*HEADER    ELECTRON TRANSPORT                      14-JAN-05   1YJI              
*TITLE     RDC-REFINED SOLUTION NMR STRUCTURE OF REDUCED 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, 11 STRUCTURES                                                    
*AUTHOR    N.U.JAIN, E.TJIOE, A.SAVIDOR, J.BOULIE                                
*REVDAT   1   28-JUN-05 1YJI    0                                                


!NOE table for reduced 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 reduced 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) 3.6  0.5  0.5 
assign (resid 40 and name N) (resid 107 and name FE1) 4.4  0.5  0.5 
assign (resid 41 and name N) (resid 107 and name FE1) 4.9  0.5  0.5 
assign (resid 42 and name N) (resid 107 and name FE1) 3.9  0.5  0.5 
assign (resid 43 and name N) (resid 107 and name FE1) 5.3  0.5  0.5 
assign (resid 44 and name N) (resid 107 and name FE1) 3.8  0.5  0.5 
assign (resid 45 and name N) (resid 107 and name FE1) 3.7  0.5  0.5 
assign (resid 46 and name N) (resid 107 and name FE1) 5.1  0.5  0.5 
assign (resid 47 and name N) (resid 107 and name FE1) 4.2  0.5  0.5 
assign (resid 48 and name N) (resid 107 and name FE2) 3.2  0.5  0.5 
assign (resid 84 and name N) (resid 107 and name FE2) 5.2  0.5  0.5 
assign (resid 85 and name N) (resid 107 and name FE2) 4.5  0.5  0.5 
assign (resid 86 and name N) (resid 107 and name FE2) 2.9  0.5  0.5 
assign (resid 87 and name N) (resid 107 and name FE2) 4.0  0.5  0.5 

! 13C - FE reduced constraints 
! ------------------------------------------------------------
assign (resid 38 and name C) (resid 107 and name FE1) 5.1  0.5  0.5 
assign (resid 39 and name C) (resid 107 and name FE1) 4.8  0.5  0.5 
assign (resid 40 and name C) (resid 107 and name FE1) 4.7  0.5  0.5 
assign (resid 41 and name C) (resid 107 and name FE2) 4.5  0.5  0.5 
assign (resid 42 and name C) (resid 107 and name FE1) 4.6  0.5  0.5 
assign (resid 43 and name C) (resid 107 and name FE1) 4.9  0.5  0.5 
assign (resid 44 and name C) (resid 107 and name FE1) 4.8  0.5  0.5 
assign (resid 45 and name C) (resid 107 and name FE1) 4.3  0.5  0.5 
assign (resid 46 and name C) (resid 107 and name FE1) 5.1  0.5  0.5 
assign (resid 48 and name C) (resid 107 and name FE2) 4.3  0.5  0.5 
assign (resid 84 and name C) (resid 107 and name FE2) 3.9  0.5  0.5 
assign (resid 85 and name C) (resid 107 and name FE2) 3.7  0.5  0.5 
assign (resid 86 and name C) (resid 107 and name FE2) 4.5  0.5  0.5 

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)
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!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*)
    5.00     3.20     0.30
assign (resid 8 and name hb*)
 (resid 103 and name hn)
    5.00     3.20     0.30
assign (resid 9 and name hn)
 (resid 10 and name hn)
    4.00     2.20     0.30
assign (resid 9 and name ha)
 (resid 10 and name hn)
    3.00     1.20     0.30
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)
    4.00     2.20     0.30
assign (resid 11 and name ha)
 (resid 12 and name hn)
    3.00     1.20     0.30
assign (resid 11 and name hb)
 (resid 12 and name hn)
    4.00     1.20     0.30
assign (resid 11 and name hg2*)
 (resid 12 and name hn)
    3.00     1.20     0.30
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)
    5.00     3.20     0.30
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)
    4.00     2.20     0.30
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*)
    5.00     3.20     0.30
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*)
    4.00     2.20     0.30
assign (resid 13 and name he)
 (resid 32 and name hd1*)
    5.00     3.20     0.30
assign (resid 13 and name hh1*)
 (resid 32 and name hg2*)
    4.00     2.20     0.30
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)
    4.00     2.20     0.30
assign (resid 15 and name hd2*)
 (resid 16 and name hn)
    5.00     2.20     0.30
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*)
    6.00     4.20     0.30
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*)
    3.00     1.20     0.30
assign (resid 15 and name hb2)
 (resid 32 and name hd1*)
    5.00     3.20     0.30
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*)
    5.00     3.20     0.30
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*)
    3.00     1.20     0.30
assign (resid 17 and name hb)
 (resid 90 and name hg*)
    4.00     2.20     0.30
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*)
    5.00     3.20     0.30
assign (resid 18 and name hn)
 (resid 19 and name hn)
    5.00     3.20     0.30
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)
    3.00     1.20     0.30
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)
    5.00     3.20     0.30
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*)
    5.00     3.20     0.30
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)
    4.00     2.20     0.30
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)
    4.00     2.20     0.30
assign (resid 19 and name ha)
 (resid 20 and name hn)
    3.00     1.20     0.30
assign (resid 19 and name hb*)
 (resid 20 and name hn)
    4.00     2.20     0.30
assign (resid 19 and name ha)
 (resid 21 and name hn)
    4.00     2.20     0.30
assign (resid 19 and name ha)
 (resid 89 and name hg2*)
    3.00     1.20     0.30
assign (resid 19 and name ha)
 (resid 90 and name hb*)
    5.00     3.20     0.30
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)
    5.00     3.20     0.30
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)
    3.00     1.20     0.30
assign (resid 20 and name ha2)
 (resid 89 and name hg2*)
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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*)
 (resid 22 and name hn)
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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*)
 (resid 25 and name hb*)
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assign (resid 21 and name hb)
 (resid 26 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)
 (resid 89 and name hg2*)
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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)
 (resid 25 and name hb*)
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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)
    5.00     3.20     0.30
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)
    3.00     1.20     0.30
assign (resid 22 and name ha)
 (resid 89 and name hn)
    4.00     2.20     0.30
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)
    4.00     2.20     0.30
assign (resid 23 and name ha)
 (resid 26 and name hb*)
    4.00     2.20     0.30
!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)
    4.00     2.20     0.30
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)
    4.00     2.20     0.30
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*)
    5.00     3.20     0.30
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)
 (resid 32 and name hd1*)
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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*)
! (resid 33 and name he*)
!    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)
    5.00     3.20     0.30
assign (resid 28 and name ha)
 (resid 32 and name hn)
    5.00     3.20     0.30
assign (resid 29 and name hn)
 (resid 30 and name hn)
     3.00     1.20     0.30
assign (resid 29 and name ha)
 (resid 30 and name hn)
    4.00     2.20     0.30
assign (resid 29 and name hb1)
 (resid 30 and name hn)
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assign (resid 29 and name hb*)
 (resid 30 and name hd*)
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assign (resid 29 and name hn)
 (resid 31 and name hn)
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assign (resid 29 and name ha)
 (resid 31 and name hn)
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assign (resid 29 and name hb1)
 (resid 31 and name hn)
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assign (resid 30 and name ha)
 (resid 31 and name hn)
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assign (resid 30 and name hn)
 (resid 31 and name hn)
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assign (resid 30 and name hb1)
 (resid 31 and name hn)
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assign (resid 30 and name hb2)
 (resid 31 and name hn)
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assign (resid 30 and name hn)
 (resid 32 and name hn)
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assign (resid 30 and name hn)
 (resid 32 and name hd1*)
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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)
 (resid 32 and name hn)
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assign (resid 30 and name hb2)
 (resid 32 and name hd1*)
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assign (resid 30 and name hd2*)
 (resid 32 and name hd1*)
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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)
 (resid 32 and name hn)
    4.00     2.20     0.30
assign (resid 31 and name ha2)
 (resid 32 and name hn)
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assign (resid 31 and name ha2)
 (resid 33 and name hn)
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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)
    3.00     2.20     0.30
assign (resid 32 and name ha)
 (resid 33 and name hd*)
    5.00     3.20     0.30
assign (resid 32 and name hb)
 (resid 33 and name hn)
    3.00     1.20     0.30
assign (resid 32 and name hg2*)
 (resid 33 and name hn)
    4.00     2.20     0.30
assign (resid 32 and name hg2*)
 (resid 33 and name hd*)
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assign (resid 57 and name ha)
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assign (resid 74 and name hg*) 
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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)
    4.00     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 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
assign (resid 105 and name hn) 
 (resid 106 and name hn)
    4.00     3.20     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 78 and name hb2*) 
assign (resid 78 and name hn) 
 (resid 79 and name hn)
   5.00     3.20     0.30 
 (resid 79 and name hn)
   4.00     2.20     0.30 !no
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 Pdxr
!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    15.0   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    15.0   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    15.0   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    15.0   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    15.0   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    15.0   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   15.0   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   15.0   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     -115.000     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     60.0     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     60.0     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    60.0    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   60.0     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      60.0     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        60.0     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   60.0     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   60.0     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 60.0     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  60.0     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   60.0     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  60.0     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 60.0     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  60.0     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   60.0     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    60.0     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     60.0     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     60.0     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      60.0     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       60.0     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     60.0     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     60.0     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     60.0     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     60.0     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     60.0     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     60.0     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     60.0    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     60.0     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     60.0     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     60.0    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  ) -8.5900  1.5000

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  ) -4.4700  1.5000

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  ) -6.9000  1.5000

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  ) 3.8200  1.5000

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  ) 1.8700  1.5000

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  ) 8.2700  1.5000

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  ) -8.9400  1.5000

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  ) 5.1100  2.5000 

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  ) 2.5600  1.5000

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  ) 7.2100  1.5000

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  ) 3.6200  1.5000

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  ) -1.6000  1.5000

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  ) -7.9600  2.5000

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  ) -10.4300  1.5000

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  ) -11.3700  1.5000

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  ) 7.9000  1.5000

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  ) -6.8900  2.500

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  ) 3.5400  2.5000

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  ) -7.9000  1.5000

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  ) -7.4000  1.5000

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  ) 2.5300  1.5000

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  ) -1.6300  1.5000

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  ) -6.8500  1.5000

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  )  2.5800  1.5000

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  ) 1.3900  2.0000 

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 32  and name N   )
       ( resid 32  and name HN  ) 1.1800  1.5000

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  ) 6.9500  1.5000

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  ) 4.1700  1.5000

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  ) 3.3600  1.5000

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  ) 1.2200  1.5000

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  ) 8.3200  1.5000

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  ) -0.7600  1.5000

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  ) 2.2700  1.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 55  and name N   )
       ( resid 55  and name HN  ) -4.9700  1.5000

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  ) -0.6000  1.5000

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  )  0.7100  1.5000

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  ) 3.5100  1.5000

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  ) 2.7200  1.5000

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  ) -5.0700  1.5000

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  ) -3.0300  1.5000

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  ) -1.7500  1.5000

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  ) 0.8200  1.5000

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  ) 3.3500  1.5000

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  )-0.3200  1.5000

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  ) 2.5300  1.5000

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  ) 2.5100  1.5000 

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  ) 1.1400  1.5000

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  ) 4.0300  1.5000

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  ) 5.3000  1.5000

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  ) -12.3400  1.5000

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  ) 2.5000  1.5000

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  ) 5.1700  1.5000

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  ) 2.8600  1.5000

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  ) 9.3200  1.5000

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  ) 2.0000  1.5000

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  ) 4.8500  1.5000

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  ) 1.4700  1.5000
       
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  )-8.2800  1.5000

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  ) -7.6600  1.5000

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  ) -12.6400  1.5000

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  )  0.4300  1.5000

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  ) 2.0300  1.5000

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  ) -5.7200  1.5000

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  ) 2.9400  1.5000

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  ) -12.8300  1.5000

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  ) 2.3700  1.5000

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  ) -7.3600  1.5000

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  ) -1.1800  1.5000

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  ) 0.9000  1.5000

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  )  6.1900  1.5000

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  ) -5.4700  1.5000

assign ( resid 600 and name OO  )
       ( resid 600 and name Z   )
       ( resid 600 and name X   )
       ( resid 600 and name Y   )
       ( resid 104 and name N   )
       ( resid 104 and name HN  ) -10.0400  1.5000

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  ) -5.2000  1.5000

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  )  2.9800  1.5000

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  ) 5.7700  1.5000

!! 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  ) 3.1300  1.0000

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  ) 1.5700  1.0000

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  ) 1.3500  1.0000

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  ) 3.0100  1.0000

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  ) -1.2800  1.0000

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  )  1.1800  1.0000

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  ) -3.9400  1.0000

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  ) -4.8100  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  ) 6.7200  1.0000

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  ) -2.9600  1.0000

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  ) -0.7600  1.0000

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  ) 0.3100  1.0000

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  ) 1.4300  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 17  and name N   )
       ( resid 17  and name HN  ) -0.3300  1.0000

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  )  2.2300  1.0000

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  )  5.3600  1.0000

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  ) -3.7900  1.5000 

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 21  and name N   )
       ( resid 21  and name HN  )  1.2100  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  ) -2.0200  1.0000

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  )  0.8000  1.0000

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  ) 0.3600  1.0000

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  ) -2.3400  1.0000

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  ) 2.2800  1.0000

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  ) 2.4700  1.0000

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  ) -6.3800  1.5000 

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 32  and name N   )
       ( resid 32  and name HN  ) -6.0500  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 33  and name N   )
       ( resid 33  and name HN  ) -1.2100  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  )  4.8800  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 35  and name N   )
       ( resid 35  and name HN  )  2.7800  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  ) -1.4900  1.0000

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  ) 1.5200  1.0000

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  ) 0.7200  1.0000

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  ) -1.8900  1.0000

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  ) -0.3300  1.0000

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  ) 4.2700  1.0000

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  ) -8.0400  1.0000

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  ) -5.3600  1.0000

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  )  -3.6600  1.0000

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  )  3.3600  1.0000

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  ) -6.1400  1.0000

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  )  1.1400  1.0000

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  ) -0.6200  1.0000

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  )  3.7000  1.0000

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  )  3.8300  1.0000

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  )  1.0000  1.0000

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  ) -1.5600  1.0000 
       
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  ) 3.7100  1.5000

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 72  and name N   )
       ( resid 72  and name HN  ) -6.1200  1.0000

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  ) 2.4000  1.0000

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  ) 2.0100  1.0000

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  ) 0.7000  1.0000

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  ) -1.9100  1.0000

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  ) -4.3800  1.0000

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  )  5.2500  1.0000

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  ) -5.2700  1.0000

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  )  3.0800  1.0000

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  ) -0.9000  1.0000
       
 
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  ) -0.0400  1.5000   

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 89  and name N   )
       ( resid 89  and name HN  ) -0.4400  1.0000

