VAL  98           HA       VAL  98   1.833  -8.100  -4.649
  702    HB   VAL  98           HB       VAL  98  -0.910  -9.304  -4.943
  703   1HG1  VAL  98          1HG1      VAL  98   1.350  -8.867  -6.916
  704   2HG1  VAL  98          2HG1      VAL  98   0.003  -7.754  -6.678
  705   3HG1  VAL  98          3HG1      VAL  98  -0.293  -9.380  -7.293
  706   1HG2  VAL  98          1HG2      VAL  98   0.433 -11.141  -4.132
  707   2HG2  VAL  98          2HG2      VAL  98   1.773 -10.692  -5.187
  708   3HG2  VAL  98          3HG2      VAL  98   0.280 -11.330  -5.873
  709    H    VAL  99           H        VAL  99   1.497  -5.915  -4.605
  710    HA   VAL  99           HA       VAL  99  -1.033  -4.858  -3.397
  711    HB   VAL  99           HB       VAL  99   1.388  -3.190  -4.088
  712   1HG1  VAL  99          1HG1      VAL  99  -0.719  -3.096  -1.899
  713   2HG1  VAL  99          2HG1      VAL  99  -0.645  -2.059  -3.322
  714   3HG1  VAL  99          3HG1      VAL  99   0.598  -1.935  -2.079
  715   1HG2  VAL  99          1HG2      VAL  99   2.325  -5.068  -2.847
  716   2HG2  VAL  99          2HG2      VAL  99   1.081  -4.910  -1.606
  717   3HG2  VAL  99          3HG2      VAL  99   2.288  -3.641  -1.819
  718    H    ASP 100           H        ASP 100  -2.431  -3.900  -4.741
  719    HA   ASP 100           HA       ASP 100  -1.607  -3.306  -7.545
  720   1HB   ASP 100          2HB       ASP 100  -4.057  -4.336  -6.266
  721   2HB   ASP 100          1HB       ASP 100  -4.339  -3.186  -7.577
  722    H    VAL 101           H        VAL 101  -1.259  -1.274  -8.038
  723    HA   VAL 101           HA       VAL 101  -2.266   0.873  -6.284
  724    HB   VAL 101           HB       VAL 101  -0.442   1.154  -8.674
  725   1HG1  VAL 101          1HG1      VAL 101  -0.930   3.316  -7.951
  726   2HG1  VAL 101          2HG1      VAL 101   0.512   2.961  -7.008
  727   3HG1  VAL 101          3HG1      VAL 101  -1.080   2.836  -6.264
  728   1HG2  VAL 101          1HG2      VAL 101   1.425   0.908  -6.979
  729   2HG2  VAL 101          2HG2      VAL 101   0.546  -0.578  -7.329
  730   3HG2  VAL 101          3HG2      VAL 101   0.215   0.308  -5.841
  731    HA   PRO 102           HA       PRO 102  -5.165   1.860  -9.603
  732   1HB   PRO 102          2HB       PRO 102  -6.412   3.997  -8.509
  733   2HB   PRO 102          1HB       PRO 102  -6.514   2.387  -7.787
  734   1HG   PRO 102          2HG       PRO 102  -5.083   4.754  -6.816
  735   2HG   PRO 102          1HG       PRO 102  -5.583   3.296  -5.941
  736   1HD   PRO 102          2HD       PRO 102  -2.967   3.908  -7.108
  737   2HD   PRO 102          1HD       PRO 102  -3.420   2.586  -6.018
  738    H    ASP 103           H        ASP 103  -6.053   3.904 -10.813
  739    HA   ASP 103           HA       ASP 103  -3.745   5.328 -11.975
  740   1HB   ASP 103          2HB       ASP 103  -6.679   5.583 -12.682
  741   2HB   ASP 103          1HB       ASP 103  -5.296   6.044 -13.680
  742    H    ARG 104           H        ARG 104  -6.306   5.834  -9.719
  743    HA   ARG 104           HA       ARG 104  -5.517   8.700  -9.423
  744   1HB   ARG 104          2HB       ARG 104  -7.954   7.792 -10.448
  745   2HB   ARG 104          1HB       ARG 104  -8.342   8.027  -8.752
  746   1HG   ARG 104          2HG       ARG 104  -7.874  10.342  -8.836
  747   2HG   ARG 104          1HG       ARG 104  -6.917  10.199 -10.305
  748   1HD   ARG 104          2HD       ARG 104  -9.909   9.745 -10.117
  749   2HD   ARG 104          1HD       ARG 104  -9.124  11.175 -10.804
  750    HE   ARG 104           HE       ARG 104  -8.202   8.706 -12.021
  751   1HH1  ARG 104          1HH2      ARG 104 -10.706  11.063 -11.908
  752   2HH1  ARG 104          2HH2      ARG 104 -11.123  10.917 -13.577
  753   1HH2  ARG 104          1HH1      ARG 104  -8.724   8.493 -14.232
  754   2HH2  ARG 104          2HH1      ARG 104  -9.993   9.461 -14.903
  755    H    GLN 105           H        GLN 105  -4.723   8.956  -7.368
  756    HA   GLN 105           HA       GLN 105  -5.937   7.300  -5.200
  757   1HB   GLN 105          2HB       GLN 105  -3.422   7.595  -4.248
  758   2HB   GLN 105          1HB       GLN 105  -3.879   6.227  -5.256
  759   1HG   GLN 105          2HG       GLN 105  -1.781   7.297  -6.036
  760   2HG   GLN 105          1HG       GLN 105  -3.051   7.381  -7.250
  761   1HE2  GLN 105          1HE2      GLN 105  -3.045   9.403  -8.230
  762   2HE2  GLN 105          2HE2      GLN 105  -2.745  10.874  -7.438
  763    H    TRP 106           H        TRP 106  -4.542  10.270  -6.336
  764    HA   TRP 106           HA       TRP 106  -4.221  11.779  -3.992
  765   1HB   TRP 106          2HB       TRP 106  -3.641  13.073  -5.824
  766   2HB   TRP 106          1HB       TRP 106  -4.927  12.409  -6.824
  767    HD1  TRP 106           HD       TRP 106  -7.290  13.546  -6.717
  768    HE1  TRP 106           1HE      TRP 106  -8.115  15.808  -5.844
  769    HE3  TRP 106           3HE      TRP 106  -3.214  14.937  -3.992
  770    HZ2  TRP 106           2HZ      TRP 106  -7.150  17.967  -4.207
  771    HZ3  TRP 106           3HZ      TRP 106  -3.189  17.104  -2.788
  772    HH2  TRP 106           HH       TRP 106  -5.150  18.619  -2.891