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  )  1.7700  1.0000

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  ) -6.0400  1.0000

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  ) -6.2800  1.0000

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  ) -5.5400  1.0000

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  )  1.1400  1.0000

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  ) -1.5700  1.0000

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  ) -4.4700  1.0000

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  )  0.7300  1.0000

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  )  1.3600  1.0000

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  ) 0.6500  1.0000

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  ) -1.4000  1.0000

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  ) -1.6100  1.0000

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  ) 1.7300  1.0000

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  ) 0.4100  1.0000

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  ) -1.7600  1.0000

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  ) 1.1800  1.0000

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    SER   1          1HT       SER   1  12.788  -8.418   2.910
    2   2H    SER   1          2HT       SER   1  12.149  -6.852   3.073
    3   3H    SER   1          3HT       SER   1  12.915  -7.312   1.630
    4    HA   SER   1           HA       SER   1  10.948  -9.185   1.962
    5   1HB   SER   1          2HB       SER   1   8.930  -7.949   2.409
    6   2HB   SER   1          1HB       SER   1  10.053  -7.584   3.714
    7    HG   SER   1           HG       SER   1  10.463  -5.626   2.827
    8    H    LYS   2           H        LYS   2  10.354  -9.551  -0.136
    9    HA   LYS   2           HA       LYS   2  11.225  -7.683  -2.200
   10   1HB   LYS   2          2HB       LYS   2  10.102 -10.425  -2.028
   11   2HB   LYS   2          1HB       LYS   2   9.578  -9.540  -3.451
   12   1HG   LYS   2          2HG       LYS   2  12.494  -9.647  -2.661
   13   2HG   LYS   2          1HG       LYS   2  11.762 -10.946  -3.603
   14   1HD   LYS   2          2HD       LYS   2  10.973  -9.160  -5.242
   15   2HD   LYS   2          1HD       LYS   2  12.009  -8.028  -4.376
   16   1HE   LYS   2          2HE       LYS   2  13.968  -9.412  -4.835
   17   2HE   LYS   2          1HE       LYS   2  12.956 -10.625  -5.620
   18   1HZ   LYS   2          1HZ       LYS   2  12.228  -8.658  -7.085
   19   2HZ   LYS   2          2HZ       LYS   2  13.731  -9.391  -7.388
   20   3HZ   LYS   2          3HZ       LYS   2  13.653  -7.917  -6.541
   21    H    VAL   3           H        VAL   3  10.000  -5.870  -2.617
   22    HA   VAL   3           HA       VAL   3   7.049  -6.070  -2.223
   23    HB   VAL   3           HB       VAL   3   9.030  -3.833  -1.899
   24   1HG1  VAL   3          1HG1      VAL   3   6.009  -3.679  -1.850
   25   2HG1  VAL   3          2HG1      VAL   3   7.099  -2.841  -2.953
   26   3HG1  VAL   3          3HG1      VAL   3   7.086  -2.418  -1.249
   27   1HG2  VAL   3          1HG2      VAL   3   8.999  -5.049   0.092
   28   2HG2  VAL   3          2HG2      VAL   3   7.294  -5.453  -0.054
   29   3HG2  VAL   3          3HG2      VAL   3   7.769  -3.834   0.390
   30    H    VAL   4           H        VAL   4   6.120  -6.367  -4.168
   31    HA   VAL   4           HA       VAL   4   7.105  -4.754  -6.474
   32    HB   VAL   4           HB       VAL   4   5.178  -7.062  -6.468
   33   1HG1  VAL   4          1HG1      VAL   4   5.638  -7.109  -8.876
   34   2HG1  VAL   4          2HG1      VAL   4   6.748  -5.750  -8.693
   35   3HG1  VAL   4          3HG1      VAL   4   5.023  -5.523  -8.405
   36   1HG2  VAL   4          1HG2      VAL   4   7.255  -7.950  -5.722
   37   2HG2  VAL   4          2HG2      VAL   4   8.169  -6.929  -6.836
   38   3HG2  VAL   4          3HG2      VAL   4   7.207  -8.271  -7.453
   39    H    TYR   5           H        TYR   5   5.881  -3.222  -7.311
   40    HA   TYR   5           HA       TYR   5   3.158  -2.678  -6.221
   41   1HB   TYR   5          2HB       TYR   5   5.154  -0.801  -7.513
   42   2HB   TYR   5          1HB       TYR   5   3.519  -0.347  -7.063
   43    HD1  TYR   5           1HD      TYR   5   6.908  -1.031  -5.857
   44    HD2  TYR   5           2HD      TYR   5   2.833  -0.333  -4.690
   45    HE1  TYR   5           1HE      TYR   5   7.662  -0.521  -3.557
   46    HE2  TYR   5           2HE      TYR   5   3.574   0.164  -2.385
   47    HH   TYR   5           HH       TYR   5   6.984   0.385  -1.529
   48    H    VAL   6           H        VAL   6   1.570  -3.258  -7.681
   49    HA   VAL   6           HA       VAL   6   2.316  -3.422 -10.574
   50    HB   VAL   6           HB       VAL   6  -0.152  -4.415  -9.117
   51   1HG1  VAL   6          1HG1      VAL   6  -0.387  -5.745 -11.281
   52   2HG1  VAL   6          2HG1      VAL   6   0.813  -4.652 -11.976
   53   3HG1  VAL   6          3HG1      VAL   6  -0.730  -4.019 -11.404
   54   1HG2  VAL   6          1HG2      VAL   6   0.869  -6.642  -9.459
   55   2HG2  VAL   6          2HG2      VAL   6   1.897  -5.612  -8.457
   56   3HG2  VAL   6          3HG2      VAL   6   2.294  -5.876 -10.157
   57    H    SER   7           H        SER   7   1.945  -1.598 -11.676
   58    HA   SER   7           HA       SER   7   0.044   0.412 -10.732
   59   1HB   SER   7          2HB       SER   7   0.986   1.823 -12.318
   60   2HB   SER   7          1HB       SER   7   2.316   0.701 -12.045
   61    HG   SER   7           HG       SER   7   1.612  -0.462 -13.867
   62    H    HIS   8           H        HIS   8  -0.784   1.273 -13.369
   63    HA   HIS   8           HA       HIS   8  -3.066  -0.577 -13.715
   64   1HB   HIS   8          2HB       HIS   8  -3.658   1.409 -15.433
   65   2HB   HIS   8          1HB       HIS   8  -3.963   1.556 -13.710
   66    HD1  HIS   8           1HD      HIS   8  -1.547   2.386 -12.415
   67    HD2  HIS   8           2HD      HIS   8  -2.317   3.660 -16.305
   68    HE1  HIS   8           1HE      HIS   8  -0.144   4.470 -12.779
   69    HE2  HIS   8           2HE      HIS   8  -0.601   5.249 -15.151
   70    H    ASP   9           H        ASP   9  -0.640   1.060 -15.809
   71    HA   ASP   9           HA       ASP   9  -1.337  -0.361 -18.159
   72   1HB   ASP   9          2HB       ASP   9   1.007   0.279 -18.899
   73   2HB   ASP   9          1HB       ASP   9  -0.007   1.617 -18.353
   74    H    GLY  10           H        GLY  10  -0.094  -1.708 -15.359
   75   1HA   GLY  10          2HA       GLY  10   0.399  -4.049 -15.167
   76   2HA   GLY  10          1HA       GLY  10   0.808  -4.093 -16.878
   77    H    THR  11           H        THR  11   2.301  -1.389 -15.642
   78    HA   THR  11           HA       THR  11   4.911  -2.685 -15.726
   79    HB   THR  11           HB       THR  11   4.201  -0.213 -16.397
   80    HG1  THR  11           1HG      THR  11   6.642  -0.342 -15.083
   81   1HG2  THR  11          1HG2      THR  11   4.622   1.444 -14.745
   82   2HG2  THR  11          2HG2      THR  11   5.294   0.262 -13.628
   83   3HG2  THR  11          3HG2      THR  11   3.566   0.270 -13.965
   84    H    ARG  12           H        ARG  12   6.256  -3.142 -13.994
   85    HA   ARG  12           HA       ARG  12   5.052  -2.835 -11.267
   86   1HB   ARG  12          2HB       ARG  12   7.024  -5.024 -11.711
   87   2HB   ARG  12          1HB       ARG  12   5.554  -5.010 -10.746
   88   1HG   ARG  12          2HG       ARG  12   4.958  -6.422 -12.513
   89   2HG   ARG  12          1HG       ARG  12   4.311  -4.874 -13.042
   90   1HD   ARG  12          2HD       ARG  12   5.711  -4.813 -14.860
   91   2HD   ARG  12          1HD       ARG  12   7.110  -5.286 -13.914
   92    HE   ARG  12           HE       ARG  12   6.519  -7.619 -14.239
   93   1HH1  ARG  12          1HH2      ARG  12   4.657  -5.331 -16.077
   94   2HH1  ARG  12          2HH2      ARG  12   3.913  -6.543 -17.053
   95   1HH2  ARG  12          1HH1      ARG  12   5.558  -9.185 -15.534
   96   2HH2  ARG  12          2HH1      ARG  12   4.419  -8.719 -16.755
   97    H    ARG  13           H        ARG  13   6.583  -2.874  -9.454
   98    HA   ARG  13           HA       ARG  13   9.331  -1.883 -10.040
   99   1HB   ARG  13          2HB       ARG  13   7.281  -0.530  -8.258
  100   2HB   ARG  13          1HB       ARG  13   9.007  -0.258  -8.087
  101   1HG   ARG  13          2HG       ARG  13   8.413   1.501  -9.464
  102   2HG   ARG  13          1HG       ARG  13   8.896   0.299 -10.655
  103   1HD   ARG  13          2HD       ARG  13   6.851   0.785 -11.588
  104   2HD   ARG  13          1HD       ARG  13   6.212  -0.284 -10.336
  105    HE   ARG  13           HE       ARG  13   6.387   2.189  -9.082
  106   1HH1  ARG  13          1HH2      ARG  13   4.972   0.919 -11.956
  107   2HH1  ARG  13          2HH2      ARG  13   3.662   2.052 -11.972
  108   1HH2  ARG  13          1HH1      ARG  13   4.707   3.695  -9.094
  109   2HH2  ARG  13          2HH1      ARG  13   3.513   3.628 -10.352
  110    H    GLU  14           H        GLU  14  10.505  -3.476  -8.994
  111    HA   GLU  14           HA       GLU  14   9.392  -4.688  -6.510
  112   1HB   GLU  14          2HB       GLU  14  11.941  -5.551  -7.881
  113   2HB   GLU  14          1HB       GLU  14  10.814  -6.511  -6.923
  114   1HG   GLU  14          2HG       GLU  14   9.087  -5.985  -8.773
  115   2HG   GLU  14          1HG       GLU  14  10.477  -5.489  -9.744
  116    H    LEU  15           H        LEU  15  10.131  -3.926  -4.569
  117    HA   LEU  15           HA       LEU  15  12.810  -2.555  -4.456
  118   1HB   LEU  15          2HB       LEU  15  10.506  -2.159  -2.509
  119   2HB   LEU  15          1HB       LEU  15  11.974  -1.209  -2.632
  120    HG   LEU  15           HG       LEU  15   9.697  -1.338  -4.553
  121   1HD1  LEU  15          1HD1      LEU  15   9.393   0.982  -3.989
  122   2HD1  LEU  15          2HD1      LEU  15  10.947   1.043  -3.167
  123   3HD1  LEU  15          3HD1      LEU  15   9.613   0.129  -2.461
  124   1HD2  LEU  15          1HD2      LEU  15  11.516  -1.164  -6.049
  125   2HD2  LEU  15          2HD2      LEU  15  12.512  -0.302  -4.888
  126   3HD2  LEU  15          3HD2      LEU  15  11.202   0.531  -5.708
  127    H    ASP  16           H        ASP  16  13.016  -2.385  -1.806
  128    HA   ASP  16           HA       ASP  16  12.793  -5.094  -0.622
  129   1HB   ASP  16          2HB       ASP  16  15.160  -4.636  -1.610
  130   2HB   ASP  16          1HB       ASP  16  15.315  -3.423  -0.337
  131    H    VAL  17           H        VAL  17  11.245  -4.382   0.852
  132    HA   VAL  17           HA       VAL  17  11.785  -1.852   2.380
  133    HB   VAL  17           HB       VAL  17   9.225  -3.508   2.257
  134   1HG1  VAL  17          1HG1      VAL  17   9.916  -0.720   3.190
  135   2HG1  VAL  17          2HG1      VAL  17   9.278  -2.066   4.134
  136   3HG1  VAL  17          3HG1      VAL  17   8.265  -1.284   2.931
  137   1HG2  VAL  17          1HG2      VAL  17   8.526  -1.670   0.652
  138   2HG2  VAL  17          2HG2      VAL  17   9.763  -2.756   0.011
  139   3HG2  VAL  17          3HG2      VAL  17  10.212  -1.168   0.599
  140    H    ALA  18           H        ALA  18  12.684  -2.118   4.334
  141    HA   ALA  18           HA       ALA  18  12.965  -4.751   5.518
  142   1HB   ALA  18          1HB       ALA  18  14.270  -3.625   7.223
  143   2HB   ALA  18          2HB       ALA  18  13.648  -2.055   6.716
  144   3HB   ALA  18          3HB       ALA  18  14.710  -2.972   5.641
  145    H    ASP  19           H        ASP  19  12.678  -4.710   8.068
  146    HA   ASP  19           HA       ASP  19   9.878  -4.839   8.567
  147   1HB   ASP  19          2HB       ASP  19  10.691  -5.194  10.965
  148   2HB   ASP  19          1HB       ASP  19  11.257  -6.343   9.757
  149    H    GLY  20           H        GLY  20   8.516  -3.421   9.326
  150   1HA   GLY  20          2HA       GLY  20   7.742  -1.609  10.700
  151   2HA   GLY  20          1HA       GLY  20   9.412  -1.117  10.955
  152    H    VAL  21           H        VAL  21   9.706  -1.354   7.818
  153    HA   VAL  21           HA       VAL  21   9.094   1.461   7.381
  154    HB   VAL  21           HB       VAL  21  10.086  -0.652   5.474
  155   1HG1  VAL  21          1HG1      VAL  21   9.136   1.263   4.302
  156   2HG1  VAL  21          2HG1      VAL  21  10.886   1.217   4.114
  157   3HG1  VAL  21          3HG1      VAL  21  10.155   2.346   5.253
  158   1HG2  VAL  21          1HG2      VAL  21  12.289  -0.019   5.945
  159   2HG2  VAL  21          2HG2      VAL  21  11.514  -0.134   7.536
  160   3HG2  VAL  21          3HG2      VAL  21  11.772   1.446   6.789
  161    H    SER  22           H        SER  22   7.272   2.234   6.356
  162    HA   SER  22           HA       SER  22   5.209   0.264   5.574
  163   1HB   SER  22          2HB       SER  22   3.687   2.060   5.642
  164   2HB   SER  22          1HB       SER  22   4.847   2.499   6.895
  165    HG   SER  22           HG       SER  22   4.848   3.376   4.185
  166    H    LEU  23           H        LEU  23   4.422   0.067   3.452
  167    HA   LEU  23           HA       LEU  23   6.160   0.221   1.286
  168   1HB   LEU  23          2HB       LEU  23   3.168   0.647   1.304
  169   2HB   LEU  23          1HB       LEU  23   4.109   0.334  -0.148
  170    HG   LEU  23           HG       LEU  23   4.124  -1.541   2.230
  171   1HD1  LEU  23          1HD1      LEU  23   1.832  -1.395   1.451
  172   2HD1  LEU  23          2HD1      LEU  23   2.521  -2.907   0.853
  173   3HD1  LEU  23          3HD1      LEU  23   2.358  -1.525  -0.222
  174   1HD2  LEU  23          1HD2      LEU  23   4.744  -3.168   0.344
  175   2HD2  LEU  23          2HD2      LEU  23   5.977  -1.984   0.758
  176   3HD2  LEU  23          3HD2      LEU  23   4.972  -1.748  -0.667
  177    H    MET  24           H        MET  24   3.995   2.762   2.471
  178    HA   MET  24           HA       MET  24   4.509   4.637   0.370
  179   1HB   MET  24          2HB       MET  24   2.624   5.022   1.787
  180   2HB   MET  24          1HB       MET  24   3.613   4.932   3.237
  181   1HG   MET  24          2HG       MET  24   4.587   7.050   2.854
  182   2HG   MET  24          1HG       MET  24   4.127   7.048   1.149
  183   1HE   MET  24          1HE       MET  24   3.669   9.581   2.477
  184   2HE   MET  24          2HE       MET  24   3.612   8.898   4.102
  185   3HE   MET  24          3HE       MET  24   2.247   9.837   3.504
  186    H    GLN  25           H        GLN  25   6.311   3.742   3.249
  187    HA   GLN  25           HA       GLN  25   8.019   6.086   3.221
  188   1HB   GLN  25          2HB       GLN  25   8.219   3.384   4.551
  189   2HB   GLN  25          1HB       GLN  25   9.534   4.547   4.645
  190   1HG   GLN  25          2HG       GLN  25   8.160   6.145   5.768
  191   2HG   GLN  25          1HG       GLN  25   6.688   5.247   5.390
  192   1HE2  GLN  25          1HE2      GLN  25   5.942   4.425   7.361
  193   2HE2  GLN  25          2HE2      GLN  25   6.907   3.608   8.493
  194    H    ALA  26           H        ALA  26   8.711   2.639   2.286
  195    HA   ALA  26           HA       ALA  26  11.198   3.290   1.042
  196   1HB   ALA  26          1HB       ALA  26   9.262   1.010   0.619
  197   2HB   ALA  26          2HB       ALA  26  10.729   1.008   1.599
  198   3HB   ALA  26          3HB       ALA  26  10.842   1.093  -0.155
  199    H    ALA  27           H        ALA  27   7.893   3.545  -0.184
  200    HA   ALA  27           HA       ALA  27   8.515   3.598  -2.966
  201   1HB   ALA  27          1HB       ALA  27   6.218   3.498  -2.591
  202   2HB   ALA  27          2HB       ALA  27   6.386   5.227  -2.886
  203   3HB   ALA  27          3HB       ALA  27   6.291   4.622  -1.234
  204    H    VAL  28           H        VAL  28   9.074   5.829  -0.405
  205    HA   VAL  28           HA       VAL  28   9.472   8.156  -2.176
  206    HB   VAL  28           HB       VAL  28  10.027   7.744   0.780
  207   1HG1  VAL  28          1HG1      VAL  28  10.103  10.309   0.712
  208   2HG1  VAL  28          2HG1      VAL  28  10.294  10.149  -1.030
  209   3HG1  VAL  28          3HG1      VAL  28  11.504   9.466   0.052
  210   1HG2  VAL  28          1HG2      VAL  28   7.997   8.967   1.139
  211   2HG2  VAL  28          2HG2      VAL  28   7.615   7.741  -0.068
  212   3HG2  VAL  28          3HG2      VAL  28   7.884   9.412  -0.558
  213    H    SER  29           H        SER  29  11.334   5.557  -0.874
  214    HA   SER  29           HA       SER  29  13.922   6.884  -1.204
  215   1HB   SER  29          2HB       SER  29  14.501   5.196   0.201
  216   2HB   SER  29          1HB       SER  29  12.894   4.513   0.016
  217    HG   SER  29           HG       SER  29  13.732   3.026  -1.195
  218    H    ASN  30           H        ASN  30  11.800   4.854  -3.096
  219    HA   ASN  30           HA       ASN  30  13.873   4.604  -5.235
  220   1HB   ASN  30          2HB       ASN  30  11.321   3.114  -4.601
  221   2HB   ASN  30          1HB       ASN  30  12.068   3.025  -6.194
  222   1HD2  ASN  30          1HD2      ASN  30  12.844   2.547  -2.721
  223   2HD2  ASN  30          2HD2      ASN  30  14.015   1.347  -2.989
  224    H    GLY  31           H        GLY  31  11.604   6.703  -4.227
  225   1HA   GLY  31          2HA       GLY  31  10.432   8.419  -5.339
  226   2HA   GLY  31          1HA       GLY  31  11.402   8.035  -6.757
  227    H    ILE  32           H        ILE  32   8.648   6.725  -4.906
  228    HA   ILE  32           HA       ILE  32   7.378   5.943  -7.517
  229    HB   ILE  32           HB       ILE  32   7.270   4.448  -4.884
  230   1HG1  ILE  32          2HG1      ILE  32   8.689   3.978  -7.510
  231   2HG1  ILE  32          1HG1      ILE  32   9.400   4.092  -5.902
  232   1HG2  ILE  32          1HG2      ILE  32   5.157   4.367  -6.342
  233   2HG2  ILE  32          2HG2      ILE  32   5.901   2.814  -5.982
  234   3HG2  ILE  32          3HG2      ILE  32   6.153   3.569  -7.560
  235   1HD1  ILE  32          1HD1      ILE  32   7.840   2.014  -5.399
  236   2HD1  ILE  32          2HD1      ILE  32   9.379   1.791  -6.224
  237   3HD1  ILE  32          3HD1      ILE  32   7.886   1.822  -7.151
  238    H    TYR  33           H        TYR  33   6.755   6.898  -4.122
  239    HA   TYR  33           HA       TYR  33   3.941   7.493  -4.807
  240   1HB   TYR  33          2HB       TYR  33   5.569   7.338  -2.296
  241   2HB   TYR  33          1HB       TYR  33   4.145   8.374  -2.267
  242    HD1  TYR  33           1HD      TYR  33   4.509   5.264  -4.292
  243    HD2  TYR  33           2HD      TYR  33   2.746   7.085  -0.817
  244    HE1  TYR  33           1HE      TYR  33   3.043   3.291  -3.997
  245    HE2  TYR  33           2HE      TYR  33   1.280   5.105  -0.531
  246    HH   TYR  33           HH       TYR  33   0.890   2.745  -2.952
  247    H    ASP  34           H        ASP  34   6.656   9.088  -5.457
  248    HA   ASP  34           HA       ASP  34   6.788  11.616  -4.506
  249   1HB   ASP  34          2HB       ASP  34   7.332  12.415  -6.820
  250   2HB   ASP  34          1HB       ASP  34   8.176  10.933  -6.366
  251    H    ILE  35           H        ILE  35   4.544  11.799  -3.735
  252    HA   ILE  35           HA       ILE  35   3.064  13.731  -5.397
  253    HB   ILE  35           HB       ILE  35   2.268  11.289  -5.913
  254   1HG1  ILE  35          2HG1      ILE  35  -0.131  12.094  -6.030
  255   2HG1  ILE  35          1HG1      ILE  35   0.368  13.530  -5.148
  256   1HG2  ILE  35          1HG2      ILE  35   0.838  10.223  -4.398
  257   2HG2  ILE  35          2HG2      ILE  35   0.536  11.699  -3.482
  258   3HG2  ILE  35          3HG2      ILE  35   2.084  10.872  -3.333
  259   1HD1  ILE  35          1HD1      ILE  35   0.314  13.440  -7.834
  260   2HD1  ILE  35          2HD1      ILE  35   1.955  12.851  -7.585
  261   3HD1  ILE  35          3HD1      ILE  35   1.475  14.425  -6.956
  262    H    VAL  36           H        VAL  36   4.446  13.396  -2.665
  263    HA   VAL  36           HA       VAL  36   4.116  14.213  -0.495
  264    HB   VAL  36           HB       VAL  36   1.714  15.666  -1.627
  265   1HG1  VAL  36          1HG1      VAL  36   2.629  17.458  -0.069
  266   2HG1  VAL  36          2HG1      VAL  36   3.733  16.239   0.555
  267   3HG1  VAL  36          3HG1      VAL  36   1.991  16.025   0.722
  268   1HG2  VAL  36          1HG2      VAL  36   3.406  17.461  -2.230
  269   2HG2  VAL  36          2HG2      VAL  36   3.448  16.022  -3.251
  270   3HG2  VAL  36          3HG2      VAL  36   4.662  16.247  -1.990
  271    H    GLY  37           H        GLY  37   2.346  14.343   1.296
  272   1HA   GLY  37          2HA       GLY  37   0.168  12.345   0.841
  273   2HA   GLY  37          1HA       GLY  37   1.292  12.111   2.184
  274    H    ASP  38           H        ASP  38  -1.721  12.929   1.859
  275    HA   ASP  38           HA       ASP  38  -1.867  15.543   3.115
  276   1HB   ASP  38          2HB       ASP  38  -3.855  13.324   2.625
  277   2HB   ASP  38          1HB       ASP  38  -4.293  14.751   3.568
  278    H    CYS  39           H        CYS  39  -2.901  12.350   4.407
  279    HA   CYS  39           HA       CYS  39  -2.744  13.310   7.129
  280   1HB   CYS  39          2HB       CYS  39  -3.390  11.134   7.796
  281   2HB   CYS  39          1HB       CYS  39  -4.163  11.341   6.225
  282    H    GLY  40           H        GLY  40  -0.285  13.179   5.188
  283   1HA   GLY  40          2HA       GLY  40   2.017  12.772   5.420
  284   2HA   GLY  40          1HA       GLY  40   1.727  12.931   7.156
  285    H    GLY  41           H        GLY  41  -0.223  10.564   5.779
  286   1HA   GLY  41          2HA       GLY  41   0.109   8.213   5.475
  287   2HA   GLY  41          1HA       GLY  41   1.720   8.358   6.184
  288    H    SER  42           H        SER  42  -0.941   9.941   7.748
  289    HA   SER  42           HA       SER  42  -0.677   8.058  10.043
  290   1HB   SER  42          2HB       SER  42  -2.006  10.778   9.875
  291   2HB   SER  42          1HB       SER  42  -1.781   9.828  11.338
  292    HG   SER  42           HG       SER  42  -0.156  11.555  10.651
  293    H    ALA  43           H        ALA  43  -2.155   7.159   7.759
  294    HA   ALA  43           HA       ALA  43  -4.297   6.403   7.109
  295   1HB   ALA  43          1HB       ALA  43  -5.314   5.054   8.783
  296   2HB   ALA  43          2HB       ALA  43  -4.710   6.075  10.086
  297   3HB   ALA  43          3HB       ALA  43  -3.600   5.054   9.177
  298    H    SER  44           H        SER  44  -4.981   8.664   6.513
  299    HA   SER  44           HA       SER  44  -7.496   9.287   7.804
  300   1HB   SER  44          2HB       SER  44  -5.453  10.366   9.187
  301   2HB   SER  44          1HB       SER  44  -5.665  11.641   7.989
  302    HG   SER  44           HG       SER  44  -7.536  12.121   8.851
  303    H    CYS  45           H        CYS  45  -5.900   8.949   5.131
  304    HA   CYS  45           HA       CYS  45  -7.538  10.941   3.681
  305   1HB   CYS  45          2HB       CYS  45  -5.797  12.037   2.580
  306   2HB   CYS  45          1HB       CYS  45  -5.140  11.869   4.198
  307    H    ALA  46           H        ALA  46  -7.370  10.525   1.279
  308    HA   ALA  46           HA       ALA  46  -7.249   7.575   0.806
  309   1HB   ALA  46          1HB       ALA  46  -8.494   8.352  -1.346
  310   2HB   ALA  46          2HB       ALA  46  -8.729   9.864  -0.476
  311   3HB   ALA  46          3HB       ALA  46  -9.373   8.359   0.174
  312    H    THR  47           H        THR  47  -5.091   9.863   0.737
  313    HA   THR  47           HA       THR  47  -4.215  10.097  -1.955
  314    HB   THR  47           HB       THR  47  -2.408  10.083   0.472
  315    HG1  THR  47           1HG      THR  47  -3.077  12.514  -0.049
  316   1HG2  THR  47          1HG2      THR  47  -1.254  11.858  -0.923
  317   2HG2  THR  47          2HG2      THR  47  -2.318  11.403  -2.252
  318   3HG2  THR  47          3HG2      THR  47  -1.183  10.227  -1.586
  319    H    CYS  48           H        CYS  48  -3.418   7.676   0.557
  320    HA   CYS  48           HA       CYS  48  -1.774   6.209  -1.441
  321   1HB   CYS  48          2HB       CYS  48  -0.889   4.973   0.354
  322   2HB   CYS  48          1HB       CYS  48  -1.029   6.614   0.971
  323    H    HIS  49           H        HIS  49  -4.462   6.203  -2.131
  324    HA   HIS  49           HA       HIS  49  -5.823   3.842  -1.081
  325   1HB   HIS  49          2HB       HIS  49  -7.254   5.534  -1.996
  326   2HB   HIS  49          1HB       HIS  49  -6.275   5.695  -3.425
  327    HD1  HIS  49           1HD      HIS  49  -8.469   2.983  -1.793
  328    HD2  HIS  49           2HD      HIS  49  -7.273   4.319  -5.544
  329    HE1  HIS  49           1HE      HIS  49  -9.678   1.531  -3.524
  330    HE2  HIS  49           2HE      HIS  49  -8.915   2.327  -5.787
  331    H    VAL  50           H        VAL  50  -4.886   1.838  -1.502
  332    HA   VAL  50           HA       VAL  50  -4.284   1.205  -4.348
  333    HB   VAL  50           HB       VAL  50  -2.075   0.556  -4.042
  334   1HG1  VAL  50          1HG1      VAL  50  -0.907   2.308  -2.862
  335   2HG1  VAL  50          2HG1      VAL  50  -2.325   2.649  -1.874
  336   3HG1  VAL  50          3HG1      VAL  50  -2.347   3.009  -3.598
  337   1HG2  VAL  50          1HG2      VAL  50  -2.751   0.207  -1.111
  338   2HG2  VAL  50          2HG2      VAL  50  -1.095   0.150  -1.716
  339   3HG2  VAL  50          3HG2      VAL  50  -2.276  -1.038  -2.272
  340    H    TYR  51           H        TYR  51  -4.005  -1.148  -4.646
  341    HA   TYR  51           HA       TYR  51  -5.785  -2.662  -2.787
  342   1HB   TYR  51          2HB       TYR  51  -5.167  -2.990  -5.715
  343   2HB   TYR  51          1HB       TYR  51  -6.220  -4.049  -4.809
  344    HD1  TYR  51           1HD      TYR  51  -8.044  -2.610  -3.296
  345    HD2  TYR  51           2HD      TYR  51  -6.172  -1.286  -6.934
  346    HE1  TYR  51           1HE      TYR  51  -9.814  -0.910  -3.594
  347    HE2  TYR  51           2HE      TYR  51  -7.974   0.364  -7.226
  348    HH   TYR  51           HH       TYR  51 -10.593   0.449  -6.293
  349    H    VAL  52           H        VAL  52  -4.607  -3.818  -1.458
  350    HA   VAL  52           HA       VAL  52  -1.959  -4.893  -2.159
  351    HB   VAL  52           HB       VAL  52  -3.487  -5.337   0.404
  352   1HG1  VAL  52          1HG1      VAL  52  -1.345  -6.656  -0.246
  353   2HG1  VAL  52          2HG1      VAL  52  -1.421  -5.927   1.351
  354   3HG1  VAL  52          3HG1      VAL  52  -0.508  -5.135   0.061
  355   1HG2  VAL  52          1HG2      VAL  52  -3.175  -2.849  -0.229
  356   2HG2  VAL  52          2HG2      VAL  52  -1.452  -3.136   0.008
  357   3HG2  VAL  52          3HG2      VAL  52  -2.581  -3.360   1.338
  358    H    ASN  53           H        ASN  53  -1.597  -7.040  -2.737
  359    HA   ASN  53           HA       ASN  53  -3.624  -8.759  -3.573
  360   1HB   ASN  53          2HB       ASN  53  -1.370  -9.254  -4.146
  361   2HB   ASN  53          1HB       ASN  53  -0.887  -9.388  -2.464
  362   1HD2  ASN  53          1HD2      ASN  53  -0.151 -11.580  -3.683
  363   2HD2  ASN  53          2HD2      ASN  53  -1.247 -12.869  -3.518
  364    H    GLU  54           H        GLU  54  -5.198  -9.858  -2.513
  365    HA   GLU  54           HA       GLU  54  -5.644  -9.687   0.257
  366   1HB   GLU  54          2HB       GLU  54  -7.356 -11.396  -0.071
  367   2HB   GLU  54          1HB       GLU  54  -7.376 -10.264  -1.423
  368   1HG   GLU  54          2HG       GLU  54  -5.843 -11.880  -2.652
  369   2HG   GLU  54          1HG       GLU  54  -6.168 -13.040  -1.364
  370    H    ALA  55           H        ALA  55  -2.971 -11.076  -0.772
  371    HA   ALA  55           HA       ALA  55  -3.178 -13.547   0.890
  372   1HB   ALA  55          1HB       ALA  55  -2.262 -14.042  -1.247
  373   2HB   ALA  55          2HB       ALA  55  -0.886 -14.003  -0.141
  374   3HB   ALA  55          3HB       ALA  55  -1.206 -12.631  -1.202
  375    H    PHE  56           H        PHE  56  -1.849 -10.314   0.895
  376    HA   PHE  56           HA       PHE  56  -0.055 -11.004   3.189
  377   1HB   PHE  56          2HB       PHE  56  -0.124  -8.757   1.170
  378   2HB   PHE  56          1HB       PHE  56   0.978  -8.778   2.542
  379    HD1  PHE  56           1HD      PHE  56  -0.072 -10.730  -0.458
  380    HD2  PHE  56           2HD      PHE  56   3.031  -9.971   2.393
  381    HE1  PHE  56           1HE      PHE  56   1.461 -12.211  -1.722
  382    HE2  PHE  56           2HE      PHE  56   4.549 -11.462   1.160
  383    HZ   PHE  56           HZ       PHE  56   3.775 -12.579  -0.916
  384    H    THR  57           H        THR  57  -2.965  -9.503   2.274
  385    HA   THR  57           HA       THR  57  -3.051  -7.332   4.166
  386    HB   THR  57           HB       THR  57  -5.587  -7.579   3.838
  387    HG1  THR  57           1HG      THR  57  -5.671  -9.733   3.297
  388   1HG2  THR  57          1HG2      THR  57  -3.944  -7.422   1.311
  389   2HG2  THR  57          2HG2      THR  57  -4.058  -6.111   2.486
  390   3HG2  THR  57          3HG2      THR  57  -5.496  -6.648   1.625
  391    H    ASP  58           H        ASP  58  -4.003 -10.729   4.309
  392    HA   ASP  58           HA       ASP  58  -5.037 -10.408   7.061
  393   1HB   ASP  58          2HB       ASP  58  -5.674 -12.752   6.895
  394   2HB   ASP  58          1HB       ASP  58  -6.157 -11.933   5.405
  395    H    LYS  59           H        LYS  59  -2.087 -10.281   6.007
  396    HA   LYS  59           HA       LYS  59  -0.944 -12.036   8.164
  397   1HB   LYS  59          2HB       LYS  59   0.534 -11.237   5.669
  398   2HB   LYS  59          1HB       LYS  59   0.835 -12.602   6.744
  399   1HG   LYS  59          2HG       LYS  59  -1.544 -13.403   5.998
  400   2HG   LYS  59          1HG       LYS  59  -1.348 -12.255   4.665
  401   1HD   LYS  59          2HD       LYS  59  -0.624 -14.496   3.976
  402   2HD   LYS  59          1HD       LYS  59   0.761 -13.410   4.019
  403   1HE   LYS  59          2HE       LYS  59   1.726 -14.529   5.804
  404   2HE   LYS  59          1HE       LYS  59   0.168 -14.962   6.511
  405   1HZ   LYS  59          1HZ       LYS  59  -0.039 -16.409   4.389
  406   2HZ   LYS  59          2HZ       LYS  59   0.900 -16.961   5.693
  407   3HZ   LYS  59          3HZ       LYS  59   1.651 -16.273   4.333
  408    H    VAL  60           H        VAL  60  -0.656  -9.026   6.311
  409    HA   VAL  60           HA       VAL  60   1.394  -7.964   8.120
  410    HB   VAL  60           HB       VAL  60   0.481  -7.444   5.495
  411   1HG1  VAL  60          1HG1      VAL  60  -0.016  -4.976   7.168
  412   2HG1  VAL  60          2HG1      VAL  60  -1.212  -5.912   6.286
  413   3HG1  VAL  60          3HG1      VAL  60   0.033  -5.032   5.405
  414   1HG2  VAL  60          1HG2      VAL  60   2.794  -6.678   7.112
  415   2HG2  VAL  60          2HG2      VAL  60   2.337  -5.397   5.997
  416   3HG2  VAL  60          3HG2      VAL  60   2.694  -7.010   5.386
  417    HA   PRO  61           HA       PRO  61  -1.175  -6.245  11.195
  418   1HB   PRO  61          2HB       PRO  61  -0.437  -3.493  11.202
  419   2HB   PRO  61          1HB       PRO  61   0.250  -4.789  12.189
  420   1HG   PRO  61          2HG       PRO  61   1.339  -3.494   9.799
  421   2HG   PRO  61          1HG       PRO  61   2.173  -4.425  11.050
  422   1HD   PRO  61          2HD       PRO  61   1.673  -5.325   8.473
  423   2HD   PRO  61          1HD       PRO  61   2.031  -6.385   9.831
  424    H    ALA  62           H        ALA  62  -3.169  -6.477  10.201
  425    HA   ALA  62           HA       ALA  62  -4.343  -4.470   8.471
  426   1HB   ALA  62          1HB       ALA  62  -6.421  -5.781   8.767
  427   2HB   ALA  62          2HB       ALA  62  -5.639  -6.736  10.028
  428   3HB   ALA  62          3HB       ALA  62  -5.070  -6.839   8.358
  429    H    ALA  63           H        ALA  63  -4.485  -2.525   9.469
  430    HA   ALA  63           HA       ALA  63  -4.711  -1.923  12.157
  431   1HB   ALA  63          1HB       ALA  63  -5.436   0.259  11.496
  432   2HB   ALA  63          2HB       ALA  63  -6.075  -0.357   9.965
  433   3HB   ALA  63          3HB       ALA  63  -4.333  -0.328  10.251
  434    H    ASN  64           H        ASN  64  -6.348  -1.336  13.520
  435    HA   ASN  64           HA       ASN  64  -8.666  -2.980  13.616
  436   1HB   ASN  64          2HB       ASN  64  -9.453  -1.222  15.345
  437   2HB   ASN  64          1HB       ASN  64  -7.957  -2.091  15.677
  438   1HD2  ASN  64          1HD2      ASN  64  -7.307  -0.177  17.013
  439   2HD2  ASN  64          2HD2      ASN  64  -6.690   1.204  16.246
  440    H    GLU  65           H        GLU  65 -10.826  -1.349  14.189
  441    HA   GLU  65           HA       GLU  65 -11.887  -0.836  11.584
  442   1HB   GLU  65          2HB       GLU  65 -13.880  -0.044  12.804
  443   2HB   GLU  65          1HB       GLU  65 -13.274  -1.562  13.461
  444   1HG   GLU  65          2HG       GLU  65 -11.926  -0.068  15.112
  445   2HG   GLU  65          1HG       GLU  65 -13.024   1.219  14.609
  446    H    ARG  66           H        ARG  66  -9.837   1.191  13.360
  447    HA   ARG  66           HA       ARG  66 -11.086   3.718  12.920
  448   1HB   ARG  66          2HB       ARG  66  -8.148   2.979  13.033
  449   2HB   ARG  66          1HB       ARG  66  -8.755   4.628  13.016
  450   1HG   ARG  66          2HG       ARG  66 -10.219   3.862  15.055
  451   2HG   ARG  66          1HG       ARG  66  -9.055   2.549  15.171
  452   1HD   ARG  66          2HD       ARG  66  -7.433   4.826  14.901
  453   2HD   ARG  66          1HD       ARG  66  -8.746   5.360  15.952
  454    HE   ARG  66           HE       ARG  66  -7.480   2.784  16.644
  455   1HH1  ARG  66          1HH2      ARG  66  -7.868   6.180  17.210
  456   2HH1  ARG  66          2HH2      ARG  66  -7.058   6.139  18.740
  457   1HH2  ARG  66          1HH1      ARG  66  -6.385   2.738  18.595
  458   2HH2  ARG  66          2HH1      ARG  66  -6.207   4.194  19.513
  459    H    GLU  67           H        GLU  67  -9.047   1.704  10.840
  460    HA   GLU  67           HA       GLU  67  -9.020   3.685   8.692
  461   1HB   GLU  67          2HB       GLU  67  -7.231   1.896   9.189
  462   2HB   GLU  67          1HB       GLU  67  -8.331   0.754   8.421
  463   1HG   GLU  67          2HG       GLU  67  -8.268   1.980   6.348
  464   2HG   GLU  67          1HG       GLU  67  -7.378   3.306   7.095
  465    H    ILE  68           H        ILE  68 -10.768   0.674   9.386
  466    HA   ILE  68           HA       ILE  68 -12.046   0.207   6.963
  467    HB   ILE  68           HB       ILE  68 -13.309   0.049   9.713
  468   1HG1  ILE  68          2HG1      ILE  68 -11.940  -2.053   8.000
  469   2HG1  ILE  68          1HG1      ILE  68 -11.200  -1.258   9.382
  470   1HG2  ILE  68          1HG2      ILE  68 -15.057  -0.010   8.049
  471   2HG2  ILE  68          2HG2      ILE  68 -14.769  -1.676   8.548
  472   3HG2  ILE  68          3HG2      ILE  68 -14.115  -1.083   7.018
  473   1HD1  ILE  68          1HD1      ILE  68 -12.007  -3.097  10.488
  474   2HD1  ILE  68          2HD1      ILE  68 -13.284  -3.376   9.301
  475   3HD1  ILE  68          3HD1      ILE  68 -13.491  -2.145  10.545
  476    H    GLY  69           H        GLY  69 -12.637   2.862   9.186
  477   1HA   GLY  69          2HA       GLY  69 -15.095   3.692   7.785
  478   2HA   GLY  69          1HA       GLY  69 -14.298   4.582   9.084
  479    H    MET  70           H        MET  70 -11.668   4.429   7.721
  480    HA   MET  70           HA       MET  70 -11.965   6.805   6.027
  481   1HB   MET  70          2HB       MET  70  -9.483   5.090   6.350
  482   2HB   MET  70          1HB       MET  70  -9.567   6.794   5.902
  483   1HG   MET  70          2HG       MET  70 -10.428   7.360   8.125
  484   2HG   MET  70          1HG       MET  70 -10.415   5.657   8.584
  485   1HE   MET  70          1HE       MET  70  -8.251   5.107  10.383
  486   2HE   MET  70          2HE       MET  70  -9.405   6.429  10.544
  487   3HE   MET  70          3HE       MET  70  -7.691   6.729  10.805
  488    H    LEU  71           H        LEU  71 -11.434   3.358   5.661
  489    HA   LEU  71           HA       LEU  71 -10.795   3.305   2.890
  490   1HB   LEU  71          2HB       LEU  71 -11.981   1.390   4.876
  491   2HB   LEU  71          1HB       LEU  71 -12.128   0.976   3.165
  492    HG   LEU  71           HG       LEU  71  -9.445   1.811   4.283
  493   1HD1  LEU  71          1HD1      LEU  71 -10.797  -0.880   4.547
  494   2HD1  LEU  71          2HD1      LEU  71 -10.005   0.071   5.803
  495   3HD1  LEU  71          3HD1      LEU  71  -9.041  -0.714   4.549
  496   1HD2  LEU  71          1HD2      LEU  71  -9.688   1.576   1.834
  497   2HD2  LEU  71          2HD2      LEU  71 -10.350  -0.034   2.053
  498   3HD2  LEU  71          3HD2      LEU  71  -8.668   0.281   2.457
  499    H    GLU  72           H        GLU  72 -13.740   3.938   4.611
  500    HA   GLU  72           HA       GLU  72 -15.391   3.651   2.164
  501   1HB   GLU  72          2HB       GLU  72 -16.200   2.907   4.437
  502   2HB   GLU  72          1HB       GLU  72 -16.186   4.597   4.948
  503   1HG   GLU  72          2HG       GLU  72 -17.964   5.170   3.516
  504   2HG   GLU  72          1HG       GLU  72 -17.690   3.791   2.450
  505    H    CYS  73           H        CYS  73 -13.199   5.622   2.386
  506    HA   CYS  73           HA       CYS  73 -14.796   8.105   1.905
  507   1HB   CYS  73          2HB       CYS  73 -13.013   7.627   4.104
  508   2HB   CYS  73          1HB       CYS  73 -12.233   8.805   3.054
  509    HG   CYS  73           HG       CYS  73 -15.186   9.377   3.812
  510    H    VAL  74           H        VAL  74 -13.227   5.982   0.192
  511    HA   VAL  74           HA       VAL  74 -11.247   7.804  -1.071
  512    HB   VAL  74           HB       VAL  74 -10.798   5.688  -2.472
  513   1HG1  VAL  74          1HG1      VAL  74  -9.183   6.230  -0.837
  514   2HG1  VAL  74          2HG1      VAL  74  -9.655   4.594  -0.403
  515   3HG1  VAL  74          3HG1      VAL  74 -10.299   5.969   0.490
  516   1HG2  VAL  74          1HG2      VAL  74 -12.279   4.401  -0.173
  517   2HG2  VAL  74          2HG2      VAL  74 -11.637   3.623  -1.622
  518   3HG2  VAL  74          3HG2      VAL  74 -13.037   4.690  -1.743
  519    H    THR  75           H        THR  75 -11.238   7.819  -3.517
  520    HA   THR  75           HA       THR  75 -14.028   8.210  -4.520
  521    HB   THR  75           HB       THR  75 -11.466   9.061  -5.916
  522    HG1  THR  75           1HG      THR  75 -12.936  10.863  -4.384
  523   1HG2  THR  75          1HG2      THR  75 -13.074  10.868  -6.735
  524   2HG2  THR  75          2HG2      THR  75 -14.378   9.913  -6.035
  525   3HG2  THR  75          3HG2      THR  75 -13.390   9.240  -7.332
  526    H    ALA  76           H        ALA  76 -11.720   5.814  -4.546
  527    HA   ALA  76           HA       ALA  76 -12.280   4.990  -7.367
  528   1HB   ALA  76          1HB       ALA  76 -10.111   4.473  -5.375
  529   2HB   ALA  76          2HB       ALA  76  -9.974   4.996  -7.041
  530   3HB   ALA  76          3HB       ALA  76 -10.365   3.316  -6.684
  531    H    GLU  77           H        GLU  77 -12.478   2.573  -7.640
  532    HA   GLU  77           HA       GLU  77 -14.709   1.575  -6.227
  533   1HB   GLU  77          2HB       GLU  77 -14.649   0.317  -8.128
  534   2HB   GLU  77          1HB       GLU  77 -13.000   0.826  -8.424
  535   1HG   GLU  77          2HG       GLU  77 -12.105  -1.074  -7.253
  536   2HG   GLU  77          1HG       GLU  77 -13.679  -1.480  -6.564
  537    H    LEU  78           H        LEU  78 -14.626   1.032  -4.032
  538    HA   LEU  78           HA       LEU  78 -12.131   0.186  -2.801
  539   1HB   LEU  78          2HB       LEU  78 -14.338   1.217  -1.702
  540   2HB   LEU  78          1HB       LEU  78 -14.797  -0.475  -1.562
  541    HG   LEU  78           HG       LEU  78 -12.338  -0.762  -0.590
  542   1HD1  LEU  78          1HD1      LEU  78 -11.436   1.391  -0.908
  543   2HD1  LEU  78          2HD1      LEU  78 -11.823   1.323   0.806
  544   3HD1  LEU  78          3HD1      LEU  78 -12.885   2.179  -0.294
  545   1HD2  LEU  78          1HD2      LEU  78 -14.459  -1.161   0.643
  546   2HD2  LEU  78          2HD2      LEU  78 -14.531   0.557   1.036
  547   3HD2  LEU  78          3HD2      LEU  78 -13.217  -0.437   1.664
  548    H    LYS  79           H        LYS  79 -11.747  -1.844  -1.880
  549    HA   LYS  79           HA       LYS  79 -12.997  -4.133  -3.338
  550   1HB   LYS  79          2HB       LYS  79 -10.143  -3.390  -2.742
  551   2HB   LYS  79          1HB       LYS  79 -10.574  -5.049  -3.137
  552   1HG   LYS  79          2HG       LYS  79 -11.185  -2.648  -4.886
  553   2HG   LYS  79          1HG       LYS  79  -9.770  -3.672  -5.089
  554   1HD   LYS  79          2HD       LYS  79 -11.531  -5.627  -5.190
  555   2HD   LYS  79          1HD       LYS  79 -12.665  -4.336  -5.578
  556   1HE   LYS  79          2HE       LYS  79 -10.957  -3.605  -7.362
  557   2HE   LYS  79          1HE       LYS  79 -10.221  -5.190  -7.123
  558   1HZ   LYS  79          1HZ       LYS  79 -12.443  -4.560  -8.670
  559   2HZ   LYS  79          2HZ       LYS  79 -13.010  -5.481  -7.357
  560   3HZ   LYS  79          3HZ       LYS  79 -11.790  -6.096  -8.370
  561    HA   PRO  80           HA       PRO  80 -13.650  -5.812   0.710
  562   1HB   PRO  80          2HB       PRO  80 -12.755  -8.464   0.316
  563   2HB   PRO  80          1HB       PRO  80 -14.396  -7.871  -0.004
  564   1HG   PRO  80          2HG       PRO  80 -12.146  -8.321  -1.900
  565   2HG   PRO  80          1HG       PRO  80 -13.889  -8.524  -2.142
  566   1HD   PRO  80          2HD       PRO  80 -12.538  -6.400  -3.154
  567   2HD   PRO  80          1HD       PRO  80 -14.224  -6.258  -2.604
  568    H    ASN  81           H        ASN  81 -10.620  -6.248  -0.929
  569    HA   ASN  81           HA       ASN  81  -9.146  -6.382   1.667
  570   1HB   ASN  81          2HB       ASN  81  -7.311  -7.353   0.375
  571   2HB   ASN  81          1HB       ASN  81  -8.783  -8.279   0.100
  572   1HD2  ASN  81          1HD2      ASN  81  -6.294  -6.464  -1.457
  573   2HD2  ASN  81          2HD2      ASN  81  -6.980  -6.444  -3.009
  574    H    SER  82           H        SER  82 -10.197  -3.850   0.301
  575    HA   SER  82           HA       SER  82  -8.074  -2.492  -0.987
  576   1HB   SER  82          2HB       SER  82 -10.519  -1.683   0.543
  577   2HB   SER  82          1HB       SER  82  -9.360  -0.451   0.036
  578    HG   SER  82           HG       SER  82 -10.278  -0.591  -1.824
  579    H    ARG  83           H        ARG  83  -6.821  -0.669   0.044
  580    HA   ARG  83           HA       ARG  83  -6.467  -0.756   2.952
  581   1HB   ARG  83          2HB       ARG  83  -4.989  -2.590   1.283
  582   2HB   ARG  83          1HB       ARG  83  -3.844  -1.465   2.000
  583   1HG   ARG  83          2HG       ARG  83  -5.949  -2.925   3.624
  584   2HG   ARG  83          1HG       ARG  83  -4.333  -3.570   3.356
  585   1HD   ARG  83          2HD       ARG  83  -3.390  -2.114   4.850
  586   2HD   ARG  83          1HD       ARG  83  -4.378  -0.758   4.316
  587    HE   ARG  83           HE       ARG  83  -6.228  -2.244   5.636
  588   1HH1  ARG  83          1HH2      ARG  83  -2.972  -1.367   6.404
  589   2HH1  ARG  83          2HH2      ARG  83  -3.264  -1.303   8.108
  590   1HH2  ARG  83          1HH1      ARG  83  -6.610  -2.151   7.844
  591   2HH2  ARG  83          2HH1      ARG  83  -5.316  -1.738   8.909
  592    H    LEU  84           H        LEU  84  -5.231   0.931   3.776
  593    HA   LEU  84           HA       LEU  84  -4.495   3.064   1.833
  594   1HB   LEU  84          2HB       LEU  84  -4.875   2.982   4.844
  595   2HB   LEU  84          1HB       LEU  84  -4.114   4.356   4.049
  596    HG   LEU  84           HG       LEU  84  -6.614   4.587   4.450
  597   1HD1  LEU  84          1HD1      LEU  84  -6.131   4.659   1.477
  598   2HD1  LEU  84          2HD1      LEU  84  -5.196   5.713   2.529
  599   3HD1  LEU  84          3HD1      LEU  84  -6.948   5.829   2.509
  600   1HD2  LEU  84          1HD2      LEU  84  -6.845   2.622   2.159
  601   2HD2  LEU  84          2HD2      LEU  84  -8.150   3.341   3.099
  602   3HD2  LEU  84          3HD2      LEU  84  -7.074   2.162   3.847
  603    H    CYS  85           H        CYS  85  -2.573   2.297   1.012
  604    HA   CYS  85           HA       CYS  85  -0.556   0.820   1.924
  605   1HB   CYS  85          2HB       CYS  85  -0.788   2.701  -0.093
  606   2HB   CYS  85          1HB       CYS  85   0.624   3.262   0.785
  607    HG   CYS  85           HG       CYS  85   0.409   0.352  -0.350
  608    H    CYS  86           H        CYS  86  -0.719   4.282   3.000
  609    HA   CYS  86           HA       CYS  86   1.740   4.178   4.396
  610   1HB   CYS  86          2HB       CYS  86   0.981   6.068   5.694
  611   2HB   CYS  86          1HB       CYS  86   0.447   6.261   4.021
  612    H    GLN  87           H        GLN  87  -1.509   3.356   5.692
  613    HA   GLN  87           HA       GLN  87  -0.398   2.739   8.300
  614   1HB   GLN  87          2HB       GLN  87  -2.830   3.398   7.709
  615   2HB   GLN  87          1HB       GLN  87  -3.044   1.701   7.291
  616   1HG   GLN  87          2HG       GLN  87  -3.711   1.891   9.577
  617   2HG   GLN  87          1HG       GLN  87  -2.117   1.145   9.610
  618   1HE2  GLN  87          1HE2      GLN  87  -2.825   2.386  11.937
  619   2HE2  GLN  87          2HE2      GLN  87  -2.017   3.868  12.118
  620    H    ILE  88           H        ILE  88   1.039   1.277   6.278
  621    HA   ILE  88           HA       ILE  88   0.416  -1.506   7.189
  622    HB   ILE  88           HB       ILE  88   0.965  -0.553   4.362
  623   1HG1  ILE  88          2HG1      ILE  88  -1.028  -2.525   5.523
  624   2HG1  ILE  88          1HG1      ILE  88  -1.378  -0.824   5.232
  625   1HG2  ILE  88          1HG2      ILE  88   1.143  -3.099   3.898
  626   2HG2  ILE  88          2HG2      ILE  88   1.516  -3.245   5.614
  627   3HG2  ILE  88          3HG2      ILE  88   2.561  -2.293   4.567
  628   1HD1  ILE  88          1HD1      ILE  88  -0.231  -2.016   2.838
  629   2HD1  ILE  88          2HD1      ILE  88  -1.794  -1.234   3.053
  630   3HD1  ILE  88          3HD1      ILE  88  -1.616  -2.952   3.400
  631    H    ILE  89           H        ILE  89   2.242  -2.760   7.620
  632    HA   ILE  89           HA       ILE  89   4.906  -1.385   7.478
  633    HB   ILE  89           HB       ILE  89   3.575  -2.895   9.721
  634   1HG1  ILE  89          2HG1      ILE  89   4.639  -1.172  11.096
  635   2HG1  ILE  89          1HG1      ILE  89   5.541  -0.585   9.697
  636   1HG2  ILE  89          1HG2      ILE  89   5.480  -4.305   9.480
  637   2HG2  ILE  89          2HG2      ILE  89   5.915  -3.165  10.752
  638   3HG2  ILE  89          3HG2      ILE  89   6.541  -2.944   9.115
  639   1HD1  ILE  89          1HD1      ILE  89   3.716   0.481   8.800
  640   2HD1  ILE  89          2HD1      ILE  89   3.238   0.542  10.491
  641   3HD1  ILE  89          3HD1      ILE  89   2.565  -0.696   9.435
  642    H    MET  90           H        MET  90   6.365  -2.514   6.328
  643    HA   MET  90           HA       MET  90   5.643  -5.190   5.306
  644   1HB   MET  90          2HB       MET  90   7.220  -2.912   4.467
  645   2HB   MET  90          1HB       MET  90   8.212  -4.364   4.371
  646   1HG   MET  90          2HG       MET  90   5.419  -4.410   3.234
  647   2HG   MET  90          1HG       MET  90   6.706  -3.638   2.333
  648   1HE   MET  90          1HE       MET  90   5.935  -7.235   4.228
  649   2HE   MET  90          2HE       MET  90   5.781  -7.986   2.650
  650   3HE   MET  90          3HE       MET  90   4.811  -6.574   3.029
  651    H    THR  91           H        THR  91   7.271  -6.928   5.360
  652    HA   THR  91           HA       THR  91   9.303  -6.794   7.484
  653    HB   THR  91           HB       THR  91   8.377  -8.825   8.611
  654    HG1  THR  91           1HG      THR  91   5.871  -8.646   7.860
  655   1HG2  THR  91          1HG2      THR  91   7.898  -6.438   9.347
  656   2HG2  THR  91          2HG2      THR  91   6.761  -7.661   9.912
  657   3HG2  THR  91          3HG2      THR  91   6.329  -6.610   8.557
  658    HA   PRO  92           HA       PRO  92  11.361  -9.398   4.580
  659   1HB   PRO  92          2HB       PRO  92  12.828 -11.031   6.301
  660   2HB   PRO  92          1HB       PRO  92  13.317  -9.410   5.785
  661   1HG   PRO  92          2HG       PRO  92  12.003 -10.279   8.317
  662   2HG   PRO  92          1HG       PRO  92  13.246  -9.040   8.058
  663   1HD   PRO  92          2HD       PRO  92  10.653  -8.390   8.468
  664   2HD   PRO  92          1HD       PRO  92  11.694  -7.433   7.386
  665    H    GLU  93           H        GLU  93   9.688 -10.963   7.293
  666    HA   GLU  93           HA       GLU  93   9.628 -13.592   6.150
  667   1HB   GLU  93          2HB       GLU  93   7.582 -13.821   7.711
  668   2HB   GLU  93          1HB       GLU  93   9.130 -13.446   8.468
  669   1HG   GLU  93          2HG       GLU  93   8.565 -11.166   8.761
  670   2HG   GLU  93          1HG       GLU  93   7.225 -11.259   7.622
  671    H    LEU  94           H        LEU  94   7.589 -10.736   5.756
  672    HA   LEU  94           HA       LEU  94   5.679 -12.287   4.110
  673   1HB   LEU  94          2HB       LEU  94   5.662  -9.596   5.393
  674   2HB   LEU  94          1HB       LEU  94   4.791  -9.678   3.881
  675    HG   LEU  94           HG       LEU  94   4.356 -11.621   6.176
  676   1HD1  LEU  94          1HD1      LEU  94   3.762  -9.153   6.634
  677   2HD1  LEU  94          2HD1      LEU  94   2.484 -10.344   6.867
  678   3HD1  LEU  94          3HD1      LEU  94   2.510  -9.356   5.407
  679   1HD2  LEU  94          1HD2      LEU  94   2.210 -11.132   4.181
  680   2HD2  LEU  94          2HD2      LEU  94   2.790 -12.641   4.866
  681   3HD2  LEU  94          3HD2      LEU  94   3.634 -11.906   3.515
  682    H    ASP  95           H        ASP  95   8.447 -11.943   3.238
  683    HA   ASP  95           HA       ASP  95   8.718  -9.959   1.230
  684   1HB   ASP  95          2HB       ASP  95  10.538 -11.292   0.374
  685   2HB   ASP  95          1HB       ASP  95  10.541 -11.464   2.132
  686    H    GLY  96           H        GLY  96   7.926  -9.778  -0.816
  687   1HA   GLY  96          2HA       GLY  96   7.312 -10.809  -2.967
  688   2HA   GLY  96          1HA       GLY  96   6.580 -12.142  -2.079
  689    H    ILE  97           H        ILE  97   5.916  -9.140  -0.637
  690    HA   ILE  97           HA       ILE  97   3.115  -9.418  -1.073
  691    HB   ILE  97           HB       ILE  97   3.661  -8.193   0.863
  692   1HG1  ILE  97          2HG1      ILE  97   2.901  -5.864   0.593
  693   2HG1  ILE  97          1HG1      ILE  97   3.049  -5.984  -1.140
  694   1HG2  ILE  97          1HG2      ILE  97   5.485  -6.628  -0.912
  695   2HG2  ILE  97          2HG2      ILE  97   5.964  -7.727   0.368
  696   3HG2  ILE  97          3HG2      ILE  97   5.181  -6.196   0.749
  697   1HD1  ILE  97          1HD1      ILE  97   0.874  -6.590  -1.114
  698   2HD1  ILE  97          2HD1      ILE  97   0.910  -6.849   0.619
  699   3HD1  ILE  97          3HD1      ILE  97   1.398  -8.138  -0.464
  700    H    VAL  98           H        VAL  98   1.878  -8.919  -2.825
  701    HA   VAL  98           HA       VAL  98   3.058  -7.132  -4.926
  702    HB   VAL  98           HB       VAL  98   0.560  -8.798  -5.198
  703   1HG1  VAL  98          1HG1      VAL  98   1.278  -8.790  -7.591
  704   2HG1  VAL  98          2HG1      VAL  98   2.639  -7.759  -7.146
  705   3HG1  VAL  98          3HG1      VAL  98   0.987  -7.167  -6.962
  706   1HG2  VAL  98          1HG2      VAL  98   2.113 -10.534  -6.217
  707   2HG2  VAL  98          2HG2      VAL  98   2.215 -10.382  -4.467
  708   3HG2  VAL  98          3HG2      VAL  98   3.452  -9.650  -5.492
  709    H    VAL  99           H        VAL  99   2.291  -5.010  -4.979
  710    HA   VAL  99           HA       VAL  99  -0.328  -4.425  -3.672
  711    HB   VAL  99           HB       VAL  99   1.720  -2.372  -4.491
  712   1HG1  VAL  99          1HG1      VAL  99   0.870  -1.253  -2.445
  713   2HG1  VAL  99          2HG1      VAL  99  -0.181  -2.636  -2.140
  714   3HG1  VAL  99          3HG1      VAL  99  -0.435  -1.638  -3.572
  715   1HG2  VAL  99          1HG2      VAL  99   2.779  -2.692  -2.220
  716   2HG2  VAL  99          2HG2      VAL  99   3.107  -3.981  -3.380
  717   3HG2  VAL  99          3HG2      VAL  99   1.906  -4.220  -2.101
  718    H    ASP 100           H        ASP 100  -1.942  -3.636  -4.917
  719    HA   ASP 100           HA       ASP 100  -1.364  -3.007  -7.784
  720   1HB   ASP 100          2HB       ASP 100  -3.588  -4.355  -6.376
  721   2HB   ASP 100          1HB       ASP 100  -4.072  -3.294  -7.697
  722    H    VAL 101           H        VAL 101  -1.303  -0.955  -8.261
  723    HA   VAL 101           HA       VAL 101  -2.735   1.040  -6.579
  724    HB   VAL 101           HB       VAL 101  -0.530   1.540  -8.581
  725   1HG1  VAL 101          1HG1      VAL 101  -0.251   3.611  -7.232
  726   2HG1  VAL 101          2HG1      VAL 101  -1.647   3.139  -6.257
  727   3HG1  VAL 101          3HG1      VAL 101  -1.847   3.510  -7.976
  728   1HG2  VAL 101          1HG2      VAL 101   0.939   1.644  -6.529
  729   2HG2  VAL 101          2HG2      VAL 101   0.359   0.024  -6.917
  730   3HG2  VAL 101          3HG2      VAL 101  -0.393   0.941  -5.614
  731    HA   PRO 102           HA       PRO 102  -5.259   1.499 -10.354
  732   1HB   PRO 102          2HB       PRO 102  -7.186   3.111  -9.380
  733   2HB   PRO 102          1HB       PRO 102  -7.050   1.429  -8.857
  734   1HG   PRO 102          2HG       PRO 102  -6.125   3.884  -7.469
  735   2HG   PRO 102          1HG       PRO 102  -6.971   2.463  -6.822
  736   1HD   PRO 102          2HD       PRO 102  -4.237   2.835  -6.626
  737   2HD   PRO 102          1HD       PRO 102  -5.029   1.241  -6.603
  738    H    ASP 103           H        ASP 103  -6.317   3.445 -11.498
  739    HA   ASP 103           HA       ASP 103  -4.269   5.496 -11.932
  740   1HB   ASP 103          2HB       ASP 103  -7.003   5.364 -13.210
  741   2HB   ASP 103          1HB       ASP 103  -5.546   6.129 -13.848
  742    H    ARG 104           H        ARG 104  -7.051   5.110 -10.024
  743    HA   ARG 104           HA       ARG 104  -7.293   8.060  -9.560
  744   1HB   ARG 104          2HB       ARG 104  -9.660   7.041  -8.615
  745   2HB   ARG 104          1HB       ARG 104  -9.440   7.641 -10.260
  746   1HG   ARG 104          2HG       ARG 104  -8.710   5.174 -10.805
  747   2HG   ARG 104          1HG       ARG 104  -9.475   4.774  -9.282
  748   1HD   ARG 104          2HD       ARG 104 -11.547   4.906 -10.226
  749   2HD   ARG 104          1HD       ARG 104 -11.196   6.459 -10.980
  750    HE   ARG 104           HE       ARG 104  -9.764   4.501 -12.435
  751   1HH1  ARG 104          1HH2      ARG 104 -12.992   5.399 -11.619
  752   2HH1  ARG 104          2HH2      ARG 104 -13.682   4.782 -13.082
  753   1HH2  ARG 104          1HH1      ARG 104 -10.638   3.684 -14.353
  754   2HH2  ARG 104          2HH1      ARG 104 -12.344   3.803 -14.638
  755    H    GLN 105           H        GLN 105  -5.649   7.975  -7.955
  756    HA   GLN 105           HA       GLN 105  -6.013   6.169  -5.656
  757   1HB   GLN 105          2HB       GLN 105  -3.934   7.214  -4.829
  758   2HB   GLN 105          1HB       GLN 105  -3.736   6.691  -6.508
  759   1HG   GLN 105          2HG       GLN 105  -4.457   9.093  -7.141
  760   2HG   GLN 105          1HG       GLN 105  -4.139   9.496  -5.460
  761   1HE2  GLN 105          1HE2      GLN 105  -2.659  10.106  -8.147
  762   2HE2  GLN 105          2HE2      GLN 105  -1.045   9.716  -7.794
  763    H    TRP 106           H        TRP 106  -6.449   9.520  -6.557
  764    HA   TRP 106           HA       TRP 106  -7.343  11.352  -5.412
  765   1HB   TRP 106          2HB       TRP 106  -9.363  10.115  -5.756
  766   2HB   TRP 106          1HB       TRP 106  -8.974   8.997  -4.451
  767    HD1  TRP 106           HD       TRP 106 -10.271   9.440  -2.373
  768    HE1  TRP 106           1HE      TRP 106 -11.354  11.509  -1.234
  769    HE3  TRP 106           3HE      TRP 106  -8.846  13.105  -5.627
  770    HZ2  TRP 106           2HZ      TRP 106 -11.529  14.309  -1.622
  771    HZ3  TRP 106           3HZ      TRP 106  -9.478  15.464  -5.216
  772    HH2  TRP 106           HH       TRP 106 -10.818  16.071  -3.219
  Start of MODEL    2
    1   1H    SER   1          1HT       SER   1  12.774  -6.751   1.443
    2   2H    SER   1          2HT       SER   1  12.661  -7.611   2.901
    3   3H    SER   1          3HT       SER   1  11.883  -6.109   2.734
    4    HA   SER   1           HA       SER   1  11.042  -8.740   1.861
    5   1HB   SER   1          2HB       SER   1   8.821  -7.619   2.110
    6   2HB   SER   1          1HB       SER   1   9.813  -7.511   3.557
    7    HG   SER   1           HG       SER   1  10.481  -5.452   2.129
    8    H    LYS   2           H        LYS   2  10.213  -9.216  -0.170
    9    HA   LYS   2           HA       LYS   2  10.935  -7.393  -2.331
   10   1HB   LYS   2          2HB       LYS   2   9.796 -10.154  -2.075
   11   2HB   LYS   2          1HB       LYS   2   9.516  -9.306  -3.587
   12   1HG   LYS   2          2HG       LYS   2  12.307  -9.348  -2.459
   13   2HG   LYS   2          1HG       LYS   2  11.701 -10.805  -3.238
   14   1HD   LYS   2          2HD       LYS   2  11.400  -8.157  -4.645
   15   2HD   LYS   2          1HD       LYS   2  12.964  -8.968  -4.661
   16   1HE   LYS   2          2HE       LYS   2  10.400 -10.370  -5.457
   17   2HE   LYS   2          1HE       LYS   2  11.417  -9.515  -6.619
   18   1HZ   LYS   2          1HZ       LYS   2  12.952 -11.243  -4.960
   19   2HZ   LYS   2          2HZ       LYS   2  12.847 -11.191  -6.649
   20   3HZ   LYS   2          3HZ       LYS   2  11.727 -12.101  -5.753
   21    H    VAL   3           H        VAL   3   9.637  -5.627  -2.622
   22    HA   VAL   3           HA       VAL   3   6.673  -5.957  -2.296
   23    HB   VAL   3           HB       VAL   3   8.557  -3.607  -2.140
   24   1HG1  VAL   3          1HG1      VAL   3   6.486  -2.222  -1.769
   25   2HG1  VAL   3          2HG1      VAL   3   5.547  -3.562  -2.409
   26   3HG1  VAL   3          3HG1      VAL   3   6.733  -2.743  -3.425
   27   1HG2  VAL   3          1HG2      VAL   3   8.321  -4.763  -0.068
   28   2HG2  VAL   3          2HG2      VAL   3   6.581  -4.899  -0.262
   29   3HG2  VAL   3          3HG2      VAL   3   7.301  -3.335   0.048
   30    H    VAL   4           H        VAL   4   5.785  -6.464  -4.283
   31    HA   VAL   4           HA       VAL   4   6.873  -5.146  -6.711
   32    HB   VAL   4           HB       VAL   4   4.875  -7.372  -6.464
   33   1HG1  VAL   4          1HG1      VAL   4   4.644  -6.152  -8.567
   34   2HG1  VAL   4          2HG1      VAL   4   5.420  -7.704  -8.879
   35   3HG1  VAL   4          3HG1      VAL   4   6.387  -6.230  -8.821
   36   1HG2  VAL   4          1HG2      VAL   4   6.956  -8.186  -5.639
   37   2HG2  VAL   4          2HG2      VAL   4   7.862  -7.316  -6.876
   38   3HG2  VAL   4          3HG2      VAL   4   6.881  -8.712  -7.318
   39    H    TYR   5           H        TYR   5   6.032  -3.198  -6.738
   40    HA   TYR   5           HA       TYR   5   3.230  -2.534  -6.205
   41   1HB   TYR   5          2HB       TYR   5   5.207  -0.868  -7.777
   42   2HB   TYR   5          1HB       TYR   5   3.711  -0.313  -7.033
   43    HD1  TYR   5           1HD      TYR   5   7.212  -0.911  -6.553
   44    HD2  TYR   5           2HD      TYR   5   3.485  -0.488  -4.479
   45    HE1  TYR   5           1HE      TYR   5   8.421  -0.396  -4.511
   46    HE2  TYR   5           2HE      TYR   5   4.720   0.014  -2.378
   47    HH   TYR   5           HH       TYR   5   7.957   0.811  -2.291
   48    H    VAL   6           H        VAL   6   1.656  -3.219  -7.585
   49    HA   VAL   6           HA       VAL   6   2.338  -3.592 -10.472
   50    HB   VAL   6           HB       VAL   6  -0.023  -4.487  -8.800
   51   1HG1  VAL   6          1HG1      VAL   6   0.568  -4.743 -11.751
   52   2HG1  VAL   6          2HG1      VAL   6  -0.885  -4.094 -10.991
   53   3HG1  VAL   6          3HG1      VAL   6  -0.547  -5.823 -10.915
   54   1HG2  VAL   6          1HG2      VAL   6   0.945  -6.747  -9.373
   55   2HG2  VAL   6          2HG2      VAL   6   1.985  -5.762  -8.348
   56   3HG2  VAL   6          3HG2      VAL   6   2.335  -5.908 -10.072
   57    H    SER   7           H        SER   7   2.023  -1.808 -11.623
   58    HA   SER   7           HA       SER   7   0.260   0.339 -10.826
   59   1HB   SER   7          2HB       SER   7   0.859   1.294 -13.060
   60   2HB   SER   7          1HB       SER   7   2.270   0.815 -12.124
   61    HG   SER   7           HG       SER   7   1.161  -0.301 -14.424
   62    H    HIS   8           H        HIS   8  -0.890   1.020 -13.327
   63    HA   HIS   8           HA       HIS   8  -3.184  -0.839 -13.317
   64   1HB   HIS   8          2HB       HIS   8  -3.943   1.058 -15.100
   65   2HB   HIS   8          1HB       HIS   8  -4.099   1.285 -13.357
   66    HD1  HIS   8           1HD      HIS   8  -1.545   2.150 -12.334
   67    HD2  HIS   8           2HD      HIS   8  -2.731   3.289 -16.166
   68    HE1  HIS   8           1HE      HIS   8  -0.211   4.233 -12.910
   69    HE2  HIS   8           2HE      HIS   8  -0.916   4.925 -15.252
   70    H    ASP   9           H        ASP   9  -0.976   0.641 -15.719
   71    HA   ASP   9           HA       ASP   9  -1.910  -0.958 -17.885
   72   1HB   ASP   9          2HB       ASP   9   0.334  -0.306 -18.921
   73   2HB   ASP   9          1HB       ASP   9  -0.704   1.029 -18.422
   74    H    GLY  10           H        GLY  10  -0.523  -2.134 -15.163
   75   1HA   GLY  10          2HA       GLY  10   0.105  -4.421 -14.879
   76   2HA   GLY  10          1HA       GLY  10   0.458  -4.530 -16.597
   77    H    THR  11           H        THR  11   1.904  -1.727 -15.638
   78    HA   THR  11           HA       THR  11   4.550  -2.819 -15.810
   79    HB   THR  11           HB       THR  11   3.356  -0.222 -15.734
   80    HG1  THR  11           1HG      THR  11   4.731  -0.661 -17.320
   81   1HG2  THR  11          1HG2      THR  11   5.744  -0.478 -13.880
   82   2HG2  THR  11          2HG2      THR  11   4.109  -0.015 -13.395
   83   3HG2  THR  11          3HG2      THR  11   5.048   1.037 -14.449
   84    H    ARG  12           H        ARG  12   5.804  -3.690 -14.245
   85    HA   ARG  12           HA       ARG  12   4.817  -3.604 -11.417
   86   1HB   ARG  12          2HB       ARG  12   6.768  -5.573 -12.639
   87   2HB   ARG  12          1HB       ARG  12   5.972  -5.680 -11.072
   88   1HG   ARG  12          2HG       ARG  12   3.823  -5.992 -12.090
   89   2HG   ARG  12          1HG       ARG  12   4.473  -5.645 -13.696
   90   1HD   ARG  12          2HD       ARG  12   5.146  -7.817 -13.958
   91   2HD   ARG  12          1HD       ARG  12   5.963  -7.817 -12.398
   92    HE   ARG  12           HE       ARG  12   3.733  -8.265 -11.357
   93   1HH1  ARG  12          1HH2      ARG  12   4.249  -9.086 -14.732
   94   2HH1  ARG  12          2HH2      ARG  12   2.830 -10.069 -14.801
   95   1HH2  ARG  12          1HH1      ARG  12   1.928  -9.503 -11.500
   96   2HH2  ARG  12          2HH1      ARG  12   1.518 -10.304 -12.980
   97    H    ARG  13           H        ARG  13   6.444  -3.564  -9.743
   98    HA   ARG  13           HA       ARG  13   9.160  -2.604 -10.414
   99   1HB   ARG  13          2HB       ARG  13   6.973  -0.920  -9.304
  100   2HB   ARG  13          1HB       ARG  13   8.515  -0.781  -8.467
  101   1HG   ARG  13          2HG       ARG  13   9.569   0.240 -10.248
  102   2HG   ARG  13          1HG       ARG  13   8.632  -0.631 -11.450
  103   1HD   ARG  13          2HD       ARG  13   7.168   1.104 -11.654
  104   2HD   ARG  13          1HD       ARG  13   6.930   1.205  -9.915
  105    HE   ARG  13           HE       ARG  13   9.419   2.349 -10.298
  106   1HH1  ARG  13          1HH2      ARG  13   6.248   2.751 -11.595
  107   2HH1  ARG  13          2HH2      ARG  13   6.434   4.450 -11.872
  108   1HH2  ARG  13          1HH1      ARG  13   9.668   4.571 -10.642
  109   2HH2  ARG  13          2HH1      ARG  13   8.362   5.473 -11.338
  110    H    GLU  14           H        GLU  14  10.363  -3.979  -9.133
  111    HA   GLU  14           HA       GLU  14   9.161  -4.955  -6.591
  112   1HB   GLU  14          2HB       GLU  14  11.769  -5.958  -7.731
  113   2HB   GLU  14          1HB       GLU  14  10.572  -6.818  -6.759
  114   1HG   GLU  14          2HG       GLU  14   8.972  -6.493  -8.748
  115   2HG   GLU  14          1HG       GLU  14  10.401  -6.039  -9.670
  116    H    LEU  15           H        LEU  15   9.800  -4.208  -4.721
  117    HA   LEU  15           HA       LEU  15  12.260  -2.526  -4.517
  118   1HB   LEU  15          2HB       LEU  15   9.508  -2.224  -3.745
  119   2HB   LEU  15          1HB       LEU  15  10.450  -2.274  -2.280
  120    HG   LEU  15           HG       LEU  15  10.070  -0.032  -3.145
  121   1HD1  LEU  15          1HD1      LEU  15  12.186   0.822  -2.645
  122   2HD1  LEU  15          2HD1      LEU  15  12.996  -0.632  -3.243
  123   3HD1  LEU  15          3HD1      LEU  15  12.052  -0.688  -1.751
  124   1HD2  LEU  15          1HD2      LEU  15  12.107  -0.434  -5.306
  125   2HD2  LEU  15          2HD2      LEU  15  10.843   0.772  -5.179
  126   3HD2  LEU  15          3HD2      LEU  15  10.431  -0.877  -5.629
  127    H    ASP  16           H        ASP  16  12.712  -2.350  -2.049
  128    HA   ASP  16           HA       ASP  16  12.767  -4.988  -0.718
  129   1HB   ASP  16          2HB       ASP  16  15.079  -3.216  -1.497
  130   2HB   ASP  16          1HB       ASP  16  15.166  -4.063   0.030
  131    H    VAL  17           H        VAL  17  11.288  -4.303   0.854
  132    HA   VAL  17           HA       VAL  17  11.791  -1.700   2.257
  133    HB   VAL  17           HB       VAL  17   9.257  -3.390   2.247
  134   1HG1  VAL  17          1HG1      VAL  17   9.073  -1.890   4.013
  135   2HG1  VAL  17          2HG1      VAL  17   8.328  -0.992   2.698
  136   3HG1  VAL  17          3HG1      VAL  17   9.982  -0.627   3.182
  137   1HG2  VAL  17          1HG2      VAL  17   8.542  -1.499   0.586
  138   2HG2  VAL  17          2HG2      VAL  17   9.548  -2.810  -0.032
  139   3HG2  VAL  17          3HG2      VAL  17  10.268  -1.254   0.355
  140    H    ALA  18           H        ALA  18  12.869  -1.994   4.121
  141    HA   ALA  18           HA       ALA  18  13.210  -4.578   5.342
  142   1HB   ALA  18          1HB       ALA  18  14.549  -3.446   6.970
  143   2HB   ALA  18          2HB       ALA  18  13.774  -1.900   6.623
  144   3HB   ALA  18          3HB       ALA  18  14.840  -2.641   5.432
  145    H    ASP  19           H        ASP  19  12.933  -4.587   7.900
  146    HA   ASP  19           HA       ASP  19  10.119  -4.742   8.396
  147   1HB   ASP  19          2HB       ASP  19  10.925  -5.189  10.770
  148   2HB   ASP  19          1HB       ASP  19  11.508  -6.294   9.531
  149    H    GLY  20           H        GLY  20   8.803  -3.395   9.382
  150   1HA   GLY  20          2HA       GLY  20   8.111  -1.568  10.782
  151   2HA   GLY  20          1HA       GLY  20   9.795  -1.091  10.942
  152    H    VAL  21           H        VAL  21   9.910  -1.327   7.799
  153    HA   VAL  21           HA       VAL  21   9.340   1.497   7.405
  154    HB   VAL  21           HB       VAL  21  10.171  -0.627   5.435
  155   1HG1  VAL  21          1HG1      VAL  21  11.000   1.312   4.114
  156   2HG1  VAL  21          2HG1      VAL  21  10.214   2.380   5.279
  157   3HG1  VAL  21          3HG1      VAL  21   9.246   1.279   4.289
  158   1HG2  VAL  21          1HG2      VAL  21  11.967   1.416   6.709
  159   2HG2  VAL  21          2HG2      VAL  21  12.417  -0.031   5.802
  160   3HG2  VAL  21          3HG2      VAL  21  11.721  -0.184   7.418
  161    H    SER  22           H        SER  22   7.604   2.368   6.294
  162    HA   SER  22           HA       SER  22   5.357   0.538   5.728
  163   1HB   SER  22          2HB       SER  22   4.124   2.360   6.321
  164   2HB   SER  22          1HB       SER  22   5.618   3.260   6.549
  165    HG   SER  22           HG       SER  22   3.889   3.150   4.351
  166    H    LEU  23           H        LEU  23   4.304   0.492   3.673
  167    HA   LEU  23           HA       LEU  23   6.014   0.219   1.435
  168   1HB   LEU  23          2HB       LEU  23   3.036   0.554   1.755
  169   2HB   LEU  23          1HB       LEU  23   3.740   0.466   0.141
  170    HG   LEU  23           HG       LEU  23   2.874  -1.730   1.231
  171   1HD1  LEU  23          1HD1      LEU  23   4.301  -1.592  -0.798
  172   2HD1  LEU  23          2HD1      LEU  23   4.605  -3.036   0.154
  173   3HD1  LEU  23          3HD1      LEU  23   5.716  -1.675   0.234
  174   1HD2  LEU  23          1HD2      LEU  23   4.111  -1.256   3.414
  175   2HD2  LEU  23          2HD2      LEU  23   5.593  -1.687   2.559
  176   3HD2  LEU  23          3HD2      LEU  23   4.304  -2.869   2.747
  177    H    MET  24           H        MET  24   3.564   2.804   1.842
  178    HA   MET  24           HA       MET  24   4.436   4.465  -0.229
  179   1HB   MET  24          2HB       MET  24   2.432   5.096   0.846
  180   2HB   MET  24          1HB       MET  24   3.176   5.040   2.438
  181   1HG   MET  24          2HG       MET  24   2.736   7.370   1.561
  182   2HG   MET  24          1HG       MET  24   4.409   7.071   2.028
  183   1HE   MET  24          1HE       MET  24   5.398   8.930   0.820
  184   2HE   MET  24          2HE       MET  24   3.817   9.518   0.310
  185   3HE   MET  24          3HE       MET  24   5.116   9.378  -0.861
  186    H    GLN  25           H        GLN  25   6.096   3.643   2.655
  187    HA   GLN  25           HA       GLN  25   7.736   6.052   2.753
  188   1HB   GLN  25          2HB       GLN  25   7.166   4.261   4.644
  189   2HB   GLN  25          1HB       GLN  25   8.606   3.472   4.020
  190   1HG   GLN  25          2HG       GLN  25   8.498   6.356   4.944
  191   2HG   GLN  25          1HG       GLN  25   9.114   5.015   5.908
  192   1HE2  GLN  25          1HE2      GLN  25  10.678   7.340   4.940
  193   2HE2  GLN  25          2HE2      GLN  25  11.907   6.709   3.956
  194    H    ALA  26           H        ALA  26   8.765   2.616   2.163
  195    HA   ALA  26           HA       ALA  26  11.230   3.325   0.964
  196   1HB   ALA  26          1HB       ALA  26  11.014   1.059  -0.187
  197   2HB   ALA  26          2HB       ALA  26   9.424   0.931   0.557
  198   3HB   ALA  26          3HB       ALA  26  10.869   1.038   1.567
  199    H    ALA  27           H        ALA  27   8.009   3.566  -0.355
  200    HA   ALA  27           HA       ALA  27   8.707   3.457  -3.135
  201   1HB   ALA  27          1HB       ALA  27   6.422   4.538  -1.520
  202   2HB   ALA  27          2HB       ALA  27   6.400   3.343  -2.815
  203   3HB   ALA  27          3HB       ALA  27   6.559   5.056  -3.199
  204    H    VAL  28           H        VAL  28   9.248   5.757  -0.668
  205    HA   VAL  28           HA       VAL  28   9.642   8.036  -2.506
  206    HB   VAL  28           HB       VAL  28  10.151   7.752   0.468
  207   1HG1  VAL  28          1HG1      VAL  28  10.392  10.080  -1.443
  208   2HG1  VAL  28          2HG1      VAL  28  11.586   9.488  -0.286
  209   3HG1  VAL  28          3HG1      VAL  28  10.142  10.323   0.284
  210   1HG2  VAL  28          1HG2      VAL  28   7.949   9.191  -1.048
  211   2HG2  VAL  28          2HG2      VAL  28   8.102   9.061   0.704
  212   3HG2  VAL  28          3HG2      VAL  28   7.761   7.624  -0.260
  213    H    SER  29           H        SER  29  11.483   5.533  -0.989
  214    HA   SER  29           HA       SER  29  14.073   6.832  -1.295
  215   1HB   SER  29          2HB       SER  29  14.595   5.159   0.155
  216   2HB   SER  29          1HB       SER  29  12.992   4.479  -0.080
  217    HG   SER  29           HG       SER  29  14.052   2.908  -0.987
  218    H    ASN  30           H        ASN  30  11.981   4.835  -3.222
  219    HA   ASN  30           HA       ASN  30  14.104   4.531  -5.309
  220   1HB   ASN  30          2HB       ASN  30  11.536   3.048  -4.717
  221   2HB   ASN  30          1HB       ASN  30  12.369   2.901  -6.263
  222   1HD2  ASN  30          1HD2      ASN  30  13.605   3.106  -2.883
  223   2HD2  ASN  30          2HD2      ASN  30  14.529   1.683  -2.973
  224    H    GLY  31           H        GLY  31  11.668   6.529  -4.361
  225   1HA   GLY  31          2HA       GLY  31  10.493   8.224  -5.509
  226   2HA   GLY  31          1HA       GLY  31  11.561   7.915  -6.883
  227    H    ILE  32           H        ILE  32   8.677   6.636  -5.245
  228    HA   ILE  32           HA       ILE  32   7.673   5.679  -7.920
  229    HB   ILE  32           HB       ILE  32   7.526   4.380  -5.196
  230   1HG1  ILE  32          2HG1      ILE  32   8.294   3.233  -7.883
  231   2HG1  ILE  32          1HG1      ILE  32   9.461   3.994  -6.797
  232   1HG2  ILE  32          1HG2      ILE  32   5.823   3.887  -7.644
  233   2HG2  ILE  32          2HG2      ILE  32   5.289   4.166  -5.983
  234   3HG2  ILE  32          3HG2      ILE  32   6.082   2.649  -6.412
  235   1HD1  ILE  32          1HD1      ILE  32   7.648   1.789  -5.827
  236   2HD1  ILE  32          2HD1      ILE  32   9.169   2.351  -5.129
  237   3HD1  ILE  32          3HD1      ILE  32   9.171   1.428  -6.640
  238    H    TYR  33           H        TYR  33   6.592   6.626  -4.643
  239    HA   TYR  33           HA       TYR  33   4.028   7.565  -5.826
  240   1HB   TYR  33          2HB       TYR  33   4.514   6.314  -3.451
  241   2HB   TYR  33          1HB       TYR  33   4.661   7.984  -2.919
  242    HD1  TYR  33           1HD      TYR  33   2.425   5.985  -5.193
  243    HD2  TYR  33           2HD      TYR  33   2.693   8.941  -2.085
  244    HE1  TYR  33           1HE      TYR  33  -0.046   6.169  -5.158
  245    HE2  TYR  33           2HE      TYR  33   0.222   9.120  -2.056
  246    HH   TYR  33           HH       TYR  33  -1.702   8.206  -2.775
  247    H    ASP  34           H        ASP  34   3.929   9.792  -6.465
  248    HA   ASP  34           HA       ASP  34   5.999  11.611  -5.328
  249   1HB   ASP  34          2HB       ASP  34   5.326  13.038  -7.341
  250   2HB   ASP  34          1HB       ASP  34   6.230  11.569  -7.719
  251    H    ILE  35           H        ILE  35   4.216  11.400  -3.470
  252    HA   ILE  35           HA       ILE  35   2.381  13.709  -3.817
  253    HB   ILE  35           HB       ILE  35   1.308  11.041  -2.845
  254   1HG1  ILE  35          2HG1      ILE  35   1.080  12.349  -5.577
  255   2HG1  ILE  35          1HG1      ILE  35   1.814  10.786  -5.215
  256   1HG2  ILE  35          1HG2      ILE  35  -0.150  13.540  -3.750
  257   2HG2  ILE  35          2HG2      ILE  35   0.228  13.193  -2.068
  258   3HG2  ILE  35          3HG2      ILE  35  -0.846  12.128  -2.963
  259   1HD1  ILE  35          1HD1      ILE  35  -0.322  10.212  -6.015
  260   2HD1  ILE  35          2HD1      ILE  35  -1.098  11.552  -5.170
  261   3HD1  ILE  35          3HD1      ILE  35  -0.518  10.158  -4.261
  262    H    VAL  36           H        VAL  36   1.791  14.671  -1.846
  263    HA   VAL  36           HA       VAL  36   3.493  13.937   0.452
  264    HB   VAL  36           HB       VAL  36   1.536  16.228   0.075
  265   1HG1  VAL  36          1HG1      VAL  36   3.607  15.602   2.195
  266   2HG1  VAL  36          2HG1      VAL  36   1.872  15.813   2.423
  267   3HG1  VAL  36          3HG1      VAL  36   2.879  17.196   1.989
  268   1HG2  VAL  36          1HG2      VAL  36   3.384  16.384  -1.508
  269   2HG2  VAL  36          2HG2      VAL  36   4.551  16.065  -0.223
  270   3HG2  VAL  36          3HG2      VAL  36   3.629  17.567  -0.218
  271    H    GLY  37           H        GLY  37   2.660  12.348   1.752
  272   1HA   GLY  37          2HA       GLY  37   0.022  11.431   1.859
  273   2HA   GLY  37          1HA       GLY  37   1.139  11.309   3.219
  274    H    ASP  38           H        ASP  38  -1.731  12.759   2.132
  275    HA   ASP  38           HA       ASP  38  -1.813  15.253   3.393
  276   1HB   ASP  38          2HB       ASP  38  -3.661  14.109   2.040
  277   2HB   ASP  38          1HB       ASP  38  -4.108  13.289   3.536
  278    H    CYS  39           H        CYS  39  -2.879  12.164   4.897
  279    HA   CYS  39           HA       CYS  39  -2.935  13.332   7.556
  280   1HB   CYS  39          2HB       CYS  39  -3.398  11.117   8.343
  281   2HB   CYS  39          1HB       CYS  39  -4.218  11.252   6.789
  282    H    GLY  40           H        GLY  40  -0.364  13.223   5.764
  283   1HA   GLY  40          2HA       GLY  40   1.938  13.006   6.178
  284   2HA   GLY  40          1HA       GLY  40   1.522  13.069   7.898
  285    H    GLY  41           H        GLY  41  -0.256  10.721   6.342
  286   1HA   GLY  41          2HA       GLY  41   0.103   8.397   5.986
  287   2HA   GLY  41          1HA       GLY  41   1.726   8.552   6.668
  288    H    SER  42           H        SER  42  -0.956   9.997   8.329
  289    HA   SER  42           HA       SER  42  -0.578   8.048  10.559
  290   1HB   SER  42          2HB       SER  42  -1.947  10.752  10.497
  291   2HB   SER  42          1HB       SER  42  -1.727   9.750  11.930
  292    HG   SER  42           HG       SER  42   0.344  10.239  11.968
  293    H    ALA  43           H        ALA  43  -2.094   7.127   8.332
  294    HA   ALA  43           HA       ALA  43  -4.228   6.297   7.750
  295   1HB   ALA  43          1HB       ALA  43  -5.414   5.360   9.857
  296   2HB   ALA  43          2HB       ALA  43  -3.998   5.934  10.738
  297   3HB   ALA  43          3HB       ALA  43  -3.815   4.726   9.471
  298    H    SER  44           H        SER  44  -4.912   8.579   7.137
  299    HA   SER  44           HA       SER  44  -7.437   9.185   8.428
  300   1HB   SER  44          2HB       SER  44  -5.350  10.304   9.759
  301   2HB   SER  44          1HB       SER  44  -5.676  11.580   8.591
  302    HG   SER  44           HG       SER  44  -6.914  11.647  10.603
  303    H    CYS  45           H        CYS  45  -6.096   8.716   5.730
  304    HA   CYS  45           HA       CYS  45  -7.691  10.692   4.295
  305   1HB   CYS  45          2HB       CYS  45  -6.009  11.911   3.224
  306   2HB   CYS  45          1HB       CYS  45  -5.366  11.757   4.845
  307    H    ALA  46           H        ALA  46  -7.631  10.273   1.923
  308    HA   ALA  46           HA       ALA  46  -7.271   7.361   1.407
  309   1HB   ALA  46          1HB       ALA  46  -8.834   9.583   0.091
  310   2HB   ALA  46          2HB       ALA  46  -9.423   8.047   0.723
  311   3HB   ALA  46          3HB       ALA  46  -8.504   8.087  -0.779
  312    H    THR  47           H        THR  47  -5.330   9.916   1.313
  313    HA   THR  47           HA       THR  47  -4.353  10.244  -1.277
  314    HB   THR  47           HB       THR  47  -2.556  10.040   1.138
  315    HG1  THR  47           1HG      THR  47  -3.405  12.516   0.632
  316   1HG2  THR  47          1HG2      THR  47  -2.504  11.755  -1.356
  317   2HG2  THR  47          2HG2      THR  47  -1.466  10.367  -1.039
  318   3HG2  THR  47          3HG2      THR  47  -1.323  11.816  -0.047
  319    H    CYS  48           H        CYS  48  -3.258   7.786   1.101
  320    HA   CYS  48           HA       CYS  48  -1.719   6.435  -1.019
  321   1HB   CYS  48          2HB       CYS  48  -0.884   5.033   0.721
  322   2HB   CYS  48          1HB       CYS  48  -0.938   6.666   1.374
  323    H    HIS  49           H        HIS  49  -4.239   6.372  -1.891
  324    HA   HIS  49           HA       HIS  49  -5.776   4.061  -0.973
  325   1HB   HIS  49          2HB       HIS  49  -6.940   5.928  -2.024
  326   2HB   HIS  49          1HB       HIS  49  -5.897   5.839  -3.415
  327    HD1  HIS  49           1HD      HIS  49  -8.165   3.249  -1.673
  328    HD2  HIS  49           2HD      HIS  49  -7.279   4.739  -5.458
  329    HE1  HIS  49           1HE      HIS  49  -9.560   1.905  -3.356
  330    HE2  HIS  49           2HE      HIS  49  -9.003   2.812  -5.627
  331    H    VAL  50           H        VAL  50  -4.868   2.011  -1.329
  332    HA   VAL  50           HA       VAL  50  -4.115   1.364  -4.126
  333    HB   VAL  50           HB       VAL  50  -1.914   0.776  -3.762
  334   1HG1  VAL  50          1HG1      VAL  50  -0.810   2.389  -2.281
  335   2HG1  VAL  50          2HG1      VAL  50  -2.342   2.726  -1.483
  336   3HG1  VAL  50          3HG1      VAL  50  -2.119   3.166  -3.175
  337   1HG2  VAL  50          1HG2      VAL  50  -2.146  -0.963  -2.163
  338   2HG2  VAL  50          2HG2      VAL  50  -2.749   0.143  -0.922
  339   3HG2  VAL  50          3HG2      VAL  50  -1.052   0.196  -1.404
  340    H    TYR  51           H        TYR  51  -3.753  -1.047  -4.342
  341    HA   TYR  51           HA       TYR  51  -5.601  -2.529  -2.522
  342   1HB   TYR  51          2HB       TYR  51  -5.045  -2.851  -5.468
  343   2HB   TYR  51          1HB       TYR  51  -6.120  -3.871  -4.549
  344    HD1  TYR  51           1HD      TYR  51  -7.756  -2.177  -2.918
  345    HD2  TYR  51           2HD      TYR  51  -6.155  -1.321  -6.824
  346    HE1  TYR  51           1HE      TYR  51  -9.456  -0.424  -3.240
  347    HE2  TYR  51           2HE      TYR  51  -7.902   0.377  -7.140
  348    HH   TYR  51           HH       TYR  51  -9.830   1.195  -6.373
  349    H    VAL  52           H        VAL  52  -4.520  -3.828  -1.285
  350    HA   VAL  52           HA       VAL  52  -1.875  -4.922  -2.033
  351    HB   VAL  52           HB       VAL  52  -3.443  -5.245   0.535
  352   1HG1  VAL  52          1HG1      VAL  52  -0.697  -6.098  -0.349
  353   2HG1  VAL  52          2HG1      VAL  52  -1.952  -7.059   0.420
  354   3HG1  VAL  52          3HG1      VAL  52  -1.065  -5.859   1.356
  355   1HG2  VAL  52          1HG2      VAL  52  -0.977  -3.534   0.111
  356   2HG2  VAL  52          2HG2      VAL  52  -2.089  -3.515   1.477
  357   3HG2  VAL  52          3HG2      VAL  52  -2.603  -2.879  -0.078
  358    H    ASN  53           H        ASN  53  -1.601  -7.024  -2.729
  359    HA   ASN  53           HA       ASN  53  -3.705  -8.660  -3.560
  360   1HB   ASN  53          2HB       ASN  53  -1.681  -9.441  -4.339
  361   2HB   ASN  53          1HB       ASN  53  -0.854  -9.148  -2.815
  362   1HD2  ASN  53          1HD2      ASN  53   0.052 -11.303  -2.762
  363   2HD2  ASN  53          2HD2      ASN  53  -0.908 -12.672  -2.465
  364    H    GLU  54           H        GLU  54  -5.247  -9.787  -2.491
  365    HA   GLU  54           HA       GLU  54  -5.668  -9.597   0.279
  366   1HB   GLU  54          2HB       GLU  54  -7.378 -11.339  -0.027
  367   2HB   GLU  54          1HB       GLU  54  -7.436 -10.157  -1.330
  368   1HG   GLU  54          2HG       GLU  54  -7.544 -12.193  -2.495
  369   2HG   GLU  54          1HG       GLU  54  -5.828 -11.801  -2.578
  370    H    ALA  55           H        ALA  55  -3.017 -11.058  -0.776
  371    HA   ALA  55           HA       ALA  55  -3.247 -13.462   0.982
  372   1HB   ALA  55          1HB       ALA  55  -1.620 -14.474  -0.298
  373   2HB   ALA  55          2HB       ALA  55  -0.798 -12.958  -0.659
  374   3HB   ALA  55          3HB       ALA  55  -2.280 -13.378  -1.509
  375    H    PHE  56           H        PHE  56  -1.800 -10.270   0.846
  376    HA   PHE  56           HA       PHE  56   0.006 -10.957   3.139
  377   1HB   PHE  56          2HB       PHE  56  -0.016  -8.676   1.129
  378   2HB   PHE  56          1HB       PHE  56   1.100  -8.788   2.492
  379    HD1  PHE  56           1HD      PHE  56  -0.097 -10.739  -0.480
  380    HD2  PHE  56           2HD      PHE  56   3.120  -9.956   2.235
  381    HE1  PHE  56           1HE      PHE  56   1.364 -12.287  -1.756
  382    HE2  PHE  56           2HE      PHE  56   4.572 -11.504   0.996
  383    HZ   PHE  56           HZ       PHE  56   3.703 -12.671  -1.020
  384    H    THR  57           H        THR  57  -2.936  -9.542   2.318
  385    HA   THR  57           HA       THR  57  -2.988  -7.350   4.216
  386    HB   THR  57           HB       THR  57  -5.552  -7.656   3.933
  387    HG1  THR  57           1HG      THR  57  -5.101  -9.914   3.206
  388   1HG2  THR  57          1HG2      THR  57  -3.995  -6.107   2.598
  389   2HG2  THR  57          2HG2      THR  57  -5.541  -6.525   1.865
  390   3HG2  THR  57          3HG2      THR  57  -4.069  -7.334   1.333
  391    H    ASP  58           H        ASP  58  -3.933 -10.757   4.358
  392    HA   ASP  58           HA       ASP  58  -4.963 -10.432   7.106
  393   1HB   ASP  58          2HB       ASP  58  -5.302 -12.942   6.932
  394   2HB   ASP  58          1HB       ASP  58  -6.178 -11.987   5.729
  395    H    LYS  59           H        LYS  59  -1.976 -10.363   6.028
  396    HA   LYS  59           HA       LYS  59  -0.876 -12.066   8.245
  397   1HB   LYS  59          2HB       LYS  59   0.733 -11.290   5.840
  398   2HB   LYS  59          1HB       LYS  59   0.888 -12.709   6.870
  399   1HG   LYS  59          2HG       LYS  59  -1.444 -13.389   5.969
  400   2HG   LYS  59          1HG       LYS  59  -1.193 -12.157   4.725
  401   1HD   LYS  59          2HD       LYS  59   0.655 -13.314   3.797
  402   2HD   LYS  59          1HD       LYS  59   0.890 -14.297   5.238
  403   1HE   LYS  59          2HE       LYS  59  -1.755 -14.578   3.875
  404   2HE   LYS  59          1HE       LYS  59  -0.353 -15.258   3.046
  405   1HZ   LYS  59          1HZ       LYS  59   0.102 -16.111   5.505
  406   2HZ   LYS  59          2HZ       LYS  59  -0.816 -16.993   4.384
  407   3HZ   LYS  59          3HZ       LYS  59  -1.592 -16.043   5.560
  408    H    VAL  60           H        VAL  60  -0.550  -9.074   6.384
  409    HA   VAL  60           HA       VAL  60   1.462  -7.986   8.197
  410    HB   VAL  60           HB       VAL  60   0.562  -7.478   5.581
  411   1HG1  VAL  60          1HG1      VAL  60  -1.178  -5.999   6.278
  412   2HG1  VAL  60          2HG1      VAL  60   0.091  -5.055   5.505
  413   3HG1  VAL  60          3HG1      VAL  60  -0.063  -5.051   7.253
  414   1HG2  VAL  60          1HG2      VAL  60   2.740  -6.908   5.447
  415   2HG2  VAL  60          2HG2      VAL  60   2.850  -6.705   7.182
  416   3HG2  VAL  60          3HG2      VAL  60   2.347  -5.355   6.178
  417    HA   PRO  61           HA       PRO  61  -1.048  -6.344  11.347
  418   1HB   PRO  61          2HB       PRO  61  -0.466  -3.545  11.288
  419   2HB   PRO  61          1HB       PRO  61   0.307  -4.788  12.284
  420   1HG   PRO  61          2HG       PRO  61   1.281  -3.491   9.840
  421   2HG   PRO  61          1HG       PRO  61   2.183  -4.364  11.082
  422   1HD   PRO  61          2HD       PRO  61   1.671  -5.332   8.544
  423   2HD   PRO  61          1HD       PRO  61   2.085  -6.354   9.907
  424    H    ALA  62           H        ALA  62  -3.095  -6.680  10.515
  425    HA   ALA  62           HA       ALA  62  -4.465  -4.788   8.799
  426   1HB   ALA  62          1HB       ALA  62  -5.557  -7.055  10.504
  427   2HB   ALA  62          2HB       ALA  62  -5.085  -7.188   8.807
  428   3HB   ALA  62          3HB       ALA  62  -6.456  -6.177   9.267
  429    H    ALA  63           H        ALA  63  -4.525  -2.824   9.795
  430    HA   ALA  63           HA       ALA  63  -4.869  -2.328  12.557
  431   1HB   ALA  63          1HB       ALA  63  -4.004  -0.641  11.043
  432   2HB   ALA  63          2HB       ALA  63  -5.447  -0.018  11.848
  433   3HB   ALA  63          3HB       ALA  63  -5.539  -0.589  10.173
  434    H    ASN  64           H        ASN  64  -6.694  -1.075  13.464
  435    HA   ASN  64           HA       ASN  64  -9.089  -2.645  13.490
  436   1HB   ASN  64          2HB       ASN  64  -9.968  -0.486  14.772
  437   2HB   ASN  64          1HB       ASN  64  -8.760  -1.540  15.504
  438   1HD2  ASN  64          1HD2      ASN  64  -7.437  -0.076  16.620
  439   2HD2  ASN  64          2HD2      ASN  64  -6.666   1.255  15.898
  440    H    GLU  65           H        GLU  65 -11.277  -1.187  13.477
  441    HA   GLU  65           HA       GLU  65 -11.874  -0.774  10.691
  442   1HB   GLU  65          2HB       GLU  65 -14.113  -0.141  11.497
  443   2HB   GLU  65          1HB       GLU  65 -13.548  -1.620  12.278
  444   1HG   GLU  65          2HG       GLU  65 -12.666  -0.087  14.155
  445   2HG   GLU  65          1HG       GLU  65 -13.668   1.170  13.431
  446    H    ARG  66           H        ARG  66 -10.158   1.248  12.637
  447    HA   ARG  66           HA       ARG  66 -11.437   3.767  12.320
  448   1HB   ARG  66          2HB       ARG  66  -8.541   2.956  12.594
  449   2HB   ARG  66          1HB       ARG  66  -9.027   4.643  12.458
  450   1HG   ARG  66          2HG       ARG  66 -10.466   4.445  14.414
  451   2HG   ARG  66          1HG       ARG  66 -10.122   2.721  14.528
  452   1HD   ARG  66          2HD       ARG  66  -8.591   4.949  15.610
  453   2HD   ARG  66          1HD       ARG  66  -8.371   3.224  15.887
  454    HE   ARG  66           HE       ARG  66  -7.299   4.079  13.318
  455   1HH1  ARG  66          1HH2      ARG  66  -6.838   3.902  16.724
  456   2HH1  ARG  66          2HH2      ARG  66  -5.112   3.816  16.622
  457   1HH2  ARG  66          1HH1      ARG  66  -5.037   3.977  13.160
  458   2HH2  ARG  66          2HH1      ARG  66  -4.093   3.853  14.601
  459    H    GLU  67           H        GLU  67  -9.185   2.036  10.180
  460    HA   GLU  67           HA       GLU  67  -9.216   4.180   8.190
  461   1HB   GLU  67          2HB       GLU  67  -8.211   1.325   8.042
  462   2HB   GLU  67          1HB       GLU  67  -7.918   2.566   6.825
  463   1HG   GLU  67          2HG       GLU  67  -5.981   2.551   8.231
  464   2HG   GLU  67          1HG       GLU  67  -6.907   3.976   8.700
  465    H    ILE  68           H        ILE  68 -10.791   1.053   8.620
  466    HA   ILE  68           HA       ILE  68 -11.935   0.649   6.095
  467    HB   ILE  68           HB       ILE  68 -13.009   0.128   8.865
  468   1HG1  ILE  68          2HG1      ILE  68 -12.586  -2.176   8.307
  469   2HG1  ILE  68          1HG1      ILE  68 -12.361  -1.781   6.608
  470   1HG2  ILE  68          1HG2      ILE  68 -15.045   0.489   7.669
  471   2HG2  ILE  68          2HG2      ILE  68 -14.807  -1.258   7.670
  472   3HG2  ILE  68          3HG2      ILE  68 -14.425  -0.314   6.231
  473   1HD1  ILE  68          1HD1      ILE  68 -10.224  -2.191   7.924
  474   2HD1  ILE  68          2HD1      ILE  68 -10.564  -0.697   8.785
  475   3HD1  ILE  68          3HD1      ILE  68 -10.284  -0.661   7.051
  476    H    GLY  69           H        GLY  69 -12.886   3.030   8.535
  477   1HA   GLY  69          2HA       GLY  69 -15.274   3.867   7.081
  478   2HA   GLY  69          1HA       GLY  69 -14.530   4.736   8.422
  479    H    MET  70           H        MET  70 -11.885   4.730   7.031
  480    HA   MET  70           HA       MET  70 -12.301   7.179   5.440
  481   1HB   MET  70          2HB       MET  70  -9.710   5.619   5.734
  482   2HB   MET  70          1HB       MET  70  -9.906   7.334   5.377
  483   1HG   MET  70          2HG       MET  70 -10.663   7.798   7.609
  484   2HG   MET  70          1HG       MET  70 -10.820   6.082   7.981
  485   1HE   MET  70          1HE       MET  70  -8.184   7.179  10.334
  486   2HE   MET  70          2HE       MET  70  -8.624   5.502  10.025
  487   3HE   MET  70          3HE       MET  70  -9.865   6.751   9.994
  488    H    LEU  71           H        LEU  71 -11.497   3.794   4.968
  489    HA   LEU  71           HA       LEU  71 -10.919   3.965   2.148
  490   1HB   LEU  71          2HB       LEU  71 -11.846   1.714   3.952
  491   2HB   LEU  71          1HB       LEU  71 -11.503   1.477   2.248
  492    HG   LEU  71           HG       LEU  71  -9.522   2.599   4.248
  493   1HD1  LEU  71          1HD1      LEU  71  -8.431   0.355   4.018
  494   2HD1  LEU  71          2HD1      LEU  71  -9.836  -0.194   3.108
  495   3HD1  LEU  71          3HD1      LEU  71 -10.015   0.284   4.795
  496   1HD2  LEU  71          1HD2      LEU  71  -8.698   3.334   2.190
  497   2HD2  LEU  71          2HD2      LEU  71  -9.426   2.008   1.296
  498   3HD2  LEU  71          3HD2      LEU  71  -7.970   1.732   2.237
  499    H    GLU  72           H        GLU  72 -13.843   3.939   4.038
  500    HA   GLU  72           HA       GLU  72 -15.565   3.219   1.786
  501   1HB   GLU  72          2HB       GLU  72 -16.131   2.878   4.252
  502   2HB   GLU  72          1HB       GLU  72 -16.335   4.625   4.372
  503   1HG   GLU  72          2HG       GLU  72 -18.177   4.616   2.855
  504   2HG   GLU  72          1HG       GLU  72 -17.821   2.977   2.305
  505    H    CYS  73           H        CYS  73 -13.613   5.749   2.247
  506    HA   CYS  73           HA       CYS  73 -15.490   7.736   0.999
  507   1HB   CYS  73          2HB       CYS  73 -14.009   7.872   3.446
  508   2HB   CYS  73          1HB       CYS  73 -13.271   9.024   2.341
  509    HG   CYS  73           HG       CYS  73 -15.643  10.151   2.053
  510    H    VAL  74           H        VAL  74 -13.619   5.805  -0.393
  511    HA   VAL  74           HA       VAL  74 -11.566   7.671  -1.487
  512    HB   VAL  74           HB       VAL  74 -10.750   5.671  -2.702
  513   1HG1  VAL  74          1HG1      VAL  74 -10.103   4.411  -0.585
  514   2HG1  VAL  74          2HG1      VAL  74 -11.158   5.521   0.281
  515   3HG1  VAL  74          3HG1      VAL  74  -9.756   6.138  -0.584
  516   1HG2  VAL  74          1HG2      VAL  74 -12.883   4.233  -1.105
  517   2HG2  VAL  74          2HG2      VAL  74 -11.721   3.503  -2.205
  518   3HG2  VAL  74          3HG2      VAL  74 -12.987   4.544  -2.840
  519    H    THR  75           H        THR  75 -11.279   7.588  -3.942
  520    HA   THR  75           HA       THR  75 -13.952   7.936  -5.228
  521    HB   THR  75           HB       THR  75 -11.307   8.777  -6.436
  522    HG1  THR  75           1HG      THR  75 -12.567   9.721  -4.183
  523   1HG2  THR  75          1HG2      THR  75 -13.303   8.916  -7.847
  524   2HG2  THR  75          2HG2      THR  75 -12.763  10.539  -7.416
  525   3HG2  THR  75          3HG2      THR  75 -14.152   9.825  -6.593
  526    H    ALA  76           H        ALA  76 -11.383   5.633  -5.192
  527    HA   ALA  76           HA       ALA  76 -12.021   4.753  -7.984
  528   1HB   ALA  76          1HB       ALA  76  -9.751   4.602  -8.026
  529   2HB   ALA  76          2HB       ALA  76  -9.940   3.147  -7.058
  530   3HB   ALA  76          3HB       ALA  76  -9.635   4.696  -6.274
  531    H    GLU  77           H        GLU  77 -11.861   2.225  -8.160
  532    HA   GLU  77           HA       GLU  77 -14.100   1.093  -6.898
  533   1HB   GLU  77          2HB       GLU  77 -13.699  -0.243  -8.699
  534   2HB   GLU  77          1HB       GLU  77 -12.073   0.395  -8.817
  535   1HG   GLU  77          2HG       GLU  77 -11.168  -1.367  -7.481
  536   2HG   GLU  77          1HG       GLU  77 -12.763  -1.853  -6.899
  537    H    LEU  78           H        LEU  78 -14.155   0.840  -4.623
  538    HA   LEU  78           HA       LEU  78 -11.718   0.112  -3.207
  539   1HB   LEU  78          2HB       LEU  78 -13.723   1.454  -2.254
  540   2HB   LEU  78          1HB       LEU  78 -14.498  -0.118  -2.058
  541    HG   LEU  78           HG       LEU  78 -12.262  -0.797  -0.858
  542   1HD1  LEU  78          1HD1      LEU  78 -11.142   1.385  -1.551
  543   2HD1  LEU  78          2HD1      LEU  78 -11.025   0.941   0.123
  544   3HD1  LEU  78          3HD1      LEU  78 -12.168   2.162  -0.362
  545   1HD2  LEU  78          1HD2      LEU  78 -14.461  -0.572   0.250
  546   2HD2  LEU  78          2HD2      LEU  78 -14.181   1.161   0.425
  547   3HD2  LEU  78          3HD2      LEU  78 -13.150   0.007   1.280
  548    H    LYS  79           H        LYS  79 -11.218  -1.718  -2.227
  549    HA   LYS  79           HA       LYS  79 -12.409  -4.185  -3.389
  550   1HB   LYS  79          2HB       LYS  79  -9.717  -3.242  -2.489
  551   2HB   LYS  79          1HB       LYS  79 -10.020  -4.975  -2.507
  552   1HG   LYS  79          2HG       LYS  79 -10.604  -3.270  -4.926
  553   2HG   LYS  79          1HG       LYS  79  -8.979  -3.869  -4.623
  554   1HD   LYS  79          2HD       LYS  79  -9.905  -6.194  -4.493
  555   2HD   LYS  79          1HD       LYS  79 -11.475  -5.555  -4.980
  556   1HE   LYS  79          2HE       LYS  79  -8.921  -5.303  -6.582
  557   2HE   LYS  79          1HE       LYS  79 -10.238  -6.425  -6.926
  558   1HZ   LYS  79          1HZ       LYS  79 -11.688  -4.344  -6.951
  559   2HZ   LYS  79          2HZ       LYS  79 -10.670  -4.608  -8.281
  560   3HZ   LYS  79          3HZ       LYS  79 -10.238  -3.477  -7.090
  561    HA   PRO  80           HA       PRO  80 -13.704  -5.418   0.692
  562   1HB   PRO  80          2HB       PRO  80 -12.941  -8.112   0.678
  563   2HB   PRO  80          1HB       PRO  80 -14.445  -7.488  -0.021
  564   1HG   PRO  80          2HG       PRO  80 -11.876  -8.203  -1.360
  565   2HG   PRO  80          1HG       PRO  80 -13.542  -8.410  -1.932
  566   1HD   PRO  80          2HD       PRO  80 -11.940  -6.418  -2.855
  567   2HD   PRO  80          1HD       PRO  80 -13.697  -6.210  -2.685
  568    H    ASN  81           H        ASN  81 -10.501  -5.936  -0.479
  569    HA   ASN  81           HA       ASN  81  -9.403  -5.994   2.308
  570   1HB   ASN  81          2HB       ASN  81  -7.696  -7.401   1.592
  571   2HB   ASN  81          1HB       ASN  81  -8.995  -7.932   0.525
  572   1HD2  ASN  81          1HD2      ASN  81  -8.928  -7.135  -1.751
  573   2HD2  ASN  81          2HD2      ASN  81  -7.469  -6.591  -2.419
  574    H    SER  82           H        SER  82 -10.143  -3.579   0.456
  575    HA   SER  82           HA       SER  82  -7.915  -2.336  -0.612
  576   1HB   SER  82          2HB       SER  82 -10.284  -1.271   0.885
  577   2HB   SER  82          1HB       SER  82  -9.008  -0.181   0.338
  578    HG   SER  82           HG       SER  82 -10.130  -0.273  -1.442
  579    H    ARG  83           H        ARG  83  -6.591  -0.575   0.389
  580    HA   ARG  83           HA       ARG  83  -6.150  -0.765   3.309
  581   1HB   ARG  83          2HB       ARG  83  -4.727  -2.468   1.430
  582   2HB   ARG  83          1HB       ARG  83  -3.579  -1.447   2.275
  583   1HG   ARG  83          2HG       ARG  83  -5.702  -2.940   3.832
  584   2HG   ARG  83          1HG       ARG  83  -4.247  -3.768   3.304
  585   1HD   ARG  83          2HD       ARG  83  -3.075  -2.870   5.015
  586   2HD   ARG  83          1HD       ARG  83  -3.518  -1.237   4.547
  587    HE   ARG  83           HE       ARG  83  -5.782  -1.985   5.774
  588   1HH1  ARG  83          1HH2      ARG  83  -2.465  -2.483   6.579
  589   2HH1  ARG  83          2HH2      ARG  83  -2.738  -2.431   8.288
  590   1HH2  ARG  83          1HH1      ARG  83  -6.150  -1.877   7.993
  591   2HH2  ARG  83          2HH1      ARG  83  -4.820  -2.062   9.087
  592    H    LEU  84           H        LEU  84  -5.009   0.919   4.164
  593    HA   LEU  84           HA       LEU  84  -4.260   3.124   2.339
  594   1HB   LEU  84          2HB       LEU  84  -4.286   2.892   5.369
  595   2HB   LEU  84          1HB       LEU  84  -3.887   4.365   4.495
  596    HG   LEU  84           HG       LEU  84  -6.525   2.875   4.291
  597   1HD1  LEU  84          1HD1      LEU  84  -6.071   5.584   5.543
  598   2HD1  LEU  84          2HD1      LEU  84  -5.962   4.104   6.492
  599   3HD1  LEU  84          3HD1      LEU  84  -7.473   4.534   5.690
  600   1HD2  LEU  84          1HD2      LEU  84  -7.092   5.277   3.267
  601   2HD2  LEU  84          2HD2      LEU  84  -6.403   4.006   2.264
  602   3HD2  LEU  84          3HD2      LEU  84  -5.366   5.281   2.903
  603    H    CYS  85           H        CYS  85  -2.288   2.880   1.450
  604    HA   CYS  85           HA       CYS  85  -0.320   1.077   2.272
  605   1HB   CYS  85          2HB       CYS  85  -0.681   2.803   0.152
  606   2HB   CYS  85          1HB       CYS  85   0.791   3.422   0.885
  607    HG   CYS  85           HG       CYS  85   0.544   0.815  -0.648
  608    H    CYS  86           H        CYS  86  -0.579   4.486   3.359
  609    HA   CYS  86           HA       CYS  86   2.065   4.589   4.424
  610   1HB   CYS  86          2HB       CYS  86   1.314   6.443   5.780
  611   2HB   CYS  86          1HB       CYS  86   0.610   6.572   4.162
  612    H    GLN  87           H        GLN  87  -0.968   3.725   6.152
  613    HA   GLN  87           HA       GLN  87   0.555   3.145   8.561
  614   1HB   GLN  87          2HB       GLN  87  -1.585   2.474   9.521
  615   2HB   GLN  87          1HB       GLN  87  -1.733   4.010   8.677
  616   1HG   GLN  87          2HG       GLN  87  -3.489   3.100   7.550
  617   2HG   GLN  87          1HG       GLN  87  -2.314   2.118   6.677
  618   1HE2  GLN  87          1HE2      GLN  87  -1.964  -0.113   7.468
  619   2HE2  GLN  87          2HE2      GLN  87  -3.117  -0.866   8.460
  620    H    ILE  88           H        ILE  88   1.368   1.553   6.242
  621    HA   ILE  88           HA       ILE  88   0.685  -1.196   7.261
  622    HB   ILE  88           HB       ILE  88   1.500  -0.327   4.462
  623   1HG1  ILE  88          2HG1      ILE  88  -0.902  -1.853   5.507
  624   2HG1  ILE  88          1HG1      ILE  88  -0.905  -0.124   5.171
  625   1HG2  ILE  88          1HG2      ILE  88   1.322  -3.075   5.727
  626   2HG2  ILE  88          2HG2      ILE  88   2.718  -2.356   4.925
  627   3HG2  ILE  88          3HG2      ILE  88   1.306  -2.812   3.983
  628   1HD1  ILE  88          1HD1      ILE  88   0.114  -1.201   2.810
  629   2HD1  ILE  88          2HD1      ILE  88  -1.552  -0.705   3.088
  630   3HD1  ILE  88          3HD1      ILE  88  -1.092  -2.387   3.316
  631    H    ILE  89           H        ILE  89   2.529  -2.719   7.223
  632    HA   ILE  89           HA       ILE  89   5.210  -1.401   7.406
  633    HB   ILE  89           HB       ILE  89   3.944  -3.296   9.416
  634   1HG1  ILE  89          2HG1      ILE  89   3.260  -0.947   9.691
  635   2HG1  ILE  89          1HG1      ILE  89   4.295  -1.458  11.014
  636   1HG2  ILE  89          1HG2      ILE  89   6.185  -4.010   9.295
  637   2HG2  ILE  89          2HG2      ILE  89   6.188  -2.863  10.630
  638   3HG2  ILE  89          3HG2      ILE  89   6.791  -2.374   9.047
  639   1HD1  ILE  89          1HD1      ILE  89   5.392   0.487  10.566
  640   2HD1  ILE  89          2HD1      ILE  89   4.776   0.576   8.922
  641   3HD1  ILE  89          3HD1      ILE  89   6.164  -0.440   9.287
  642    H    MET  90           H        MET  90   6.581  -2.522   6.057
  643    HA   MET  90           HA       MET  90   5.799  -5.247   5.229
  644   1HB   MET  90          2HB       MET  90   6.933  -3.216   3.825
  645   2HB   MET  90          1HB       MET  90   8.384  -4.098   4.296
  646   1HG   MET  90          2HG       MET  90   7.511  -4.889   2.114
  647   2HG   MET  90          1HG       MET  90   7.452  -6.164   3.326
  648   1HE   MET  90          1HE       MET  90   5.571  -7.677   2.208
  649   2HE   MET  90          2HE       MET  90   4.063  -7.419   3.079
  650   3HE   MET  90          3HE       MET  90   5.589  -7.418   3.956
  651    H    THR  91           H        THR  91   7.375  -7.003   5.288
  652    HA   THR  91           HA       THR  91   9.518  -6.789   7.299
  653    HB   THR  91           HB       THR  91   8.619  -8.780   8.547
  654    HG1  THR  91           1HG      THR  91   6.442  -9.294   8.199
  655   1HG2  THR  91          1HG2      THR  91   7.040  -7.545   9.879
  656   2HG2  THR  91          2HG2      THR  91   6.685  -6.457   8.534
  657   3HG2  THR  91          3HG2      THR  91   8.267  -6.413   9.315
  658    HA   PRO  92           HA       PRO  92  11.426  -9.521   4.409
  659   1HB   PRO  92          2HB       PRO  92  12.823 -11.214   6.172
  660   2HB   PRO  92          1HB       PRO  92  13.409  -9.658   5.558
  661   1HG   PRO  92          2HG       PRO  92  12.135 -10.316   8.171
  662   2HG   PRO  92          1HG       PRO  92  13.425  -9.156   7.804
  663   1HD   PRO  92          2HD       PRO  92  10.889  -8.355   8.276
  664   2HD   PRO  92          1HD       PRO  92  11.925  -7.508   7.097
  665    H    GLU  93           H        GLU  93   9.700 -10.996   7.149
  666    HA   GLU  93           HA       GLU  93   9.534 -13.614   5.977
  667   1HB   GLU  93          2HB       GLU  93   7.416 -13.671   7.585
  668   2HB   GLU  93          1HB       GLU  93   9.048 -13.680   8.250
  669   1HG   GLU  93          2HG       GLU  93   7.711 -11.034   7.727
  670   2HG   GLU  93          1HG       GLU  93   7.247 -11.956   9.155
  671    H    LEU  94           H        LEU  94   7.577 -10.681   5.611
  672    HA   LEU  94           HA       LEU  94   5.608 -12.197   3.983
  673   1HB   LEU  94          2HB       LEU  94   5.639  -9.529   5.314
  674   2HB   LEU  94          1HB       LEU  94   4.723  -9.596   3.829
  675    HG   LEU  94           HG       LEU  94   4.343 -11.608   6.065
  676   1HD1  LEU  94          1HD1      LEU  94   3.865  -9.141   6.707
  677   2HD1  LEU  94          2HD1      LEU  94   2.576 -10.313   6.961
  678   3HD1  LEU  94          3HD1      LEU  94   2.526  -9.249   5.558
  679   1HD2  LEU  94          1HD2      LEU  94   2.183 -10.843   4.140
  680   2HD2  LEU  94          2HD2      LEU  94   2.544 -12.406   4.857
  681   3HD2  LEU  94          3HD2      LEU  94   3.497 -11.824   3.508
  682    H    ASP  95           H        ASP  95   8.420 -11.734   3.152
  683    HA   ASP  95           HA       ASP  95   8.576  -9.722   1.141
  684   1HB   ASP  95          2HB       ASP  95  10.477 -10.975   0.277
  685   2HB   ASP  95          1HB       ASP  95  10.520 -11.012   2.042
  686    H    GLY  96           H        GLY  96   7.935  -9.663  -0.983
  687   1HA   GLY  96          2HA       GLY  96   7.404 -10.772  -3.100
  688   2HA   GLY  96          1HA       GLY  96   6.725 -12.120  -2.185
  689    H    ILE  97           H        ILE  97   5.841  -9.141  -0.814
  690    HA   ILE  97           HA       ILE  97   3.071  -9.573  -1.351
  691    HB   ILE  97           HB       ILE  97   3.853  -8.303   0.595
  692   1HG1  ILE  97          2HG1      ILE  97   2.217  -6.529  -1.230
  693   2HG1  ILE  97          1HG1      ILE  97   1.560  -7.907  -0.353
  694   1HG2  ILE  97          1HG2      ILE  97   5.733  -7.167  -0.563
  695   2HG2  ILE  97          2HG2      ILE  97   4.708  -6.065   0.339
  696   3HG2  ILE  97          3HG2      ILE  97   4.558  -6.146  -1.396
  697   1HD1  ILE  97          1HD1      ILE  97   2.208  -6.891   1.770
  698   2HD1  ILE  97          2HD1      ILE  97   1.212  -5.765   0.863
  699   3HD1  ILE  97          3HD1      ILE  97   2.953  -5.541   0.928
  700    H    VAL  98           H        VAL  98   1.746  -8.942  -2.951
  701    HA   VAL  98           HA       VAL  98   2.899  -7.237  -5.140
  702    HB   VAL  98           HB       VAL  98   0.315  -8.799  -5.231
  703   1HG1  VAL  98          1HG1      VAL  98   0.874  -8.834  -7.666
  704   2HG1  VAL  98          2HG1      VAL  98   2.297  -7.850  -7.324
  705   3HG1  VAL  98          3HG1      VAL  98   0.684  -7.199  -7.035
  706   1HG2  VAL  98          1HG2      VAL  98   1.723 -10.605  -6.340
  707   2HG2  VAL  98          2HG2      VAL  98   1.954 -10.441  -4.593
  708   3HG2  VAL  98          3HG2      VAL  98   3.144  -9.768  -5.711
  709    H    VAL  99           H        VAL  99   2.317  -5.038  -4.910
  710    HA   VAL  99           HA       VAL  99  -0.298  -4.425  -3.608
  711    HB   VAL  99           HB       VAL  99   1.845  -2.434  -4.351
  712   1HG1  VAL  99          1HG1      VAL  99   0.957  -1.271  -2.357
  713   2HG1  VAL  99          2HG1      VAL  99  -0.141  -2.620  -2.058
  714   3HG1  VAL  99          3HG1      VAL  99  -0.336  -1.629  -3.501
  715   1HG2  VAL  99          1HG2      VAL  99   1.844  -4.359  -2.019
  716   2HG2  VAL  99          2HG2      VAL  99   2.734  -2.839  -1.991
  717   3HG2  VAL  99          3HG2      VAL  99   3.132  -4.069  -3.185
  718    H    ASP 100           H        ASP 100  -1.871  -3.489  -4.808
  719    HA   ASP 100           HA       ASP 100  -1.304  -2.910  -7.678
  720   1HB   ASP 100          2HB       ASP 100  -3.513  -4.194  -6.216
  721   2HB   ASP 100          1HB       ASP 100  -4.035  -3.102  -7.503
  722    H    VAL 101           H        VAL 101  -1.118  -0.835  -8.116
  723    HA   VAL 101           HA       VAL 101  -2.498   1.184  -6.419
  724    HB   VAL 101           HB       VAL 101  -0.337   1.624  -8.486
  725   1HG1  VAL 101          1HG1      VAL 101  -1.367   3.313  -6.187
  726   2HG1  VAL 101          2HG1      VAL 101  -1.672   3.610  -7.899
  727   3HG1  VAL 101          3HG1      VAL 101  -0.034   3.748  -7.253
  728   1HG2  VAL 101          1HG2      VAL 101  -0.169   1.144  -5.493
  729   2HG2  VAL 101          2HG2      VAL 101   1.161   1.782  -6.461
  730   3HG2  VAL 101          3HG2      VAL 101   0.548   0.156  -6.772
  731    HA   PRO 102           HA       PRO 102  -5.170   1.672 -10.076
  732   1HB   PRO 102          2HB       PRO 102  -6.981   3.391  -9.048
  733   2HB   PRO 102          1HB       PRO 102  -6.899   1.706  -8.518
  734   1HG   PRO 102          2HG       PRO 102  -5.825   4.133  -7.174
  735   2HG   PRO 102          1HG       PRO 102  -6.686   2.741  -6.491
  736   1HD   PRO 102          2HD       PRO 102  -3.940   3.020  -6.411
  737   2HD   PRO 102          1HD       PRO 102  -4.785   1.455  -6.352
  738    H    ASP 103           H        ASP 103  -5.962   3.436 -11.445
  739    HA   ASP 103           HA       ASP 103  -3.918   5.433 -11.942
  740   1HB   ASP 103          2HB       ASP 103  -5.378   4.309 -13.704
  741   2HB   ASP 103          1HB       ASP 103  -6.696   5.344 -13.146
  742    H    ARG 104           H        ARG 104  -6.698   5.317  -9.948
  743    HA   ARG 104           HA       ARG 104  -6.644   8.300  -9.579
  744   1HB   ARG 104          2HB       ARG 104  -9.021   6.454  -9.208
  745   2HB   ARG 104          1HB       ARG 104  -9.021   8.206  -9.051
  746   1HG   ARG 104          2HG       ARG 104  -9.059   8.553 -11.330
  747   2HG   ARG 104          1HG       ARG 104  -8.005   7.187 -11.672
  748   1HD   ARG 104          2HD       ARG 104 -10.969   7.075 -11.042
  749   2HD   ARG 104          1HD       ARG 104 -10.194   6.713 -12.581
  750    HE   ARG 104           HE       ARG 104  -9.013   4.968 -10.745
  751   1HH1  ARG 104          1HH2      ARG 104 -12.172   5.768 -11.878
  752   2HH1  ARG 104          2HH2      ARG 104 -12.817   4.184 -11.604
  753   1HH2  ARG 104          1HH1      ARG 104  -9.845   2.889 -10.368
  754   2HH2  ARG 104          2HH1      ARG 104 -11.502   2.557 -10.752
  755    H    GLN 105           H        GLN 105  -5.143   8.159  -7.858
  756    HA   GLN 105           HA       GLN 105  -5.646   6.322  -5.630
  757   1HB   GLN 105          2HB       GLN 105  -3.645   7.352  -4.636
  758   2HB   GLN 105          1HB       GLN 105  -3.339   6.903  -6.305
  759   1HG   GLN 105          2HG       GLN 105  -2.466   9.079  -6.208
  760   2HG   GLN 105          1HG       GLN 105  -4.080   9.349  -6.859
  761   1HE2  GLN 105          1HE2      GLN 105  -3.511  11.606  -5.810
  762   2HE2  GLN 105          2HE2      GLN 105  -3.981  11.817  -4.195
  763    H    TRP 106           H        TRP 106  -6.546   9.531  -6.494
  764    HA   TRP 106           HA       TRP 106  -7.611  11.242  -5.277
  765   1HB   TRP 106          2HB       TRP 106  -9.290   9.444  -5.499
  766   2HB   TRP 106          1HB       TRP 106  -8.742   8.761  -3.975
  767    HD1  TRP 106           HD       TRP 106 -10.147   9.419  -2.035
  768    HE1  TRP 106           1HE      TRP 106 -11.692  11.421  -1.428
  769    HE3  TRP 106           3HE      TRP 106  -9.423  12.399  -6.120
  770    HZ2  TRP 106           2HZ      TRP 106 -12.441  13.935  -2.487
  771    HZ3  TRP 106           3HZ      TRP 106 -10.555  14.593  -6.288
  772    HH2  TRP 106           HH       TRP 106 -12.065  15.365  -4.473
  Start of MODEL    3
    1   1H    SER   1          1HT       SER   1  12.054  -6.825   3.324
    2   2H    SER   1          2HT       SER   1  12.287  -6.077   1.816
    3   3H    SER   1          3HT       SER   1  12.971  -7.602   2.122
    4    HA   SER   1           HA       SER   1  11.029  -8.717   1.847
    5   1HB   SER   1          2HB       SER   1   8.829  -7.688   2.264
    6   2HB   SER   1          1HB       SER   1   9.884  -7.490   3.646
    7    HG   SER   1           HG       SER   1  10.122  -5.393   3.190
    8    H    LYS   2           H        LYS   2  10.271  -9.108  -0.209
    9    HA   LYS   2           HA       LYS   2  10.929  -7.175  -2.279
   10   1HB   LYS   2          2HB       LYS   2   9.898  -9.966  -2.134
   11   2HB   LYS   2          1HB       LYS   2   9.447  -9.065  -3.574
   12   1HG   LYS   2          2HG       LYS   2  12.312  -9.133  -2.617
   13   2HG   LYS   2          1HG       LYS   2  11.663 -10.435  -3.613
   14   1HD   LYS   2          2HD       LYS   2  10.923  -8.595  -5.264
   15   2HD   LYS   2          1HD       LYS   2  11.960  -7.510  -4.334
   16   1HE   LYS   2          2HE       LYS   2  13.897  -8.932  -4.757
   17   2HE   LYS   2          1HE       LYS   2  12.883 -10.108  -5.595
   18   1HZ   LYS   2          1HZ       LYS   2  12.472  -7.546  -6.694
   19   2HZ   LYS   2          2HZ       LYS   2  13.060  -8.948  -7.449
   20   3HZ   LYS   2          3HZ       LYS   2  14.134  -7.883  -6.679
   21    H    VAL   3           H        VAL   3   9.654  -5.421  -2.546
   22    HA   VAL   3           HA       VAL   3   6.687  -5.724  -2.185
   23    HB   VAL   3           HB       VAL   3   8.624  -3.421  -1.917
   24   1HG1  VAL   3          1HG1      VAL   3   6.622  -1.964  -1.534
   25   2HG1  VAL   3          2HG1      VAL   3   5.609  -3.260  -2.170
   26   3HG1  VAL   3          3HG1      VAL   3   6.800  -2.478  -3.205
   27   1HG2  VAL   3          1HG2      VAL   3   6.489  -4.596  -0.145
   28   2HG2  VAL   3          2HG2      VAL   3   7.480  -3.216   0.251
   29   3HG2  VAL   3          3HG2      VAL   3   8.225  -4.796   0.047
   30    H    VAL   4           H        VAL   4   5.796  -6.127  -4.182
   31    HA   VAL   4           HA       VAL   4   6.944  -4.766  -6.558
   32    HB   VAL   4           HB       VAL   4   4.881  -6.943  -6.435
   33   1HG1  VAL   4          1HG1      VAL   4   5.688  -7.239  -8.837
   34   2HG1  VAL   4          2HG1      VAL   4   6.468  -5.669  -8.663
   35   3HG1  VAL   4          3HG1      VAL   4   4.716  -5.801  -8.527
   36   1HG2  VAL   4          1HG2      VAL   4   7.885  -6.992  -6.671
   37   2HG2  VAL   4          2HG2      VAL   4   6.890  -8.326  -7.249
   38   3HG2  VAL   4          3HG2      VAL   4   6.867  -7.888  -5.541
   39    H    TYR   5           H        TYR   5   6.143  -2.784  -6.473
   40    HA   TYR   5           HA       TYR   5   3.340  -2.092  -6.014
   41   1HB   TYR   5          2HB       TYR   5   5.456  -0.457  -7.437
   42   2HB   TYR   5          1HB       TYR   5   3.896   0.137  -6.881
   43    HD1  TYR   5           1HD      TYR   5   7.307  -0.602  -5.962
   44    HD2  TYR   5           2HD      TYR   5   3.372   0.089  -4.400
   45    HE1  TYR   5           1HE      TYR   5   8.264  -0.087  -3.767
   46    HE2  TYR   5           2HE      TYR   5   4.351   0.601  -2.180
   47    HH   TYR   5           HH       TYR   5   6.312   1.085  -1.076
   48    H    VAL   6           H        VAL   6   1.839  -2.836  -7.452
   49    HA   VAL   6           HA       VAL   6   2.594  -3.081 -10.326
   50    HB   VAL   6           HB       VAL   6   0.229  -4.131  -8.745
   51   1HG1  VAL   6          1HG1      VAL   6  -0.214  -5.391 -10.920
   52   2HG1  VAL   6          2HG1      VAL   6   0.907  -4.272 -11.696
   53   3HG1  VAL   6          3HG1      VAL   6  -0.576  -3.666 -10.953
   54   1HG2  VAL   6          1HG2      VAL   6   2.262  -5.364  -8.296
   55   2HG2  VAL   6          2HG2      VAL   6   2.669  -5.417 -10.012
   56   3HG2  VAL   6          3HG2      VAL   6   1.288  -6.331  -9.397
   57    H    SER   7           H        SER   7   2.121  -1.378 -11.544
   58    HA   SER   7           HA       SER   7   0.324   0.718 -10.633
   59   1HB   SER   7          2HB       SER   7   0.905   1.807 -12.774
   60   2HB   SER   7          1HB       SER   7   2.348   1.239 -11.938
   61    HG   SER   7           HG       SER   7   1.192   0.397 -14.306
   62    H    HIS   8           H        HIS   8  -0.881   1.394 -13.150
   63    HA   HIS   8           HA       HIS   8  -3.093  -0.570 -13.100
   64   1HB   HIS   8          2HB       HIS   8  -3.931   1.324 -14.886
   65   2HB   HIS   8          1HB       HIS   8  -4.161   1.461 -13.151
   66    HD1  HIS   8           1HD      HIS   8  -1.650   2.415 -12.021
   67    HD2  HIS   8           2HD      HIS   8  -2.901   3.710 -15.781
   68    HE1  HIS   8           1HE      HIS   8  -0.458   4.614 -12.457
   69    HE2  HIS   8           2HE      HIS   8  -1.208   5.405 -14.749
   70    H    ASP   9           H        ASP   9  -0.966   0.953 -15.550
   71    HA   ASP   9           HA       ASP   9  -1.931  -0.667 -17.695
   72   1HB   ASP   9          2HB       ASP   9   0.172   0.051 -18.851
   73   2HB   ASP   9          1HB       ASP   9  -0.726   1.394 -18.141
   74    H    GLY  10           H        GLY  10  -0.384  -1.748 -14.978
   75   1HA   GLY  10          2HA       GLY  10   0.251  -4.044 -14.695
   76   2HA   GLY  10          1HA       GLY  10   0.586  -4.160 -16.417
   77    H    THR  11           H        THR  11   1.938  -1.290 -15.440
   78    HA   THR  11           HA       THR  11   4.615  -2.293 -15.667
   79    HB   THR  11           HB       THR  11   3.350   0.273 -15.523
   80    HG1  THR  11           1HG      THR  11   6.031  -0.473 -16.014
   81   1HG2  THR  11          1HG2      THR  11   4.125   0.436 -13.187
   82   2HG2  THR  11          2HG2      THR  11   5.022   1.542 -14.224
   83   3HG2  THR  11          3HG2      THR  11   5.762   0.029 -13.694
   84    H    ARG  12           H        ARG  12   5.863  -3.203 -14.142
   85    HA   ARG  12           HA       ARG  12   4.902  -3.211 -11.302
   86   1HB   ARG  12          2HB       ARG  12   6.851  -5.101 -12.642
   87   2HB   ARG  12          1HB       ARG  12   6.104  -5.289 -11.054
   88   1HG   ARG  12          2HG       ARG  12   3.893  -5.463 -12.080
   89   2HG   ARG  12          1HG       ARG  12   4.581  -5.181 -13.679
   90   1HD   ARG  12          2HD       ARG  12   5.138  -7.378 -13.884
   91   2HD   ARG  12          1HD       ARG  12   5.965  -7.381 -12.330
   92    HE   ARG  12           HE       ARG  12   3.775  -7.814 -11.241
   93   1HH1  ARG  12          1HH2      ARG  12   3.911  -8.181 -14.698
   94   2HH1  ARG  12          2HH2      ARG  12   2.621  -9.326 -14.751
   95   1HH2  ARG  12          1HH1      ARG  12   2.088  -9.300 -11.332
   96   2HH2  ARG  12          2HH1      ARG  12   1.591  -9.955 -12.855
   97    H    ARG  13           H        ARG  13   6.539  -3.203  -9.636
   98    HA   ARG  13           HA       ARG  13   9.234  -2.199 -10.285
   99   1HB   ARG  13          2HB       ARG  13   7.515  -0.224  -9.973
  100   2HB   ARG  13          1HB       ARG  13   7.615  -0.662  -8.275
  101   1HG   ARG  13          2HG       ARG  13  10.212  -0.567  -8.676
  102   2HG   ARG  13          1HG       ARG  13   9.774   0.403 -10.078
  103   1HD   ARG  13          2HD       ARG  13   8.246   1.499  -7.962
  104   2HD   ARG  13          1HD       ARG  13   9.840   1.186  -7.269
  105    HE   ARG  13           HE       ARG  13  10.795   2.728  -8.832
  106   1HH1  ARG  13          1HH2      ARG  13   7.418   2.171  -9.428
  107   2HH1  ARG  13          2HH2      ARG  13   7.202   3.663 -10.280
  108   1HH2  ARG  13          1HH1      ARG  13  10.505   4.658  -9.948
  109   2HH2  ARG  13          2HH1      ARG  13   8.943   5.064 -10.573
  110    H    GLU  14           H        GLU  14  10.425  -3.592  -9.037
  111    HA   GLU  14           HA       GLU  14   9.228  -4.618  -6.508
  112   1HB   GLU  14          2HB       GLU  14  11.838  -5.765  -7.329
  113   2HB   GLU  14          1HB       GLU  14  10.331  -6.584  -6.936
  114   1HG   GLU  14          2HG       GLU  14  10.983  -5.241  -9.580
  115   2HG   GLU  14          1HG       GLU  14  10.930  -6.976  -9.284
  116    H    LEU  15           H        LEU  15   9.886  -3.977  -4.614
  117    HA   LEU  15           HA       LEU  15  12.376  -2.344  -4.339
  118   1HB   LEU  15          2HB       LEU  15   9.627  -1.942  -3.612
  119   2HB   LEU  15          1HB       LEU  15  10.526  -2.115  -2.113
  120    HG   LEU  15           HG       LEU  15  10.276   0.184  -2.906
  121   1HD1  LEU  15          1HD1      LEU  15  12.384   0.911  -2.218
  122   2HD1  LEU  15          2HD1      LEU  15  13.178  -0.528  -2.864
  123   3HD1  LEU  15          3HD1      LEU  15  12.154  -0.645  -1.432
  124   1HD2  LEU  15          1HD2      LEU  15  12.428  -0.151  -4.952
  125   2HD2  LEU  15          2HD2      LEU  15  11.122   1.023  -4.887
  126   3HD2  LEU  15          3HD2      LEU  15  10.794  -0.624  -5.409
  127    H    ASP  16           H        ASP  16  12.771  -2.271  -1.845
  128    HA   ASP  16           HA       ASP  16  12.749  -4.971  -0.625
  129   1HB   ASP  16          2HB       ASP  16  15.008  -4.534  -1.731
  130   2HB   ASP  16          1HB       ASP  16  15.188  -3.147  -0.654
  131    H    VAL  17           H        VAL  17  11.365  -4.408   1.041
  132    HA   VAL  17           HA       VAL  17  11.868  -1.855   2.525
  133    HB   VAL  17           HB       VAL  17   9.303  -3.480   2.341
  134   1HG1  VAL  17          1HG1      VAL  17   9.381  -2.186   4.320
  135   2HG1  VAL  17          2HG1      VAL  17   8.357  -1.311   3.177
  136   3HG1  VAL  17          3HG1      VAL  17  10.015  -0.778   3.465
  137   1HG2  VAL  17          1HG2      VAL  17   9.655  -2.641   0.145
  138   2HG2  VAL  17          2HG2      VAL  17  10.412  -1.170   0.736
  139   3HG2  VAL  17          3HG2      VAL  17   8.676  -1.383   0.906
  140    H    ALA  18           H        ALA  18  12.713  -2.130   4.483
  141    HA   ALA  18           HA       ALA  18  13.039  -4.766   5.652
  142   1HB   ALA  18          1HB       ALA  18  14.709  -2.887   5.820
  143   2HB   ALA  18          2HB       ALA  18  14.316  -3.655   7.353
  144   3HB   ALA  18          3HB       ALA  18  13.608  -2.093   6.941
  145    H    ASP  19           H        ASP  19  12.681  -4.807   8.166
  146    HA   ASP  19           HA       ASP  19   9.859  -4.938   8.604
  147   1HB   ASP  19          2HB       ASP  19  10.615  -5.418  10.994
  148   2HB   ASP  19          1HB       ASP  19  11.208  -6.514   9.749
  149    H    GLY  20           H        GLY  20   8.526  -3.613   9.650
  150   1HA   GLY  20          2HA       GLY  20   7.817  -1.803  11.048
  151   2HA   GLY  20          1HA       GLY  20   9.502  -1.345  11.249
  152    H    VAL  21           H        VAL  21   9.650  -1.519   8.091
  153    HA   VAL  21           HA       VAL  21   9.102   1.325   7.768
  154    HB   VAL  21           HB       VAL  21   9.977  -0.748   5.762
  155   1HG1  VAL  21          1HG1      VAL  21   9.093   1.241   4.692
  156   2HG1  VAL  21          2HG1      VAL  21  10.840   1.165   4.492
  157   3HG1  VAL  21          3HG1      VAL  21  10.139   2.252   5.692
  158   1HG2  VAL  21          1HG2      VAL  21  11.775   1.217   7.141
  159   2HG2  VAL  21          2HG2      VAL  21  12.219  -0.209   6.200
  160   3HG2  VAL  21          3HG2      VAL  21  11.484  -0.400   7.789
  161    H    SER  22           H        SER  22   7.390   2.201   6.602
  162    HA   SER  22           HA       SER  22   5.202   0.327   5.866
  163   1HB   SER  22          2HB       SER  22   3.765   2.186   5.988
  164   2HB   SER  22          1HB       SER  22   4.958   2.559   7.227
  165    HG   SER  22           HG       SER  22   4.386   4.204   5.507
  166    H    LEU  23           H        LEU  23   4.339   0.302   3.731
  167    HA   LEU  23           HA       LEU  23   6.148   0.388   1.604
  168   1HB   LEU  23          2HB       LEU  23   3.165   0.900   1.545
  169   2HB   LEU  23          1HB       LEU  23   4.136   0.539   0.122
  170    HG   LEU  23           HG       LEU  23   4.161  -1.329   2.499
  171   1HD1  LEU  23          1HD1      LEU  23   2.165  -1.225   0.221
  172   2HD1  LEU  23          2HD1      LEU  23   1.815  -1.124   1.951
  173   3HD1  LEU  23          3HD1      LEU  23   2.397  -2.638   1.255
  174   1HD2  LEU  23          1HD2      LEU  23   4.573  -1.718  -0.477
  175   2HD2  LEU  23          2HD2      LEU  23   4.713  -2.981   0.733
  176   3HD2  LEU  23          3HD2      LEU  23   5.857  -1.645   0.720
  177    H    MET  24           H        MET  24   4.153   2.991   2.879
  178    HA   MET  24           HA       MET  24   4.714   4.873   0.779
  179   1HB   MET  24          2HB       MET  24   2.831   5.283   2.196
  180   2HB   MET  24          1HB       MET  24   3.817   5.151   3.641
  181   1HG   MET  24          2HG       MET  24   3.198   7.523   2.967
  182   2HG   MET  24          1HG       MET  24   4.921   7.234   3.194
  183   1HE   MET  24          1HE       MET  24   4.793   9.820   0.307
  184   2HE   MET  24          2HE       MET  24   5.463   9.415   1.881
  185   3HE   MET  24          3HE       MET  24   3.731   9.685   1.714
  186    H    GLN  25           H        GLN  25   6.501   3.798   3.573
  187    HA   GLN  25           HA       GLN  25   8.272   6.111   3.642
  188   1HB   GLN  25          2HB       GLN  25   8.287   3.398   4.946
  189   2HB   GLN  25          1HB       GLN  25   9.688   4.459   5.069
  190   1HG   GLN  25          2HG       GLN  25   8.427   6.147   6.188
  191   2HG   GLN  25          1HG       GLN  25   6.894   5.380   5.766
  192   1HE2  GLN  25          1HE2      GLN  25   9.949   4.210   7.311
  193   2HE2  GLN  25          2HE2      GLN  25   9.169   3.471   8.628
  194    H    ALA  26           H        ALA  26   8.964   2.648   2.802
  195    HA   ALA  26           HA       ALA  26  11.463   3.122   1.599
  196   1HB   ALA  26          1HB       ALA  26  10.738   0.873   1.981
  197   2HB   ALA  26          2HB       ALA  26  10.925   1.056   0.244
  198   3HB   ALA  26          3HB       ALA  26   9.315   1.092   0.963
  199    H    ALA  27           H        ALA  27   8.247   3.742   0.291
  200    HA   ALA  27           HA       ALA  27   8.911   3.893  -2.452
  201   1HB   ALA  27          1HB       ALA  27   6.622   4.107  -2.112
  202   2HB   ALA  27          2HB       ALA  27   7.029   5.815  -2.258
  203   3HB   ALA  27          3HB       ALA  27   6.833   5.093  -0.668
  204    H    VAL  28           H        VAL  28   9.796   5.882   0.210
  205    HA   VAL  28           HA       VAL  28  10.519   8.214  -1.438
  206    HB   VAL  28           HB       VAL  28  10.981   7.661   1.497
  207   1HG1  VAL  28          1HG1      VAL  28  12.516   9.346   0.711
  208   2HG1  VAL  28          2HG1      VAL  28  11.211  10.175   1.559
  209   3HG1  VAL  28          3HG1      VAL  28  11.242  10.151  -0.198
  210   1HG2  VAL  28          1HG2      VAL  28   8.841   9.294   0.095
  211   2HG2  VAL  28          2HG2      VAL  28   9.026   9.117   1.838
  212   3HG2  VAL  28          3HG2      VAL  28   8.582   7.723   0.855
  213    H    SER  29           H        SER  29  12.048   5.387  -0.095
  214    HA   SER  29           HA       SER  29  14.758   6.415  -0.193
  215   1HB   SER  29          2HB       SER  29  15.049   4.527   1.039
  216   2HB   SER  29          1HB       SER  29  13.395   4.058   0.669
  217    HG   SER  29           HG       SER  29  15.578   2.887  -0.126
  218    H    ASN  30           H        ASN  30  12.617   4.751  -2.407
  219    HA   ASN  30           HA       ASN  30  14.795   4.572  -4.452
  220   1HB   ASN  30          2HB       ASN  30  12.100   3.226  -4.153
  221   2HB   ASN  30          1HB       ASN  30  13.044   3.158  -5.638
  222   1HD2  ASN  30          1HD2      ASN  30  14.023   2.983  -2.180
  223   2HD2  ASN  30          2HD2      ASN  30  14.853   1.508  -2.329
  224    H    GLY  31           H        GLY  31  12.480   6.617  -3.367
  225   1HA   GLY  31          2HA       GLY  31  11.460   8.503  -4.348
  226   2HA   GLY  31          1HA       GLY  31  12.547   8.272  -5.715
  227    H    ILE  32           H        ILE  32   9.762   6.518  -4.305
  228    HA   ILE  32           HA       ILE  32   8.820   5.867  -7.052
  229    HB   ILE  32           HB       ILE  32   7.655   5.093  -4.354
  230   1HG1  ILE  32          2HG1      ILE  32   9.621   3.656  -6.154
  231   2HG1  ILE  32          1HG1      ILE  32   9.922   4.232  -4.519
  232   1HG2  ILE  32          1HG2      ILE  32   6.184   4.938  -6.439
  233   2HG2  ILE  32          2HG2      ILE  32   6.402   3.442  -5.532
  234   3HG2  ILE  32          3HG2      ILE  32   7.311   3.710  -7.019
  235   1HD1  ILE  32          1HD1      ILE  32   7.693   2.635  -4.145
  236   2HD1  ILE  32          2HD1      ILE  32   9.354   2.115  -3.894
  237   3HD1  ILE  32          3HD1      ILE  32   8.554   1.779  -5.428
  238    H    TYR  33           H        TYR  33   7.378   7.144  -8.004
  239    HA   TYR  33           HA       TYR  33   6.431   9.599  -7.312
  240   1HB   TYR  33          2HB       TYR  33   4.874   7.502  -8.834
  241   2HB   TYR  33          1HB       TYR  33   4.478   9.219  -8.817
  242    HD1  TYR  33           1HD      TYR  33   5.780  10.822 -10.060
  243    HD2  TYR  33           2HD      TYR  33   7.017   6.716  -9.823
  244    HE1  TYR  33           1HE      TYR  33   7.433  11.217 -11.862
  245    HE2  TYR  33           2HE      TYR  33   8.671   7.110 -11.627
  246    HH   TYR  33           HH       TYR  33   8.605   9.406 -13.701
  247    H    ASP  34           H        ASP  34   6.149   8.431  -4.821
  248    HA   ASP  34           HA       ASP  34   3.258   8.009  -4.323
  249   1HB   ASP  34          2HB       ASP  34   3.948   7.384  -2.074
  250   2HB   ASP  34          1HB       ASP  34   4.991   6.560  -3.233
  251    H    ILE  35           H        ILE  35   5.445  10.617  -4.416
  252    HA   ILE  35           HA       ILE  35   4.899  12.219  -2.241
  253    HB   ILE  35           HB       ILE  35   6.399  12.748  -4.170
  254   1HG1  ILE  35          2HG1      ILE  35   4.536  15.105  -3.881
  255   2HG1  ILE  35          1HG1      ILE  35   5.361  14.495  -2.451
  256   1HG2  ILE  35          1HG2      ILE  35   3.880  13.709  -5.542
  257   2HG2  ILE  35          2HG2      ILE  35   4.640  12.156  -5.889
  258   3HG2  ILE  35          3HG2      ILE  35   5.513  13.655  -6.207
  259   1HD1  ILE  35          1HD1      ILE  35   6.592  16.331  -3.689
  260   2HD1  ILE  35          2HD1      ILE  35   6.806  15.191  -5.018
  261   3HD1  ILE  35          3HD1      ILE  35   7.522  14.853  -3.442
  262    H    VAL  36           H        VAL  36   3.499  14.408  -2.605
  263    HA   VAL  36           HA       VAL  36   1.357  15.315  -2.503
  264    HB   VAL  36           HB       VAL  36   0.961  13.344  -4.769
  265   1HG1  VAL  36          1HG1      VAL  36  -1.150  14.761  -5.180
  266   2HG1  VAL  36          2HG1      VAL  36  -0.991  15.261  -3.495
  267   3HG1  VAL  36          3HG1      VAL  36  -1.234  13.561  -3.886
  268   1HG2  VAL  36          1HG2      VAL  36   0.929  16.365  -4.797
  269   2HG2  VAL  36          2HG2      VAL  36   1.149  15.264  -6.157
  270   3HG2  VAL  36          3HG2      VAL  36   2.429  15.450  -4.961
  271    H    GLY  37           H        GLY  37   0.945  14.635  -0.401
  272   1HA   GLY  37          2HA       GLY  37  -1.063  12.473  -0.147
  273   2HA   GLY  37          1HA       GLY  37   0.409  12.313   0.806
  274    H    ASP  38           H        ASP  38  -2.359  12.752   1.766
  275    HA   ASP  38           HA       ASP  38  -2.348  15.529   2.769
  276   1HB   ASP  38          2HB       ASP  38  -4.244  13.197   3.060
  277   2HB   ASP  38          1HB       ASP  38  -4.464  14.696   3.959
  278    H    CYS  39           H        CYS  39  -2.826  12.408   4.463
  279    HA   CYS  39           HA       CYS  39  -1.888  13.490   6.962
  280   1HB   CYS  39          2HB       CYS  39  -2.329  11.368   7.861
  281   2HB   CYS  39          1HB       CYS  39  -3.445  11.446   6.506
  282    H    GLY  40           H        GLY  40  -0.072  13.329   4.411
  283   1HA   GLY  40          2HA       GLY  40   2.206  12.936   3.974
  284   2HA   GLY  40          1HA       GLY  40   2.422  13.259   5.699
  285    H    GLY  41           H        GLY  41   0.289  10.705   5.127
  286   1HA   GLY  41          2HA       GLY  41   0.694   8.347   4.902
  287   2HA   GLY  41          1HA       GLY  41   2.410   8.620   5.208
  288    H    SER  42           H        SER  42   0.166  10.274   7.244
  289    HA   SER  42           HA       SER  42   1.053   8.616   9.539
  290   1HB   SER  42          2HB       SER  42   0.552  10.446  10.883
  291   2HB   SER  42          1HB       SER  42   0.914  11.268   9.367
  292    HG   SER  42           HG       SER  42  -1.153  11.757  10.536
  293    H    ALA  43           H        ALA  43  -0.838   7.480   7.648
  294    HA   ALA  43           HA       ALA  43  -2.964   6.462   7.578
  295   1HB   ALA  43          1HB       ALA  43  -2.659   6.319  10.577
  296   2HB   ALA  43          2HB       ALA  43  -1.649   5.360   9.497
  297   3HB   ALA  43          3HB       ALA  43  -3.398   5.140   9.493
  298    H    SER  44           H        SER  44  -3.932   8.685   7.074
  299    HA   SER  44           HA       SER  44  -6.181   9.132   8.842
  300   1HB   SER  44          2HB       SER  44  -5.542  10.999  10.007
  301   2HB   SER  44          1HB       SER  44  -3.906  10.471   9.629
  302    HG   SER  44           HG       SER  44  -5.428  12.530   8.562
  303    H    CYS  45           H        CYS  45  -5.462   8.668   5.945
  304    HA   CYS  45           HA       CYS  45  -7.415  10.535   4.860
  305   1HB   CYS  45          2HB       CYS  45  -6.068  11.797   3.421
  306   2HB   CYS  45          1HB       CYS  45  -5.090  11.727   4.882
  307    H    ALA  46           H        ALA  46  -7.256  10.200   2.248
  308    HA   ALA  46           HA       ALA  46  -7.112   7.226   1.817
  309   1HB   ALA  46          1HB       ALA  46  -9.000   9.337   0.767
  310   2HB   ALA  46          2HB       ALA  46  -9.392   7.844   1.617
  311   3HB   ALA  46          3HB       ALA  46  -8.811   7.782  -0.040
  312    H    THR  47           H        THR  47  -5.247   9.759   1.282
  313    HA   THR  47           HA       THR  47  -4.937   9.943  -1.530
  314    HB   THR  47           HB       THR  47  -2.651  10.767  -1.033
  315    HG1  THR  47           1HG      THR  47  -2.370   9.254   0.740
  316   1HG2  THR  47          1HG2      THR  47  -3.348  12.697   0.260
  317   2HG2  THR  47          2HG2      THR  47  -4.708  11.798   0.925
  318   3HG2  THR  47          3HG2      THR  47  -4.683  12.209  -0.778
  319    H    CYS  48           H        CYS  48  -3.885   7.500   0.749
  320    HA   CYS  48           HA       CYS  48  -2.241   6.170  -1.352
  321   1HB   CYS  48          2HB       CYS  48  -1.653   4.606   0.487
  322   2HB   CYS  48          1HB       CYS  48  -1.257   6.283   0.873
  323    H    HIS  49           H        HIS  49  -4.808   6.137  -2.154
  324    HA   HIS  49           HA       HIS  49  -6.305   3.830  -1.162
  325   1HB   HIS  49          2HB       HIS  49  -7.563   5.633  -2.184
  326   2HB   HIS  49          1HB       HIS  49  -6.537   5.622  -3.589
  327    HD1  HIS  49           1HD      HIS  49  -8.777   3.000  -1.860
  328    HD2  HIS  49           2HD      HIS  49  -7.798   4.399  -5.643
  329    HE1  HIS  49           1HE      HIS  49 -10.075   1.572  -3.542
  330    HE2  HIS  49           2HE      HIS  49  -9.497   2.453  -5.821
  331    H    VAL  50           H        VAL  50  -4.943   1.965  -1.395
  332    HA   VAL  50           HA       VAL  50  -4.371   1.205  -4.238
  333    HB   VAL  50           HB       VAL  50  -2.144   0.721  -3.863
  334   1HG1  VAL  50          1HG1      VAL  50  -2.555   2.722  -1.629
  335   2HG1  VAL  50          2HG1      VAL  50  -2.598   3.149  -3.337
  336   3HG1  VAL  50          3HG1      VAL  50  -1.117   2.509  -2.626
  337   1HG2  VAL  50          1HG2      VAL  50  -2.277  -0.930  -2.160
  338   2HG2  VAL  50          2HG2      VAL  50  -2.941   0.212  -0.981
  339   3HG2  VAL  50          3HG2      VAL  50  -1.249   0.329  -1.465
  340    H    TYR  51           H        TYR  51  -4.010  -1.140  -4.468
  341    HA   TYR  51           HA       TYR  51  -5.757  -2.675  -2.587
  342   1HB   TYR  51          2HB       TYR  51  -5.168  -3.002  -5.514
  343   2HB   TYR  51          1HB       TYR  51  -6.182  -4.080  -4.603
  344    HD1  TYR  51           1HD      TYR  51  -7.990  -2.539  -3.025
  345    HD2  TYR  51           2HD      TYR  51  -6.307  -1.486  -6.855
  346    HE1  TYR  51           1HE      TYR  51  -9.816  -0.932  -3.397
  347    HE2  TYR  51           2HE      TYR  51  -8.169   0.076  -7.212
  348    HH   TYR  51           HH       TYR  51 -10.836   0.111  -5.997
  349    H    VAL  52           H        VAL  52  -4.559  -3.896  -1.298
  350    HA   VAL  52           HA       VAL  52  -1.913  -4.933  -2.094
  351    HB   VAL  52           HB       VAL  52  -3.448  -5.432   0.468
  352   1HG1  VAL  52          1HG1      VAL  52  -1.740  -7.091   0.123
  353   2HG1  VAL  52          2HG1      VAL  52  -1.141  -5.949   1.321
  354   3HG1  VAL  52          3HG1      VAL  52  -0.568  -5.858  -0.333
  355   1HG2  VAL  52          1HG2      VAL  52  -1.776  -3.739   1.411
  356   2HG2  VAL  52          2HG2      VAL  52  -3.052  -3.068   0.391
  357   3HG2  VAL  52          3HG2      VAL  52  -1.431  -3.295  -0.253
  358    H    ASN  53           H        ASN  53  -1.616  -7.030  -2.870
  359    HA   ASN  53           HA       ASN  53  -3.715  -8.651  -3.724
  360   1HB   ASN  53          2HB       ASN  53  -1.997 -10.572  -3.400
  361   2HB   ASN  53          1HB       ASN  53  -1.596  -9.270  -4.507
  362   1HD2  ASN  53          1HD2      ASN  53  -1.555  -8.310  -1.204
  363   2HD2  ASN  53          2HD2      ASN  53   0.123  -8.368  -0.976
  364    H    GLU  54           H        GLU  54  -5.223  -9.858  -2.663
  365    HA   GLU  54           HA       GLU  54  -5.579  -9.805   0.119
  366   1HB   GLU  54          2HB       GLU  54  -7.138 -11.755  -0.257
  367   2HB   GLU  54          1HB       GLU  54  -7.424 -10.365  -1.312
  368   1HG   GLU  54          2HG       GLU  54  -6.345 -11.416  -3.164
  369   2HG   GLU  54          1HG       GLU  54  -5.663 -12.680  -2.138
  370    H    ALA  55           H        ALA  55  -2.935 -11.167  -1.139
  371    HA   ALA  55           HA       ALA  55  -2.991 -13.648   0.499
  372   1HB   ALA  55          1HB       ALA  55  -1.147 -12.594  -1.643
  373   2HB   ALA  55          2HB       ALA  55  -2.111 -14.068  -1.654
  374   3HB   ALA  55          3HB       ALA  55  -0.689 -13.956  -0.618
  375    H    PHE  56           H        PHE  56  -1.761 -10.376   0.615
  376    HA   PHE  56           HA       PHE  56   0.085 -11.123   2.868
  377   1HB   PHE  56          2HB       PHE  56   0.038  -8.778   0.944
  378   2HB   PHE  56          1HB       PHE  56   1.131  -8.895   2.319
  379    HD1  PHE  56           1HD      PHE  56   0.042 -10.819  -0.708
  380    HD2  PHE  56           2HD      PHE  56   3.213  -9.966   2.044
  381    HE1  PHE  56           1HE      PHE  56   1.571 -12.261  -2.014
  382    HE2  PHE  56           2HE      PHE  56   4.728 -11.422   0.762
  383    HZ   PHE  56           HZ       PHE  56   3.918 -12.566  -1.284
  384    H    THR  57           H        THR  57  -2.885  -9.769   2.100
  385    HA   THR  57           HA       THR  57  -2.980  -7.608   4.017
  386    HB   THR  57           HB       THR  57  -5.520  -7.959   3.739
  387    HG1  THR  57           1HG      THR  57  -5.751  -9.970   3.037
  388   1HG2  THR  57          1HG2      THR  57  -3.836  -7.574   1.253
  389   2HG2  THR  57          2HG2      THR  57  -4.174  -6.325   2.459
  390   3HG2  THR  57          3HG2      THR  57  -5.485  -7.002   1.500
  391    H    ASP  58           H        ASP  58  -3.945 -11.024   4.085
  392    HA   ASP  58           HA       ASP  58  -4.884 -10.796   6.867
  393   1HB   ASP  58          2HB       ASP  58  -5.494 -13.131   6.651
  394   2HB   ASP  58          1HB       ASP  58  -5.971 -12.306   5.167
  395    H    LYS  59           H        LYS  59  -1.919 -10.658   5.732
  396    HA   LYS  59           HA       LYS  59  -0.751 -12.425   7.868
  397   1HB   LYS  59          2HB       LYS  59   0.771 -11.498   5.447
  398   2HB   LYS  59          1HB       LYS  59   1.038 -12.923   6.446
  399   1HG   LYS  59          2HG       LYS  59  -1.287 -13.706   5.590
  400   2HG   LYS  59          1HG       LYS  59  -1.109 -12.453   4.354
  401   1HD   LYS  59          2HD       LYS  59   0.806 -13.507   3.418
  402   2HD   LYS  59          1HD       LYS  59   1.060 -14.519   4.835
  403   1HE   LYS  59          2HE       LYS  59  -0.626 -16.006   4.254
  404   2HE   LYS  59          1HE       LYS  59  -1.529 -14.801   3.337
  405   1HZ   LYS  59          1HZ       LYS  59  -0.368 -16.503   1.972
  406   2HZ   LYS  59          2HZ       LYS  59   1.111 -15.852   2.495
  407   3HZ   LYS  59          3HZ       LYS  59   0.036 -14.901   1.587
  408    H    VAL  60           H        VAL  60  -0.554  -9.347   6.144
  409    HA   VAL  60           HA       VAL  60   1.462  -8.297   7.996
  410    HB   VAL  60           HB       VAL  60   0.692  -7.795   5.367
  411   1HG1  VAL  60          1HG1      VAL  60  -0.019  -5.474   5.197
  412   2HG1  VAL  60          2HG1      VAL  60  -0.155  -5.374   6.951
  413   3HG1  VAL  60          3HG1      VAL  60  -1.206  -6.455   6.052
  414   1HG2  VAL  60          1HG2      VAL  60   2.833  -7.094   5.392
  415   2HG2  VAL  60          2HG2      VAL  60   2.795  -6.842   7.127
  416   3HG2  VAL  60          3HG2      VAL  60   2.279  -5.555   6.048
  417    HA   PRO  61           HA       PRO  61  -1.173  -6.711  11.076
  418   1HB   PRO  61          2HB       PRO  61  -0.561  -3.930  11.187
  419   2HB   PRO  61          1HB       PRO  61   0.172  -5.235  12.132
  420   1HG   PRO  61          2HG       PRO  61   1.260  -3.773   9.850
  421   2HG   PRO  61          1HG       PRO  61   2.090  -4.817  11.009
  422   1HD   PRO  61          2HD       PRO  61   1.512  -5.448   8.338
  423   2HD   PRO  61          1HD       PRO  61   2.051  -6.597   9.553
  424    H    ALA  62           H        ALA  62  -3.210  -6.933  10.338
  425    HA   ALA  62           HA       ALA  62  -4.594  -5.175   8.538
  426   1HB   ALA  62          1HB       ALA  62  -5.403  -7.450   8.825
  427   2HB   ALA  62          2HB       ALA  62  -6.641  -6.344   9.421
  428   3HB   ALA  62          3HB       ALA  62  -5.600  -7.197  10.562
  429    H    ALA  63           H        ALA  63  -4.642  -3.062   9.196
  430    HA   ALA  63           HA       ALA  63  -4.656  -2.074  11.799
  431   1HB   ALA  63          1HB       ALA  63  -5.725  -0.026  10.584
  432   2HB   ALA  63          2HB       ALA  63  -5.527  -1.009   9.128
  433   3HB   ALA  63          3HB       ALA  63  -4.119  -0.567  10.091
  434    H    ASN  64           H        ASN  64  -6.265  -1.084  13.017
  435    HA   ASN  64           HA       ASN  64  -8.642  -2.576  13.450
  436   1HB   ASN  64          2HB       ASN  64  -9.355  -0.434  14.775
  437   2HB   ASN  64          1HB       ASN  64  -7.951  -1.349  15.320
  438   1HD2  ASN  64          1HD2      ASN  64  -7.147   0.714  16.291
  439   2HD2  ASN  64          2HD2      ASN  64  -6.397   1.869  15.299
  440    H    GLU  65           H        GLU  65 -10.837  -1.201  13.626
  441    HA   GLU  65           HA       GLU  65 -11.784  -0.897  10.930
  442   1HB   GLU  65          2HB       GLU  65 -13.916  -0.314  11.986
  443   2HB   GLU  65          1HB       GLU  65 -13.184  -1.705  12.790
  444   1HG   GLU  65          2HG       GLU  65 -12.150  -0.040  14.430
  445   2HG   GLU  65          1HG       GLU  65 -13.235   1.167  13.740
  446    H    ARG  66           H        ARG  66  -9.955   1.296  12.587
  447    HA   ARG  66           HA       ARG  66 -11.449   3.715  12.157
  448   1HB   ARG  66          2HB       ARG  66  -8.456   3.293  12.368
  449   2HB   ARG  66          1HB       ARG  66  -9.296   4.829  12.547
  450   1HG   ARG  66          2HG       ARG  66 -10.664   3.686  14.404
  451   2HG   ARG  66          1HG       ARG  66  -9.456   2.404  14.338
  452   1HD   ARG  66          2HD       ARG  66  -7.692   3.951  14.901
  453   2HD   ARG  66          1HD       ARG  66  -8.777   5.325  14.762
  454    HE   ARG  66           HE       ARG  66  -9.997   4.467  16.760
  455   1HH1  ARG  66          1HH2      ARG  66  -6.782   3.245  16.159
  456   2HH1  ARG  66          2HH2      ARG  66  -6.596   2.666  17.773
  457   1HH2  ARG  66          1HH1      ARG  66  -9.720   3.713  18.827
  458   2HH2  ARG  66          2HH1      ARG  66  -8.240   2.932  19.274
  459    H    GLU  67           H        GLU  67  -9.054   1.981  10.202
  460    HA   GLU  67           HA       GLU  67  -9.027   3.913   8.046
  461   1HB   GLU  67          2HB       GLU  67  -8.193   1.006   8.224
  462   2HB   GLU  67          1HB       GLU  67  -7.967   1.997   6.779
  463   1HG   GLU  67          2HG       GLU  67  -5.917   2.003   8.121
  464   2HG   GLU  67          1HG       GLU  67  -6.639   3.611   8.122
  465    H    ILE  68           H        ILE  68 -10.701   0.890   8.699
  466    HA   ILE  68           HA       ILE  68 -12.011   0.443   6.270
  467    HB   ILE  68           HB       ILE  68 -12.883   0.016   9.126
  468   1HG1  ILE  68          2HG1      ILE  68 -12.533  -2.318   8.583
  469   2HG1  ILE  68          1HG1      ILE  68 -12.360  -1.941   6.870
  470   1HG2  ILE  68          1HG2      ILE  68 -14.995   0.357   8.066
  471   2HG2  ILE  68          2HG2      ILE  68 -14.767  -1.391   8.113
  472   3HG2  ILE  68          3HG2      ILE  68 -14.485  -0.506   6.613
  473   1HD1  ILE  68          1HD1      ILE  68 -10.495  -0.856   8.993
  474   2HD1  ILE  68          2HD1      ILE  68 -10.276  -0.800   7.245
  475   3HD1  ILE  68          3HD1      ILE  68 -10.180  -2.339   8.104
  476    H    GLY  69           H        GLY  69 -12.641   2.938   8.665
  477   1HA   GLY  69          2HA       GLY  69 -15.196   3.762   7.591
  478   2HA   GLY  69          1HA       GLY  69 -14.180   4.732   8.652
  479    H    MET  70           H        MET  70 -12.230   5.785   7.546
  480    HA   MET  70           HA       MET  70 -12.963   7.451   5.435
  481   1HB   MET  70          2HB       MET  70 -10.510   7.718   4.984
  482   2HB   MET  70          1HB       MET  70 -10.918   7.858   6.692
  483   1HG   MET  70          2HG       MET  70 -10.395   5.296   6.765
  484   2HG   MET  70          1HG       MET  70  -9.549   5.592   5.253
  485   1HE   MET  70          1HE       MET  70 -10.268   6.554   8.699
  486   2HE   MET  70          2HE       MET  70  -8.947   7.556   9.288
  487   3HE   MET  70          3HE       MET  70  -8.786   5.802   9.311
  488    H    LEU  71           H        LEU  71 -11.724   4.152   5.254
  489    HA   LEU  71           HA       LEU  71 -11.231   4.027   2.447
  490   1HB   LEU  71          2HB       LEU  71 -11.993   2.039   4.569
  491   2HB   LEU  71          1HB       LEU  71 -12.055   1.524   2.895
  492    HG   LEU  71           HG       LEU  71  -9.606   2.857   4.049
  493   1HD1  LEU  71          1HD1      LEU  71  -8.729   0.449   4.217
  494   2HD1  LEU  71          2HD1      LEU  71 -10.418  -0.050   4.135
  495   3HD1  LEU  71          3HD1      LEU  71  -9.866   0.963   5.461
  496   1HD2  LEU  71          1HD2      LEU  71  -9.481   2.772   1.668
  497   2HD2  LEU  71          2HD2      LEU  71 -10.209   1.172   1.610
  498   3HD2  LEU  71          3HD2      LEU  71  -8.563   1.364   2.195
  499    H    GLU  72           H        GLU  72 -14.162   4.058   4.330
  500    HA   GLU  72           HA       GLU  72 -15.872   3.228   2.112
  501   1HB   GLU  72          2HB       GLU  72 -16.465   2.801   4.488
  502   2HB   GLU  72          1HB       GLU  72 -16.558   4.539   4.772
  503   1HG   GLU  72          2HG       GLU  72 -18.481   4.780   3.431
  504   2HG   GLU  72          1HG       GLU  72 -18.199   3.261   2.577
  505    H    CYS  73           H        CYS  73 -14.053   5.883   2.527
  506    HA   CYS  73           HA       CYS  73 -16.051   7.728   1.245
  507   1HB   CYS  73          2HB       CYS  73 -14.532   8.030   3.664
  508   2HB   CYS  73          1HB       CYS  73 -13.886   9.184   2.503
  509    HG   CYS  73           HG       CYS  73 -15.914  10.337   3.654
  510    H    VAL  74           H        VAL  74 -14.168   5.837  -0.094
  511    HA   VAL  74           HA       VAL  74 -12.112   7.634  -1.264
  512    HB   VAL  74           HB       VAL  74 -11.496   5.591  -2.558
  513   1HG1  VAL  74          1HG1      VAL  74 -11.679   5.140   0.427
  514   2HG1  VAL  74          2HG1      VAL  74 -10.517   6.221  -0.336
  515   3HG1  VAL  74          3HG1      VAL  74 -10.464   4.491  -0.672
  516   1HG2  VAL  74          1HG2      VAL  74 -12.820   3.723  -2.569
  517   2HG2  VAL  74          2HG2      VAL  74 -14.084   4.734  -1.892
  518   3HG2  VAL  74          3HG2      VAL  74 -13.058   3.779  -0.832
  519    H    THR  75           H        THR  75 -11.953   7.650  -3.699
  520    HA   THR  75           HA       THR  75 -14.664   8.054  -4.879
  521    HB   THR  75           HB       THR  75 -12.023   8.814  -6.137
  522    HG1  THR  75           1HG      THR  75 -13.519  10.610  -4.607
  523   1HG2  THR  75          1HG2      THR  75 -14.851   9.889  -6.327
  524   2HG2  THR  75          2HG2      THR  75 -13.997   8.969  -7.568
  525   3HG2  THR  75          3HG2      THR  75 -13.453  10.591  -7.144
  526    H    ALA  76           H        ALA  76 -12.197   5.695  -4.843
  527    HA   ALA  76           HA       ALA  76 -12.881   4.752  -7.599
  528   1HB   ALA  76          1HB       ALA  76 -10.507   4.563  -5.811
  529   2HB   ALA  76          2HB       ALA  76 -10.576   4.761  -7.555
  530   3HB   ALA  76          3HB       ALA  76 -10.815   3.169  -6.842
  531    H    GLU  77           H        GLU  77 -12.935   2.298  -7.774
  532    HA   GLU  77           HA       GLU  77 -15.026   1.217  -6.212
  533   1HB   GLU  77          2HB       GLU  77 -14.979  -0.120  -8.058
  534   2HB   GLU  77          1HB       GLU  77 -13.389   0.495  -8.467
  535   1HG   GLU  77          2HG       GLU  77 -12.292  -1.282  -7.285
  536   2HG   GLU  77          1HG       GLU  77 -13.789  -1.776  -6.485
  537    H    LEU  78           H        LEU  78 -14.757   0.830  -3.984
  538    HA   LEU  78           HA       LEU  78 -12.132   0.118  -2.932
  539   1HB   LEU  78          2HB       LEU  78 -14.176   1.291  -1.705
  540   2HB   LEU  78          1HB       LEU  78 -14.673  -0.367  -1.384
  541    HG   LEU  78           HG       LEU  78 -12.242  -0.736  -0.551
  542   1HD1  LEU  78          1HD1      LEU  78 -11.942   1.902  -1.497
  543   2HD1  LEU  78          2HD1      LEU  78 -10.795   0.973  -0.580
  544   3HD1  LEU  78          3HD1      LEU  78 -11.908   2.047   0.252
  545   1HD2  LEU  78          1HD2      LEU  78 -13.713   1.241   1.179
  546   2HD2  LEU  78          2HD2      LEU  78 -12.866  -0.232   1.637
  547   3HD2  LEU  78          3HD2      LEU  78 -14.433  -0.334   0.850
  548    H    LYS  79           H        LYS  79 -11.605  -1.769  -1.879
  549    HA   LYS  79           HA       LYS  79 -12.868  -4.212  -3.035
  550   1HB   LYS  79          2HB       LYS  79 -10.075  -3.294  -2.498
  551   2HB   LYS  79          1HB       LYS  79 -10.387  -5.024  -2.460
  552   1HG   LYS  79          2HG       LYS  79 -11.240  -3.315  -4.796
  553   2HG   LYS  79          1HG       LYS  79  -9.614  -3.970  -4.695
  554   1HD   LYS  79          2HD       LYS  79 -10.600  -6.262  -4.427
  555   2HD   LYS  79          1HD       LYS  79 -12.192  -5.568  -4.725
  556   1HE   LYS  79          2HE       LYS  79  -9.832  -5.502  -6.623
  557   2HE   LYS  79          1HE       LYS  79 -11.295  -6.471  -6.806
  558   1HZ   LYS  79          1HZ       LYS  79 -12.411  -4.124  -6.556
  559   2HZ   LYS  79          2HZ       LYS  79 -11.852  -4.677  -8.058
  560   3HZ   LYS  79          3HZ       LYS  79 -10.916  -3.591  -7.145
  561    HA   PRO  80           HA       PRO  80 -13.666  -5.428   1.165
  562   1HB   PRO  80          2HB       PRO  80 -12.987  -8.140   1.053
  563   2HB   PRO  80          1HB       PRO  80 -14.548  -7.470   0.537
  564   1HG   PRO  80          2HG       PRO  80 -12.181  -8.237  -1.099
  565   2HG   PRO  80          1HG       PRO  80 -13.909  -8.413  -1.453
  566   1HD   PRO  80          2HD       PRO  80 -12.406  -6.452  -2.573
  567   2HD   PRO  80          1HD       PRO  80 -14.121  -6.201  -2.175
  568    H    ASN  81           H        ASN  81 -10.645  -6.011  -0.384
  569    HA   ASN  81           HA       ASN  81  -9.221  -6.209   2.240
  570   1HB   ASN  81          2HB       ASN  81  -7.711  -7.649   1.250
  571   2HB   ASN  81          1HB       ASN  81  -9.067  -7.956   0.169
  572   1HD2  ASN  81          1HD2      ASN  81  -8.926  -7.132  -2.013
  573   2HD2  ASN  81          2HD2      ASN  81  -7.501  -6.461  -2.637
  574    H    SER  82           H        SER  82 -10.162  -3.682   0.567
  575    HA   SER  82           HA       SER  82  -7.879  -2.399  -0.490
  576   1HB   SER  82          2HB       SER  82 -10.350  -1.340   0.876
  577   2HB   SER  82          1HB       SER  82  -9.092  -0.284   0.230
  578    HG   SER  82           HG       SER  82  -9.640  -0.794  -1.718
  579    H    ARG  83           H        ARG  83  -6.657  -0.624   0.555
  580    HA   ARG  83           HA       ARG  83  -6.680  -0.322   3.424
  581   1HB   ARG  83          2HB       ARG  83  -5.284  -2.616   2.402
  582   2HB   ARG  83          1HB       ARG  83  -4.080  -1.529   3.088
  583   1HG   ARG  83          2HG       ARG  83  -5.048  -1.611   5.248
  584   2HG   ARG  83          1HG       ARG  83  -6.594  -2.203   4.642
  585   1HD   ARG  83          2HD       ARG  83  -5.914  -4.336   5.026
  586   2HD   ARG  83          1HD       ARG  83  -4.570  -4.122   3.924
  587    HE   ARG  83           HE       ARG  83  -3.924  -2.931   6.433
  588   1HH1  ARG  83          1HH2      ARG  83  -4.471  -5.943   4.857
  589   2HH1  ARG  83          2HH2      ARG  83  -3.321  -6.810   5.823
  590   1HH2  ARG  83          1HH1      ARG  83  -2.407  -4.039   7.693
  591   2HH2  ARG  83          2HH1      ARG  83  -2.155  -5.731   7.427
  592    H    LEU  84           H        LEU  84  -5.362   1.269   4.175
  593    HA   LEU  84           HA       LEU  84  -4.339   3.145   2.198
  594   1HB   LEU  84          2HB       LEU  84  -4.592   3.049   5.202
  595   2HB   LEU  84          1HB       LEU  84  -3.627   4.313   4.450
  596    HG   LEU  84           HG       LEU  84  -5.512   5.213   3.295
  597   1HD1  LEU  84          1HD1      LEU  84  -6.917   2.628   4.018
  598   2HD1  LEU  84          2HD1      LEU  84  -6.578   3.241   2.404
  599   3HD1  LEU  84          3HD1      LEU  84  -7.763   4.048   3.414
  600   1HD2  LEU  84          1HD2      LEU  84  -5.445   5.476   5.849
  601   2HD2  LEU  84          2HD2      LEU  84  -6.741   4.284   5.890
  602   3HD2  LEU  84          3HD2      LEU  84  -6.981   5.815   5.060
  603    H    CYS  85           H        CYS  85  -2.384   2.847   1.300
  604    HA   CYS  85           HA       CYS  85  -0.498   0.937   2.107
  605   1HB   CYS  85          2HB       CYS  85   0.681   1.573   0.241
  606   2HB   CYS  85          1HB       CYS  85  -0.813   2.432  -0.098
  607    HG   CYS  85           HG       CYS  85   0.594   4.462   1.318
  608    H    CYS  86           H        CYS  86  -0.904   4.079   3.568
  609    HA   CYS  86           HA       CYS  86   1.912   4.142   4.444
  610   1HB   CYS  86          2HB       CYS  86   1.312   6.171   5.630
  611   2HB   CYS  86          1HB       CYS  86   0.693   6.229   3.979
  612    H    GLN  87           H        GLN  87  -1.206   3.209   5.862
  613    HA   GLN  87           HA       GLN  87   0.084   2.859   8.499
  614   1HB   GLN  87          2HB       GLN  87  -2.374   3.609   8.052
  615   2HB   GLN  87          1HB       GLN  87  -2.692   1.889   7.827
  616   1HG   GLN  87          2HG       GLN  87  -1.692   1.445  10.070
  617   2HG   GLN  87          1HG       GLN  87  -1.476   3.179  10.291
  618   1HE2  GLN  87          1HE2      GLN  87  -3.131   4.077  11.502
  619   2HE2  GLN  87          2HE2      GLN  87  -4.743   3.547  11.504
  620    H    ILE  88           H        ILE  88   1.065   1.227   6.244
  621    HA   ILE  88           HA       ILE  88   0.418  -1.504   7.326
  622    HB   ILE  88           HB       ILE  88   1.391  -0.857   4.518
  623   1HG1  ILE  88          2HG1      ILE  88  -0.889  -0.080   4.779
  624   2HG1  ILE  88          1HG1      ILE  88  -0.901  -1.564   3.833
  625   1HG2  ILE  88          1HG2      ILE  88   0.622  -3.293   4.210
  626   2HG2  ILE  88          2HG2      ILE  88   0.650  -3.392   5.969
  627   3HG2  ILE  88          3HG2      ILE  88   2.129  -3.029   5.086
  628   1HD1  ILE  88          1HD1      ILE  88  -1.839  -1.086   6.643
  629   2HD1  ILE  88          2HD1      ILE  88  -1.262  -2.693   6.211
  630   3HD1  ILE  88          3HD1      ILE  88  -2.617  -1.979   5.343
  631    H    ILE  89           H        ILE  89   2.259  -2.976   7.393
  632    HA   ILE  89           HA       ILE  89   4.925  -1.606   7.500
  633    HB   ILE  89           HB       ILE  89   3.744  -3.559   9.499
  634   1HG1  ILE  89          2HG1      ILE  89   2.972  -1.259   9.836
  635   2HG1  ILE  89          1HG1      ILE  89   4.094  -1.708  11.110
  636   1HG2  ILE  89          1HG2      ILE  89   6.544  -2.459   9.195
  637   2HG2  ILE  89          2HG2      ILE  89   6.047  -4.150   9.256
  638   3HG2  ILE  89          3HG2      ILE  89   5.947  -3.152  10.703
  639   1HD1  ILE  89          1HD1      ILE  89   4.977   0.350  10.573
  640   2HD1  ILE  89          2HD1      ILE  89   4.425   0.274   8.906
  641   3HD1  ILE  89          3HD1      ILE  89   5.866  -0.611   9.400
  642    H    MET  90           H        MET  90   6.323  -2.631   6.165
  643    HA   MET  90           HA       MET  90   5.661  -5.314   5.150
  644   1HB   MET  90          2HB       MET  90   7.279  -3.011   4.350
  645   2HB   MET  90          1HB       MET  90   8.142  -4.524   4.094
  646   1HG   MET  90          2HG       MET  90   5.288  -4.366   3.157
  647   2HG   MET  90          1HG       MET  90   6.507  -3.506   2.247
  648   1HE   MET  90          1HE       MET  90   5.970  -7.238   3.906
  649   2HE   MET  90          2HE       MET  90   5.642  -7.914   2.317
  650   3HE   MET  90          3HE       MET  90   4.692  -6.551   2.894
  651    H    THR  91           H        THR  91   7.173  -7.072   5.268
  652    HA   THR  91           HA       THR  91   9.312  -6.887   7.304
  653    HB   THR  91           HB       THR  91   8.446  -8.783   8.580
  654    HG1  THR  91           1HG      THR  91   6.029  -9.099   7.749
  655   1HG2  THR  91          1HG2      THR  91   6.544  -7.747   9.609
  656   2HG2  THR  91          2HG2      THR  91   6.179  -6.831   8.150
  657   3HG2  THR  91          3HG2      THR  91   7.626  -6.459   9.091
  658    HA   PRO  92           HA       PRO  92  11.285  -9.486   4.334
  659   1HB   PRO  92          2HB       PRO  92  12.789 -11.131   6.025
  660   2HB   PRO  92          1HB       PRO  92  13.280  -9.523   5.475
  661   1HG   PRO  92          2HG       PRO  92  12.056 -10.345   8.061
  662   2HG   PRO  92          1HG       PRO  92  13.290  -9.113   7.739
  663   1HD   PRO  92          2HD       PRO  92  10.715  -8.455   8.234
  664   2HD   PRO  92          1HD       PRO  92  11.716  -7.511   7.108
  665    H    GLU  93           H        GLU  93   9.684 -11.032   7.099
  666    HA   GLU  93           HA       GLU  93   9.559 -13.666   5.979
  667   1HB   GLU  93          2HB       GLU  93   7.591 -13.931   7.550
  668   2HB   GLU  93          1HB       GLU  93   9.078 -13.378   8.324
  669   1HG   GLU  93          2HG       GLU  93   8.302 -11.100   8.346
  670   2HG   GLU  93          1HG       GLU  93   6.906 -11.510   7.350
  671    H    LEU  94           H        LEU  94   7.673 -10.756   5.464
  672    HA   LEU  94           HA       LEU  94   5.740 -12.278   3.782
  673   1HB   LEU  94          2HB       LEU  94   5.659  -9.671   5.219
  674   2HB   LEU  94          1HB       LEU  94   4.806  -9.685   3.695
  675    HG   LEU  94           HG       LEU  94   4.388 -11.816   5.810
  676   1HD1  LEU  94          1HD1      LEU  94   2.549  -9.464   5.345
  677   2HD1  LEU  94          2HD1      LEU  94   3.822  -9.418   6.576
  678   3HD1  LEU  94          3HD1      LEU  94   2.538 -10.618   6.678
  679   1HD2  LEU  94          1HD2      LEU  94   2.290 -11.003   3.829
  680   2HD2  LEU  94          2HD2      LEU  94   2.658 -12.588   4.500
  681   3HD2  LEU  94          3HD2      LEU  94   3.650 -11.925   3.212
  682    H    ASP  95           H        ASP  95   8.575 -11.711   3.015
  683    HA   ASP  95           HA       ASP  95   8.710  -9.648   1.078
  684   1HB   ASP  95          2HB       ASP  95  10.608 -10.847   0.160
  685   2HB   ASP  95          1HB       ASP  95  10.651 -11.012   1.909
  686    H    GLY  96           H        GLY  96   8.035  -9.507  -1.045
  687   1HA   GLY  96          2HA       GLY  96   7.437 -10.547  -3.180
  688   2HA   GLY  96          1HA       GLY  96   6.772 -11.916  -2.295
  689    H    ILE  97           H        ILE  97   5.929  -8.974  -0.793
  690    HA   ILE  97           HA       ILE  97   3.156  -9.395  -1.314
  691    HB   ILE  97           HB       ILE  97   3.949  -8.211   0.675
  692   1HG1  ILE  97          2HG1      ILE  97   2.311  -6.325  -1.019
  693   2HG1  ILE  97          1HG1      ILE  97   1.659  -7.797  -0.316
  694   1HG2  ILE  97          1HG2      ILE  97   4.596  -5.928  -1.188
  695   2HG2  ILE  97          2HG2      ILE  97   5.803  -6.981  -0.441
  696   3HG2  ILE  97          3HG2      ILE  97   4.777  -5.960   0.560
  697   1HD1  ILE  97          1HD1      ILE  97   1.188  -5.958   1.193
  698   2HD1  ILE  97          2HD1      ILE  97   2.877  -5.462   1.176
  699   3HD1  ILE  97          3HD1      ILE  97   2.415  -6.982   1.935
  700    H    VAL  98           H        VAL  98   1.853  -8.769  -2.946
  701    HA   VAL  98           HA       VAL  98   3.003  -6.971  -5.056
  702    HB   VAL  98           HB       VAL  98   0.494  -8.642  -5.259
  703   1HG1  VAL  98          1HG1      VAL  98   1.006  -8.535  -7.653
  704   2HG1  VAL  98          2HG1      VAL  98   2.498  -7.659  -7.314
  705   3HG1  VAL  98          3HG1      VAL  98   0.937  -6.907  -6.983
  706   1HG2  VAL  98          1HG2      VAL  98   2.188 -10.225  -4.621
  707   2HG2  VAL  98          2HG2      VAL  98   3.383  -9.460  -5.670
  708   3HG2  VAL  98          3HG2      VAL  98   2.029 -10.344  -6.373
  709    H    VAL  99           H        VAL  99   2.335  -4.819  -4.851
  710    HA   VAL  99           HA       VAL  99  -0.320  -4.289  -3.598
  711    HB   VAL  99           HB       VAL  99   1.764  -2.231  -4.332
  712   1HG1  VAL  99          1HG1      VAL  99  -0.412  -1.439  -3.535
  713   2HG1  VAL  99          2HG1      VAL  99   0.811  -1.126  -2.302
  714   3HG1  VAL  99          3HG1      VAL  99  -0.300  -2.483  -2.118
  715   1HG2  VAL  99          1HG2      VAL  99   2.623  -2.590  -1.942
  716   2HG2  VAL  99          2HG2      VAL  99   3.093  -3.801  -3.133
  717   3HG2  VAL  99          3HG2      VAL  99   1.796  -4.147  -1.990
  718    H    ASP 100           H        ASP 100  -1.921  -3.437  -4.818
  719    HA   ASP 100           HA       ASP 100  -1.350  -2.803  -7.683
  720   1HB   ASP 100          2HB       ASP 100  -3.519  -4.213  -6.278
  721   2HB   ASP 100          1HB       ASP 100  -4.082  -3.099  -7.526
  722    H    VAL 101           H        VAL 101  -1.462  -0.769  -8.273
  723    HA   VAL 101           HA       VAL 101  -2.865   1.215  -6.541
  724    HB   VAL 101           HB       VAL 101  -0.693   1.719  -8.585
  725   1HG1  VAL 101          1HG1      VAL 101  -1.790   3.400  -6.310
  726   2HG1  VAL 101          2HG1      VAL 101  -2.149   3.647  -8.017
  727   3HG1  VAL 101          3HG1      VAL 101  -0.505   3.874  -7.424
  728   1HG2  VAL 101          1HG2      VAL 101   0.760   1.966  -6.538
  729   2HG2  VAL 101          2HG2      VAL 101   0.225   0.312  -6.837
  730   3HG2  VAL 101          3HG2      VAL 101  -0.558   1.279  -5.591
  731    HA   PRO 102           HA       PRO 102  -5.484   1.517 -10.267
  732   1HB   PRO 102          2HB       PRO 102  -7.464   3.033  -9.264
  733   2HB   PRO 102          1HB       PRO 102  -7.221   1.371  -8.702
  734   1HG   PRO 102          2HG       PRO 102  -6.382   3.915  -7.408
  735   2HG   PRO 102          1HG       PRO 102  -7.142   2.474  -6.699
  736   1HD   PRO 102          2HD       PRO 102  -4.426   2.969  -6.590
  737   2HD   PRO 102          1HD       PRO 102  -5.148   1.343  -6.506
  738    H    ASP 103           H        ASP 103  -6.584   3.377 -11.476
  739    HA   ASP 103           HA       ASP 103  -4.647   5.563 -11.854
  740   1HB   ASP 103          2HB       ASP 103  -5.691   4.495 -13.821
  741   2HB   ASP 103          1HB       ASP 103  -7.284   4.984 -13.241
  742    H    ARG 104           H        ARG 104  -7.545   4.969 -10.126
  743    HA   ARG 104           HA       ARG 104  -8.061   7.888  -9.716
  744   1HB   ARG 104          2HB       ARG 104  -9.729   5.381  -9.593
  745   2HB   ARG 104          1HB       ARG 104 -10.209   6.769  -8.623
  746   1HG   ARG 104          2HG       ARG 104  -9.613   7.040 -11.576
  747   2HG   ARG 104          1HG       ARG 104 -11.201   6.530 -11.011
  748   1HD   ARG 104          2HD       ARG 104 -11.587   8.801 -11.052
  749   2HD   ARG 104          1HD       ARG 104 -10.879   8.725  -9.442
  750    HE   ARG 104           HE       ARG 104  -8.767   9.035 -11.324
  751   1HH1  ARG 104          1HH2      ARG 104 -11.476  10.668  -9.948
  752   2HH1  ARG 104          2HH2      ARG 104 -10.876  12.254 -10.303
  753   1HH2  ARG 104          1HH1      ARG 104  -7.975  11.096 -11.825
  754   2HH2  ARG 104          2HH1      ARG 104  -8.889  12.495 -11.376
  755    H    GLN 105           H        GLN 105  -6.161   7.881  -8.177
  756    HA   GLN 105           HA       GLN 105  -6.366   6.144  -5.823
  757   1HB   GLN 105          2HB       GLN 105  -4.186   6.965  -6.903
  758   2HB   GLN 105          1HB       GLN 105  -4.533   8.528  -6.164
  759   1HG   GLN 105          2HG       GLN 105  -4.688   7.389  -3.942
  760   2HG   GLN 105          1HG       GLN 105  -4.198   5.883  -4.717
  761   1HE2  GLN 105          1HE2      GLN 105  -1.976   5.523  -4.885
  762   2HE2  GLN 105          2HE2      GLN 105  -0.784   6.710  -4.666
  763    H    TRP 106           H        TRP 106  -7.059   9.452  -6.709
  764    HA   TRP 106           HA       TRP 106  -8.029  11.223  -5.505
  765   1HB   TRP 106          2HB       TRP 106  -9.943   9.800  -5.853
  766   2HB   TRP 106          1HB       TRP 106  -9.488   8.772  -4.504
  767    HD1  TRP 106           HD       TRP 106 -10.803   9.228  -2.425
  768    HE1  TRP 106           1HE      TRP 106 -12.034  11.289  -1.402
  769    HE3  TRP 106           3HE      TRP 106  -9.673  12.797  -5.902
  770    HZ2  TRP 106           2HZ      TRP 106 -12.419  14.031  -1.954
  771    HZ3  TRP 106           3HZ      TRP 106 -10.476  15.121  -5.621
  772    HH2  TRP 106           HH       TRP 106 -11.849  15.744  -3.653
  Start of MODEL    4
    1   1H    SER   1          1HT       SER   1  12.919  -8.282   2.723
    2   2H    SER   1          2HT       SER   1  12.050  -6.902   3.200
    3   3H    SER   1          3HT       SER   1  12.746  -6.980   1.652
    4    HA   SER   1           HA       SER   1  11.087  -9.209   1.925
    5   1HB   SER   1          2HB       SER   1   8.924  -8.033   2.267
    6   2HB   SER   1          1HB       SER   1   9.937  -7.976   3.697
    7    HG   SER   1           HG       SER   1  10.494  -5.922   2.049
    8    H    LYS   2           H        LYS   2  10.249  -9.531  -0.133
    9    HA   LYS   2           HA       LYS   2  11.034  -7.621  -2.184
   10   1HB   LYS   2          2HB       LYS   2   9.767 -10.332  -2.058
   11   2HB   LYS   2          1HB       LYS   2   9.465  -9.386  -3.506
   12   1HG   LYS   2          2HG       LYS   2  12.273  -9.724  -2.448
   13   2HG   LYS   2          1HG       LYS   2  11.541 -10.969  -3.455
   14   1HD   LYS   2          2HD       LYS   2  11.031  -9.092  -5.140
   15   2HD   LYS   2          1HD       LYS   2  12.117  -8.088  -4.177
   16   1HE   LYS   2          2HE       LYS   2  12.897 -10.777  -5.327
   17   2HE   LYS   2          1HE       LYS   2  13.233  -9.239  -6.120
   18   1HZ   LYS   2          1HZ       LYS   2  14.448 -10.419  -3.763
   19   2HZ   LYS   2          2HZ       LYS   2  14.155  -8.748  -3.680
   20   3HZ   LYS   2          3HZ       LYS   2  15.118  -9.382  -4.928
   21    H    VAL   3           H        VAL   3   9.832  -5.809  -2.472
   22    HA   VAL   3           HA       VAL   3   6.858  -5.984  -2.078
   23    HB   VAL   3           HB       VAL   3   8.855  -3.743  -1.744
   24   1HG1  VAL   3          1HG1      VAL   3   6.798  -2.856  -2.814
   25   2HG1  VAL   3          2HG1      VAL   3   7.007  -2.261  -1.178
   26   3HG1  VAL   3          3HG1      VAL   3   5.840  -3.544  -1.501
   27   1HG2  VAL   3          1HG2      VAL   3   7.665  -3.762   0.570
   28   2HG2  VAL   3          2HG2      VAL   3   8.825  -5.033   0.220
   29   3HG2  VAL   3          3HG2      VAL   3   7.103  -5.350   0.103
   30    H    VAL   4           H        VAL   4   5.938  -6.203  -4.062
   31    HA   VAL   4           HA       VAL   4   7.092  -4.660  -6.347
   32    HB   VAL   4           HB       VAL   4   5.014  -6.831  -6.390
   33   1HG1  VAL   4          1HG1      VAL   4   4.887  -5.442  -8.349
   34   2HG1  VAL   4          2HG1      VAL   4   5.740  -6.915  -8.814
   35   3HG1  VAL   4          3HG1      VAL   4   6.642  -5.428  -8.520
   36   1HG2  VAL   4          1HG2      VAL   4   8.021  -6.898  -6.626
   37   2HG2  VAL   4          2HG2      VAL   4   7.014  -8.150  -7.359
   38   3HG2  VAL   4          3HG2      VAL   4   6.978  -7.897  -5.616
   39    H    TYR   5           H        TYR   5   6.005  -3.053  -7.234
   40    HA   TYR   5           HA       TYR   5   3.309  -2.300  -6.218
   41   1HB   TYR   5          2HB       TYR   5   5.479  -0.632  -7.526
   42   2HB   TYR   5          1HB       TYR   5   3.863  -0.031  -7.163
   43    HD1  TYR   5           1HD      TYR   5   7.053  -1.198  -5.735
   44    HD2  TYR   5           2HD      TYR   5   3.158   0.395  -4.879
   45    HE1  TYR   5           1HE      TYR   5   7.761  -0.695  -3.424
   46    HE2  TYR   5           2HE      TYR   5   3.873   0.900  -2.559
   47    HH   TYR   5           HH       TYR   5   7.226   0.406  -1.513
   48    H    VAL   6           H        VAL   6   1.747  -2.956  -7.642
   49    HA   VAL   6           HA       VAL   6   2.464  -3.180 -10.536
   50    HB   VAL   6           HB       VAL   6   0.021  -4.144  -9.018
   51   1HG1  VAL   6          1HG1      VAL   6   0.937  -4.473 -11.882
   52   2HG1  VAL   6          2HG1      VAL   6  -0.584  -3.787 -11.316
   53   3HG1  VAL   6          3HG1      VAL   6  -0.276  -5.514 -11.139
   54   1HG2  VAL   6          1HG2      VAL   6   2.015  -5.356  -8.338
   55   2HG2  VAL   6          2HG2      VAL   6   2.512  -5.556 -10.024
   56   3HG2  VAL   6          3HG2      VAL   6   1.076  -6.387  -9.418
   57    H    SER   7           H        SER   7   2.067  -1.432 -11.691
   58    HA   SER   7           HA       SER   7   0.272   0.669 -10.787
   59   1HB   SER   7          2HB       SER   7   0.920   1.728 -12.991
   60   2HB   SER   7          1HB       SER   7   2.281   1.316 -11.954
   61    HG   SER   7           HG       SER   7   2.684  -0.456 -13.202
   62    H    HIS   8           H        HIS   8  -0.827   1.471 -13.266
   63    HA   HIS   8           HA       HIS   8  -3.076  -0.423 -13.430
   64   1HB   HIS   8          2HB       HIS   8  -3.770   1.507 -15.207
   65   2HB   HIS   8          1HB       HIS   8  -4.024   1.683 -13.474
   66    HD1  HIS   8           1HD      HIS   8  -1.524   2.547 -12.297
   67    HD2  HIS   8           2HD      HIS   8  -2.562   3.798 -16.138
   68    HE1  HIS   8           1HE      HIS   8  -0.203   4.670 -12.747
   69    HE2  HIS   8           2HE      HIS   8  -0.822   5.431 -15.086
   70    H    ASP   9           H        ASP   9  -0.667   1.056 -15.634
   71    HA   ASP   9           HA       ASP   9  -1.526  -0.493 -17.886
   72   1HB   ASP   9          2HB       ASP   9   0.734   0.233 -18.826
   73   2HB   ASP   9          1HB       ASP   9  -0.345   1.534 -18.327
   74    H    GLY  10           H        GLY  10  -0.016  -1.560 -15.093
   75   1HA   GLY  10          2HA       GLY  10   0.553  -3.881 -14.810
   76   2HA   GLY  10          1HA       GLY  10   0.956  -3.988 -16.517
   77    H    THR  11           H        THR  11   2.346  -1.155 -15.435
   78    HA   THR  11           HA       THR  11   4.998  -2.231 -15.579
   79    HB   THR  11           HB       THR  11   3.798   0.340 -15.536
   80    HG1  THR  11           1HG      THR  11   6.560   0.052 -15.595
   81   1HG2  THR  11          1HG2      THR  11   5.987   0.125 -13.442
   82   2HG2  THR  11          2HG2      THR  11   4.291   0.479 -13.105
   83   3HG2  THR  11          3HG2      THR  11   5.264   1.620 -14.029
   84    H    ARG  12           H        ARG  12   6.238  -3.107 -13.991
   85    HA   ARG  12           HA       ARG  12   5.191  -3.054 -11.179
   86   1HB   ARG  12          2HB       ARG  12   7.135  -5.068 -12.276
   87   2HB   ARG  12          1HB       ARG  12   6.147  -5.188 -10.825
   88   1HG   ARG  12          2HG       ARG  12   4.415  -6.117 -11.979
   89   2HG   ARG  12          1HG       ARG  12   4.398  -4.799 -13.131
   90   1HD   ARG  12          2HD       ARG  12   6.653  -6.516 -13.738
   91   2HD   ARG  12          1HD       ARG  12   5.207  -7.491 -13.600
   92    HE   ARG  12           HE       ARG  12   4.164  -6.143 -15.342
   93   1HH1  ARG  12          1HH2      ARG  12   7.546  -5.543 -14.794
   94   2HH1  ARG  12          2HH2      ARG  12   7.770  -4.781 -16.326
   95   1HH2  ARG  12          1HH1      ARG  12   4.467  -5.153 -17.301
   96   2HH2  ARG  12          2HH1      ARG  12   6.029  -4.552 -17.750
   97    H    ARG  13           H        ARG  13   6.738  -2.944  -9.447
   98    HA   ARG  13           HA       ARG  13   9.525  -2.149 -10.087
   99   1HB   ARG  13          2HB       ARG  13   8.065  -0.516  -8.002
  100   2HB   ARG  13          1HB       ARG  13   9.517  -0.121  -8.905
  101   1HG   ARG  13          2HG       ARG  13   6.833  -0.333 -10.293
  102   2HG   ARG  13          1HG       ARG  13   7.335   1.144  -9.492
  103   1HD   ARG  13          2HD       ARG  13   9.209  -0.175 -11.452
  104   2HD   ARG  13          1HD       ARG  13   7.896   0.851 -12.039
  105    HE   ARG  13           HE       ARG  13  10.283   1.750 -10.558
  106   1HH1  ARG  13          1HH2      ARG  13   7.069   2.431 -11.683
  107   2HH1  ARG  13          2HH2      ARG  13   7.214   4.134 -11.418
  108   1HH2  ARG  13          1HH1      ARG  13  10.448   3.976 -10.215
  109   2HH2  ARG  13          2HH1      ARG  13   9.106   5.003 -10.589
  110    H    GLU  14           H        GLU  14  10.609  -3.699  -8.881
  111    HA   GLU  14           HA       GLU  14   9.361  -4.703  -6.367
  112   1HB   GLU  14          2HB       GLU  14  11.911  -5.787  -7.578
  113   2HB   GLU  14          1HB       GLU  14  10.696  -6.619  -6.610
  114   1HG   GLU  14          2HG       GLU  14  10.281  -7.407  -8.786
  115   2HG   GLU  14          1HG       GLU  14   9.084  -6.128  -8.592
  116    H    LEU  15           H        LEU  15  10.144  -4.030  -4.422
  117    HA   LEU  15           HA       LEU  15  12.835  -2.690  -4.325
  118   1HB   LEU  15          2HB       LEU  15  10.553  -2.266  -2.375
  119   2HB   LEU  15          1HB       LEU  15  12.026  -1.327  -2.524
  120    HG   LEU  15           HG       LEU  15   9.724  -1.460  -4.414
  121   1HD1  LEU  15          1HD1      LEU  15  11.010   0.933  -3.082
  122   2HD1  LEU  15          2HD1      LEU  15   9.690   0.033  -2.340
  123   3HD1  LEU  15          3HD1      LEU  15   9.439   0.861  -3.871
  124   1HD2  LEU  15          1HD2      LEU  15  11.207   0.395  -5.607
  125   2HD2  LEU  15          2HD2      LEU  15  11.511  -1.301  -5.946
  126   3HD2  LEU  15          3HD2      LEU  15  12.535  -0.439  -4.808
  127    H    ASP  16           H        ASP  16  13.078  -2.510  -1.697
  128    HA   ASP  16           HA       ASP  16  12.829  -5.210  -0.507
  129   1HB   ASP  16          2HB       ASP  16  15.181  -4.829  -1.497
  130   2HB   ASP  16          1HB       ASP  16  15.368  -3.548  -0.304
  131    H    VAL  17           H        VAL  17  11.306  -4.490   0.981
  132    HA   VAL  17           HA       VAL  17  11.884  -1.979   2.528
  133    HB   VAL  17           HB       VAL  17   9.299  -3.609   2.408
  134   1HG1  VAL  17          1HG1      VAL  17   8.396  -1.257   2.950
  135   2HG1  VAL  17          2HG1      VAL  17  10.053  -0.871   3.393
  136   3HG1  VAL  17          3HG1      VAL  17   9.181  -2.158   4.244
  137   1HG2  VAL  17          1HG2      VAL  17  10.365  -1.343   0.691
  138   2HG2  VAL  17          2HG2      VAL  17   8.650  -1.725   0.774
  139   3HG2  VAL  17          3HG2      VAL  17   9.798  -2.912   0.160
  140    H    ALA  18           H        ALA  18  12.942  -2.362   4.372
  141    HA   ALA  18           HA       ALA  18  13.184  -4.982   5.534
  142   1HB   ALA  18          1HB       ALA  18  14.492  -3.867   7.259
  143   2HB   ALA  18          2HB       ALA  18  13.874  -2.297   6.747
  144   3HB   ALA  18          3HB       ALA  18  14.930  -3.221   5.680
  145    H    ASP  19           H        ASP  19  12.871  -5.115   8.032
  146    HA   ASP  19           HA       ASP  19  10.077  -5.157   8.553
  147   1HB   ASP  19          2HB       ASP  19  10.874  -5.652  10.924
  148   2HB   ASP  19          1HB       ASP  19  11.447  -6.748   9.665
  149    H    GLY  20           H        GLY  20   8.782  -3.734   9.457
  150   1HA   GLY  20          2HA       GLY  20   8.155  -1.923  10.928
  151   2HA   GLY  20          1HA       GLY  20   9.850  -1.482  11.067
  152    H    VAL  21           H        VAL  21   9.920  -1.697   7.913
  153    HA   VAL  21           HA       VAL  21   9.290   1.145   7.557
  154    HB   VAL  21           HB       VAL  21  10.340  -0.895   5.602
  155   1HG1  VAL  21          1HG1      VAL  21  11.110   1.060   4.327
  156   2HG1  VAL  21          2HG1      VAL  21  10.331   2.118   5.504
  157   3HG1  VAL  21          3HG1      VAL  21   9.357   1.045   4.496
  158   1HG2  VAL  21          1HG2      VAL  21  11.747  -0.420   7.692
  159   2HG2  VAL  21          2HG2      VAL  21  11.973   1.192   7.012
  160   3HG2  VAL  21          3HG2      VAL  21  12.528  -0.229   6.114
  161    H    SER  22           H        SER  22   7.572   1.928   6.349
  162    HA   SER  22           HA       SER  22   5.492  -0.050   5.577
  163   1HB   SER  22          2HB       SER  22   3.976   1.815   5.532
  164   2HB   SER  22          1HB       SER  22   4.979   2.031   6.964
  165    HG   SER  22           HG       SER  22   6.082   3.111   4.709
  166    H    LEU  23           H        LEU  23   4.687  -0.203   3.470
  167    HA   LEU  23           HA       LEU  23   6.438   0.002   1.302
  168   1HB   LEU  23          2HB       LEU  23   3.459   0.482   1.054
  169   2HB   LEU  23          1HB       LEU  23   4.530  -0.257  -0.127
  170    HG   LEU  23           HG       LEU  23   3.530  -1.415   2.469
  171   1HD1  LEU  23          1HD1      LEU  23   2.881  -3.273   1.023
  172   2HD1  LEU  23          2HD1      LEU  23   3.677  -2.503  -0.348
  173   3HD1  LEU  23          3HD1      LEU  23   2.245  -1.765   0.367
  174   1HD2  LEU  23          1HD2      LEU  23   5.949  -2.228   0.853
  175   2HD2  LEU  23          2HD2      LEU  23   5.114  -3.343   1.923
  176   3HD2  LEU  23          3HD2      LEU  23   5.873  -1.902   2.582
  177    H    MET  24           H        MET  24   4.332   2.452   2.649
  178    HA   MET  24           HA       MET  24   4.646   4.392   0.557
  179   1HB   MET  24          2HB       MET  24   2.828   4.717   2.027
  180   2HB   MET  24          1HB       MET  24   3.827   4.450   3.451
  181   1HG   MET  24          2HG       MET  24   3.144   6.873   3.005
  182   2HG   MET  24          1HG       MET  24   4.869   6.596   3.239
  183   1HE   MET  24          1HE       MET  24   5.300   8.943   2.175
  184   2HE   MET  24          2HE       MET  24   3.561   9.131   1.967
  185   3HE   MET  24          3HE       MET  24   4.643   9.463   0.613
  186    H    GLN  25           H        GLN  25   6.594   3.487   3.346
  187    HA   GLN  25           HA       GLN  25   8.246   5.874   3.292
  188   1HB   GLN  25          2HB       GLN  25   8.461   3.183   4.622
  189   2HB   GLN  25          1HB       GLN  25   9.819   4.304   4.668
  190   1HG   GLN  25          2HG       GLN  25   7.029   5.136   5.484
  191   2HG   GLN  25          1HG       GLN  25   8.159   4.416   6.625
  192   1HE2  GLN  25          1HE2      GLN  25  10.469   5.554   6.524
  193   2HE2  GLN  25          2HE2      GLN  25  10.438   7.249   6.437
  194    H    ALA  26           H        ALA  26   9.024   2.449   2.368
  195    HA   ALA  26           HA       ALA  26  11.471   3.137   1.072
  196   1HB   ALA  26          1HB       ALA  26   9.557   0.840   0.641
  197   2HB   ALA  26          2HB       ALA  26  11.024   0.846   1.623
  198   3HB   ALA  26          3HB       ALA  26  11.135   0.943  -0.130
  199    H    ALA  27           H        ALA  27   8.162   3.463  -0.088
  200    HA   ALA  27           HA       ALA  27   8.741   3.491  -2.891
  201   1HB   ALA  27          1HB       ALA  27   6.618   5.122  -2.780
  202   2HB   ALA  27          2HB       ALA  27   6.551   4.517  -1.122
  203   3HB   ALA  27          3HB       ALA  27   6.450   3.392  -2.474
  204    H    VAL  28           H        VAL  28   9.260   5.760  -0.332
  205    HA   VAL  28           HA       VAL  28   9.654   8.078  -2.085
  206    HB   VAL  28           HB       VAL  28  10.347   7.648   0.830
  207   1HG1  VAL  28          1HG1      VAL  28  10.350  10.209   0.791
  208   2HG1  VAL  28          2HG1      VAL  28  10.441  10.077  -0.957
  209   3HG1  VAL  28          3HG1      VAL  28  11.734   9.416   0.034
  210   1HG2  VAL  28          1HG2      VAL  28   7.894   7.580   0.107
  211   2HG2  VAL  28          2HG2      VAL  28   8.089   9.266  -0.372
  212   3HG2  VAL  28          3HG2      VAL  28   8.303   8.800   1.316
  213    H    SER  29           H        SER  29  11.557   5.480  -0.816
  214    HA   SER  29           HA       SER  29  14.136   6.783  -1.252
  215   1HB   SER  29          2HB       SER  29  14.746   5.104   0.149
  216   2HB   SER  29          1HB       SER  29  13.132   4.424   0.016
  217    HG   SER  29           HG       SER  29  15.472   3.609  -1.089
  218    H    ASN  30           H        ASN  30  11.931   4.781  -3.058
  219    HA   ASN  30           HA       ASN  30  13.929   4.471  -5.264
  220   1HB   ASN  30          2HB       ASN  30  11.356   3.061  -4.533
  221   2HB   ASN  30          1HB       ASN  30  12.029   2.952  -6.158
  222   1HD2  ASN  30          1HD2      ASN  30  12.966   2.464  -2.728
  223   2HD2  ASN  30          2HD2      ASN  30  14.076   1.220  -3.047
  224    H    GLY  31           H        GLY  31  11.687   6.594  -4.172
  225   1HA   GLY  31          2HA       GLY  31  10.523   8.347  -5.230
  226   2HA   GLY  31          1HA       GLY  31  11.492   7.999  -6.663
  227    H    ILE  32           H        ILE  32   8.700   6.704  -4.853
  228    HA   ILE  32           HA       ILE  32   7.471   5.944  -7.494
  229    HB   ILE  32           HB       ILE  32   7.433   4.462  -4.858
  230   1HG1  ILE  32          2HG1      ILE  32   8.312   3.677  -7.654
  231   2HG1  ILE  32          1HG1      ILE  32   9.400   4.166  -6.357
  232   1HG2  ILE  32          1HG2      ILE  32   5.186   4.322  -5.715
  233   2HG2  ILE  32          2HG2      ILE  32   5.981   2.811  -6.144
  234   3HG2  ILE  32          3HG2      ILE  32   5.766   4.068  -7.358
  235   1HD1  ILE  32          1HD1      ILE  32   9.503   1.916  -5.979
  236   2HD1  ILE  32          2HD1      ILE  32   7.950   1.607  -6.746
  237   3HD1  ILE  32          3HD1      ILE  32   8.008   2.199  -5.092
  238    H    TYR  33           H        TYR  33   6.750   6.889  -4.112
  239    HA   TYR  33           HA       TYR  33   3.957   7.415  -4.809
  240   1HB   TYR  33          2HB       TYR  33   5.502   7.146  -2.377
  241   2HB   TYR  33          1HB       TYR  33   4.608   8.661  -2.301
  242    HD1  TYR  33           1HD      TYR  33   2.088   8.475  -3.202
  243    HD2  TYR  33           2HD      TYR  33   4.400   5.206  -1.655
  244    HE1  TYR  33           1HE      TYR  33   0.003   7.224  -2.722
  245    HE2  TYR  33           2HE      TYR  33   2.316   3.957  -1.176
  246    HH   TYR  33           HH       TYR  33  -0.176   4.665  -0.701
  247    H    ASP  34           H        ASP  34   6.433   8.937  -5.922
  248    HA   ASP  34           HA       ASP  34   6.338  11.653  -5.171
  249   1HB   ASP  34          2HB       ASP  34   7.276  12.123  -7.419
  250   2HB   ASP  34          1HB       ASP  34   8.078  10.757  -6.643
  251    H    ILE  35           H        ILE  35   3.779  11.140  -4.987
  252    HA   ILE  35           HA       ILE  35   2.480  12.621  -7.264
  253    HB   ILE  35           HB       ILE  35   1.310  10.363  -5.608
  254   1HG1  ILE  35          2HG1      ILE  35   2.806   9.562  -7.375
  255   2HG1  ILE  35          1HG1      ILE  35   1.135   9.208  -7.797
  256   1HG2  ILE  35          1HG2      ILE  35  -0.498  11.824  -5.959
  257   2HG2  ILE  35          2HG2      ILE  35  -0.615  10.706  -7.313
  258   3HG2  ILE  35          3HG2      ILE  35   0.080  12.307  -7.549
  259   1HD1  ILE  35          1HD1      ILE  35   3.033  11.171  -9.027
  260   2HD1  ILE  35          2HD1      ILE  35   1.317  11.570  -9.037
  261   3HD1  ILE  35          3HD1      ILE  35   1.887  10.090  -9.807
  262    H    VAL  36           H        VAL  36   0.948  11.563  -4.257
  263    HA   VAL  36           HA       VAL  36   1.164  14.291  -3.114
  264    HB   VAL  36           HB       VAL  36  -1.474  12.988  -3.857
  265   1HG1  VAL  36          1HG1      VAL  36  -2.370  15.195  -2.855
  266   2HG1  VAL  36          2HG1      VAL  36  -0.801  15.321  -2.058
  267   3HG1  VAL  36          3HG1      VAL  36  -1.853  13.945  -1.728
  268   1HG2  VAL  36          1HG2      VAL  36  -0.508  14.163  -5.730
  269   2HG2  VAL  36          2HG2      VAL  36  -0.060  15.531  -4.709
  270   3HG2  VAL  36          3HG2      VAL  36  -1.759  15.208  -5.053
  271    H    GLY  37           H        GLY  37   0.228  14.342  -0.886
  272   1HA   GLY  37          2HA       GLY  37  -0.433  11.850   0.441
  273   2HA   GLY  37          1HA       GLY  37   1.213  12.377   0.803
  274    H    ASP  38           H        ASP  38  -2.043  12.742   1.683
  275    HA   ASP  38           HA       ASP  38  -1.722  15.455   2.794
  276   1HB   ASP  38          2HB       ASP  38  -3.970  13.434   2.806
  277   2HB   ASP  38          1HB       ASP  38  -4.052  14.939   3.722
  278    H    CYS  39           H        CYS  39  -3.349  12.945   4.616
  279    HA   CYS  39           HA       CYS  39  -2.229  13.649   7.088
  280   1HB   CYS  39          2HB       CYS  39  -3.388  11.833   7.933
  281   2HB   CYS  39          1HB       CYS  39  -4.156  11.924   6.362
  282    H    GLY  40           H        GLY  40  -0.922  11.655   4.534
  283   1HA   GLY  40          2HA       GLY  40   1.122  10.503   4.353
  284   2HA   GLY  40          1HA       GLY  40   1.756  11.895   5.235
  285    H    GLY  41           H        GLY  41  -0.120   8.906   5.947
  286   1HA   GLY  41          2HA       GLY  41   0.486   7.237   7.567
  287   2HA   GLY  41          1HA       GLY  41   1.818   8.261   8.075
  288    H    SER  42           H        SER  42  -1.776   8.698   7.965
  289    HA   SER  42           HA       SER  42  -1.743   8.946  10.900
  290   1HB   SER  42          2HB       SER  42  -1.532  11.297   9.209
  291   2HB   SER  42          1HB       SER  42  -3.009  11.366  10.176
  292    HG   SER  42           HG       SER  42  -1.279  10.503  11.837
  293    H    ALA  43           H        ALA  43  -3.177   7.649   8.416
  294    HA   ALA  43           HA       ALA  43  -5.394   7.055   7.841
  295   1HB   ALA  43          1HB       ALA  43  -4.697   6.059  10.225
  296   2HB   ALA  43          2HB       ALA  43  -6.315   5.817   9.577
  297   3HB   ALA  43          3HB       ALA  43  -6.026   7.073  10.784
  298    H    SER  44           H        SER  44  -5.649   9.428   7.091
  299    HA   SER  44           HA       SER  44  -8.152  10.429   8.206
  300   1HB   SER  44          2HB       SER  44  -6.279  11.360   9.700
  301   2HB   SER  44          1HB       SER  44  -5.788  12.312   8.298
  302    HG   SER  44           HG       SER  44  -8.290  12.324   9.642
  303    H    CYS  45           H        CYS  45  -6.749   9.589   5.607
  304    HA   CYS  45           HA       CYS  45  -8.003  11.683   3.979
  305   1HB   CYS  45          2HB       CYS  45  -6.113  12.487   2.865
  306   2HB   CYS  45          1HB       CYS  45  -5.516  12.326   4.514
  307    H    ALA  46           H        ALA  46  -6.657  10.884   1.559
  308    HA   ALA  46           HA       ALA  46  -7.143   7.972   1.320
  309   1HB   ALA  46          1HB       ALA  46  -8.851  10.132   0.101
  310   2HB   ALA  46          2HB       ALA  46  -9.344   8.594   0.811
  311   3HB   ALA  46          3HB       ALA  46  -8.601   8.633  -0.782
  312    H    THR  47           H        THR  47  -4.965  10.100   0.992
  313    HA   THR  47           HA       THR  47  -4.376  10.236  -1.831
  314    HB   THR  47           HB       THR  47  -2.126  11.001  -1.039
  315    HG1  THR  47           1HG      THR  47  -1.702  10.077   0.817
  316   1HG2  THR  47          1HG2      THR  47  -4.577  12.206   0.261
  317   2HG2  THR  47          2HG2      THR  47  -3.893  12.637  -1.300
  318   3HG2  THR  47          3HG2      THR  47  -3.008  13.009   0.174
  319    H    CYS  48           H        CYS  48  -3.349   8.056   0.794
  320    HA   CYS  48           HA       CYS  48  -1.644   6.552  -1.107
  321   1HB   CYS  48          2HB       CYS  48  -0.843   5.382   0.790
  322   2HB   CYS  48          1HB       CYS  48  -1.014   7.054   1.310
  323    H    HIS  49           H        HIS  49  -4.267   6.450  -1.926
  324    HA   HIS  49           HA       HIS  49  -5.651   4.097  -0.883
  325   1HB   HIS  49          2HB       HIS  49  -6.997   5.841  -1.854
  326   2HB   HIS  49          1HB       HIS  49  -6.016   5.880  -3.291
  327    HD1  HIS  49           1HD      HIS  49  -8.294   3.299  -1.533
  328    HD2  HIS  49           2HD      HIS  49  -7.113   4.490  -5.325
  329    HE1  HIS  49           1HE      HIS  49  -9.550   1.814  -3.209
  330    HE2  HIS  49           2HE      HIS  49  -8.792   2.532  -5.497
  331    H    VAL  50           H        VAL  50  -4.791   2.073  -1.288
  332    HA   VAL  50           HA       VAL  50  -4.076   1.419  -4.088
  333    HB   VAL  50           HB       VAL  50  -1.866   0.848  -3.748
  334   1HG1  VAL  50          1HG1      VAL  50  -0.758   2.474  -2.279
  335   2HG1  VAL  50          2HG1      VAL  50  -2.287   2.804  -1.467
  336   3HG1  VAL  50          3HG1      VAL  50  -2.079   3.237  -3.162
  337   1HG2  VAL  50          1HG2      VAL  50  -2.638   0.239  -0.878
  338   2HG2  VAL  50          2HG2      VAL  50  -0.959   0.260  -1.418
  339   3HG2  VAL  50          3HG2      VAL  50  -2.098  -0.889  -2.128
  340    H    TYR  51           H        TYR  51  -3.790  -0.951  -4.341
  341    HA   TYR  51           HA       TYR  51  -5.604  -2.450  -2.489
  342   1HB   TYR  51          2HB       TYR  51  -5.038  -2.722  -5.429
  343   2HB   TYR  51          1HB       TYR  51  -6.093  -3.788  -4.541
  344    HD1  TYR  51           1HD      TYR  51  -7.847  -2.285  -2.946
  345    HD2  TYR  51           2HD      TYR  51  -6.083  -1.069  -6.677
  346    HE1  TYR  51           1HE      TYR  51  -9.614  -0.585  -3.246
  347    HE2  TYR  51           2HE      TYR  51  -7.884   0.581  -6.961
  348    HH   TYR  51           HH       TYR  51 -10.673   0.596  -5.441
  349    H    VAL  52           H        VAL  52  -4.414  -3.704  -1.230
  350    HA   VAL  52           HA       VAL  52  -1.812  -4.812  -2.068
  351    HB   VAL  52           HB       VAL  52  -3.370  -5.141   0.515
  352   1HG1  VAL  52          1HG1      VAL  52  -2.000  -7.081   0.273
  353   2HG1  VAL  52          2HG1      VAL  52  -1.116  -5.995   1.347
  354   3HG1  VAL  52          3HG1      VAL  52  -0.651  -6.134  -0.342
  355   1HG2  VAL  52          1HG2      VAL  52  -1.505  -3.716   1.436
  356   2HG2  VAL  52          2HG2      VAL  52  -2.531  -2.870   0.270
  357   3HG2  VAL  52          3HG2      VAL  52  -0.948  -3.467  -0.220
  358    H    ASN  53           H        ASN  53  -1.510  -6.938  -2.740
  359    HA   ASN  53           HA       ASN  53  -3.659  -8.488  -3.658
  360   1HB   ASN  53          2HB       ASN  53  -1.569  -9.170  -4.441
  361   2HB   ASN  53          1HB       ASN  53  -0.840  -9.149  -2.842
  362   1HD2  ASN  53          1HD2      ASN  53  -0.078 -11.392  -3.457
  363   2HD2  ASN  53          2HD2      ASN  53  -1.143 -12.700  -3.245
  364    H    GLU  54           H        GLU  54  -5.203  -9.650  -2.640
  365    HA   GLU  54           HA       GLU  54  -5.645  -9.575   0.125
  366   1HB   GLU  54          2HB       GLU  54  -7.337 -11.297  -0.250
  367   2HB   GLU  54          1HB       GLU  54  -7.367 -10.117  -1.562
  368   1HG   GLU  54          2HG       GLU  54  -5.837 -11.664  -2.864
  369   2HG   GLU  54          1HG       GLU  54  -6.109 -12.873  -1.608
  370    H    ALA  55           H        ALA  55  -2.979 -10.996  -0.986
  371    HA   ALA  55           HA       ALA  55  -3.196 -13.461   0.675
  372   1HB   ALA  55          1HB       ALA  55  -2.278 -13.483  -1.724
  373   2HB   ALA  55          2HB       ALA  55  -1.316 -14.290  -0.482
  374   3HB   ALA  55          3HB       ALA  55  -0.852 -12.691  -1.054
  375    H    PHE  56           H        PHE  56  -1.795 -10.242   0.712
  376    HA   PHE  56           HA       PHE  56  -0.023 -11.003   2.993
  377   1HB   PHE  56          2HB       PHE  56  -0.052  -8.668   1.090
  378   2HB   PHE  56          1HB       PHE  56   1.060  -8.807   2.455
  379    HD1  PHE  56           1HD      PHE  56  -0.070 -10.567  -0.631
  380    HD2  PHE  56           2HD      PHE  56   3.053 -10.076   2.257
  381    HE1  PHE  56           1HE      PHE  56   1.400 -12.062  -1.960
  382    HE2  PHE  56           2HE      PHE  56   4.514 -11.569   0.960
  383    HZ   PHE  56           HZ       PHE  56   3.697 -12.563  -1.162
  384    H    THR  57           H        THR  57  -2.953  -9.476   2.191
  385    HA   THR  57           HA       THR  57  -2.944  -7.397   4.202
  386    HB   THR  57           HB       THR  57  -5.509  -7.568   3.896
  387    HG1  THR  57           1HG      THR  57  -6.175  -8.860   2.226
  388   1HG2  THR  57          1HG2      THR  57  -5.429  -6.284   1.942
  389   2HG2  THR  57          2HG2      THR  57  -4.102  -7.220   1.263
  390   3HG2  THR  57          3HG2      THR  57  -3.800  -6.085   2.580
  391    H    ASP  58           H        ASP  58  -4.040 -10.767   4.153
  392    HA   ASP  58           HA       ASP  58  -5.077 -10.560   6.901
  393   1HB   ASP  58          2HB       ASP  58  -5.658 -12.925   6.635
  394   2HB   ASP  58          1HB       ASP  58  -6.192 -12.013   5.221
  395    H    LYS  59           H        LYS  59  -2.071 -10.504   5.863
  396    HA   LYS  59           HA       LYS  59  -1.035 -12.328   8.019
  397   1HB   LYS  59          2HB       LYS  59   0.602 -11.463   5.658
  398   2HB   LYS  59          1HB       LYS  59   0.747 -12.920   6.633
  399   1HG   LYS  59          2HG       LYS  59  -1.604 -13.529   5.689
  400   2HG   LYS  59          1HG       LYS  59  -1.287 -12.279   4.478
  401   1HD   LYS  59          2HD       LYS  59   0.570 -13.466   3.589
  402   2HD   LYS  59          1HD       LYS  59   0.709 -14.497   5.011
  403   1HE   LYS  59          2HE       LYS  59  -1.887 -14.644   3.538
  404   2HE   LYS  59          1HE       LYS  59  -0.479 -15.348   2.742
  405   1HZ   LYS  59          1HZ       LYS  59  -1.555 -16.976   4.132
  406   2HZ   LYS  59          2HZ       LYS  59  -1.429 -15.961   5.487
  407   3HZ   LYS  59          3HZ       LYS  59  -0.030 -16.605   4.769
  408    H    VAL  60           H        VAL  60  -0.680  -9.254   6.324
  409    HA   VAL  60           HA       VAL  60   1.344  -8.285   8.205
  410    HB   VAL  60           HB       VAL  60   0.465  -7.655   5.591
  411   1HG1  VAL  60          1HG1      VAL  60  -1.163  -6.080   6.583
  412   2HG1  VAL  60          2HG1      VAL  60  -0.001  -5.318   5.507
  413   3HG1  VAL  60          3HG1      VAL  60   0.184  -5.161   7.245
  414   1HG2  VAL  60          1HG2      VAL  60   2.816  -7.127   7.184
  415   2HG2  VAL  60          2HG2      VAL  60   2.391  -5.681   6.278
  416   3HG2  VAL  60          3HG2      VAL  60   2.666  -7.203   5.436
  417    HA   PRO  61           HA       PRO  61  -1.161  -6.663  11.375
  418   1HB   PRO  61          2HB       PRO  61  -0.465  -3.857  11.174
  419   2HB   PRO  61          1HB       PRO  61   0.115  -5.051  12.342
  420   1HG   PRO  61          2HG       PRO  61   1.466  -3.983   9.993
  421   2HG   PRO  61          1HG       PRO  61   2.127  -4.961  11.316
  422   1HD   PRO  61          2HD       PRO  61   1.720  -5.851   8.704
  423   2HD   PRO  61          1HD       PRO  61   1.944  -6.908  10.082
  424    H    ALA  62           H        ALA  62  -3.257  -6.862  10.681
  425    HA   ALA  62           HA       ALA  62  -4.483  -5.158   8.712
  426   1HB   ALA  62          1HB       ALA  62  -6.590  -6.309   9.503
  427   2HB   ALA  62          2HB       ALA  62  -5.608  -7.155  10.700
  428   3HB   ALA  62          3HB       ALA  62  -5.321  -7.417   8.980
  429    H    ALA  63           H        ALA  63  -4.519  -3.016   9.359
  430    HA   ALA  63           HA       ALA  63  -4.675  -1.958  11.894
  431   1HB   ALA  63          1HB       ALA  63  -4.450  -0.905   9.479
  432   2HB   ALA  63          2HB       ALA  63  -5.062   0.068  10.819
  433   3HB   ALA  63          3HB       ALA  63  -6.185  -0.641   9.653
  434    H    ASN  64           H        ASN  64  -6.270  -1.380  13.280
  435    HA   ASN  64           HA       ASN  64  -8.580  -2.967  13.541
  436   1HB   ASN  64          2HB       ASN  64  -9.427  -0.928  14.991
  437   2HB   ASN  64          1HB       ASN  64  -8.022  -1.854  15.515
  438   1HD2  ASN  64          1HD2      ASN  64  -7.240   0.106  16.645
  439   2HD2  ASN  64          2HD2      ASN  64  -6.502   1.356  15.772
  440    H    GLU  65           H        GLU  65 -10.844  -1.631  13.815
  441    HA   GLU  65           HA       GLU  65 -11.744  -1.234  11.116
  442   1HB   GLU  65          2HB       GLU  65 -13.917  -0.736  12.137
  443   2HB   GLU  65          1HB       GLU  65 -13.185  -2.156  12.886
  444   1HG   GLU  65          2HG       GLU  65 -12.235  -0.544  14.645
  445   2HG   GLU  65          1HG       GLU  65 -13.358   0.651  14.000
  446    H    ARG  66           H        ARG  66 -10.016   0.864  13.005
  447    HA   ARG  66           HA       ARG  66 -11.414   3.330  12.599
  448   1HB   ARG  66          2HB       ARG  66  -8.574   2.566  13.206
  449   2HB   ARG  66          1HB       ARG  66  -8.920   4.228  12.753
  450   1HG   ARG  66          2HG       ARG  66 -10.256   4.613  14.641
  451   2HG   ARG  66          1HG       ARG  66 -10.601   2.903  14.884
  452   1HD   ARG  66          2HD       ARG  66  -8.673   2.559  16.092
  453   2HD   ARG  66          1HD       ARG  66  -7.727   3.680  15.111
  454    HE   ARG  66           HE       ARG  66  -8.223   5.335  16.697
  455   1HH1  ARG  66          1HH2      ARG  66 -10.517   2.760  16.773
  456   2HH1  ARG  66          2HH2      ARG  66 -11.461   3.460  18.045
  457   1HH2  ARG  66          1HH1      ARG  66  -9.483   6.290  18.328
  458   2HH2  ARG  66          2HH1      ARG  66 -10.882   5.458  18.915
  459    H    GLU  67           H        GLU  67  -9.041   1.582  10.598
  460    HA   GLU  67           HA       GLU  67  -8.997   3.656   8.542
  461   1HB   GLU  67          2HB       GLU  67  -7.939   0.831   8.675
  462   2HB   GLU  67          1HB       GLU  67  -7.823   1.811   7.209
  463   1HG   GLU  67          2HG       GLU  67  -5.769   1.995   8.565
  464   2HG   GLU  67          1HG       GLU  67  -6.602   3.546   8.462
  465    H    ILE  68           H        ILE  68 -10.555   0.509   8.963
  466    HA   ILE  68           HA       ILE  68 -11.683   0.113   6.448
  467    HB   ILE  68           HB       ILE  68 -12.771  -0.428   9.212
  468   1HG1  ILE  68          2HG1      ILE  68 -12.303  -2.732   8.629
  469   2HG1  ILE  68          1HG1      ILE  68 -12.008  -2.301   6.952
  470   1HG2  ILE  68          1HG2      ILE  68 -14.795  -0.120   7.992
  471   2HG2  ILE  68          2HG2      ILE  68 -14.513  -1.861   7.973
  472   3HG2  ILE  68          3HG2      ILE  68 -14.134  -0.893   6.551
  473   1HD1  ILE  68          1HD1      ILE  68  -9.920  -2.681   8.326
  474   2HD1  ILE  68          2HD1      ILE  68 -10.343  -1.241   9.246
  475   3HD1  ILE  68          3HD1      ILE  68  -9.992  -1.115   7.522
  476    H    GLY  69           H        GLY  69 -12.431   2.588   8.775
  477   1HA   GLY  69          2HA       GLY  69 -14.951   3.386   7.524
  478   2HA   GLY  69          1HA       GLY  69 -14.068   4.315   8.725
  479    H    MET  70           H        MET  70 -11.873   5.227   7.823
  480    HA   MET  70           HA       MET  70 -12.369   7.092   5.782
  481   1HB   MET  70          2HB       MET  70  -9.734   5.773   6.536
  482   2HB   MET  70          1HB       MET  70  -9.878   7.215   5.526
  483   1HG   MET  70          2HG       MET  70  -9.487   8.085   7.685
  484   2HG   MET  70          1HG       MET  70 -11.234   8.213   7.497
  485   1HE   MET  70          1HE       MET  70  -8.802   5.349  10.120
  486   2HE   MET  70          2HE       MET  70  -8.431   7.041   9.808
  487   3HE   MET  70          3HE       MET  70  -8.384   5.885   8.483
  488    H    LEU  71           H        LEU  71 -11.124   3.782   5.527
  489    HA   LEU  71           HA       LEU  71 -10.500   3.754   2.763
  490   1HB   LEU  71          2HB       LEU  71 -11.390   1.703   4.765
  491   2HB   LEU  71          1HB       LEU  71 -11.387   1.238   3.070
  492    HG   LEU  71           HG       LEU  71  -8.951   2.578   4.247
  493   1HD1  LEU  71          1HD1      LEU  71  -9.652  -0.365   4.470
  494   2HD1  LEU  71          2HD1      LEU  71  -9.411   0.762   5.808
  495   3HD1  LEU  71          3HD1      LEU  71  -8.052   0.310   4.779
  496   1HD2  LEU  71          1HD2      LEU  71  -9.433   1.945   1.715
  497   2HD2  LEU  71          2HD2      LEU  71  -8.984   0.327   2.245
  498   3HD2  LEU  71          3HD2      LEU  71  -7.840   1.650   2.406
  499    H    GLU  72           H        GLU  72 -13.521   3.975   4.421
  500    HA   GLU  72           HA       GLU  72 -15.110   3.238   2.037
  501   1HB   GLU  72          2HB       GLU  72 -15.717   2.655   4.475
  502   2HB   GLU  72          1HB       GLU  72 -16.125   4.359   4.670
  503   1HG   GLU  72          2HG       GLU  72 -17.832   4.215   2.962
  504   2HG   GLU  72          1HG       GLU  72 -17.301   2.600   2.496
  505    H    CYS  73           H        CYS  73 -13.292   5.783   2.613
  506    HA   CYS  73           HA       CYS  73 -15.298   7.785   1.614
  507   1HB   CYS  73          2HB       CYS  73 -13.703   7.816   3.997
  508   2HB   CYS  73          1HB       CYS  73 -13.073   9.072   2.942
  509    HG   CYS  73           HG       CYS  73 -15.047  10.429   3.532
  510    H    VAL  74           H        VAL  74 -13.483   6.000   0.072
  511    HA   VAL  74           HA       VAL  74 -11.522   7.948  -1.065
  512    HB   VAL  74           HB       VAL  74 -11.460   5.372  -2.393
  513   1HG1  VAL  74          1HG1      VAL  74  -9.540   6.550  -0.388
  514   2HG1  VAL  74          2HG1      VAL  74  -9.580   6.979  -2.099
  515   3HG1  VAL  74          3HG1      VAL  74  -9.193   5.331  -1.608
  516   1HG2  VAL  74          1HG2      VAL  74 -11.401   5.287   0.632
  517   2HG2  VAL  74          2HG2      VAL  74 -10.879   3.977  -0.428
  518   3HG2  VAL  74          3HG2      VAL  74 -12.572   4.488  -0.405
  519    H    THR  75           H        THR  75 -11.354   7.680  -3.585
  520    HA   THR  75           HA       THR  75 -14.122   7.988  -4.703
  521    HB   THR  75           HB       THR  75 -11.574   8.989  -6.004
  522    HG1  THR  75           1HG      THR  75 -13.189  10.611  -4.378
  523   1HG2  THR  75          1HG2      THR  75 -14.504   9.774  -6.132
  524   2HG2  THR  75          2HG2      THR  75 -13.538   9.047  -7.410
  525   3HG2  THR  75          3HG2      THR  75 -13.205  10.695  -6.886
  526    H    ALA  76           H        ALA  76 -11.653   5.734  -4.604
  527    HA   ALA  76           HA       ALA  76 -12.094   4.850  -7.427
  528   1HB   ALA  76          1HB       ALA  76  -9.803   4.871  -7.240
  529   2HB   ALA  76          2HB       ALA  76 -10.063   3.285  -6.514
  530   3HB   ALA  76          3HB       ALA  76  -9.851   4.701  -5.487
  531    H    GLU  77           H        GLU  77 -12.176   2.421  -7.670
  532    HA   GLU  77           HA       GLU  77 -14.375   1.339  -6.314
  533   1HB   GLU  77          2HB       GLU  77 -14.152   0.040  -8.171
  534   2HB   GLU  77          1HB       GLU  77 -12.511   0.615  -8.388
  535   1HG   GLU  77          2HG       GLU  77 -11.602  -1.217  -7.135
  536   2HG   GLU  77          1HG       GLU  77 -13.188  -1.667  -6.494
  537    H    LEU  78           H        LEU  78 -14.341   0.972  -4.067
  538    HA   LEU  78           HA       LEU  78 -11.886   0.160  -2.745
  539   1HB   LEU  78          2HB       LEU  78 -14.029   1.336  -1.728
  540   2HB   LEU  78          1HB       LEU  78 -14.596  -0.317  -1.518
  541    HG   LEU  78           HG       LEU  78 -12.255  -0.765  -0.451
  542   1HD1  LEU  78          1HD1      LEU  78 -12.364   2.230  -0.509
  543   2HD1  LEU  78          2HD1      LEU  78 -11.017   1.174  -0.899
  544   3HD1  LEU  78          3HD1      LEU  78 -11.507   1.397   0.767
  545   1HD2  LEU  78          1HD2      LEU  78 -13.091  -0.104   1.744
  546   2HD2  LEU  78          2HD2      LEU  78 -14.422  -0.734   0.775
  547   3HD2  LEU  78          3HD2      LEU  78 -14.239   1.006   0.999
  548    H    LYS  79           H        LYS  79 -11.349  -1.759  -1.926
  549    HA   LYS  79           HA       LYS  79 -12.589  -4.136  -3.225
  550   1HB   LYS  79          2HB       LYS  79  -9.839  -3.243  -2.476
  551   2HB   LYS  79          1HB       LYS  79 -10.140  -4.975  -2.557
  552   1HG   LYS  79          2HG       LYS  79 -10.857  -3.104  -4.822
  553   2HG   LYS  79          1HG       LYS  79  -9.250  -3.801  -4.681
  554   1HD   LYS  79          2HD       LYS  79 -10.396  -6.087  -4.559
  555   2HD   LYS  79          1HD       LYS  79 -11.867  -5.268  -5.079
  556   1HE   LYS  79          2HE       LYS  79 -10.640  -6.216  -7.001
  557   2HE   LYS  79          1HE       LYS  79 -10.720  -4.455  -7.094
  558   1HZ   LYS  79          1HZ       LYS  79  -8.523  -4.237  -6.696
  559   2HZ   LYS  79          2HZ       LYS  79  -8.468  -5.790  -7.379
  560   3HZ   LYS  79          3HZ       LYS  79  -8.440  -5.602  -5.692
  561    HA   PRO  80           HA       PRO  80 -13.677  -5.710   0.771
  562   1HB   PRO  80          2HB       PRO  80 -12.559  -8.313   0.598
  563   2HB   PRO  80          1HB       PRO  80 -14.196  -7.848   0.098
  564   1HG   PRO  80          2HG       PRO  80 -11.756  -8.240  -1.546
  565   2HG   PRO  80          1HG       PRO  80 -13.458  -8.514  -1.957
  566   1HD   PRO  80          2HD       PRO  80 -12.072  -6.372  -2.900
  567   2HD   PRO  80          1HD       PRO  80 -13.814  -6.286  -2.548
  568    H    ASN  81           H        ASN  81 -10.432  -5.817  -0.416
  569    HA   ASN  81           HA       ASN  81  -9.372  -5.669   2.377
  570   1HB   ASN  81          2HB       ASN  81  -7.616  -7.118   1.881
  571   2HB   ASN  81          1HB       ASN  81  -8.917  -7.832   0.944
  572   1HD2  ASN  81          1HD2      ASN  81  -9.015  -6.591  -1.417
  573   2HD2  ASN  81          2HD2      ASN  81  -7.505  -6.517  -2.189
  574    H    SER  82           H        SER  82 -10.100  -3.350   0.729
  575    HA   SER  82           HA       SER  82  -7.871  -2.255  -0.617
  576   1HB   SER  82          2HB       SER  82 -10.201  -1.014   0.838
  577   2HB   SER  82          1HB       SER  82  -9.001  -0.052  -0.023
  578    HG   SER  82           HG       SER  82 -10.331  -0.461  -1.612
  579    H    ARG  83           H        ARG  83  -6.769  -0.175   0.391
  580    HA   ARG  83           HA       ARG  83  -6.323  -0.301   3.285
  581   1HB   ARG  83          2HB       ARG  83  -4.797  -2.017   1.546
  582   2HB   ARG  83          1HB       ARG  83  -3.689  -0.843   2.231
  583   1HG   ARG  83          2HG       ARG  83  -5.635  -2.391   3.974
  584   2HG   ARG  83          1HG       ARG  83  -4.073  -3.055   3.517
  585   1HD   ARG  83          2HD       ARG  83  -3.368  -0.518   4.440
  586   2HD   ARG  83          1HD       ARG  83  -4.690  -0.966   5.512
  587    HE   ARG  83           HE       ARG  83  -2.065  -2.075   5.595
  588   1HH1  ARG  83          1HH2      ARG  83  -5.410  -2.902   5.711
  589   2HH1  ARG  83          2HH2      ARG  83  -5.161  -4.292   6.716
  590   1HH2  ARG  83          1HH1      ARG  83  -1.720  -3.875   6.899
  591   2HH2  ARG  83          2HH1      ARG  83  -3.070  -4.842   7.384
  592    H    LEU  84           H        LEU  84  -4.753   1.224   4.076
  593    HA   LEU  84           HA       LEU  84  -4.320   3.540   2.231
  594   1HB   LEU  84          2HB       LEU  84  -4.256   3.486   5.271
  595   2HB   LEU  84          1HB       LEU  84  -4.286   4.914   4.242
  596    HG   LEU  84           HG       LEU  84  -6.500   2.857   4.493
  597   1HD1  LEU  84          1HD1      LEU  84  -6.135   4.523   6.385
  598   2HD1  LEU  84          2HD1      LEU  84  -7.727   4.577   5.632
  599   3HD1  LEU  84          3HD1      LEU  84  -6.514   5.794   5.225
  600   1HD2  LEU  84          1HD2      LEU  84  -6.625   3.628   2.254
  601   2HD2  LEU  84          2HD2      LEU  84  -6.112   5.256   2.694
  602   3HD2  LEU  84          3HD2      LEU  84  -7.728   4.695   3.118
  603    H    CYS  85           H        CYS  85  -2.372   2.881   1.328
  604    HA   CYS  85           HA       CYS  85  -0.296   1.450   2.316
  605   1HB   CYS  85          2HB       CYS  85  -0.635   3.154   0.139
  606   2HB   CYS  85          1HB       CYS  85   0.799   3.795   0.936
  607    HG   CYS  85           HG       CYS  85   1.398   1.801  -0.758
  608    H    CYS  86           H        CYS  86  -0.626   4.966   3.080
  609    HA   CYS  86           HA       CYS  86   1.870   5.126   4.422
  610   1HB   CYS  86          2HB       CYS  86   1.129   7.154   5.369
  611   2HB   CYS  86          1HB       CYS  86   0.281   7.042   3.829
  612    H    GLN  87           H        GLN  87  -0.435   2.956   5.236
  613    HA   GLN  87           HA       GLN  87   0.394   3.024   8.118
  614   1HB   GLN  87          2HB       GLN  87  -2.389   2.840   6.973
  615   2HB   GLN  87          1HB       GLN  87  -2.024   2.199   8.579
  616   1HG   GLN  87          2HG       GLN  87  -1.623   4.297   9.492
  617   2HG   GLN  87          1HG       GLN  87  -1.086   4.984   7.959
  618   1HE2  GLN  87          1HE2      GLN  87  -4.143   3.462   9.167
  619   2HE2  GLN  87          2HE2      GLN  87  -5.155   4.663   8.522
  620    H    ILE  88           H        ILE  88   1.623   1.341   6.238
  621    HA   ILE  88           HA       ILE  88   0.667  -1.319   7.225
  622    HB   ILE  88           HB       ILE  88   1.828  -1.035   4.445
  623   1HG1  ILE  88          2HG1      ILE  88  -1.053  -0.694   5.323
  624   2HG1  ILE  88          1HG1      ILE  88  -0.076   0.451   4.415
  625   1HG2  ILE  88          1HG2      ILE  88   1.553  -3.248   5.759
  626   2HG2  ILE  88          2HG2      ILE  88   0.893  -3.188   4.121
  627   3HG2  ILE  88          3HG2      ILE  88  -0.179  -3.018   5.514
  628   1HD1  ILE  88          1HD1      ILE  88   0.139  -1.387   2.636
  629   2HD1  ILE  88          2HD1      ILE  88  -1.439  -0.616   2.782
  630   3HD1  ILE  88          3HD1      ILE  88  -1.166  -2.212   3.487
  631    H    ILE  89           H        ILE  89   2.429  -2.898   7.420
  632    HA   ILE  89           HA       ILE  89   5.174  -1.670   7.470
  633    HB   ILE  89           HB       ILE  89   3.889  -3.475   9.548
  634   1HG1  ILE  89          2HG1      ILE  89   3.201  -1.134   9.766
  635   2HG1  ILE  89          1HG1      ILE  89   4.291  -1.568  11.080
  636   1HG2  ILE  89          1HG2      ILE  89   6.120  -3.045  10.746
  637   2HG2  ILE  89          2HG2      ILE  89   6.735  -2.533   9.174
  638   3HG2  ILE  89          3HG2      ILE  89   6.152  -4.180   9.400
  639   1HD1  ILE  89          1HD1      ILE  89   5.252   0.432  10.463
  640   2HD1  ILE  89          2HD1      ILE  89   4.722   0.298   8.792
  641   3HD1  ILE  89          3HD1      ILE  89   6.121  -0.614   9.341
  642    H    MET  90           H        MET  90   6.611  -2.869   6.310
  643    HA   MET  90           HA       MET  90   5.782  -5.568   5.440
  644   1HB   MET  90          2HB       MET  90   6.941  -3.582   4.042
  645   2HB   MET  90          1HB       MET  90   8.403  -4.399   4.592
  646   1HG   MET  90          2HG       MET  90   7.674  -5.298   2.422
  647   2HG   MET  90          1HG       MET  90   7.535  -6.534   3.670
  648   1HE   MET  90          1HE       MET  90   5.818  -8.046   2.458
  649   2HE   MET  90          2HE       MET  90   4.189  -7.815   3.085
  650   3HE   MET  90          3HE       MET  90   5.565  -7.783   4.191
  651    H    THR  91           H        THR  91   7.371  -7.321   5.447
  652    HA   THR  91           HA       THR  91   9.471  -7.192   7.502
  653    HB   THR  91           HB       THR  91   8.569  -9.141   8.738
  654    HG1  THR  91           1HG      THR  91   6.048  -9.052   7.957
  655   1HG2  THR  91          1HG2      THR  91   8.009  -6.744   9.365
  656   2HG2  THR  91          2HG2      THR  91   6.904  -7.974   9.977
  657   3HG2  THR  91          3HG2      THR  91   6.449  -6.998   8.588
  658    HA   PRO  92           HA       PRO  92  11.387  -9.809   4.519
  659   1HB   PRO  92          2HB       PRO  92  12.808 -11.540   6.210
  660   2HB   PRO  92          1HB       PRO  92  13.371  -9.955   5.658
  661   1HG   PRO  92          2HG       PRO  92  12.102 -10.723   8.241
  662   2HG   PRO  92          1HG       PRO  92  13.386  -9.543   7.924
  663   1HD   PRO  92          2HD       PRO  92  10.851  -8.771   8.413
  664   2HD   PRO  92          1HD       PRO  92  11.880  -7.882   7.265
  665    H    GLU  93           H        GLU  93   9.638 -11.343   7.191
  666    HA   GLU  93           HA       GLU  93   9.511 -13.956   5.995
  667   1HB   GLU  93          2HB       GLU  93   7.668 -14.343   7.607
  668   2HB   GLU  93          1HB       GLU  93   9.074 -13.614   8.379
  669   1HG   GLU  93          2HG       GLU  93   7.989 -11.370   8.100
  670   2HG   GLU  93          1HG       GLU  93   6.547 -12.194   7.503
  671    H    LEU  94           H        LEU  94   7.555 -11.043   5.632
  672    HA   LEU  94           HA       LEU  94   5.603 -12.546   3.964
  673   1HB   LEU  94          2HB       LEU  94   5.570  -9.942   5.404
  674   2HB   LEU  94          1HB       LEU  94   4.699  -9.939   3.890
  675    HG   LEU  94           HG       LEU  94   4.274 -12.087   5.969
  676   1HD1  LEU  94          1HD1      LEU  94   2.489 -10.869   6.918
  677   2HD1  LEU  94          2HD1      LEU  94   2.442  -9.718   5.581
  678   3HD1  LEU  94          3HD1      LEU  94   3.760  -9.661   6.760
  679   1HD2  LEU  94          1HD2      LEU  94   2.161 -11.205   4.051
  680   2HD2  LEU  94          2HD2      LEU  94   2.553 -12.819   4.632
  681   3HD2  LEU  94          3HD2      LEU  94   3.517 -12.081   3.360
  682    H    ASP  95           H        ASP  95   8.348 -12.139   3.054
  683    HA   ASP  95           HA       ASP  95   8.532 -10.032   1.150
  684   1HB   ASP  95          2HB       ASP  95  10.358 -11.307   0.169
  685   2HB   ASP  95          1HB       ASP  95  10.441 -11.456   1.925
  686    H    GLY  96           H        GLY  96   7.846  -9.849  -0.957
  687   1HA   GLY  96          2HA       GLY  96   7.212 -10.872  -3.107
  688   2HA   GLY  96          1HA       GLY  96   6.446 -12.184  -2.220
  689    H    ILE  97           H        ILE  97   5.818  -9.184  -0.768
  690    HA   ILE  97           HA       ILE  97   3.015  -9.392  -1.265
  691    HB   ILE  97           HB       ILE  97   4.045  -8.316   0.693
  692   1HG1  ILE  97          2HG1      ILE  97   1.690  -7.893  -0.032
  693   2HG1  ILE  97          1HG1      ILE  97   2.368  -6.656   0.999
  694   1HG2  ILE  97          1HG2      ILE  97   5.835  -7.134  -0.408
  695   2HG2  ILE  97          2HG2      ILE  97   4.844  -5.994   0.487
  696   3HG2  ILE  97          3HG2      ILE  97   4.691  -6.090  -1.238
  697   1HD1  ILE  97          1HD1      ILE  97   2.919  -5.681  -1.519
  698   2HD1  ILE  97          2HD1      ILE  97   1.515  -5.265  -0.542
  699   3HD1  ILE  97          3HD1      ILE  97   1.396  -6.528  -1.759
  700    H    VAL  98           H        VAL  98   1.755  -8.697  -2.907
  701    HA   VAL  98           HA       VAL  98   2.998  -6.948  -5.001
  702    HB   VAL  98           HB       VAL  98   0.473  -8.575  -5.266
  703   1HG1  VAL  98          1HG1      VAL  98   0.867  -6.915  -7.011
  704   2HG1  VAL  98          2HG1      VAL  98   1.152  -8.523  -7.669
  705   3HG1  VAL  98          3HG1      VAL  98   2.516  -7.497  -7.230
  706   1HG2  VAL  98          1HG2      VAL  98   3.358  -9.426  -5.626
  707   2HG2  VAL  98          2HG2      VAL  98   2.005 -10.298  -6.345
  708   3HG2  VAL  98          3HG2      VAL  98   2.139 -10.175  -4.595
  709    H    VAL  99           H        VAL  99   2.333  -4.799  -4.922
  710    HA   VAL  99           HA       VAL  99  -0.269  -4.160  -3.640
  711    HB   VAL  99           HB       VAL  99   1.729  -2.106  -4.593
  712   1HG1  VAL  99          1HG1      VAL  99   0.907  -0.943  -2.541
  713   2HG1  VAL  99          2HG1      VAL  99  -0.147  -2.320  -2.218
  714   3HG1  VAL  99          3HG1      VAL  99  -0.392  -1.344  -3.666
  715   1HG2  VAL  99          1HG2      VAL  99   3.029  -2.264  -2.569
  716   2HG2  VAL  99          2HG2      VAL  99   3.047  -3.846  -3.337
  717   3HG2  VAL  99          3HG2      VAL  99   2.005  -3.549  -1.950
  718    H    ASP 100           H        ASP 100  -1.913  -3.400  -4.858
  719    HA   ASP 100           HA       ASP 100  -1.424  -2.877  -7.764
  720   1HB   ASP 100          2HB       ASP 100  -3.589  -4.153  -6.214
  721   2HB   ASP 100          1HB       ASP 100  -4.155  -3.071  -7.494
  722    H    VAL 101           H        VAL 101  -1.253  -0.827  -8.235
  723    HA   VAL 101           HA       VAL 101  -2.554   1.239  -6.547
  724    HB   VAL 101           HB       VAL 101  -0.446   1.603  -8.683
  725   1HG1  VAL 101          1HG1      VAL 101  -0.028   3.706  -7.404
  726   2HG1  VAL 101          2HG1      VAL 101  -1.416   3.325  -6.383
  727   3HG1  VAL 101          3HG1      VAL 101  -1.646   3.644  -8.104
  728   1HG2  VAL 101          1HG2      VAL 101   1.122   1.733  -6.707
  729   2HG2  VAL 101          2HG2      VAL 101   0.470   0.121  -7.003
  730   3HG2  VAL 101          3HG2      VAL 101  -0.187   1.112  -5.697
  731    HA   PRO 102           HA       PRO 102  -5.265   1.690 -10.182
  732   1HB   PRO 102          2HB       PRO 102  -7.117   3.336  -9.120
  733   2HB   PRO 102          1HB       PRO 102  -6.991   1.648  -8.616
  734   1HG   PRO 102          2HG       PRO 102  -5.980   4.081  -7.252
  735   2HG   PRO 102          1HG       PRO 102  -6.791   2.651  -6.574
  736   1HD   PRO 102          2HD       PRO 102  -4.045   3.039  -6.521
  737   2HD   PRO 102          1HD       PRO 102  -4.835   1.447  -6.439
  738    H    ASP 103           H        ASP 103  -6.321   3.655 -11.293
  739    HA   ASP 103           HA       ASP 103  -4.241   5.679 -11.757
  740   1HB   ASP 103          2HB       ASP 103  -5.533   4.587 -13.622
  741   2HB   ASP 103          1HB       ASP 103  -6.970   5.427 -13.037
  742    H    ARG 104           H        ARG 104  -7.047   5.327  -9.863
  743    HA   ARG 104           HA       ARG 104  -7.265   8.285  -9.438
  744   1HB   ARG 104          2HB       ARG 104  -9.667   7.124  -8.527
  745   2HB   ARG 104          1HB       ARG 104  -9.452   7.994 -10.041
  746   1HG   ARG 104          2HG       ARG 104  -8.676   5.686 -11.004
  747   2HG   ARG 104          1HG       ARG 104  -9.405   5.003  -9.554
  748   1HD   ARG 104          2HD       ARG 104 -11.513   5.288 -10.400
  749   2HD   ARG 104          1HD       ARG 104 -11.154   6.896 -11.022
  750    HE   ARG 104           HE       ARG 104  -9.741   5.044 -12.635
  751   1HH1  ARG 104          1HH2      ARG 104 -12.969   5.904 -11.771
  752   2HH1  ARG 104          2HH2      ARG 104 -13.650   5.401 -13.277
  753   1HH2  ARG 104          1HH1      ARG 104 -10.619   4.353 -14.603
  754   2HH2  ARG 104          2HH1      ARG 104 -12.320   4.525 -14.881
  755    H    GLN 105           H        GLN 105  -5.653   8.180  -7.793
  756    HA   GLN 105           HA       GLN 105  -6.059   6.387  -5.509
  757   1HB   GLN 105          2HB       GLN 105  -4.032   7.467  -4.616
  758   2HB   GLN 105          1HB       GLN 105  -3.775   6.931  -6.275
  759   1HG   GLN 105          2HG       GLN 105  -4.507   9.317  -6.953
  760   2HG   GLN 105          1HG       GLN 105  -4.247   9.739  -5.261
  761   1HE2  GLN 105          1HE2      GLN 105  -2.572   8.321  -8.103
  762   2HE2  GLN 105          2HE2      GLN 105  -1.016   8.796  -7.619
  763    H    TRP 106           H        TRP 106  -6.670   9.689  -6.401
  764    HA   TRP 106           HA       TRP 106  -7.555  11.510  -5.210
  765   1HB   TRP 106          2HB       TRP 106  -9.524  10.183  -5.693
  766   2HB   TRP 106          1HB       TRP 106  -9.223   9.161  -4.289
  767    HD1  TRP 106           HD       TRP 106 -10.595   9.766  -2.293
  768    HE1  TRP 106           1HE      TRP 106 -11.747  11.919  -1.398
  769    HE3  TRP 106           3HE      TRP 106  -9.073  13.145  -5.811
  770    HZ2  TRP 106           2HZ      TRP 106 -11.937  14.668  -2.052
  771    HZ3  TRP 106           3HZ      TRP 106  -9.744  15.521  -5.644
  772    HH2  TRP 106           HH       TRP 106 -11.174  16.288  -3.766
  Start of MODEL    5
    1   1H    SER   1          1HT       SER   1  12.954  -6.594   1.972
    2   2H    SER   1          2HT       SER   1  12.410  -7.168   3.476
    3   3H    SER   1          3HT       SER   1  11.574  -5.917   2.686
    4    HA   SER   1           HA       SER   1  11.749  -8.764   1.878
    5   1HB   SER   1          2HB       SER   1   9.670  -8.911   2.807
    6   2HB   SER   1          1HB       SER   1   9.951  -7.323   3.491
    7    HG   SER   1           HG       SER   1   9.191  -6.545   1.351
    8    H    LYS   2           H        LYS   2  10.356  -9.152  -0.121
    9    HA   LYS   2           HA       LYS   2  11.147  -7.210  -2.178
   10   1HB   LYS   2          2HB       LYS   2   9.984  -9.968  -2.086
   11   2HB   LYS   2          1HB       LYS   2   9.666  -9.017  -3.531
   12   1HG   LYS   2          2HG       LYS   2  12.484  -9.173  -2.469
   13   2HG   LYS   2          1HG       LYS   2  11.842 -10.540  -3.373
   14   1HD   LYS   2          2HD       LYS   2  11.553  -7.763  -4.515
   15   2HD   LYS   2          1HD       LYS   2  13.103  -8.592  -4.642
   16   1HE   LYS   2          2HE       LYS   2  10.511  -9.893  -5.507
   17   2HE   LYS   2          1HE       LYS   2  11.492  -8.920  -6.603
   18   1HZ   LYS   2          1HZ       LYS   2  12.083 -11.515  -5.377
   19   2HZ   LYS   2          2HZ       LYS   2  13.378 -10.460  -5.692
   20   3HZ   LYS   2          3HZ       LYS   2  12.375 -10.973  -6.964
   21    H    VAL   3           H        VAL   3   9.883  -5.418  -2.341
   22    HA   VAL   3           HA       VAL   3   6.926  -5.706  -1.971
   23    HB   VAL   3           HB       VAL   3   8.792  -3.345  -1.734
   24   1HG1  VAL   3          1HG1      VAL   3   5.766  -3.452  -1.613
   25   2HG1  VAL   3          2HG1      VAL   3   6.754  -2.527  -2.752
   26   3HG1  VAL   3          3HG1      VAL   3   6.728  -2.090  -1.048
   27   1HG2  VAL   3          1HG2      VAL   3   7.715  -3.375   0.601
   28   2HG2  VAL   3          2HG2      VAL   3   8.863  -4.664   0.237
   29   3HG2  VAL   3          3HG2      VAL   3   7.138  -4.978   0.191
   30    H    VAL   4           H        VAL   4   5.984  -6.051  -3.926
   31    HA   VAL   4           HA       VAL   4   7.045  -4.605  -6.291
   32    HB   VAL   4           HB       VAL   4   5.038  -6.827  -6.084
   33   1HG1  VAL   4          1HG1      VAL   4   5.386  -7.005  -8.538
   34   2HG1  VAL   4          2HG1      VAL   4   6.375  -5.548  -8.473
   35   3HG1  VAL   4          3HG1      VAL   4   4.658  -5.467  -8.084
   36   1HG2  VAL   4          1HG2      VAL   4   6.973  -8.095  -7.188
   37   2HG2  VAL   4          2HG2      VAL   4   7.159  -7.704  -5.474
   38   3HG2  VAL   4          3HG2      VAL   4   7.986  -6.737  -6.695
   39    H    TYR   5           H        TYR   5   6.056  -2.901  -7.012
   40    HA   TYR   5           HA       TYR   5   3.320  -2.173  -6.090
   41   1HB   TYR   5          2HB       TYR   5   5.470  -0.437  -7.340
   42   2HB   TYR   5          1HB       TYR   5   3.881   0.119  -6.834
   43    HD1  TYR   5           1HD      TYR   5   7.259  -0.468  -5.781
   44    HD2  TYR   5           2HD      TYR   5   3.209  -0.272  -4.366
   45    HE1  TYR   5           1HE      TYR   5   8.077  -0.087  -3.481
   46    HE2  TYR   5           2HE      TYR   5   4.032   0.097  -2.062
   47    HH   TYR   5           HH       TYR   5   7.222   0.942  -1.346
   48    H    VAL   6           H        VAL   6   1.824  -2.807  -7.564
   49    HA   VAL   6           HA       VAL   6   2.575  -2.883 -10.451
   50    HB   VAL   6           HB       VAL   6   0.151  -4.000  -9.015
   51   1HG1  VAL   6          1HG1      VAL   6  -0.072  -5.265 -11.212
   52   2HG1  VAL   6          2HG1      VAL   6   1.121  -4.150 -11.873
   53   3HG1  VAL   6          3HG1      VAL   6  -0.430  -3.541 -11.293
   54   1HG2  VAL   6          1HG2      VAL   6   1.329  -6.191  -9.656
   55   2HG2  VAL   6          2HG2      VAL   6   2.054  -5.269  -8.336
   56   3HG2  VAL   6          3HG2      VAL   6   2.764  -5.206  -9.946
   57    H    SER   7           H        SER   7   1.999  -1.182 -11.638
   58    HA   SER   7           HA       SER   7   0.121   0.817 -10.590
   59   1HB   SER   7          2HB       SER   7   0.964   2.245 -12.214
   60   2HB   SER   7          1HB       SER   7   2.323   1.136 -12.061
   61    HG   SER   7           HG       SER   7   0.319   1.283 -14.043
   62    H    HIS   8           H        HIS   8  -0.907   1.569 -13.243
   63    HA   HIS   8           HA       HIS   8  -3.105  -0.411 -13.351
   64   1HB   HIS   8          2HB       HIS   8  -3.832   1.495 -15.174
   65   2HB   HIS   8          1HB       HIS   8  -4.181   1.615 -13.459
   66    HD1  HIS   8           1HD      HIS   8  -1.785   2.593 -12.143
   67    HD2  HIS   8           2HD      HIS   8  -2.727   3.877 -15.993
   68    HE1  HIS   8           1HE      HIS   8  -0.593   4.811 -12.476
   69    HE2  HIS   8           2HE      HIS   8  -1.153   5.594 -14.824
   70    H    ASP   9           H        ASP   9  -0.702   1.065 -15.549
   71    HA   ASP   9           HA       ASP   9  -1.543  -0.412 -17.837
   72   1HB   ASP   9          2HB       ASP   9   0.958   0.149 -18.540
   73   2HB   ASP   9          1HB       ASP   9  -0.242   1.433 -18.393
   74    H    GLY  10           H        GLY  10  -0.227  -1.699 -15.047
   75   1HA   GLY  10          2HA       GLY  10   0.273  -4.024 -14.804
   76   2HA   GLY  10          1HA       GLY  10   0.577  -4.132 -16.529
   77    H    THR  11           H        THR  11   2.183  -1.414 -15.479
   78    HA   THR  11           HA       THR  11   4.762  -2.731 -15.703
   79    HB   THR  11           HB       THR  11   4.171  -0.259 -16.311
   80    HG1  THR  11           1HG      THR  11   6.488  -0.256 -14.822
   81   1HG2  THR  11          1HG2      THR  11   3.327   0.135 -13.916
   82   2HG2  THR  11          2HG2      THR  11   4.383   1.370 -14.594
   83   3HG2  THR  11          3HG2      THR  11   5.025   0.189 -13.450
   84    H    ARG  12           H        ARG  12   6.056  -3.423 -14.085
   85    HA   ARG  12           HA       ARG  12   4.994  -3.261 -11.294
   86   1HB   ARG  12          2HB       ARG  12   7.093  -5.186 -12.308
   87   2HB   ARG  12          1HB       ARG  12   6.114  -5.294 -10.847
   88   1HG   ARG  12          2HG       ARG  12   4.229  -5.109 -12.979
   89   2HG   ARG  12          1HG       ARG  12   5.478  -6.193 -13.569
   90   1HD   ARG  12          2HD       ARG  12   4.949  -7.079 -10.917
   91   2HD   ARG  12          1HD       ARG  12   3.383  -6.731 -11.636
   92    HE   ARG  12           HE       ARG  12   3.788  -8.408 -13.298
   93   1HH1  ARG  12          1HH2      ARG  12   6.445  -7.921 -11.119
   94   2HH1  ARG  12          2HH2      ARG  12   7.246  -9.384 -11.558
   95   1HH2  ARG  12          1HH1      ARG  12   4.839 -10.331 -13.870
   96   2HH2  ARG  12          2HH1      ARG  12   6.341 -10.744 -13.112
   97    H    ARG  13           H        ARG  13   6.588  -3.218  -9.584
   98    HA   ARG  13           HA       ARG  13   9.245  -2.100 -10.190
   99   1HB   ARG  13          2HB       ARG  13   7.298  -0.270  -9.907
  100   2HB   ARG  13          1HB       ARG  13   7.602  -0.589  -8.204
  101   1HG   ARG  13          2HG       ARG  13  10.154  -0.293  -8.952
  102   2HG   ARG  13          1HG       ARG  13   9.415   0.637 -10.256
  103   1HD   ARG  13          2HD       ARG  13   8.066   1.640  -8.061
  104   2HD   ARG  13          1HD       ARG  13   9.654   1.297  -7.380
  105    HE   ARG  13           HE       ARG  13  10.604   2.938  -8.817
  106   1HH1  ARG  13          1HH2      ARG  13   7.258   2.316  -9.507
  107   2HH1  ARG  13          2HH2      ARG  13   7.048   3.774 -10.409
  108   1HH2  ARG  13          1HH1      ARG  13  10.328   4.834  -9.992
  109   2HH2  ARG  13          2HH1      ARG  13   8.783   5.199 -10.682
  110    H    GLU  14           H        GLU  14  10.427  -3.451  -8.951
  111    HA   GLU  14           HA       GLU  14   9.297  -4.454  -6.380
  112   1HB   GLU  14          2HB       GLU  14  11.870  -5.435  -7.612
  113   2HB   GLU  14          1HB       GLU  14  10.695  -6.315  -6.626
  114   1HG   GLU  14          2HG       GLU  14   9.053  -5.917  -8.598
  115   2HG   GLU  14          1HG       GLU  14  10.492  -5.511  -9.536
  116    H    LEU  15           H        LEU  15   9.969  -3.757  -4.551
  117    HA   LEU  15           HA       LEU  15  12.441  -2.102  -4.326
  118   1HB   LEU  15          2HB       LEU  15   9.681  -1.755  -3.600
  119   2HB   LEU  15          1HB       LEU  15  10.591  -1.867  -2.101
  120    HG   LEU  15           HG       LEU  15  10.263   0.407  -2.975
  121   1HD1  LEU  15          1HD1      LEU  15  12.380   1.200  -2.306
  122   2HD1  LEU  15          2HD1      LEU  15  13.188  -0.260  -2.883
  123   3HD1  LEU  15          3HD1      LEU  15  12.154  -0.324  -1.455
  124   1HD2  LEU  15          1HD2      LEU  15  10.839  -0.481  -5.448
  125   2HD2  LEU  15          2HD2      LEU  15  12.449   0.070  -4.982
  126   3HD2  LEU  15          3HD2      LEU  15  11.101   1.195  -4.978
  127    H    ASP  16           H        ASP  16  12.915  -2.008  -1.833
  128    HA   ASP  16           HA       ASP  16  12.926  -4.728  -0.637
  129   1HB   ASP  16          2HB       ASP  16  15.156  -4.319  -1.705
  130   2HB   ASP  16          1HB       ASP  16  15.314  -2.839  -0.764
  131    H    VAL  17           H        VAL  17  11.467  -4.169   0.979
  132    HA   VAL  17           HA       VAL  17  12.002  -1.706   2.603
  133    HB   VAL  17           HB       VAL  17   9.408  -3.305   2.390
  134   1HG1  VAL  17          1HG1      VAL  17   9.172  -1.904   4.226
  135   2HG1  VAL  17          2HG1      VAL  17   8.561  -0.876   2.940
  136   3HG1  VAL  17          3HG1      VAL  17  10.200  -0.644   3.538
  137   1HG2  VAL  17          1HG2      VAL  17   8.794  -1.352   0.804
  138   2HG2  VAL  17          2HG2      VAL  17   9.872  -2.591   0.159
  139   3HG2  VAL  17          3HG2      VAL  17  10.527  -1.060   0.689
  140    H    ALA  18           H        ALA  18  13.032  -2.219   4.426
  141    HA   ALA  18           HA       ALA  18  13.270  -4.908   5.424
  142   1HB   ALA  18          1HB       ALA  18  13.893  -2.340   6.895
  143   2HB   ALA  18          2HB       ALA  18  14.974  -3.090   5.717
  144   3HB   ALA  18          3HB       ALA  18  14.567  -3.938   7.210
  145    H    ASP  19           H        ASP  19  12.912  -5.219   7.899
  146    HA   ASP  19           HA       ASP  19  10.101  -5.307   8.364
  147   1HB   ASP  19          2HB       ASP  19  10.871  -5.969  10.709
  148   2HB   ASP  19          1HB       ASP  19  11.417  -6.993   9.385
  149    H    GLY  20           H        GLY  20   8.803  -4.032   9.503
  150   1HA   GLY  20          2HA       GLY  20   8.167  -2.294  11.032
  151   2HA   GLY  20          1HA       GLY  20   9.863  -1.887  11.225
  152    H    VAL  21           H        VAL  21   9.974  -1.866   8.065
  153    HA   VAL  21           HA       VAL  21   9.432   1.003   7.917
  154    HB   VAL  21           HB       VAL  21  10.372  -0.925   5.790
  155   1HG1  VAL  21          1HG1      VAL  21  10.489   2.085   5.960
  156   2HG1  VAL  21          2HG1      VAL  21   9.491   1.135   4.850
  157   3HG1  VAL  21          3HG1      VAL  21  11.245   1.109   4.700
  158   1HG2  VAL  21          1HG2      VAL  21  12.114   0.955   7.364
  159   2HG2  VAL  21          2HG2      VAL  21  12.597  -0.398   6.330
  160   3HG2  VAL  21          3HG2      VAL  21  11.821  -0.705   7.885
  161    H    SER  22           H        SER  22   7.764   1.950   6.730
  162    HA   SER  22           HA       SER  22   5.594   0.113   5.861
  163   1HB   SER  22          2HB       SER  22   4.153   2.008   5.949
  164   2HB   SER  22          1HB       SER  22   5.216   2.182   7.347
  165    HG   SER  22           HG       SER  22   6.208   3.820   6.404
  166    H    LEU  23           H        LEU  23   4.775   0.144   3.733
  167    HA   LEU  23           HA       LEU  23   6.594   0.369   1.621
  168   1HB   LEU  23          2HB       LEU  23   3.651   0.981   1.310
  169   2HB   LEU  23          1HB       LEU  23   4.732   0.226   0.144
  170    HG   LEU  23           HG       LEU  23   3.580  -0.960   2.665
  171   1HD1  LEU  23          1HD1      LEU  23   3.734  -1.881  -0.207
  172   2HD1  LEU  23          2HD1      LEU  23   2.306  -1.227   0.590
  173   3HD1  LEU  23          3HD1      LEU  23   2.971  -2.780   1.099
  174   1HD2  LEU  23          1HD2      LEU  23   5.087  -2.967   2.097
  175   2HD2  LEU  23          2HD2      LEU  23   5.874  -1.593   2.876
  176   3HD2  LEU  23          3HD2      LEU  23   6.035  -1.838   1.139
  177    H    MET  24           H        MET  24   4.607   2.855   3.097
  178    HA   MET  24           HA       MET  24   5.018   4.867   1.087
  179   1HB   MET  24          2HB       MET  24   3.223   5.296   2.522
  180   2HB   MET  24          1HB       MET  24   4.140   4.841   3.954
  181   1HG   MET  24          2HG       MET  24   4.996   7.242   2.355
  182   2HG   MET  24          1HG       MET  24   3.648   7.386   3.482
  183   1HE   MET  24          1HE       MET  24   6.456   9.052   5.508
  184   2HE   MET  24          2HE       MET  24   4.784   9.136   4.954
  185   3HE   MET  24          3HE       MET  24   6.094   9.159   3.780
  186    H    GLN  25           H        GLN  25   6.899   3.759   3.841
  187    HA   GLN  25           HA       GLN  25   8.675   6.047   3.901
  188   1HB   GLN  25          2HB       GLN  25   8.705   3.285   5.087
  189   2HB   GLN  25          1HB       GLN  25  10.175   4.257   5.137
  190   1HG   GLN  25          2HG       GLN  25   7.504   5.312   6.092
  191   2HG   GLN  25          1HG       GLN  25   8.604   4.443   7.158
  192   1HE2  GLN  25          1HE2      GLN  25   7.747   7.479   6.746
  193   2HE2  GLN  25          2HE2      GLN  25   9.238   8.285   6.846
  194    H    ALA  26           H        ALA  26   9.374   2.645   2.846
  195    HA   ALA  26           HA       ALA  26  11.792   3.331   1.503
  196   1HB   ALA  26          1HB       ALA  26   9.817   1.131   0.850
  197   2HB   ALA  26          2HB       ALA  26  11.124   1.015   2.030
  198   3HB   ALA  26          3HB       ALA  26  11.497   1.193   0.313
  199    H    ALA  27           H        ALA  27   8.459   3.733   0.498
  200    HA   ALA  27           HA       ALA  27   8.847   3.907  -2.301
  201   1HB   ALA  27          1HB       ALA  27   6.597   3.905  -1.759
  202   2HB   ALA  27          2HB       ALA  27   6.821   5.649  -1.878
  203   3HB   ALA  27          3HB       ALA  27   6.855   4.866  -0.306
  204    H    VAL  28           H        VAL  28   9.777   5.960   0.278
  205    HA   VAL  28           HA       VAL  28  10.091   8.362  -1.397
  206    HB   VAL  28           HB       VAL  28  10.932   7.806   1.458
  207   1HG1  VAL  28          1HG1      VAL  28  11.035  10.355   1.514
  208   2HG1  VAL  28          2HG1      VAL  28  10.982  10.305  -0.244
  209   3HG1  VAL  28          3HG1      VAL  28  12.327   9.558   0.620
  210   1HG2  VAL  28          1HG2      VAL  28   8.667   9.542   0.449
  211   2HG2  VAL  28          2HG2      VAL  28   8.958   8.991   2.104
  212   3HG2  VAL  28          3HG2      VAL  28   8.439   7.843   0.866
  213    H    SER  29           H        SER  29  11.976   5.662  -0.343
  214    HA   SER  29           HA       SER  29  14.569   6.903  -0.831
  215   1HB   SER  29          2HB       SER  29  15.179   5.099   0.416
  216   2HB   SER  29          1HB       SER  29  13.531   4.492   0.306
  217    HG   SER  29           HG       SER  29  15.769   3.643  -0.938
  218    H    ASN  30           H        ASN  30  12.191   5.127  -2.645
  219    HA   ASN  30           HA       ASN  30  14.027   5.026  -5.013
  220   1HB   ASN  30          2HB       ASN  30  11.667   3.333  -4.169
  221   2HB   ASN  30          1HB       ASN  30  12.288   3.331  -5.818
  222   1HD2  ASN  30          1HD2      ASN  30  13.770   3.265  -2.526
  223   2HD2  ASN  30          2HD2      ASN  30  14.839   1.992  -2.876
  224    H    GLY  31           H        GLY  31  11.642   6.815  -3.613
  225   1HA   GLY  31          2HA       GLY  31  10.199   8.463  -4.492
  226   2HA   GLY  31          1HA       GLY  31  11.094   8.313  -6.003
  227    H    ILE  32           H        ILE  32   8.473   6.870  -4.113
  228    HA   ILE  32           HA       ILE  32   7.286   5.836  -6.687
  229    HB   ILE  32           HB       ILE  32   7.087   4.606  -3.934
  230   1HG1  ILE  32          2HG1      ILE  32   8.556   3.617  -6.390
  231   2HG1  ILE  32          1HG1      ILE  32   9.341   4.433  -5.044
  232   1HG2  ILE  32          1HG2      ILE  32   6.096   2.703  -5.251
  233   2HG2  ILE  32          2HG2      ILE  32   6.056   3.773  -6.655
  234   3HG2  ILE  32          3HG2      ILE  32   5.097   4.155  -5.222
  235   1HD1  ILE  32          1HD1      ILE  32   8.621   1.656  -5.278
  236   2HD1  ILE  32          2HD1      ILE  32   7.741   2.350  -3.920
  237   3HD1  ILE  32          3HD1      ILE  32   9.494   2.455  -3.979
  238    H    TYR  33           H        TYR  33   6.214   6.413  -3.309
  239    HA   TYR  33           HA       TYR  33   3.619   7.395  -4.365
  240   1HB   TYR  33          2HB       TYR  33   4.587   6.488  -1.658
  241   2HB   TYR  33          1HB       TYR  33   3.128   7.472  -1.785
  242    HD1  TYR  33           1HD      TYR  33   1.484   6.678  -3.787
  243    HD2  TYR  33           2HD      TYR  33   4.288   4.164  -1.723
  244    HE1  TYR  33           1HE      TYR  33   0.189   4.677  -4.464
  245    HE2  TYR  33           2HE      TYR  33   2.990   2.165  -2.400
  246    HH   TYR  33           HH       TYR  33  -0.089   2.465  -4.115
  247    H    ASP  34           H        ASP  34   6.599   8.622  -3.305
  248    HA   ASP  34           HA       ASP  34   6.182  10.900  -1.848
  249   1HB   ASP  34          2HB       ASP  34   7.922  12.033  -3.272
  250   2HB   ASP  34          1HB       ASP  34   8.379  10.417  -2.735
  251    H    ILE  35           H        ILE  35   5.633  10.712  -5.353
  252    HA   ILE  35           HA       ILE  35   4.721  13.272  -5.920
  253    HB   ILE  35           HB       ILE  35   4.833  11.413  -7.579
  254   1HG1  ILE  35          2HG1      ILE  35   2.074  12.661  -7.508
  255   2HG1  ILE  35          1HG1      ILE  35   3.525  13.567  -7.934
  256   1HG2  ILE  35          1HG2      ILE  35   3.565   9.825  -5.961
  257   2HG2  ILE  35          2HG2      ILE  35   3.193   9.717  -7.682
  258   3HG2  ILE  35          3HG2      ILE  35   2.100  10.576  -6.597
  259   1HD1  ILE  35          1HD1      ILE  35   3.975  12.025  -9.782
  260   2HD1  ILE  35          2HD1      ILE  35   2.348  12.684  -9.944
  261   3HD1  ILE  35          3HD1      ILE  35   2.579  11.046  -9.329
  262    H    VAL  36           H        VAL  36   3.146  14.533  -5.058
  263    HA   VAL  36           HA       VAL  36   1.286  15.187  -3.801
  264    HB   VAL  36           HB       VAL  36   0.207  12.580  -4.922
  265   1HG1  VAL  36          1HG1      VAL  36  -1.088  14.843  -3.395
  266   2HG1  VAL  36          2HG1      VAL  36  -1.195  13.110  -3.088
  267   3HG1  VAL  36          3HG1      VAL  36  -2.018  13.808  -4.478
  268   1HG2  VAL  36          1HG2      VAL  36  -0.717  13.924  -6.666
  269   2HG2  VAL  36          2HG2      VAL  36   0.953  14.462  -6.503
  270   3HG2  VAL  36          3HG2      VAL  36  -0.355  15.420  -5.807
  271    H    GLY  37           H        GLY  37  -0.039  14.600  -1.861
  272   1HA   GLY  37          2HA       GLY  37   0.190  12.264  -0.329
  273   2HA   GLY  37          1HA       GLY  37   1.589  13.249   0.094
  274    H    ASP  38           H        ASP  38  -1.614  12.662   0.913
  275    HA   ASP  38           HA       ASP  38  -2.229  15.440   1.720
  276   1HB   ASP  38          2HB       ASP  38  -4.038  13.980   0.889
  277   2HB   ASP  38          1HB       ASP  38  -3.747  12.870   2.225
  278    H    CYS  39           H        CYS  39  -2.780  12.586   3.741
  279    HA   CYS  39           HA       CYS  39  -1.961  14.019   6.111
  280   1HB   CYS  39          2HB       CYS  39  -2.507  12.053   7.308
  281   2HB   CYS  39          1HB       CYS  39  -3.603  12.032   5.930
  282    H    GLY  40           H        GLY  40   0.012  13.361   3.754
  283   1HA   GLY  40          2HA       GLY  40   2.292  12.814   3.571
  284   2HA   GLY  40          1HA       GLY  40   2.402  13.362   5.247
  285    H    GLY  41           H        GLY  41   0.151  10.883   4.815
  286   1HA   GLY  41          2HA       GLY  41   0.313   8.528   5.046
  287   2HA   GLY  41          1HA       GLY  41   2.059   8.672   5.253
  288    H    SER  42           H        SER  42  -1.040   8.834   6.868
  289    HA   SER  42           HA       SER  42   0.219   8.251   9.433
  290   1HB   SER  42          2HB       SER  42   0.418  10.697   9.404
  291   2HB   SER  42          1HB       SER  42  -1.292  10.849   9.001
  292    HG   SER  42           HG       SER  42  -0.567   9.354  11.255
  293    H    ALA  43           H        ALA  43  -1.867   7.290   7.428
  294    HA   ALA  43           HA       ALA  43  -3.932   6.206   7.514
  295   1HB   ALA  43          1HB       ALA  43  -2.677   5.320   9.629
  296   2HB   ALA  43          2HB       ALA  43  -4.414   5.053   9.502
  297   3HB   ALA  43          3HB       ALA  43  -3.795   6.351  10.521
  298    H    SER  44           H        SER  44  -4.519   8.636   6.856
  299    HA   SER  44           HA       SER  44  -6.929   9.278   8.377
  300   1HB   SER  44          2HB       SER  44  -4.980  10.429   9.581
  301   2HB   SER  44          1HB       SER  44  -4.844  11.451   8.160
  302    HG   SER  44           HG       SER  44  -6.782  11.363  10.129
  303    H    CYS  45           H        CYS  45  -5.921   8.660   5.548
  304    HA   CYS  45           HA       CYS  45  -7.733  10.523   4.236
  305   1HB   CYS  45          2HB       CYS  45  -6.262  11.802   2.967
  306   2HB   CYS  45          1HB       CYS  45  -5.359  11.660   4.465
  307    H    ALA  46           H        ALA  46  -7.859  10.044   1.852
  308    HA   ALA  46           HA       ALA  46  -7.528   7.113   1.421
  309   1HB   ALA  46          1HB       ALA  46  -8.969   7.785  -0.674
  310   2HB   ALA  46          2HB       ALA  46  -9.264   9.265   0.230
  311   3HB   ALA  46          3HB       ALA  46  -9.736   7.705   0.907
  312    H    THR  47           H        THR  47  -5.694   9.770   0.959
  313    HA   THR  47           HA       THR  47  -4.977   9.883  -1.735
  314    HB   THR  47           HB       THR  47  -2.939   9.925   0.494
  315    HG1  THR  47           1HG      THR  47  -5.005  11.225   0.713
  316   1HG2  THR  47          1HG2      THR  47  -1.974  10.096  -1.708
  317   2HG2  THR  47          2HG2      THR  47  -1.963  11.706  -0.985
  318   3HG2  THR  47          3HG2      THR  47  -3.179  11.289  -2.196
  319    H    CYS  48           H        CYS  48  -3.517   7.714   0.736
  320    HA   CYS  48           HA       CYS  48  -2.138   6.212  -1.368
  321   1HB   CYS  48          2HB       CYS  48  -1.348   4.806   0.448
  322   2HB   CYS  48          1HB       CYS  48  -1.194   6.495   0.924
  323    H    HIS  49           H        HIS  49  -4.693   6.138  -2.131
  324    HA   HIS  49           HA       HIS  49  -6.165   3.839  -1.061
  325   1HB   HIS  49          2HB       HIS  49  -7.483   5.607  -2.049
  326   2HB   HIS  49          1HB       HIS  49  -6.467   5.642  -3.465
  327    HD1  HIS  49           1HD      HIS  49  -8.727   3.013  -1.778
  328    HD2  HIS  49           2HD      HIS  49  -7.627   4.379  -5.537
  329    HE1  HIS  49           1HE      HIS  49 -10.007   1.599  -3.490
  330    HE2  HIS  49           2HE      HIS  49  -9.331   2.441  -5.761
  331    H    VAL  50           H        VAL  50  -5.105   1.855  -1.398
  332    HA   VAL  50           HA       VAL  50  -4.516   1.160  -4.230
  333    HB   VAL  50           HB       VAL  50  -2.271   0.686  -3.956
  334   1HG1  VAL  50          1HG1      VAL  50  -2.628   3.096  -3.451
  335   2HG1  VAL  50          2HG1      VAL  50  -1.201   2.448  -2.641
  336   3HG1  VAL  50          3HG1      VAL  50  -2.684   2.707  -1.729
  337   1HG2  VAL  50          1HG2      VAL  50  -2.310  -0.978  -2.266
  338   2HG2  VAL  50          2HG2      VAL  50  -2.955   0.137  -1.059
  339   3HG2  VAL  50          3HG2      VAL  50  -1.280   0.287  -1.596
  340    H    TYR  51           H        TYR  51  -4.132  -1.177  -4.475
  341    HA   TYR  51           HA       TYR  51  -5.817  -2.732  -2.563
  342   1HB   TYR  51          2HB       TYR  51  -5.257  -3.101  -5.496
  343   2HB   TYR  51          1HB       TYR  51  -6.306  -4.121  -4.551
  344    HD1  TYR  51           1HD      TYR  51  -7.993  -2.421  -2.958
  345    HD2  TYR  51           2HD      TYR  51  -6.399  -1.627  -6.887
  346    HE1  TYR  51           1HE      TYR  51  -9.738  -0.727  -3.330
  347    HE2  TYR  51           2HE      TYR  51  -8.187   0.015  -7.251
  348    HH   TYR  51           HH       TYR  51 -10.209   0.724  -6.508
  349    H    VAL  52           H        VAL  52  -4.575  -3.852  -1.262
  350    HA   VAL  52           HA       VAL  52  -1.933  -4.885  -2.046
  351    HB   VAL  52           HB       VAL  52  -3.405  -5.413   0.537
  352   1HG1  VAL  52          1HG1      VAL  52  -0.437  -5.183   0.114
  353   2HG1  VAL  52          2HG1      VAL  52  -1.286  -6.703  -0.173
  354   3HG1  VAL  52          3HG1      VAL  52  -1.303  -5.983   1.432
  355   1HG2  VAL  52          1HG2      VAL  52  -1.733  -3.021  -0.261
  356   2HG2  VAL  52          2HG2      VAL  52  -1.949  -3.477   1.423
  357   3HG2  VAL  52          3HG2      VAL  52  -3.348  -3.026   0.444
  358    H    ASN  53           H        ASN  53  -1.615  -7.008  -2.762
  359    HA   ASN  53           HA       ASN  53  -3.697  -8.674  -3.558
  360   1HB   ASN  53          2HB       ASN  53  -1.491  -9.172  -4.273
  361   2HB   ASN  53          1HB       ASN  53  -0.905  -9.355  -2.627
  362   1HD2  ASN  53          1HD2      ASN  53  -0.227 -11.526  -3.840
  363   2HD2  ASN  53          2HD2      ASN  53  -1.331 -12.809  -3.691
  364    H    GLU  54           H        GLU  54  -5.224  -9.802  -2.470
  365    HA   GLU  54           HA       GLU  54  -5.545  -9.727   0.319
  366   1HB   GLU  54          2HB       GLU  54  -7.267 -11.440   0.008
  367   2HB   GLU  54          1HB       GLU  54  -7.356 -10.245  -1.282
  368   1HG   GLU  54          2HG       GLU  54  -5.947 -11.777  -2.698
  369   2HG   GLU  54          1HG       GLU  54  -6.088 -12.996  -1.429
  370    H    ALA  55           H        ALA  55  -2.930 -11.110  -0.881
  371    HA   ALA  55           HA       ALA  55  -3.066 -13.630   0.700
  372   1HB   ALA  55          1HB       ALA  55  -2.199 -13.968  -1.511
  373   2HB   ALA  55          2HB       ALA  55  -0.822 -14.048  -0.410
  374   3HB   ALA  55          3HB       ALA  55  -1.108 -12.591  -1.358
  375    H    PHE  56           H        PHE  56  -1.759 -10.391   0.811
  376    HA   PHE  56           HA       PHE  56   0.093 -11.149   3.056
  377   1HB   PHE  56          2HB       PHE  56  -0.024  -8.903   1.034
  378   2HB   PHE  56          1HB       PHE  56   1.073  -8.876   2.416
  379    HD1  PHE  56           1HD      PHE  56   0.143 -10.745  -0.659
  380    HD2  PHE  56           2HD      PHE  56   3.048 -10.212   2.424
  381    HE1  PHE  56           1HE      PHE  56   1.703 -12.246  -1.867
  382    HE2  PHE  56           2HE      PHE  56   4.607 -11.715   1.260
  383    HZ   PHE  56           HZ       PHE  56   3.939 -12.730  -0.916
  384    H    THR  57           H        THR  57  -2.856  -9.674   2.242
  385    HA   THR  57           HA       THR  57  -2.938  -7.523   4.163
  386    HB   THR  57           HB       THR  57  -5.474  -7.823   3.888
  387    HG1  THR  57           1HG      THR  57  -5.815  -9.813   3.232
  388   1HG2  THR  57          1HG2      THR  57  -4.150  -6.250   2.551
  389   2HG2  THR  57          2HG2      THR  57  -5.428  -6.981   1.583
  390   3HG2  THR  57          3HG2      THR  57  -3.764  -7.537   1.406
  391    H    ASP  58           H        ASP  58  -4.028 -10.893   4.230
  392    HA   ASP  58           HA       ASP  58  -4.992 -10.667   6.987
  393   1HB   ASP  58          2HB       ASP  58  -5.549 -13.028   6.773
  394   2HB   ASP  58          1HB       ASP  58  -6.045 -12.197   5.304
  395    H    LYS  59           H        LYS  59  -1.985 -10.660   5.800
  396    HA   LYS  59           HA       LYS  59  -0.861 -12.371   7.999
  397   1HB   LYS  59          2HB       LYS  59   0.658 -11.367   5.592
  398   2HB   LYS  59          1HB       LYS  59   1.031 -12.715   6.653
  399   1HG   LYS  59          2HG       LYS  59  -1.239 -13.709   5.810
  400   2HG   LYS  59          1HG       LYS  59  -1.061 -12.552   4.488
  401   1HD   LYS  59          2HD       LYS  59   0.001 -14.487   3.643
  402   2HD   LYS  59          1HD       LYS  59   1.356 -13.553   4.267
  403   1HE   LYS  59          2HE       LYS  59   1.417 -14.907   6.286
  404   2HE   LYS  59          1HE       LYS  59  -0.072 -15.731   5.826
  405   1HZ   LYS  59          1HZ       LYS  59   2.532 -16.420   5.168
  406   2HZ   LYS  59          2HZ       LYS  59   1.796 -15.894   3.727
  407   3HZ   LYS  59          3HZ       LYS  59   1.099 -17.154   4.630
  408    H    VAL  60           H        VAL  60  -0.669  -9.247   6.351
  409    HA   VAL  60           HA       VAL  60   1.281  -8.226   8.292
  410    HB   VAL  60           HB       VAL  60   0.447  -7.606   5.643
  411   1HG1  VAL  60          1HG1      VAL  60  -1.162  -5.981   6.840
  412   2HG1  VAL  60          2HG1      VAL  60  -0.209  -5.393   5.493
  413   3HG1  VAL  60          3HG1      VAL  60   0.276  -5.017   7.144
  414   1HG2  VAL  60          1HG2      VAL  60   2.334  -5.624   6.281
  415   2HG2  VAL  60          2HG2      VAL  60   2.669  -7.215   5.611
  416   3HG2  VAL  60          3HG2      VAL  60   2.733  -6.970   7.341
  417    HA   PRO  61           HA       PRO  61  -1.369  -6.807  11.416
  418   1HB   PRO  61          2HB       PRO  61  -0.723  -3.999  11.453
  419   2HB   PRO  61          1HB       PRO  61  -0.096  -5.283  12.499
  420   1HG   PRO  61          2HG       PRO  61   1.176  -3.972  10.224
  421   2HG   PRO  61          1HG       PRO  61   1.899  -4.993  11.470
  422   1HD   PRO  61          2HD       PRO  61   1.511  -5.745   8.814
  423   2HD   PRO  61          1HD       PRO  61   1.797  -6.869  10.131
  424    H    ALA  62           H        ALA  62  -3.306  -7.152  10.182
  425    HA   ALA  62           HA       ALA  62  -4.637  -5.284   8.532
  426   1HB   ALA  62          1HB       ALA  62  -6.719  -6.554   9.286
  427   2HB   ALA  62          2HB       ALA  62  -5.645  -7.517  10.304
  428   3HB   ALA  62          3HB       ALA  62  -5.451  -7.533   8.552
  429    H    ALA  63           H        ALA  63  -4.863  -3.231   9.262
  430    HA   ALA  63           HA       ALA  63  -5.079  -2.354  11.901
  431   1HB   ALA  63          1HB       ALA  63  -4.539  -0.752  10.282
  432   2HB   ALA  63          2HB       ALA  63  -6.193  -0.317  10.714
  433   3HB   ALA  63          3HB       ALA  63  -5.874  -1.225   9.236
  434    H    ASN  64           H        ASN  64  -6.774  -1.644  13.159
  435    HA   ASN  64           HA       ASN  64  -9.150  -3.232  13.218
  436   1HB   ASN  64          2HB       ASN  64  -9.976  -1.360  14.833
  437   2HB   ASN  64          1HB       ASN  64  -8.580  -2.328  15.302
  438   1HD2  ASN  64          1HD2      ASN  64  -6.403  -1.325  14.977
  439   2HD2  ASN  64          2HD2      ASN  64  -6.257   0.366  14.948
  440    H    GLU  65           H        GLU  65 -11.356  -1.714  13.537
  441    HA   GLU  65           HA       GLU  65 -12.111  -1.093  10.824
  442   1HB   GLU  65          2HB       GLU  65 -14.293  -0.552  11.753
  443   2HB   GLU  65          1HB       GLU  65 -13.677  -2.031  12.485
  444   1HG   GLU  65          2HG       GLU  65 -12.773  -0.560  14.375
  445   2HG   GLU  65          1HG       GLU  65 -13.750   0.741  13.696
  446    H    ARG  66           H        ARG  66 -10.294   0.853  12.804
  447    HA   ARG  66           HA       ARG  66 -11.716   3.355  12.380
  448   1HB   ARG  66          2HB       ARG  66  -8.913   2.663  13.268
  449   2HB   ARG  66          1HB       ARG  66  -9.387   4.326  12.962
  450   1HG   ARG  66          2HG       ARG  66 -11.328   3.973  14.549
  451   2HG   ARG  66          1HG       ARG  66 -10.618   2.418  14.966
  452   1HD   ARG  66          2HD       ARG  66  -8.607   4.529  15.149
  453   2HD   ARG  66          1HD       ARG  66 -10.010   4.911  16.144
  454    HE   ARG  66           HE       ARG  66  -8.799   2.201  16.392
  455   1HH1  ARG  66          1HH2      ARG  66  -9.506   5.339  17.715
  456   2HH1  ARG  66          2HH2      ARG  66  -9.048   4.894  19.319
  457   1HH2  ARG  66          1HH1      ARG  66  -8.194   1.648  18.493
  458   2HH2  ARG  66          2HH1      ARG  66  -8.313   2.830  19.760
  459    H    GLU  67           H        GLU  67  -8.929   1.792  10.834
  460    HA   GLU  67           HA       GLU  67  -8.508   3.806   8.846
  461   1HB   GLU  67          2HB       GLU  67  -7.804   0.876   9.041
  462   2HB   GLU  67          1HB       GLU  67  -7.407   1.823   7.610
  463   1HG   GLU  67          2HG       GLU  67  -5.540   1.747   9.275
  464   2HG   GLU  67          1HG       GLU  67  -6.100   3.384   8.941
  465    H    ILE  68           H        ILE  68 -10.782   1.198   9.165
  466    HA   ILE  68           HA       ILE  68 -11.507   1.007   6.382
  467    HB   ILE  68           HB       ILE  68 -12.907   0.217   8.941
  468   1HG1  ILE  68          2HG1      ILE  68 -12.455  -2.030   8.174
  469   2HG1  ILE  68          1HG1      ILE  68 -11.954  -1.443   6.591
  470   1HG2  ILE  68          1HG2      ILE  68 -13.944   0.108   6.103
  471   2HG2  ILE  68          2HG2      ILE  68 -14.747   0.773   7.521
  472   3HG2  ILE  68          3HG2      ILE  68 -14.544  -0.971   7.364
  473   1HD1  ILE  68          1HD1      ILE  68 -10.537  -0.610   9.123
  474   2HD1  ILE  68          2HD1      ILE  68  -9.963  -0.478   7.464
  475   3HD1  ILE  68          3HD1      ILE  68 -10.078  -2.059   8.229
  476    H    GLY  69           H        GLY  69 -12.566   3.050   9.050
  477   1HA   GLY  69          2HA       GLY  69 -14.875   4.179   7.831
  478   2HA   GLY  69          1HA       GLY  69 -13.901   4.994   9.048
  479    H    MET  70           H        MET  70 -11.500   4.724   7.155
  480    HA   MET  70           HA       MET  70 -12.090   7.215   5.625
  481   1HB   MET  70          2HB       MET  70  -9.395   6.030   5.262
  482   2HB   MET  70          1HB       MET  70  -9.840   7.655   5.780
  483   1HG   MET  70          2HG       MET  70  -9.813   5.187   7.530
  484   2HG   MET  70          1HG       MET  70  -8.621   6.479   7.553
  485   1HE   MET  70          1HE       MET  70  -9.236   5.773   9.874
  486   2HE   MET  70          2HE       MET  70 -10.615   6.355  10.808
  487   3HE   MET  70          3HE       MET  70  -9.275   7.445  10.464
  488    H    LEU  71           H        LEU  71 -11.459   3.797   5.163
  489    HA   LEU  71           HA       LEU  71 -11.119   3.892   2.291
  490   1HB   LEU  71          2HB       LEU  71 -11.965   1.730   4.225
  491   2HB   LEU  71          1HB       LEU  71 -11.877   1.437   2.504
  492    HG   LEU  71           HG       LEU  71  -9.560   2.469   4.163
  493   1HD1  LEU  71          1HD1      LEU  71  -8.741   0.298   4.372
  494   2HD1  LEU  71          2HD1      LEU  71  -9.681  -0.309   3.005
  495   3HD1  LEU  71          3HD1      LEU  71 -10.467   0.013   4.550
  496   1HD2  LEU  71          1HD2      LEU  71  -8.404   1.423   1.959
  497   2HD2  LEU  71          2HD2      LEU  71  -8.970   3.088   2.002
  498   3HD2  LEU  71          3HD2      LEU  71  -9.961   1.843   1.252
  499    H    GLU  72           H        GLU  72 -13.828   4.089   4.446
  500    HA   GLU  72           HA       GLU  72 -15.819   3.417   2.410
  501   1HB   GLU  72          2HB       GLU  72 -16.217   3.031   4.834
  502   2HB   GLU  72          1HB       GLU  72 -16.116   4.768   5.121
  503   1HG   GLU  72          2HG       GLU  72 -18.118   5.194   3.922
  504   2HG   GLU  72          1HG       GLU  72 -18.082   3.616   3.134
  505    H    CYS  73           H        CYS  73 -13.760   5.940   2.793
  506    HA   CYS  73           HA       CYS  73 -15.666   7.948   1.625
  507   1HB   CYS  73          2HB       CYS  73 -14.024   8.074   3.976
  508   2HB   CYS  73          1HB       CYS  73 -13.331   9.196   2.810
  509    HG   CYS  73           HG       CYS  73 -15.304  10.686   3.063
  510    H    VAL  74           H        VAL  74 -14.014   5.965   0.112
  511    HA   VAL  74           HA       VAL  74 -11.880   7.646  -1.078
  512    HB   VAL  74           HB       VAL  74 -11.401   5.603  -2.389
  513   1HG1  VAL  74          1HG1      VAL  74 -10.830   4.182  -0.306
  514   2HG1  VAL  74          2HG1      VAL  74 -11.561   5.491   0.620
  515   3HG1  VAL  74          3HG1      VAL  74 -10.158   5.808  -0.400
  516   1HG2  VAL  74          1HG2      VAL  74 -14.059   4.908  -1.778
  517   2HG2  VAL  74          2HG2      VAL  74 -13.115   3.850  -0.749
  518   3HG2  VAL  74          3HG2      VAL  74 -12.859   3.840  -2.490
  519    H    THR  75           H        THR  75 -11.780   7.688  -3.517
  520    HA   THR  75           HA       THR  75 -14.501   8.170  -4.668
  521    HB   THR  75           HB       THR  75 -11.882   8.997  -5.936
  522    HG1  THR  75           1HG      THR  75 -12.079  10.928  -4.753
  523   1HG2  THR  75          1HG2      THR  75 -14.676  10.180  -5.941
  524   2HG2  THR  75          2HG2      THR  75 -13.967   9.217  -7.237
  525   3HG2  THR  75          3HG2      THR  75 -13.292  10.797  -6.841
  526    H    ALA  76           H        ALA  76 -12.088   5.785  -4.663
  527    HA   ALA  76           HA       ALA  76 -12.673   4.962  -7.484
  528   1HB   ALA  76          1HB       ALA  76 -10.361   4.999  -7.292
  529   2HB   ALA  76          2HB       ALA  76 -10.664   3.340  -6.785
  530   3HB   ALA  76          3HB       ALA  76 -10.397   4.596  -5.577
  531    H    GLU  77           H        GLU  77 -12.719   2.501  -7.747
  532    HA   GLU  77           HA       GLU  77 -14.890   1.378  -6.323
  533   1HB   GLU  77          2HB       GLU  77 -14.761   0.106  -8.210
  534   2HB   GLU  77          1HB       GLU  77 -13.153   0.728  -8.521
  535   1HG   GLU  77          2HG       GLU  77 -12.114  -1.097  -7.367
  536   2HG   GLU  77          1HG       GLU  77 -13.644  -1.610  -6.648
  537    H    LEU  78           H        LEU  78 -14.724   0.941  -4.098
  538    HA   LEU  78           HA       LEU  78 -12.183   0.191  -2.921
  539   1HB   LEU  78          2HB       LEU  78 -14.360   1.253  -1.811
  540   2HB   LEU  78          1HB       LEU  78 -14.790  -0.438  -1.554
  541    HG   LEU  78           HG       LEU  78 -12.442  -0.737  -0.557
  542   1HD1  LEU  78          1HD1      LEU  78 -12.110   2.005   0.269
  543   2HD1  LEU  78          2HD1      LEU  78 -12.147   1.934  -1.474
  544   3HD1  LEU  78          3HD1      LEU  78 -11.002   0.964  -0.595
  545   1HD2  LEU  78          1HD2      LEU  78 -14.713  -0.335   0.708
  546   2HD2  LEU  78          2HD2      LEU  78 -14.017   1.244   1.061
  547   3HD2  LEU  78          3HD2      LEU  78 -13.194  -0.225   1.586
  548    H    LYS  79           H        LYS  79 -11.756  -1.750  -1.826
  549    HA   LYS  79           HA       LYS  79 -12.858  -4.160  -3.207
  550   1HB   LYS  79          2HB       LYS  79 -10.117  -3.173  -2.544
  551   2HB   LYS  79          1HB       LYS  79 -10.366  -4.916  -2.554
  552   1HG   LYS  79          2HG       LYS  79 -11.164  -3.141  -4.866
  553   2HG   LYS  79          1HG       LYS  79  -9.551  -3.822  -4.734
  554   1HD   LYS  79          2HD       LYS  79 -10.658  -6.111  -4.520
  555   2HD   LYS  79          1HD       LYS  79 -12.161  -5.333  -5.012
  556   1HE   LYS  79          2HE       LYS  79 -10.983  -6.316  -6.948
  557   2HE   LYS  79          1HE       LYS  79 -11.106  -4.562  -7.087
  558   1HZ   LYS  79          1HZ       LYS  79  -8.749  -5.573  -5.717
  559   2HZ   LYS  79          2HZ       LYS  79  -8.903  -4.294  -6.832
  560   3HZ   LYS  79          3HZ       LYS  79  -8.832  -5.899  -7.382
  561    HA   PRO  80           HA       PRO  80 -13.798  -5.666   0.866
  562   1HB   PRO  80          2HB       PRO  80 -12.890  -8.321   0.649
  563   2HB   PRO  80          1HB       PRO  80 -14.487  -7.742   0.133
  564   1HG   PRO  80          2HG       PRO  80 -12.044  -8.255  -1.483
  565   2HG   PRO  80          1HG       PRO  80 -13.750  -8.500  -1.899
  566   1HD   PRO  80          2HD       PRO  80 -12.329  -6.398  -2.863
  567   2HD   PRO  80          1HD       PRO  80 -14.065  -6.266  -2.496
  568    H    ASN  81           H        ASN  81 -10.633  -5.994  -0.498
  569    HA   ASN  81           HA       ASN  81  -9.402  -6.079   2.230
  570   1HB   ASN  81          2HB       ASN  81  -7.728  -7.471   1.437
  571   2HB   ASN  81          1HB       ASN  81  -9.026  -7.967   0.364
  572   1HD2  ASN  81          1HD2      ASN  81  -8.939  -7.158  -1.892
  573   2HD2  ASN  81          2HD2      ASN  81  -7.499  -6.538  -2.536
  574    H    SER  82           H        SER  82 -10.294  -3.609   0.619
  575    HA   SER  82           HA       SER  82  -8.068  -2.331  -0.534
  576   1HB   SER  82          2HB       SER  82 -10.551  -1.373   0.858
  577   2HB   SER  82          1HB       SER  82  -9.320  -0.225   0.338
  578    HG   SER  82           HG       SER  82 -10.119  -0.429  -1.576
  579    H    ARG  83           H        ARG  83  -6.910  -0.458   0.500
  580    HA   ARG  83           HA       ARG  83  -6.736  -0.251   3.367
  581   1HB   ARG  83          2HB       ARG  83  -5.297  -2.462   2.237
  582   2HB   ARG  83          1HB       ARG  83  -4.097  -1.283   2.761
  583   1HG   ARG  83          2HG       ARG  83  -4.949  -1.263   5.012
  584   2HG   ARG  83          1HG       ARG  83  -6.368  -2.204   4.552
  585   1HD   ARG  83          2HD       ARG  83  -5.203  -4.191   4.552
  586   2HD   ARG  83          1HD       ARG  83  -3.735  -3.451   3.925
  587    HE   ARG  83           HE       ARG  83  -4.064  -2.501   6.560
  588   1HH1  ARG  83          1HH2      ARG  83  -3.654  -5.441   4.819
  589   2HH1  ARG  83          2HH2      ARG  83  -2.722  -6.206   6.059
  590   1HH2  ARG  83          1HH1      ARG  83  -2.795  -3.446   8.168
  591   2HH2  ARG  83          2HH1      ARG  83  -2.220  -5.065   7.959
  592    H    LEU  84           H        LEU  84  -5.253   1.255   4.101
  593    HA   LEU  84           HA       LEU  84  -4.473   3.243   2.085
  594   1HB   LEU  84          2HB       LEU  84  -3.537   3.936   4.751
  595   2HB   LEU  84          1HB       LEU  84  -4.836   4.687   3.829
  596    HG   LEU  84           HG       LEU  84  -6.341   2.773   4.626
  597   1HD1  LEU  84          1HD1      LEU  84  -5.625   1.262   6.219
  598   2HD1  LEU  84          2HD1      LEU  84  -4.454   2.374   6.918
  599   3HD1  LEU  84          3HD1      LEU  84  -4.077   1.530   5.417
  600   1HD2  LEU  84          1HD2      LEU  84  -6.192   5.151   5.620
  601   2HD2  LEU  84          2HD2      LEU  84  -5.246   4.415   6.905
  602   3HD2  LEU  84          3HD2      LEU  84  -6.905   3.900   6.636
  603    H    CYS  85           H        CYS  85  -2.365   3.341   1.293
  604    HA   CYS  85           HA       CYS  85  -0.571   1.201   2.033
  605   1HB   CYS  85          2HB       CYS  85  -0.906   2.617  -0.235
  606   2HB   CYS  85          1HB       CYS  85   0.512   3.442   0.399
  607    HG   CYS  85           HG       CYS  85   0.427   0.361  -0.154
  608    H    CYS  86           H        CYS  86  -1.001   4.205   3.579
  609    HA   CYS  86           HA       CYS  86   1.879   4.469   4.226
  610   1HB   CYS  86          2HB       CYS  86   1.215   6.415   5.548
  611   2HB   CYS  86          1HB       CYS  86   0.563   6.505   3.906
  612    H    GLN  87           H        GLN  87  -1.093   3.350   5.801
  613    HA   GLN  87           HA       GLN  87   0.416   2.934   8.327
  614   1HB   GLN  87          2HB       GLN  87  -2.105   3.723   8.034
  615   2HB   GLN  87          1HB       GLN  87  -2.415   1.991   7.972
  616   1HG   GLN  87          2HG       GLN  87  -0.960   1.842  10.106
  617   2HG   GLN  87          1HG       GLN  87  -1.183   3.587  10.218
  618   1HE2  GLN  87          1HE2      GLN  87  -3.131   4.314  11.139
  619   2HE2  GLN  87          2HE2      GLN  87  -4.457   3.312  11.481
  620    H    ILE  88           H        ILE  88   1.540   1.348   6.381
  621    HA   ILE  88           HA       ILE  88   0.673  -1.387   7.243
  622    HB   ILE  88           HB       ILE  88   1.612  -0.691   4.427
  623   1HG1  ILE  88          2HG1      ILE  88  -1.155  -1.261   5.533
  624   2HG1  ILE  88          1HG1      ILE  88  -0.602   0.266   4.856
  625   1HG2  ILE  88          1HG2      ILE  88   0.957  -2.998   3.947
  626   2HG2  ILE  88          2HG2      ILE  88   0.409  -3.201   5.606
  627   3HG2  ILE  88          3HG2      ILE  88   2.122  -2.984   5.265
  628   1HD1  ILE  88          1HD1      ILE  88  -0.998  -2.366   3.419
  629   2HD1  ILE  88          2HD1      ILE  88  -0.109  -1.017   2.706
  630   3HD1  ILE  88          3HD1      ILE  88  -1.817  -0.833   3.110
  631    H    ILE  89           H        ILE  89   2.462  -2.912   7.352
  632    HA   ILE  89           HA       ILE  89   5.188  -1.646   7.424
  633    HB   ILE  89           HB       ILE  89   3.925  -3.563   9.411
  634   1HG1  ILE  89          2HG1      ILE  89   3.225  -1.245   9.749
  635   2HG1  ILE  89          1HG1      ILE  89   4.330  -1.728  11.036
  636   1HG2  ILE  89          1HG2      ILE  89   6.114  -3.265  10.641
  637   2HG2  ILE  89          2HG2      ILE  89   6.767  -2.546   9.171
  638   3HG2  ILE  89          3HG2      ILE  89   6.224  -4.223   9.172
  639   1HD1  ILE  89          1HD1      ILE  89   4.740   0.224   8.812
  640   2HD1  ILE  89          2HD1      ILE  89   6.146  -0.685   9.354
  641   3HD1  ILE  89          3HD1      ILE  89   5.251   0.319  10.491
  642    H    MET  90           H        MET  90   6.655  -2.788   6.207
  643    HA   MET  90           HA       MET  90   5.827  -5.413   5.166
  644   1HB   MET  90          2HB       MET  90   6.973  -3.495   3.823
  645   2HB   MET  90          1HB       MET  90   8.462  -4.118   4.529
  646   1HG   MET  90          2HG       MET  90   8.123  -5.227   2.400
  647   2HG   MET  90          1HG       MET  90   7.836  -6.397   3.673
  648   1HE   MET  90          1HE       MET  90   6.391  -8.049   3.084
  649   2HE   MET  90          2HE       MET  90   4.686  -7.899   2.670
  650   3HE   MET  90          3HE       MET  90   5.241  -7.401   4.259
  651    H    THR  91           H        THR  91   7.336  -7.234   5.185
  652    HA   THR  91           HA       THR  91   9.393  -7.262   7.300
  653    HB   THR  91           HB       THR  91   8.330  -9.362   8.278
  654    HG1  THR  91           1HG      THR  91   6.031  -8.327   6.998
  655   1HG2  THR  91          1HG2      THR  91   8.253  -7.127   9.369
  656   2HG2  THR  91          2HG2      THR  91   6.853  -8.131   9.747
  657   3HG2  THR  91          3HG2      THR  91   6.712  -6.827   8.572
  658    HA   PRO  92           HA       PRO  92  11.294  -9.880   4.299
  659   1HB   PRO  92          2HB       PRO  92  12.614 -11.702   5.953
  660   2HB   PRO  92          1HB       PRO  92  13.226 -10.098   5.528
  661   1HG   PRO  92          2HG       PRO  92  11.804 -10.986   7.996
  662   2HG   PRO  92          1HG       PRO  92  13.150  -9.844   7.816
  663   1HD   PRO  92          2HD       PRO  92  10.625  -8.988   8.224
  664   2HD   PRO  92          1HD       PRO  92  11.749  -8.085   7.177
  665    H    GLU  93           H        GLU  93   9.657 -11.605   6.961
  666    HA   GLU  93           HA       GLU  93   9.358 -14.087   5.553
  667   1HB   GLU  93          2HB       GLU  93   7.277 -14.231   7.201
  668   2HB   GLU  93          1HB       GLU  93   8.921 -14.306   7.839
  669   1HG   GLU  93          2HG       GLU  93   8.879 -12.044   8.544
  670   2HG   GLU  93          1HG       GLU  93   7.466 -11.675   7.549
  671    H    LEU  94           H        LEU  94   7.700 -11.048   5.389
  672    HA   LEU  94           HA       LEU  94   5.517 -12.202   3.721
  673   1HB   LEU  94          2HB       LEU  94   5.913  -9.475   4.998
  674   2HB   LEU  94          1HB       LEU  94   4.542  -9.860   4.000
  675    HG   LEU  94           HG       LEU  94   5.250 -10.923   6.727
  676   1HD1  LEU  94          1HD1      LEU  94   3.814  -8.960   6.616
  677   2HD1  LEU  94          2HD1      LEU  94   2.870 -10.345   7.159
  678   3HD1  LEU  94          3HD1      LEU  94   2.726  -9.786   5.492
  679   1HD2  LEU  94          1HD2      LEU  94   3.421 -12.237   4.696
  680   2HD2  LEU  94          2HD2      LEU  94   3.257 -12.489   6.430
  681   3HD2  LEU  94          3HD2      LEU  94   4.731 -12.980   5.627
  682    H    ASP  95           H        ASP  95   8.389 -11.800   2.915
  683    HA   ASP  95           HA       ASP  95   8.478  -9.669   1.000
  684   1HB   ASP  95          2HB       ASP  95  10.366 -10.963   0.007
  685   2HB   ASP  95          1HB       ASP  95  10.524 -10.795   1.755
  686    H    GLY  96           H        GLY  96   7.907  -9.610  -1.126
  687   1HA   GLY  96          2HA       GLY  96   7.360 -10.687  -3.270
  688   2HA   GLY  96          1HA       GLY  96   6.683 -12.048  -2.373
  689    H    ILE  97           H        ILE  97   5.875  -9.189  -0.885
  690    HA   ILE  97           HA       ILE  97   3.091  -9.490  -1.335
  691    HB   ILE  97           HB       ILE  97   3.638  -8.333   0.613
  692   1HG1  ILE  97          2HG1      ILE  97   2.934  -5.965   0.424
  693   2HG1  ILE  97          1HG1      ILE  97   3.025  -6.055  -1.318
  694   1HG2  ILE  97          1HG2      ILE  97   5.188  -6.099   0.061
  695   2HG2  ILE  97          2HG2      ILE  97   5.814  -7.276  -1.053
  696   3HG2  ILE  97          3HG2      ILE  97   5.813  -7.635   0.652
  697   1HD1  ILE  97          1HD1      ILE  97   0.957  -6.970   0.505
  698   2HD1  ILE  97          2HD1      ILE  97   1.382  -8.203  -0.661
  699   3HD1  ILE  97          3HD1      ILE  97   0.835  -6.622  -1.208
  700    H    VAL  98           H        VAL  98   1.802  -8.892  -2.997
  701    HA   VAL  98           HA       VAL  98   2.946  -7.092  -5.102
  702    HB   VAL  98           HB       VAL  98   0.444  -8.755  -5.329
  703   1HG1  VAL  98          1HG1      VAL  98   2.489  -7.736  -7.328
  704   2HG1  VAL  98          2HG1      VAL  98   0.857  -7.109  -7.095
  705   3HG1  VAL  98          3HG1      VAL  98   1.095  -8.736  -7.736
  706   1HG2  VAL  98          1HG2      VAL  98   1.932 -10.524  -6.340
  707   2HG2  VAL  98          2HG2      VAL  98   2.160 -10.308  -4.597
  708   3HG2  VAL  98          3HG2      VAL  98   3.322  -9.620  -5.735
  709    H    VAL  99           H        VAL  99   2.269  -4.956  -4.905
  710    HA   VAL  99           HA       VAL  99  -0.364  -4.393  -3.638
  711    HB   VAL  99           HB       VAL  99   1.717  -2.366  -4.464
  712   1HG1  VAL  99          1HG1      VAL  99  -0.294  -2.548  -2.189
  713   2HG1  VAL  99          2HG1      VAL  99  -0.443  -1.547  -3.640
  714   3HG1  VAL  99          3HG1      VAL  99   0.816  -1.201  -2.450
  715   1HG2  VAL  99          1HG2      VAL  99   2.616  -2.678  -2.077
  716   2HG2  VAL  99          2HG2      VAL  99   3.069  -3.902  -3.261
  717   3HG2  VAL  99          3HG2      VAL  99   1.791  -4.235  -2.090
  718    H    ASP 100           H        ASP 100  -1.985  -3.576  -4.845
  719    HA   ASP 100           HA       ASP 100  -1.466  -2.943  -7.722
  720   1HB   ASP 100          2HB       ASP 100  -3.617  -4.335  -6.258
  721   2HB   ASP 100          1HB       ASP 100  -4.190  -3.241  -7.522
  722    H    VAL 101           H        VAL 101  -1.568  -0.895  -8.291
  723    HA   VAL 101           HA       VAL 101  -2.977   1.066  -6.525
  724    HB   VAL 101           HB       VAL 101  -0.802   1.655  -8.539
  725   1HG1  VAL 101          1HG1      VAL 101  -1.802   3.172  -6.112
  726   2HG1  VAL 101          2HG1      VAL 101  -2.251   3.536  -7.773
  727   3HG1  VAL 101          3HG1      VAL 101  -0.577   3.721  -7.249
  728   1HG2  VAL 101          1HG2      VAL 101   0.688   1.737  -6.504
  729   2HG2  VAL 101          2HG2      VAL 101   0.140   0.115  -6.928
  730   3HG2  VAL 101          3HG2      VAL 101  -0.617   0.981  -5.585
  731    HA   PRO 102           HA       PRO 102  -5.510   1.520 -10.285
  732   1HB   PRO 102          2HB       PRO 102  -7.481   3.036  -9.294
  733   2HB   PRO 102          1HB       PRO 102  -7.260   1.372  -8.730
  734   1HG   PRO 102          2HG       PRO 102  -6.403   3.906  -7.430
  735   2HG   PRO 102          1HG       PRO 102  -7.204   2.484  -6.729
  736   1HD   PRO 102          2HD       PRO 102  -4.474   2.922  -6.585
  737   2HD   PRO 102          1HD       PRO 102  -5.235   1.314  -6.508
  738    H    ASP 103           H        ASP 103  -6.596   3.490 -11.421
  739    HA   ASP 103           HA       ASP 103  -4.559   5.598 -11.744
  740   1HB   ASP 103          2HB       ASP 103  -7.241   5.505 -13.138
  741   2HB   ASP 103          1HB       ASP 103  -5.734   6.229 -13.702
  742    H    ARG 104           H        ARG 104  -7.495   5.082 -10.042
  743    HA   ARG 104           HA       ARG 104  -7.878   8.003  -9.526
  744   1HB   ARG 104          2HB       ARG 104  -9.645   5.562  -9.419
  745   2HB   ARG 104          1HB       ARG 104 -10.055   6.973  -8.446
  746   1HG   ARG 104          2HG       ARG 104  -9.474   7.216 -11.402
  747   2HG   ARG 104          1HG       ARG 104 -11.077   6.771 -10.827
  748   1HD   ARG 104          2HD       ARG 104 -11.317   9.074 -10.931
  749   2HD   ARG 104          1HD       ARG 104 -10.734   8.931  -9.273
  750    HE   ARG 104           HE       ARG 104  -8.473   9.171 -10.973
  751   1HH1  ARG 104          1HH2      ARG 104 -11.206  10.915  -9.803
  752   2HH1  ARG 104          2HH2      ARG 104 -10.511  12.473 -10.094
  753   1HH2  ARG 104          1HH1      ARG 104  -7.556  11.208 -11.387
  754   2HH2  ARG 104          2HH1      ARG 104  -8.454  12.636 -10.989
  755    H    GLN 105           H        GLN 105  -6.002   7.953  -8.003
  756    HA   GLN 105           HA       GLN 105  -6.226   6.141  -5.694
  757   1HB   GLN 105          2HB       GLN 105  -4.210   7.585  -4.907
  758   2HB   GLN 105          1HB       GLN 105  -3.977   6.530  -6.299
  759   1HG   GLN 105          2HG       GLN 105  -4.880   9.382  -6.704
  760   2HG   GLN 105          1HG       GLN 105  -3.175   9.021  -6.442
  761   1HE2  GLN 105          1HE2      GLN 105  -5.315   9.526  -8.902
  762   2HE2  GLN 105          2HE2      GLN 105  -4.613   8.554 -10.108
  763    H    TRP 106           H        TRP 106  -6.878   9.484  -6.515
  764    HA   TRP 106           HA       TRP 106  -7.810  11.236  -5.246
  765   1HB   TRP 106          2HB       TRP 106  -9.741   9.842  -5.578
  766   2HB   TRP 106          1HB       TRP 106  -9.248   8.758  -4.282
  767    HD1  TRP 106           HD       TRP 106 -10.452   9.145  -2.132
  768    HE1  TRP 106           1HE      TRP 106 -11.663  11.156  -0.996
  769    HE3  TRP 106           3HE      TRP 106  -9.506  12.812  -5.542
  770    HZ2  TRP 106           2HZ      TRP 106 -12.102  13.912  -1.454
  771    HZ3  TRP 106           3HZ      TRP 106 -10.324  15.121  -5.170
  772    HH2  TRP 106           HH       TRP 106 -11.621  15.676  -3.129
  Start of MODEL    6
    1   1H    SER   1          1HT       SER   1  12.752  -6.843   2.237
    2   2H    SER   1          2HT       SER   1  11.529  -6.194   3.228
    3   3H    SER   1          3HT       SER   1  11.803  -5.556   1.675
    4    HA   SER   1           HA       SER   1  11.219  -8.396   1.773
    5   1HB   SER   1          2HB       SER   1   8.667  -7.174   1.743
    6   2HB   SER   1          1HB       SER   1   9.334  -8.163   3.031
    7    HG   SER   1           HG       SER   1   9.177  -5.388   2.784
    8    H    LYS   2           H        LYS   2  10.251  -8.984  -0.250
    9    HA   LYS   2           HA       LYS   2  10.870  -7.130  -2.398
   10   1HB   LYS   2          2HB       LYS   2   9.921  -9.951  -2.145
   11   2HB   LYS   2          1HB       LYS   2   9.526  -9.126  -3.646
   12   1HG   LYS   2          2HG       LYS   2  12.336  -9.108  -2.535
   13   2HG   LYS   2          1HG       LYS   2  11.761 -10.441  -3.536
   14   1HD   LYS   2          2HD       LYS   2  11.073  -8.582  -5.229
   15   2HD   LYS   2          1HD       LYS   2  12.143  -7.542  -4.294
   16   1HE   LYS   2          2HE       LYS   2  14.000  -9.126  -4.642
   17   2HE   LYS   2          1HE       LYS   2  12.936 -10.170  -5.581
   18   1HZ   LYS   2          1HZ       LYS   2  14.290  -7.771  -6.368
   19   2HZ   LYS   2          2HZ       LYS   2  12.631  -7.719  -6.728
   20   3HZ   LYS   2          3HZ       LYS   2  13.594  -8.981  -7.326
   21    H    VAL   3           H        VAL   3   9.513  -5.422  -2.609
   22    HA   VAL   3           HA       VAL   3   6.553  -5.899  -2.353
   23    HB   VAL   3           HB       VAL   3   8.325  -3.480  -1.998
   24   1HG1  VAL   3          1HG1      VAL   3   6.244  -2.124  -1.756
   25   2HG1  VAL   3          2HG1      VAL   3   5.322  -3.477  -2.393
   26   3HG1  VAL   3          3HG1      VAL   3   6.514  -2.655  -3.408
   27   1HG2  VAL   3          1HG2      VAL   3   7.787  -5.053  -0.124
   28   2HG2  VAL   3          2HG2      VAL   3   6.091  -4.618  -0.313
   29   3HG2  VAL   3          3HG2      VAL   3   7.254  -3.401   0.157
   30    H    VAL   4           H        VAL   4   5.714  -6.340  -4.347
   31    HA   VAL   4           HA       VAL   4   6.841  -4.994  -6.737
   32    HB   VAL   4           HB       VAL   4   4.869  -7.253  -6.530
   33   1HG1  VAL   4          1HG1      VAL   4   4.599  -6.047  -8.624
   34   2HG1  VAL   4          2HG1      VAL   4   5.448  -7.558  -8.951
   35   3HG1  VAL   4          3HG1      VAL   4   6.344  -6.040  -8.873
   36   1HG2  VAL   4          1HG2      VAL   4   6.913  -8.538  -7.433
   37   2HG2  VAL   4          2HG2      VAL   4   6.934  -8.091  -5.730
   38   3HG2  VAL   4          3HG2      VAL   4   7.857  -7.149  -6.900
   39    H    TYR   5           H        TYR   5   5.973  -3.025  -6.611
   40    HA   TYR   5           HA       TYR   5   3.164  -2.422  -6.169
   41   1HB   TYR   5          2HB       TYR   5   5.053  -0.664  -7.744
   42   2HB   TYR   5          1HB       TYR   5   3.603  -0.182  -6.865
   43    HD1  TYR   5           1HD      TYR   5   7.146  -0.749  -6.657
   44    HD2  TYR   5           2HD      TYR   5   3.567  -0.426  -4.317
   45    HE1  TYR   5           1HE      TYR   5   8.492  -0.257  -4.693
   46    HE2  TYR   5           2HE      TYR   5   4.935   0.048  -2.302
   47    HH   TYR   5           HH       TYR   5   7.027   0.672  -1.608
   48    H    VAL   6           H        VAL   6   1.613  -3.115  -7.562
   49    HA   VAL   6           HA       VAL   6   2.310  -3.436 -10.450
   50    HB   VAL   6           HB       VAL   6  -0.032  -4.402  -8.789
   51   1HG1  VAL   6          1HG1      VAL   6  -0.932  -3.974 -10.953
   52   2HG1  VAL   6          2HG1      VAL   6  -0.547  -5.694 -10.948
   53   3HG1  VAL   6          3HG1      VAL   6   0.527  -4.556 -11.753
   54   1HG2  VAL   6          1HG2      VAL   6   2.041  -5.637  -8.418
   55   2HG2  VAL   6          2HG2      VAL   6   2.284  -5.803 -10.158
   56   3HG2  VAL   6          3HG2      VAL   6   0.938  -6.629  -9.375
   57    H    SER   7           H        SER   7   1.938  -1.644 -11.590
   58    HA   SER   7           HA       SER   7   0.117   0.438 -10.735
   59   1HB   SER   7          2HB       SER   7   0.668   1.477 -12.929
   60   2HB   SER   7          1HB       SER   7   2.105   1.011 -12.032
   61    HG   SER   7           HG       SER   7   1.130   0.083 -14.414
   62    H    HIS   8           H        HIS   8  -1.082   1.135 -13.211
   63    HA   HIS   8           HA       HIS   8  -3.306  -0.807 -13.209
   64   1HB   HIS   8          2HB       HIS   8  -4.075   1.088 -15.035
   65   2HB   HIS   8          1HB       HIS   8  -4.346   1.242 -13.308
   66    HD1  HIS   8           1HD      HIS   8  -1.827   2.157 -12.139
   67    HD2  HIS   8           2HD      HIS   8  -3.003   3.460 -15.923
   68    HE1  HIS   8           1HE      HIS   8  -0.607   4.343 -12.560
   69    HE2  HIS   8           2HE      HIS   8  -1.309   5.139 -14.863
   70    H    ASP   9           H        ASP   9  -1.147   0.730 -15.617
   71    HA   ASP   9           HA       ASP   9  -2.026  -0.887 -17.789
   72   1HB   ASP   9          2HB       ASP   9   0.257  -0.221 -18.773
   73   2HB   ASP   9          1HB       ASP   9  -0.835   1.094 -18.343
   74    H    GLY  10           H        GLY  10  -0.591  -1.991 -15.032
   75   1HA   GLY  10          2HA       GLY  10   0.058  -4.277 -14.718
   76   2HA   GLY  10          1HA       GLY  10   0.419  -4.398 -16.437
   77    H    THR  11           H        THR  11   1.777  -1.537 -15.554
   78    HA   THR  11           HA       THR  11   4.453  -2.514 -15.725
   79    HB   THR  11           HB       THR  11   3.149   0.031 -15.590
   80    HG1  THR  11           1HG      THR  11   5.872  -0.127 -15.990
   81   1HG2  THR  11          1HG2      THR  11   4.815   1.334 -14.312
   82   2HG2  THR  11          2HG2      THR  11   5.563  -0.165 -13.761
   83   3HG2  THR  11          3HG2      THR  11   3.922   0.236 -13.257
   84    H    ARG  12           H        ARG  12   5.720  -3.409 -14.198
   85    HA   ARG  12           HA       ARG  12   4.771  -3.384 -11.357
   86   1HB   ARG  12          2HB       ARG  12   6.861  -5.339 -12.243
   87   2HB   ARG  12          1HB       ARG  12   5.508  -5.556 -11.144
   88   1HG   ARG  12          2HG       ARG  12   4.852  -6.821 -12.998
   89   2HG   ARG  12          1HG       ARG  12   4.005  -5.301 -13.245
   90   1HD   ARG  12          2HD       ARG  12   5.201  -4.831 -15.158
   91   2HD   ARG  12          1HD       ARG  12   6.720  -5.394 -14.469
   92    HE   ARG  12           HE       ARG  12   6.209  -7.616 -15.207
   93   1HH1  ARG  12          1HH2      ARG  12   3.696  -5.320 -15.890
   94   2HH1  ARG  12          2HH2      ARG  12   2.823  -6.394 -16.925
   95   1HH2  ARG  12          1HH1      ARG  12   5.070  -9.025 -16.550
   96   2HH2  ARG  12          2HH1      ARG  12   3.601  -8.490 -17.298
   97    H    ARG  13           H        ARG  13   6.408  -3.339  -9.679
   98    HA   ARG  13           HA       ARG  13   9.120  -2.396 -10.359
   99   1HB   ARG  13          2HB       ARG  13   7.039  -0.696  -8.980
  100   2HB   ARG  13          1HB       ARG  13   8.738  -0.525  -8.536
  101   1HG   ARG  13          2HG       ARG  13   9.228  -0.199 -11.003
  102   2HG   ARG  13          1HG       ARG  13   7.491  -0.087 -11.249
  103   1HD   ARG  13          2HD       ARG  13   8.126   1.673  -9.081
  104   2HD   ARG  13          1HD       ARG  13   9.302   1.977 -10.360
  105    HE   ARG  13           HE       ARG  13   7.520   2.670 -11.806
  106   1HH1  ARG  13          1HH2      ARG  13   6.413   1.583  -8.708
  107   2HH1  ARG  13          2HH2      ARG  13   4.838   2.271  -8.890
  108   1HH2  ARG  13          1HH1      ARG  13   5.474   3.559 -12.049
  109   2HH2  ARG  13          2HH1      ARG  13   4.307   3.386 -10.781
  110    H    GLU  14           H        GLU  14  10.324  -3.765  -9.104
  111    HA   GLU  14           HA       GLU  14   9.127  -4.793  -6.569
  112   1HB   GLU  14          2HB       GLU  14  11.759  -5.721  -7.730
  113   2HB   GLU  14          1HB       GLU  14  10.587  -6.623  -6.765
  114   1HG   GLU  14          2HG       GLU  14   8.973  -6.309  -8.745
  115   2HG   GLU  14          1HG       GLU  14  10.387  -5.807  -9.671
  116    H    LEU  15           H        LEU  15   9.723  -4.084  -4.712
  117    HA   LEU  15           HA       LEU  15  12.149  -2.368  -4.403
  118   1HB   LEU  15          2HB       LEU  15   9.379  -2.136  -3.677
  119   2HB   LEU  15          1HB       LEU  15  10.283  -2.272  -2.188
  120    HG   LEU  15           HG       LEU  15   9.896   0.025  -2.982
  121   1HD1  LEU  15          1HD1      LEU  15  11.950   0.836  -2.214
  122   2HD1  LEU  15          2HD1      LEU  15  12.832  -0.548  -2.851
  123   3HD1  LEU  15          3HD1      LEU  15  11.775  -0.735  -1.450
  124   1HD2  LEU  15          1HD2      LEU  15  10.623  -0.800  -5.474
  125   2HD2  LEU  15          2HD2      LEU  15  12.152  -0.117  -4.922
  126   3HD2  LEU  15          3HD2      LEU  15  10.707   0.875  -4.956
  127    H    ASP  16           H        ASP  16  12.595  -2.254  -1.963
  128    HA   ASP  16           HA       ASP  16  12.700  -4.913  -0.669
  129   1HB   ASP  16          2HB       ASP  16  14.920  -4.349  -1.869
  130   2HB   ASP  16          1HB       ASP  16  15.077  -3.017  -0.727
  131    H    VAL  17           H        VAL  17  11.270  -4.297   0.959
  132    HA   VAL  17           HA       VAL  17  11.746  -1.697   2.373
  133    HB   VAL  17           HB       VAL  17   9.235  -3.433   2.374
  134   1HG1  VAL  17          1HG1      VAL  17   8.998  -1.943   4.139
  135   2HG1  VAL  17          2HG1      VAL  17   8.275  -1.031   2.824
  136   3HG1  VAL  17          3HG1      VAL  17   9.919  -0.670   3.334
  137   1HG2  VAL  17          1HG2      VAL  17   9.494  -2.853   0.095
  138   2HG2  VAL  17          2HG2      VAL  17  10.189  -1.280   0.469
  139   3HG2  VAL  17          3HG2      VAL  17   8.470  -1.558   0.717
  140    H    ALA  18           H        ALA  18  12.782  -1.960   4.263
  141    HA   ALA  18           HA       ALA  18  13.236  -4.547   5.439
  142   1HB   ALA  18          1HB       ALA  18  14.715  -2.443   5.580
  143   2HB   ALA  18          2HB       ALA  18  14.562  -3.422   7.034
  144   3HB   ALA  18          3HB       ALA  18  13.640  -1.927   6.873
  145    H    ASP  19           H        ASP  19  12.881  -4.741   7.928
  146    HA   ASP  19           HA       ASP  19  10.089  -5.022   8.377
  147   1HB   ASP  19          2HB       ASP  19  10.873  -5.467  10.771
  148   2HB   ASP  19          1HB       ASP  19  11.536  -6.515   9.517
  149    H    GLY  20           H        GLY  20   8.666  -3.775   9.388
  150   1HA   GLY  20          2HA       GLY  20   7.806  -2.005  10.726
  151   2HA   GLY  20          1HA       GLY  20   9.458  -1.507  11.066
  152    H    VAL  21           H        VAL  21   9.827  -1.585   7.920
  153    HA   VAL  21           HA       VAL  21   9.265   1.248   7.626
  154    HB   VAL  21           HB       VAL  21  10.179  -0.789   5.585
  155   1HG1  VAL  21          1HG1      VAL  21  11.003   1.152   4.330
  156   2HG1  VAL  21          2HG1      VAL  21  10.307   2.224   5.548
  157   3HG1  VAL  21          3HG1      VAL  21   9.256   1.221   4.543
  158   1HG2  VAL  21          1HG2      VAL  21  11.682  -0.492   7.592
  159   2HG2  VAL  21          2HG2      VAL  21  11.874   1.191   7.090
  160   3HG2  VAL  21          3HG2      VAL  21  12.415  -0.114   6.027
  161    H    SER  22           H        SER  22   7.568   2.162   6.441
  162    HA   SER  22           HA       SER  22   5.388   0.295   5.676
  163   1HB   SER  22          2HB       SER  22   4.036   2.387   5.482
  164   2HB   SER  22          1HB       SER  22   4.753   2.192   7.083
  165    HG   SER  22           HG       SER  22   6.296   3.512   5.194
  166    H    LEU  23           H        LEU  23   4.610   0.166   3.569
  167    HA   LEU  23           HA       LEU  23   6.336   0.363   1.405
  168   1HB   LEU  23          2HB       LEU  23   3.358   0.913   1.296
  169   2HB   LEU  23          1HB       LEU  23   4.367   0.354  -0.035
  170    HG   LEU  23           HG       LEU  23   3.733  -1.158   2.512
  171   1HD1  LEU  23          1HD1      LEU  23   1.897  -1.369   1.039
  172   2HD1  LEU  23          2HD1      LEU  23   2.859  -2.813   0.725
  173   3HD1  LEU  23          3HD1      LEU  23   2.936  -1.448  -0.380
  174   1HD2  LEU  23          1HD2      LEU  23   5.011  -3.008   1.101
  175   2HD2  LEU  23          2HD2      LEU  23   5.914  -1.871   2.102
  176   3HD2  LEU  23          3HD2      LEU  23   5.784  -1.610   0.370
  177    H    MET  24           H        MET  24   4.289   2.913   2.725
  178    HA   MET  24           HA       MET  24   4.750   4.808   0.631
  179   1HB   MET  24          2HB       MET  24   2.936   5.244   2.098
  180   2HB   MET  24          1HB       MET  24   3.945   5.044   3.526
  181   1HG   MET  24          2HG       MET  24   3.349   7.456   2.898
  182   2HG   MET  24          1HG       MET  24   5.063   7.126   3.148
  183   1HE   MET  24          1HE       MET  24   5.153   9.741   0.321
  184   2HE   MET  24          2HE       MET  24   5.581   9.312   1.978
  185   3HE   MET  24          3HE       MET  24   3.903   9.659   1.569
  186    H    GLN  25           H        GLN  25   6.670   3.798   3.391
  187    HA   GLN  25           HA       GLN  25   8.425   6.119   3.322
  188   1HB   GLN  25          2HB       GLN  25   8.530   3.432   4.673
  189   2HB   GLN  25          1HB       GLN  25   9.943   4.483   4.692
  190   1HG   GLN  25          2HG       GLN  25   7.218   5.488   5.524
  191   2HG   GLN  25          1HG       GLN  25   8.296   4.689   6.667
  192   1HE2  GLN  25          1HE2      GLN  25  10.753   5.656   6.294
  193   2HE2  GLN  25          2HE2      GLN  25  10.809   7.353   6.326
  194    H    ALA  26           H        ALA  26   9.128   2.650   2.481
  195    HA   ALA  26           HA       ALA  26  11.545   3.279   1.112
  196   1HB   ALA  26          1HB       ALA  26  10.914   0.995   1.820
  197   2HB   ALA  26          2HB       ALA  26  11.319   1.049   0.103
  198   3HB   ALA  26          3HB       ALA  26   9.631   0.984   0.605
  199    H    ALA  27           H        ALA  27   8.205   3.527   0.012
  200    HA   ALA  27           HA       ALA  27   8.767   3.506  -2.799
  201   1HB   ALA  27          1HB       ALA  27   6.540   4.549  -1.067
  202   2HB   ALA  27          2HB       ALA  27   6.486   3.309  -2.313
  203   3HB   ALA  27          3HB       ALA  27   6.584   5.009  -2.766
  204    H    VAL  28           H        VAL  28   9.345   5.806  -0.301
  205    HA   VAL  28           HA       VAL  28   9.597   8.102  -2.141
  206    HB   VAL  28           HB       VAL  28  10.201   7.792   0.806
  207   1HG1  VAL  28          1HG1      VAL  28  11.649   9.515   0.014
  208   2HG1  VAL  28          2HG1      VAL  28  10.245  10.351   0.679
  209   3HG1  VAL  28          3HG1      VAL  28  10.412  10.157  -1.057
  210   1HG2  VAL  28          1HG2      VAL  28   8.029   9.413  -0.535
  211   2HG2  VAL  28          2HG2      VAL  28   8.149   8.959   1.157
  212   3HG2  VAL  28          3HG2      VAL  28   7.782   7.737  -0.051
  213    H    SER  29           H        SER  29  11.619   5.675  -0.687
  214    HA   SER  29           HA       SER  29  14.136   7.055  -1.070
  215   1HB   SER  29          2HB       SER  29  14.782   5.305   0.232
  216   2HB   SER  29          1HB       SER  29  13.193   4.585   0.016
  217    HG   SER  29           HG       SER  29  14.997   3.287  -0.722
  218    H    ASN  30           H        ASN  30  12.012   5.183  -3.047
  219    HA   ASN  30           HA       ASN  30  14.038   5.062  -5.245
  220   1HB   ASN  30          2HB       ASN  30  11.491   3.642  -5.712
  221   2HB   ASN  30          1HB       ASN  30  13.139   3.034  -5.798
  222   1HD2  ASN  30          1HD2      ASN  30  14.199   2.817  -3.472
  223   2HD2  ASN  30          2HD2      ASN  30  13.198   2.124  -2.287
  224    H    GLY  31           H        GLY  31  11.645   6.962  -4.036
  225   1HA   GLY  31          2HA       GLY  31  10.388   8.708  -5.004
  226   2HA   GLY  31          1HA       GLY  31  11.364   8.495  -6.453
  227    H    ILE  32           H        ILE  32   8.716   6.899  -4.683
  228    HA   ILE  32           HA       ILE  32   7.488   6.165  -7.327
  229    HB   ILE  32           HB       ILE  32   7.701   4.588  -4.756
  230   1HG1  ILE  32          2HG1      ILE  32   8.228   3.737  -7.608
  231   2HG1  ILE  32          1HG1      ILE  32   9.467   4.500  -6.607
  232   1HG2  ILE  32          1HG2      ILE  32   6.234   2.895  -6.031
  233   2HG2  ILE  32          2HG2      ILE  32   5.769   4.256  -7.055
  234   3HG2  ILE  32          3HG2      ILE  32   5.411   4.290  -5.326
  235   1HD1  ILE  32          1HD1      ILE  32   7.927   2.044  -5.733
  236   2HD1  ILE  32          2HD1      ILE  32   9.364   2.736  -4.988
  237   3HD1  ILE  32          3HD1      ILE  32   9.478   1.968  -6.570
  238    H    TYR  33           H        TYR  33   6.900   7.093  -3.936
  239    HA   TYR  33           HA       TYR  33   4.025   7.465  -4.506
  240   1HB   TYR  33          2HB       TYR  33   5.674   7.073  -2.142
  241   2HB   TYR  33          1HB       TYR  33   4.672   8.501  -1.919
  242    HD1  TYR  33           1HD      TYR  33   2.580   8.128  -0.940
  243    HD2  TYR  33           2HD      TYR  33   4.321   5.055  -3.388
  244    HE1  TYR  33           1HE      TYR  33   0.627   6.671  -0.506
  245    HE2  TYR  33           2HE      TYR  33   2.364   3.599  -2.945
  246    HH   TYR  33           HH       TYR  33  -0.500   4.666  -1.823
  247    H    ASP  34           H        ASP  34   6.604   9.213  -5.287
  248    HA   ASP  34           HA       ASP  34   6.622  11.764  -4.408
  249   1HB   ASP  34          2HB       ASP  34   7.115  12.542  -6.690
  250   2HB   ASP  34          1HB       ASP  34   7.940  11.022  -6.343
  251    H    ILE  35           H        ILE  35   4.426  11.872  -3.540
  252    HA   ILE  35           HA       ILE  35   2.720  13.583  -5.263
  253    HB   ILE  35           HB       ILE  35   2.014  11.070  -5.398
  254   1HG1  ILE  35          2HG1      ILE  35  -0.502  11.873  -5.074
  255   2HG1  ILE  35          1HG1      ILE  35   0.243  13.457  -4.883
  256   1HG2  ILE  35          1HG2      ILE  35   2.151  10.936  -2.798
  257   2HG2  ILE  35          2HG2      ILE  35   0.806  10.138  -3.609
  258   3HG2  ILE  35          3HG2      ILE  35   0.563  11.701  -2.829
  259   1HD1  ILE  35          1HD1      ILE  35   1.310  13.260  -7.074
  260   2HD1  ILE  35          2HD1      ILE  35  -0.419  12.973  -7.243
  261   3HD1  ILE  35          3HD1      ILE  35   0.703  11.614  -7.250
  262    H    VAL  36           H        VAL  36   4.242  13.206  -2.414
  263    HA   VAL  36           HA       VAL  36   4.022  14.218  -0.306
  264    HB   VAL  36           HB       VAL  36   1.971  16.010  -1.627
  265   1HG1  VAL  36          1HG1      VAL  36   2.814  17.654  -0.049
  266   2HG1  VAL  36          2HG1      VAL  36   4.094  16.559   0.462
  267   3HG1  VAL  36          3HG1      VAL  36   2.411  16.189   0.833
  268   1HG2  VAL  36          1HG2      VAL  36   3.973  17.425  -2.256
  269   2HG2  VAL  36          2HG2      VAL  36   3.836  15.920  -3.162
  270   3HG2  VAL  36          3HG2      VAL  36   4.996  16.048  -1.843
  271    H    GLY  37           H        GLY  37   3.015  12.765   1.039
  272   1HA   GLY  37          2HA       GLY  37   0.263  11.948   0.727
  273   2HA   GLY  37          1HA       GLY  37   1.276  11.619   2.130
  274    H    ASP  38           H        ASP  38  -1.537  12.514   2.083
  275    HA   ASP  38           HA       ASP  38  -1.509  15.312   2.955
  276   1HB   ASP  38          2HB       ASP  38  -3.714  13.244   3.211
  277   2HB   ASP  38          1HB       ASP  38  -3.892  14.993   3.357
  278    H    CYS  39           H        CYS  39  -2.521  12.292   4.615
  279    HA   CYS  39           HA       CYS  39  -2.225  13.511   7.232
  280   1HB   CYS  39          2HB       CYS  39  -2.854  11.396   8.116
  281   2HB   CYS  39          1HB       CYS  39  -3.732  11.520   6.593
  282    H    GLY  40           H        GLY  40   0.137  13.192   5.215
  283   1HA   GLY  40          2HA       GLY  40   2.441  12.752   5.374
  284   2HA   GLY  40          1HA       GLY  40   2.229  12.993   7.115
  285    H    GLY  41           H        GLY  41   0.177  10.632   5.865
  286   1HA   GLY  41          2HA       GLY  41   0.378   8.269   5.697
  287   2HA   GLY  41          1HA       GLY  41   2.045   8.376   6.270
  288    H    SER  42           H        SER  42  -0.431  10.127   7.960
  289    HA   SER  42           HA       SER  42  -0.003   8.407  10.339
  290   1HB   SER  42          2HB       SER  42   0.207  10.875  10.553
  291   2HB   SER  42          1HB       SER  42  -1.474  11.045  10.063
  292    HG   SER  42           HG       SER  42  -0.666   9.417  12.235
  293    H    ALA  43           H        ALA  43  -1.595   7.323   8.196
  294    HA   ALA  43           HA       ALA  43  -3.726   6.412   7.770
  295   1HB   ALA  43          1HB       ALA  43  -4.444   5.060   9.543
  296   2HB   ALA  43          2HB       ALA  43  -4.059   6.273  10.761
  297   3HB   ALA  43          3HB       ALA  43  -2.767   5.367   9.987
  298    H    SER  44           H        SER  44  -4.444   8.713   7.112
  299    HA   SER  44           HA       SER  44  -6.963   9.267   8.440
  300   1HB   SER  44          2HB       SER  44  -6.465  11.114   9.697
  301   2HB   SER  44          1HB       SER  44  -4.828  10.466   9.665
  302    HG   SER  44           HG       SER  44  -5.787  12.731   8.594
  303    H    CYS  45           H        CYS  45  -5.797   8.773   5.708
  304    HA   CYS  45           HA       CYS  45  -7.420  10.757   4.321
  305   1HB   CYS  45          2HB       CYS  45  -5.786  11.956   3.159
  306   2HB   CYS  45          1HB       CYS  45  -5.072  11.823   4.754
  307    H    ALA  46           H        ALA  46  -7.577  10.268   1.998
  308    HA   ALA  46           HA       ALA  46  -7.134   7.367   1.491
  309   1HB   ALA  46          1HB       ALA  46  -8.565   7.947  -0.578
  310   2HB   ALA  46          2HB       ALA  46  -8.855   9.495   0.206
  311   3HB   ALA  46          3HB       ALA  46  -9.367   7.996   0.988
  312    H    THR  47           H        THR  47  -5.242   9.907   1.270
  313    HA   THR  47           HA       THR  47  -4.524  10.215  -1.439
  314    HB   THR  47           HB       THR  47  -2.471  10.244   0.769
  315    HG1  THR  47           1HG      THR  47  -3.390  11.938   1.628
  316   1HG2  THR  47          1HG2      THR  47  -2.952  11.920  -1.701
  317   2HG2  THR  47          2HG2      THR  47  -1.675  10.725  -1.484
  318   3HG2  THR  47          3HG2      THR  47  -1.669  12.210  -0.529
  319    H    CYS  48           H        CYS  48  -3.488   7.751   0.923
  320    HA   CYS  48           HA       CYS  48  -1.843   6.456  -1.204
  321   1HB   CYS  48          2HB       CYS  48  -0.892   5.140   0.542
  322   2HB   CYS  48          1HB       CYS  48  -0.974   6.793   1.149
  323    H    HIS  49           H        HIS  49  -4.401   6.304  -1.937
  324    HA   HIS  49           HA       HIS  49  -5.837   3.980  -0.915
  325   1HB   HIS  49          2HB       HIS  49  -7.092   5.781  -1.958
  326   2HB   HIS  49          1HB       HIS  49  -6.089   5.704  -3.383
  327    HD1  HIS  49           1HD      HIS  49  -8.290   3.112  -1.547
  328    HD2  HIS  49           2HD      HIS  49  -7.455   4.521  -5.371
  329    HE1  HIS  49           1HE      HIS  49  -9.682   1.708  -3.182
  330    HE2  HIS  49           2HE      HIS  49  -9.142   2.558  -5.478
  331    H    VAL  50           H        VAL  50  -4.907   1.936  -1.264
  332    HA   VAL  50           HA       VAL  50  -4.251   1.240  -4.066
  333    HB   VAL  50           HB       VAL  50  -2.024   0.694  -3.783
  334   1HG1  VAL  50          1HG1      VAL  50  -0.891   2.398  -2.415
  335   2HG1  VAL  50          2HG1      VAL  50  -2.405   2.753  -1.585
  336   3HG1  VAL  50          3HG1      VAL  50  -2.237   3.103  -3.306
  337   1HG2  VAL  50          1HG2      VAL  50  -2.732   0.161  -0.891
  338   2HG2  VAL  50          2HG2      VAL  50  -1.052   0.255  -1.424
  339   3HG2  VAL  50          3HG2      VAL  50  -2.125  -0.972  -2.103
  340    H    TYR  51           H        TYR  51  -3.874  -1.148  -4.261
  341    HA   TYR  51           HA       TYR  51  -5.610  -2.639  -2.339
  342   1HB   TYR  51          2HB       TYR  51  -5.135  -3.012  -5.288
  343   2HB   TYR  51          1HB       TYR  51  -6.174  -4.021  -4.322
  344    HD1  TYR  51           1HD      TYR  51  -7.796  -2.299  -2.697
  345    HD2  TYR  51           2HD      TYR  51  -6.290  -1.532  -6.657
  346    HE1  TYR  51           1HE      TYR  51  -9.538  -0.588  -3.045
  347    HE2  TYR  51           2HE      TYR  51  -8.071   0.128  -6.992
  348    HH   TYR  51           HH       TYR  51 -10.493   0.815  -4.532
  349    H    VAL  52           H        VAL  52  -4.450  -3.918  -1.123
  350    HA   VAL  52           HA       VAL  52  -1.811  -4.963  -1.952
  351    HB   VAL  52           HB       VAL  52  -3.248  -5.516   0.650
  352   1HG1  VAL  52          1HG1      VAL  52  -1.196  -6.233   1.480
  353   2HG1  VAL  52          2HG1      VAL  52  -0.276  -5.273   0.323
  354   3HG1  VAL  52          3HG1      VAL  52  -1.073  -6.756  -0.200
  355   1HG2  VAL  52          1HG2      VAL  52  -3.189  -3.149   0.621
  356   2HG2  VAL  52          2HG2      VAL  52  -1.631  -3.110  -0.195
  357   3HG2  VAL  52          3HG2      VAL  52  -1.719  -3.592   1.494
  358    H    ASN  53           H        ASN  53  -1.549  -7.040  -2.745
  359    HA   ASN  53           HA       ASN  53  -3.632  -8.690  -3.544
  360   1HB   ASN  53          2HB       ASN  53  -1.438  -9.177  -4.289
  361   2HB   ASN  53          1HB       ASN  53  -0.837  -9.413  -2.654
  362   1HD2  ASN  53          1HD2      ASN  53  -0.192 -11.553  -3.950
  363   2HD2  ASN  53          2HD2      ASN  53  -1.304 -12.831  -3.826
  364    H    GLU  54           H        GLU  54  -5.069  -9.988  -2.534
  365    HA   GLU  54           HA       GLU  54  -5.503  -9.946   0.237
  366   1HB   GLU  54          2HB       GLU  54  -6.999 -11.912  -0.180
  367   2HB   GLU  54          1HB       GLU  54  -7.268 -10.565  -1.287
  368   1HG   GLU  54          2HG       GLU  54  -5.889 -11.657  -2.990
  369   2HG   GLU  54          1HG       GLU  54  -5.539 -12.985  -1.888
  370    H    ALA  55           H        ALA  55  -2.803 -11.251  -1.028
  371    HA   ALA  55           HA       ALA  55  -2.803 -13.725   0.620
  372   1HB   ALA  55          1HB       ALA  55  -0.475 -13.962  -0.448
  373   2HB   ALA  55          2HB       ALA  55  -0.935 -12.597  -1.462
  374   3HB   ALA  55          3HB       ALA  55  -1.865 -14.093  -1.523
  375    H    PHE  56           H        PHE  56  -1.565 -10.438   0.675
  376    HA   PHE  56           HA       PHE  56   0.196 -11.098   3.012
  377   1HB   PHE  56          2HB       PHE  56   0.139  -8.833   1.015
  378   2HB   PHE  56          1HB       PHE  56   1.215  -8.888   2.414
  379    HD1  PHE  56           1HD      PHE  56   0.253 -10.752  -0.669
  380    HD2  PHE  56           2HD      PHE  56   3.170 -10.203   2.391
  381    HE1  PHE  56           1HE      PHE  56   1.789 -12.303  -1.849
  382    HE2  PHE  56           2HE      PHE  56   4.712 -11.737   1.258
  383    HZ   PHE  56           HZ       PHE  56   4.026 -12.794  -0.893
  384    H    THR  57           H        THR  57  -2.791  -9.866   2.141
  385    HA   THR  57           HA       THR  57  -3.047  -7.650   3.988
  386    HB   THR  57           HB       THR  57  -5.523  -8.054   3.659
  387    HG1  THR  57           1HG      THR  57  -4.593 -10.047   1.873
  388   1HG2  THR  57          1HG2      THR  57  -4.680  -6.524   2.121
  389   2HG2  THR  57          2HG2      THR  57  -5.317  -7.772   1.060
  390   3HG2  THR  57          3HG2      THR  57  -3.589  -7.699   1.388
  391    H    ASP  58           H        ASP  58  -3.869 -11.095   4.136
  392    HA   ASP  58           HA       ASP  58  -4.901 -10.848   6.867
  393   1HB   ASP  58          2HB       ASP  58  -5.312 -13.238   6.728
  394   2HB   ASP  58          1HB       ASP  58  -5.828 -12.491   5.216
  395    H    LYS  59           H        LYS  59  -1.863 -10.796   5.659
  396    HA   LYS  59           HA       LYS  59  -0.702 -12.301   7.978
  397   1HB   LYS  59          2HB       LYS  59   0.935 -11.351   5.639
  398   2HB   LYS  59          1HB       LYS  59   1.173 -12.744   6.695
  399   1HG   LYS  59          2HG       LYS  59  -0.916 -13.756   5.696
  400   2HG   LYS  59          1HG       LYS  59  -0.913 -12.443   4.506
  401   1HD   LYS  59          2HD       LYS  59   1.072 -13.203   3.491
  402   2HD   LYS  59          1HD       LYS  59   1.589 -14.101   4.905
  403   1HE   LYS  59          2HE       LYS  59   0.194 -15.908   4.451
  404   2HE   LYS  59          1HE       LYS  59  -0.935 -14.938   3.507
  405   1HZ   LYS  59          1HZ       LYS  59   1.793 -15.107   2.503
  406   2HZ   LYS  59          2HZ       LYS  59   0.320 -15.103   1.654
  407   3HZ   LYS  59          3HZ       LYS  59   0.870 -16.526   2.402
  408    H    VAL  60           H        VAL  60  -0.621  -9.243   6.177
  409    HA   VAL  60           HA       VAL  60   1.188  -8.039   8.163
  410    HB   VAL  60           HB       VAL  60   0.508  -7.567   5.459
  411   1HG1  VAL  60          1HG1      VAL  60  -1.363  -6.149   6.244
  412   2HG1  VAL  60          2HG1      VAL  60  -0.190  -5.297   5.252
  413   3HG1  VAL  60          3HG1      VAL  60  -0.189  -5.075   6.996
  414   1HG2  VAL  60          1HG2      VAL  60   2.584  -6.654   7.300
  415   2HG2  VAL  60          2HG2      VAL  60   2.150  -5.395   6.160
  416   3HG2  VAL  60          3HG2      VAL  60   2.685  -6.970   5.570
  417    HA   PRO  61           HA       PRO  61  -1.816  -6.641  10.982
  418   1HB   PRO  61          2HB       PRO  61  -1.241  -3.820  11.058
  419   2HB   PRO  61          1HB       PRO  61  -0.709  -5.074  12.186
  420   1HG   PRO  61          2HG       PRO  61   0.808  -3.735  10.106
  421   2HG   PRO  61          1HG       PRO  61   1.384  -4.807  11.392
  422   1HD   PRO  61          2HD       PRO  61   1.233  -5.433   8.641
  423   2HD   PRO  61          1HD       PRO  61   1.520  -6.585   9.937
  424    H    ALA  62           H        ALA  62  -3.862  -6.713  10.331
  425    HA   ALA  62           HA       ALA  62  -4.971  -5.102   8.195
  426   1HB   ALA  62          1HB       ALA  62  -5.880  -7.334   8.560
  427   2HB   ALA  62          2HB       ALA  62  -7.136  -6.154   8.932
  428   3HB   ALA  62          3HB       ALA  62  -6.257  -6.946  10.233
  429    H    ALA  63           H        ALA  63  -5.312  -3.001   8.586
  430    HA   ALA  63           HA       ALA  63  -5.268  -1.669  10.998
  431   1HB   ALA  63          1HB       ALA  63  -5.763   0.207   9.717
  432   2HB   ALA  63          2HB       ALA  63  -6.964  -0.643   8.747
  433   3HB   ALA  63          3HB       ALA  63  -5.244  -0.915   8.453
  434    H    ASN  64           H        ASN  64  -6.765  -0.946  12.409
  435    HA   ASN  64           HA       ASN  64  -9.119  -2.521  12.880
  436   1HB   ASN  64          2HB       ASN  64  -9.620  -0.624  14.580
  437   2HB   ASN  64          1HB       ASN  64  -8.163  -1.588  14.812
  438   1HD2  ASN  64          1HD2      ASN  64  -6.081  -0.586  14.265
  439   2HD2  ASN  64          2HD2      ASN  64  -5.945   1.096  14.087
  440    H    GLU  65           H        GLU  65 -11.138  -0.818  13.573
  441    HA   GLU  65           HA       GLU  65 -12.423  -0.316  11.059
  442   1HB   GLU  65          2HB       GLU  65 -14.286   0.487  12.393
  443   2HB   GLU  65          1HB       GLU  65 -13.607  -0.957  13.146
  444   1HG   GLU  65          2HG       GLU  65 -12.179   0.628  14.562
  445   2HG   GLU  65          1HG       GLU  65 -13.227   1.924  13.981
  446    H    ARG  66           H        ARG  66 -10.174   1.657  12.674
  447    HA   ARG  66           HA       ARG  66 -11.385   4.213  12.206
  448   1HB   ARG  66          2HB       ARG  66  -8.514   3.318  12.502
  449   2HB   ARG  66          1HB       ARG  66  -8.935   4.997  12.205
  450   1HG   ARG  66          2HG       ARG  66 -10.508   4.813  14.234
  451   2HG   ARG  66          1HG       ARG  66  -9.678   3.297  14.594
  452   1HD   ARG  66          2HD       ARG  66  -8.502   6.076  14.464
  453   2HD   ARG  66          1HD       ARG  66  -8.514   4.971  15.835
  454    HE   ARG  66           HE       ARG  66  -6.803   4.703  13.401
  455   1HH1  ARG  66          1HH2      ARG  66  -7.659   3.721  16.626
  456   2HH1  ARG  66          2HH2      ARG  66  -6.309   2.654  16.784
  457   1HH2  ARG  66          1HH1      ARG  66  -5.070   3.309  13.602
  458   2HH2  ARG  66          2HH1      ARG  66  -4.850   2.417  15.076
  459    H    GLU  67           H        GLU  67  -9.188   2.227  10.213
  460    HA   GLU  67           HA       GLU  67  -9.172   4.131   8.020
  461   1HB   GLU  67          2HB       GLU  67  -8.280   1.268   8.358
  462   2HB   GLU  67          1HB       GLU  67  -8.292   2.014   6.757
  463   1HG   GLU  67          2HG       GLU  67  -6.085   2.231   7.870
  464   2HG   GLU  67          1HG       GLU  67  -6.820   3.801   7.549
  465    H    ILE  68           H        ILE  68 -10.959   1.178   8.773
  466    HA   ILE  68           HA       ILE  68 -12.278   0.712   6.359
  467    HB   ILE  68           HB       ILE  68 -13.531   0.560   9.116
  468   1HG1  ILE  68          2HG1      ILE  68 -11.918  -1.417   7.472
  469   2HG1  ILE  68          1HG1      ILE  68 -11.428  -0.685   8.990
  470   1HG2  ILE  68          1HG2      ILE  68 -15.144   0.411   7.196
  471   2HG2  ILE  68          2HG2      ILE  68 -15.027  -1.093   8.096
  472   3HG2  ILE  68          3HG2      ILE  68 -14.195  -0.926   6.546
  473   1HD1  ILE  68          1HD1      ILE  68 -13.743  -1.782   9.814
  474   2HD1  ILE  68          2HD1      ILE  68 -12.232  -2.692   9.799
  475   3HD1  ILE  68          3HD1      ILE  68 -13.387  -2.878   8.477
  476    H    GLY  69           H        GLY  69 -12.711   3.410   8.545
  477   1HA   GLY  69          2HA       GLY  69 -15.240   4.245   7.306
  478   2HA   GLY  69          1HA       GLY  69 -14.324   5.158   8.504
  479    H    MET  70           H        MET  70 -11.821   5.210   7.143
  480    HA   MET  70           HA       MET  70 -12.317   7.387   5.249
  481   1HB   MET  70          2HB       MET  70  -9.808   5.860   6.039
  482   2HB   MET  70          1HB       MET  70  -9.799   7.143   4.831
  483   1HG   MET  70          2HG       MET  70  -9.218   8.247   6.840
  484   2HG   MET  70          1HG       MET  70 -10.934   8.597   6.650
  485   1HE   MET  70          1HE       MET  70  -8.817   5.817   9.574
  486   2HE   MET  70          2HE       MET  70  -8.337   7.484   9.266
  487   3HE   MET  70          3HE       MET  70  -8.301   6.310   7.955
  488    H    LEU  71           H        LEU  71 -11.558   3.969   5.096
  489    HA   LEU  71           HA       LEU  71 -11.063   3.801   2.269
  490   1HB   LEU  71          2HB       LEU  71 -12.037   1.847   4.354
  491   2HB   LEU  71          1HB       LEU  71 -11.851   1.366   2.681
  492    HG   LEU  71           HG       LEU  71  -9.651   2.534   4.405
  493   1HD1  LEU  71          1HD1      LEU  71  -8.852   0.375   4.788
  494   2HD1  LEU  71          2HD1      LEU  71  -9.697  -0.300   3.396
  495   3HD1  LEU  71          3HD1      LEU  71 -10.590   0.107   4.860
  496   1HD2  LEU  71          1HD2      LEU  71  -8.329   1.380   2.355
  497   2HD2  LEU  71          2HD2      LEU  71  -8.891   3.043   2.270
  498   3HD2  LEU  71          3HD2      LEU  71  -9.824   1.761   1.512
  499    H    GLU  72           H        GLU  72 -13.972   4.030   4.193
  500    HA   GLU  72           HA       GLU  72 -15.731   3.219   2.001
  501   1HB   GLU  72          2HB       GLU  72 -16.326   2.952   4.429
  502   2HB   GLU  72          1HB       GLU  72 -16.400   4.709   4.571
  503   1HG   GLU  72          2HG       GLU  72 -18.283   4.858   3.144
  504   2HG   GLU  72          1HG       GLU  72 -18.020   3.245   2.478
  505    H    CYS  73           H        CYS  73 -13.781   5.798   2.412
  506    HA   CYS  73           HA       CYS  73 -15.656   7.712   1.050
  507   1HB   CYS  73          2HB       CYS  73 -14.128   7.976   3.457
  508   2HB   CYS  73          1HB       CYS  73 -13.403   9.057   2.273
  509    HG   CYS  73           HG       CYS  73 -15.276  10.543   2.991
  510    H    VAL  74           H        VAL  74 -13.760   5.671  -0.225
  511    HA   VAL  74           HA       VAL  74 -11.773   7.501  -1.475
  512    HB   VAL  74           HB       VAL  74 -10.886   5.464  -2.533
  513   1HG1  VAL  74          1HG1      VAL  74 -11.351   5.248   0.447
  514   2HG1  VAL  74          2HG1      VAL  74 -10.081   6.190  -0.328
  515   3HG1  VAL  74          3HG1      VAL  74 -10.073   4.430  -0.446
  516   1HG2  VAL  74          1HG2      VAL  74 -11.798   3.287  -1.868
  517   2HG2  VAL  74          2HG2      VAL  74 -13.034   4.232  -2.682
  518   3HG2  VAL  74          3HG2      VAL  74 -13.053   4.088  -0.925
  519    H    THR  75           H        THR  75 -11.534   7.246  -3.927
  520    HA   THR  75           HA       THR  75 -14.255   7.422  -5.160
  521    HB   THR  75           HB       THR  75 -11.678   8.403  -6.397
  522    HG1  THR  75           1HG      THR  75 -12.062  10.349  -5.348
  523   1HG2  THR  75          1HG2      THR  75 -13.287  10.064  -7.389
  524   2HG2  THR  75          2HG2      THR  75 -14.607   9.174  -6.640
  525   3HG2  THR  75          3HG2      THR  75 -13.611   8.398  -7.866
  526    H    ALA  76           H        ALA  76 -11.616   5.222  -5.088
  527    HA   ALA  76           HA       ALA  76 -12.213   4.288  -7.870
  528   1HB   ALA  76          1HB       ALA  76  -9.813   4.372  -6.187
  529   2HB   ALA  76          2HB       ALA  76  -9.939   4.244  -7.935
  530   3HB   ALA  76          3HB       ALA  76 -10.050   2.798  -6.944
  531    H    GLU  77           H        GLU  77 -11.968   1.790  -8.033
  532    HA   GLU  77           HA       GLU  77 -14.138   0.558  -6.802
  533   1HB   GLU  77          2HB       GLU  77 -13.613  -0.784  -8.562
  534   2HB   GLU  77          1HB       GLU  77 -12.018  -0.065  -8.647
  535   1HG   GLU  77          2HG       GLU  77 -11.069  -1.760  -7.249
  536   2HG   GLU  77          1HG       GLU  77 -12.657  -2.322  -6.714
  537    H    LEU  78           H        LEU  78 -14.255   0.374  -4.519
  538    HA   LEU  78           HA       LEU  78 -11.869  -0.212  -2.975
  539   1HB   LEU  78          2HB       LEU  78 -14.086   0.915  -2.152
  540   2HB   LEU  78          1HB       LEU  78 -14.673  -0.740  -1.977
  541    HG   LEU  78           HG       LEU  78 -12.378  -1.109  -0.690
  542   1HD1  LEU  78          1HD1      LEU  78 -11.676   0.873   0.520
  543   2HD1  LEU  78          2HD1      LEU  78 -12.832   1.849  -0.357
  544   3HD1  LEU  78          3HD1      LEU  78 -11.473   1.114  -1.199
  545   1HD2  LEU  78          1HD2      LEU  78 -14.640   0.467   0.568
  546   2HD2  LEU  78          2HD2      LEU  78 -13.492  -0.573   1.405
  547   3HD2  LEU  78          3HD2      LEU  78 -14.663  -1.275   0.296
  548    H    LYS  79           H        LYS  79 -11.339  -2.047  -1.949
  549    HA   LYS  79           HA       LYS  79 -12.324  -4.569  -3.211
  550   1HB   LYS  79          2HB       LYS  79  -9.686  -3.475  -2.327
  551   2HB   LYS  79          1HB       LYS  79  -9.887  -5.220  -2.333
  552   1HG   LYS  79          2HG       LYS  79 -10.573  -3.549  -4.756
  553   2HG   LYS  79          1HG       LYS  79  -8.922  -4.073  -4.458
  554   1HD   LYS  79          2HD       LYS  79  -9.774  -6.444  -4.305
  555   2HD   LYS  79          1HD       LYS  79 -11.346  -5.854  -4.844
  556   1HE   LYS  79          2HE       LYS  79  -8.776  -5.426  -6.384
  557   2HE   LYS  79          1HE       LYS  79  -9.912  -6.735  -6.712
  558   1HZ   LYS  79          1HZ       LYS  79 -10.294  -4.807  -8.129
  559   2HZ   LYS  79          2HZ       LYS  79 -10.569  -3.839  -6.762
  560   3HZ   LYS  79          3HZ       LYS  79 -11.631  -5.113  -7.136
  561    HA   PRO  80           HA       PRO  80 -13.550  -5.953   0.827
  562   1HB   PRO  80          2HB       PRO  80 -12.402  -8.526   0.859
  563   2HB   PRO  80          1HB       PRO  80 -13.989  -8.122   0.176
  564   1HG   PRO  80          2HG       PRO  80 -11.376  -8.506  -1.199
  565   2HG   PRO  80          1HG       PRO  80 -13.013  -8.908  -1.746
  566   1HD   PRO  80          2HD       PRO  80 -11.675  -6.747  -2.700
  567   2HD   PRO  80          1HD       PRO  80 -13.442  -6.737  -2.490
  568    H    ASN  81           H        ASN  81 -10.270  -6.010  -0.228
  569    HA   ASN  81           HA       ASN  81  -9.283  -5.855   2.599
  570   1HB   ASN  81          2HB       ASN  81  -7.342  -7.021   1.989
  571   2HB   ASN  81          1HB       ASN  81  -8.584  -7.850   1.057
  572   1HD2  ASN  81          1HD2      ASN  81  -8.656  -7.422  -1.288
  573   2HD2  ASN  81          2HD2      ASN  81  -7.333  -6.728  -2.088
  574    H    SER  82           H        SER  82 -10.177  -3.544   0.746
  575    HA   SER  82           HA       SER  82  -7.915  -2.214  -0.274
  576   1HB   SER  82          2HB       SER  82 -10.500  -1.207   0.906
  577   2HB   SER  82          1HB       SER  82  -9.296  -0.130   0.197
  578    HG   SER  82           HG       SER  82 -10.476  -0.632  -1.508
  579    H    ARG  83           H        ARG  83  -6.730  -0.424   0.726
  580    HA   ARG  83           HA       ARG  83  -6.900   0.017   3.595
  581   1HB   ARG  83          2HB       ARG  83  -5.361  -2.259   2.664
  582   2HB   ARG  83          1HB       ARG  83  -4.271  -1.116   3.436
  583   1HG   ARG  83          2HG       ARG  83  -5.359  -1.267   5.515
  584   2HG   ARG  83          1HG       ARG  83  -6.850  -1.890   4.814
  585   1HD   ARG  83          2HD       ARG  83  -5.807  -3.746   5.883
  586   2HD   ARG  83          1HD       ARG  83  -5.525  -3.976   4.164
  587    HE   ARG  83           HE       ARG  83  -3.212  -3.527   4.517
  588   1HH1  ARG  83          1HH2      ARG  83  -5.130  -2.777   7.233
  589   2HH1  ARG  83          2HH2      ARG  83  -3.802  -2.738   8.337
  590   1HH2  ARG  83          1HH1      ARG  83  -1.435  -3.511   5.935
  591   2HH2  ARG  83          2HH1      ARG  83  -1.710  -3.159   7.606
  592    H    LEU  84           H        LEU  84  -5.255   1.435   4.419
  593    HA   LEU  84           HA       LEU  84  -4.352   3.373   2.400
  594   1HB   LEU  84          2HB       LEU  84  -4.217   3.307   5.429
  595   2HB   LEU  84          1HB       LEU  84  -3.659   4.663   4.473
  596    HG   LEU  84           HG       LEU  84  -5.914   5.091   5.305
  597   1HD1  LEU  84          1HD1      LEU  84  -5.168   5.663   2.852
  598   2HD1  LEU  84          2HD1      LEU  84  -6.845   5.890   3.338
  599   3HD1  LEU  84          3HD1      LEU  84  -6.389   4.469   2.407
  600   1HD2  LEU  84          1HD2      LEU  84  -7.718   3.648   5.085
  601   2HD2  LEU  84          2HD2      LEU  84  -6.406   2.490   5.281
  602   3HD2  LEU  84          3HD2      LEU  84  -7.046   2.834   3.680
  603    H    CYS  85           H        CYS  85  -2.321   3.240   1.536
  604    HA   CYS  85           HA       CYS  85  -0.542   1.133   2.210
  605   1HB   CYS  85          2HB       CYS  85  -0.792   2.812   0.086
  606   2HB   CYS  85          1HB       CYS  85   0.666   3.465   0.827
  607    HG   CYS  85           HG       CYS  85   0.386   0.620  -0.380
  608    H    CYS  86           H        CYS  86  -0.786   4.237   3.779
  609    HA   CYS  86           HA       CYS  86   2.036   4.231   4.586
  610   1HB   CYS  86          2HB       CYS  86   1.356   6.107   6.072
  611   2HB   CYS  86          1HB       CYS  86   0.882   6.356   4.387
  612    H    GLN  87           H        GLN  87  -1.054   3.472   6.206
  613    HA   GLN  87           HA       GLN  87   0.282   2.821   8.702
  614   1HB   GLN  87          2HB       GLN  87  -1.933   1.946   9.389
  615   2HB   GLN  87          1HB       GLN  87  -2.037   3.566   8.705
  616   1HG   GLN  87          2HG       GLN  87  -3.780   2.495   7.582
  617   2HG   GLN  87          1HG       GLN  87  -2.453   2.289   6.441
  618   1HE2  GLN  87          1HE2      GLN  87  -3.017   0.262   5.551
  619   2HE2  GLN  87          2HE2      GLN  87  -3.154  -1.158   6.468
  620    H    ILE  88           H        ILE  88   1.230   1.334   6.278
  621    HA   ILE  88           HA       ILE  88   0.656  -1.459   7.229
  622    HB   ILE  88           HB       ILE  88   1.569  -0.647   4.447
  623   1HG1  ILE  88          2HG1      ILE  88  -1.169  -1.415   5.507
  624   2HG1  ILE  88          1HG1      ILE  88  -0.693   0.173   4.925
  625   1HG2  ILE  88          1HG2      ILE  88   0.856  -3.037   3.985
  626   2HG2  ILE  88          2HG2      ILE  88   0.693  -3.241   5.732
  627   3HG2  ILE  88          3HG2      ILE  88   2.267  -2.880   5.030
  628   1HD1  ILE  88          1HD1      ILE  88  -0.061  -1.104   2.721
  629   2HD1  ILE  88          2HD1      ILE  88  -1.755  -0.729   3.051
  630   3HD1  ILE  88          3HD1      ILE  88  -1.135  -2.347   3.368
  631    H    ILE  89           H        ILE  89   2.489  -2.867   7.385
  632    HA   ILE  89           HA       ILE  89   5.172  -1.531   7.334
  633    HB   ILE  89           HB       ILE  89   3.744  -2.889   9.599
  634   1HG1  ILE  89          2HG1      ILE  89   5.211  -1.337  10.928
  635   2HG1  ILE  89          1HG1      ILE  89   5.905  -0.766   9.415
  636   1HG2  ILE  89          1HG2      ILE  89   6.001  -3.465  10.641
  637   2HG2  ILE  89          2HG2      ILE  89   6.693  -3.315   9.025
  638   3HG2  ILE  89          3HG2      ILE  89   5.464  -4.537   9.355
  639   1HD1  ILE  89          1HD1      ILE  89   4.104   0.530   8.947
  640   2HD1  ILE  89          2HD1      ILE  89   3.723   0.348  10.655
  641   3HD1  ILE  89          3HD1      ILE  89   2.948  -0.697   9.466
  642    H    MET  90           H        MET  90   6.567  -2.695   6.111
  643    HA   MET  90           HA       MET  90   5.777  -5.401   5.243
  644   1HB   MET  90          2HB       MET  90   7.030  -3.321   3.950
  645   2HB   MET  90          1HB       MET  90   8.404  -4.350   4.351
  646   1HG   MET  90          2HG       MET  90   7.517  -4.992   2.166
  647   2HG   MET  90          1HG       MET  90   7.201  -6.283   3.321
  648   1HE   MET  90          1HE       MET  90   5.429  -7.452   2.164
  649   2HE   MET  90          2HE       MET  90   3.748  -7.040   2.499
  650   3HE   MET  90          3HE       MET  90   4.884  -7.229   3.831
  651    H    THR  91           H        THR  91   7.353  -7.170   5.285
  652    HA   THR  91           HA       THR  91   9.467  -7.038   7.325
  653    HB   THR  91           HB       THR  91   8.473  -9.139   8.415
  654    HG1  THR  91           1HG      THR  91   6.625  -8.563   6.534
  655   1HG2  THR  91          1HG2      THR  91   7.047  -7.862   9.905
  656   2HG2  THR  91          2HG2      THR  91   6.891  -6.580   8.705
  657   3HG2  THR  91          3HG2      THR  91   8.452  -6.892   9.472
  658    HA   PRO  92           HA       PRO  92  11.372  -9.741   4.407
  659   1HB   PRO  92          2HB       PRO  92  12.634 -11.556   6.154
  660   2HB   PRO  92          1HB       PRO  92  13.311 -10.019   5.600
  661   1HG   PRO  92          2HG       PRO  92  11.947 -10.673   8.164
  662   2HG   PRO  92          1HG       PRO  92  13.286  -9.553   7.848
  663   1HD   PRO  92          2HD       PRO  92  10.768  -8.671   8.278
  664   2HD   PRO  92          1HD       PRO  92  11.864  -7.836   7.150
  665    H    GLU  93           H        GLU  93   9.696 -11.363   7.103
  666    HA   GLU  93           HA       GLU  93   9.350 -13.880   5.777
  667   1HB   GLU  93          2HB       GLU  93   7.258 -13.926   7.415
  668   2HB   GLU  93          1HB       GLU  93   8.894 -14.000   8.068
  669   1HG   GLU  93          2HG       GLU  93   8.882 -11.715   8.683
  670   2HG   GLU  93          1HG       GLU  93   7.487 -11.359   7.661
  671    H    LEU  94           H        LEU  94   7.735 -10.809   5.442
  672    HA   LEU  94           HA       LEU  94   5.578 -12.037   3.782
  673   1HB   LEU  94          2HB       LEU  94   5.894  -9.247   4.955
  674   2HB   LEU  94          1HB       LEU  94   4.540  -9.738   3.988
  675    HG   LEU  94           HG       LEU  94   5.290 -10.633   6.755
  676   1HD1  LEU  94          1HD1      LEU  94   3.774  -8.745   6.588
  677   2HD1  LEU  94          2HD1      LEU  94   2.869 -10.147   7.152
  678   3HD1  LEU  94          3HD1      LEU  94   2.733  -9.633   5.467
  679   1HD2  LEU  94          1HD2      LEU  94   3.502 -12.113   4.799
  680   2HD2  LEU  94          2HD2      LEU  94   3.372 -12.295   6.552
  681   3HD2  LEU  94          3HD2      LEU  94   4.855 -12.760   5.742
  682    H    ASP  95           H        ASP  95   8.520 -11.472   3.136
  683    HA   ASP  95           HA       ASP  95   8.639  -9.439   1.150
  684   1HB   ASP  95          2HB       ASP  95  10.620 -10.629   0.333
  685   2HB   ASP  95          1HB       ASP  95  10.616 -10.626   2.097
  686    H    GLY  96           H        GLY  96   8.106  -9.434  -1.014
  687   1HA   GLY  96          2HA       GLY  96   7.682 -10.544  -3.137
  688   2HA   GLY  96          1HA       GLY  96   7.065 -11.940  -2.258
  689    H    ILE  97           H        ILE  97   5.969  -9.080  -0.850
  690    HA   ILE  97           HA       ILE  97   3.270  -9.673  -1.513
  691    HB   ILE  97           HB       ILE  97   3.984  -8.509   0.539
  692   1HG1  ILE  97          2HG1      ILE  97   1.607  -8.329  -0.657
  693   2HG1  ILE  97          1HG1      ILE  97   1.966  -7.421   0.795
  694   1HG2  ILE  97          1HG2      ILE  97   4.481  -6.191  -1.334
  695   2HG2  ILE  97          2HG2      ILE  97   5.645  -6.993  -0.288
  696   3HG2  ILE  97          3HG2      ILE  97   4.337  -6.038   0.395
  697   1HD1  ILE  97          1HD1      ILE  97   0.901  -6.284  -1.371
  698   2HD1  ILE  97          2HD1      ILE  97   2.594  -6.072  -1.782
  699   3HD1  ILE  97          3HD1      ILE  97   1.973  -5.421  -0.276
  700    H    VAL  98           H        VAL  98   1.873  -8.909  -3.010
  701    HA   VAL  98           HA       VAL  98   3.008  -7.113  -5.131
  702    HB   VAL  98           HB       VAL  98   0.494  -8.762  -5.326
  703   1HG1  VAL  98          1HG1      VAL  98   0.840  -7.129  -7.092
  704   2HG1  VAL  98          2HG1      VAL  98   1.133  -8.739  -7.748
  705   3HG1  VAL  98          3HG1      VAL  98   2.493  -7.693  -7.340
  706   1HG2  VAL  98          1HG2      VAL  98   3.358  -9.640  -5.791
  707   2HG2  VAL  98          2HG2      VAL  98   1.955 -10.527  -6.382
  708   3HG2  VAL  98          3HG2      VAL  98   2.209 -10.337  -4.646
  709    H    VAL  99           H        VAL  99   2.304  -4.954  -4.967
  710    HA   VAL  99           HA       VAL  99  -0.307  -4.441  -3.602
  711    HB   VAL  99           HB       VAL  99   1.688  -2.334  -4.454
  712   1HG1  VAL  99          1HG1      VAL  99  -0.314  -2.572  -2.194
  713   2HG1  VAL  99          2HG1      VAL  99  -0.494  -1.602  -3.654
  714   3HG1  VAL  99          3HG1      VAL  99   0.739  -1.184  -2.467
  715   1HG2  VAL  99          1HG2      VAL  99   2.917  -2.533  -2.422
  716   2HG2  VAL  99          2HG2      VAL  99   2.873  -4.152  -3.104
  717   3HG2  VAL  99          3HG2      VAL  99   1.795  -3.719  -1.780
  718    H    ASP 100           H        ASP 100  -1.949  -3.566  -4.760
  719    HA   ASP 100           HA       ASP 100  -1.511  -3.044  -7.666
  720   1HB   ASP 100          2HB       ASP 100  -3.626  -4.342  -6.077
  721   2HB   ASP 100          1HB       ASP 100  -4.232  -3.282  -7.359
  722    H    VAL 101           H        VAL 101  -1.351  -0.978  -8.126
  723    HA   VAL 101           HA       VAL 101  -2.704   1.060  -6.433
  724    HB   VAL 101           HB       VAL 101  -0.602   1.456  -8.573
  725   1HG1  VAL 101          1HG1      VAL 101  -1.584   3.217  -6.305
  726   2HG1  VAL 101          2HG1      VAL 101  -1.937   3.454  -8.017
  727   3HG1  VAL 101          3HG1      VAL 101  -0.283   3.621  -7.432
  728   1HG2  VAL 101          1HG2      VAL 101   0.352   0.061  -6.845
  729   2HG2  VAL 101          2HG2      VAL 101  -0.370   1.052  -5.584
  730   3HG2  VAL 101          3HG2      VAL 101   0.931   1.704  -6.580
  731    HA   PRO 102           HA       PRO 102  -5.477   1.446 -10.034
  732   1HB   PRO 102          2HB       PRO 102  -7.304   3.125  -8.984
  733   2HB   PRO 102          1HB       PRO 102  -7.156   1.453  -8.428
  734   1HG   PRO 102          2HG       PRO 102  -6.113   3.935  -7.161
  735   2HG   PRO 102          1HG       PRO 102  -6.917   2.536  -6.427
  736   1HD   PRO 102          2HD       PRO 102  -4.172   2.891  -6.440
  737   2HD   PRO 102          1HD       PRO 102  -4.977   1.309  -6.301
  738    H    ASP 103           H        ASP 103  -6.402   3.220 -11.364
  739    HA   ASP 103           HA       ASP 103  -4.401   5.253 -11.944
  740   1HB   ASP 103          2HB       ASP 103  -5.778   4.129 -13.707
  741   2HB   ASP 103          1HB       ASP 103  -7.196   4.971 -13.084
  742    H    ARG 104           H        ARG 104  -7.143   5.093  -9.885
  743    HA   ARG 104           HA       ARG 104  -7.131   8.081  -9.550
  744   1HB   ARG 104          2HB       ARG 104  -9.457   6.199  -9.057
  745   2HB   ARG 104          1HB       ARG 104  -9.482   7.953  -8.934
  746   1HG   ARG 104          2HG       ARG 104  -9.579   8.267 -11.223
  747   2HG   ARG 104          1HG       ARG 104  -8.561   6.873 -11.571
  748   1HD   ARG 104          2HD       ARG 104 -11.487   6.803 -10.788
  749   2HD   ARG 104          1HD       ARG 104 -10.812   6.435 -12.370
  750    HE   ARG 104           HE       ARG 104  -9.565   4.713 -10.482
  751   1HH1  ARG 104          1HH2      ARG 104 -12.641   5.450 -11.827
  752   2HH1  ARG 104          2HH2      ARG 104 -13.241   3.830 -11.711
  753   1HH2  ARG 104          1HH1      ARG 104 -10.311   2.575 -10.299
  754   2HH2  ARG 104          2HH1      ARG 104 -11.912   2.192 -10.844
  755    H    GLN 105           H        GLN 105  -5.596   8.021  -7.897
  756    HA   GLN 105           HA       GLN 105  -5.905   6.186  -5.639
  757   1HB   GLN 105          2HB       GLN 105  -3.706   7.149  -6.650
  758   2HB   GLN 105          1HB       GLN 105  -4.076   8.596  -5.714
  759   1HG   GLN 105          2HG       GLN 105  -4.241   7.157  -3.666
  760   2HG   GLN 105          1HG       GLN 105  -3.700   5.788  -4.639
  761   1HE2  GLN 105          1HE2      GLN 105  -1.478   5.457  -4.548
  762   2HE2  GLN 105          2HE2      GLN 105  -0.320   6.667  -4.266
  763    H    TRP 106           H        TRP 106  -7.083   9.303  -6.482
  764    HA   TRP 106           HA       TRP 106  -8.171  10.968  -5.236
  765   1HB   TRP 106          2HB       TRP 106  -9.705   8.989  -5.254
  766   2HB   TRP 106          1HB       TRP 106  -9.033   8.510  -3.699
  767    HD1  TRP 106           HD       TRP 106 -10.365   9.286  -1.755
  768    HE1  TRP 106           1HE      TRP 106 -12.033  11.219  -1.267
  769    HE3  TRP 106           3HE      TRP 106 -10.103  11.827  -6.165
  770    HZ2  TRP 106           2HZ      TRP 106 -13.031  13.546  -2.543
  771    HZ3  TRP 106           3HZ      TRP 106 -11.408  13.904  -6.504
  772    HH2  TRP 106           HH       TRP 106 -12.872  14.767  -4.693
  Start of MODEL    7
    1   1H    SER   1          1HT       SER   1  12.189  -7.636   3.388
    2   2H    SER   1          2HT       SER   1  11.594  -6.310   2.507
    3   3H    SER   1          3HT       SER   1  12.842  -7.268   1.861
    4    HA   SER   1           HA       SER   1  11.304  -9.185   1.832
    5   1HB   SER   1          2HB       SER   1   8.887  -7.522   1.914
    6   2HB   SER   1          1HB       SER   1   9.246  -9.006   2.786
    7    HG   SER   1           HG       SER   1  10.715  -7.429   4.022
    8    H    LYS   2           H        LYS   2  10.312  -9.582  -0.254
    9    HA   LYS   2           HA       LYS   2  11.087  -7.627  -2.261
   10   1HB   LYS   2          2HB       LYS   2   9.972 -10.401  -2.198
   11   2HB   LYS   2          1HB       LYS   2   9.630  -9.465  -3.648
   12   1HG   LYS   2          2HG       LYS   2  12.440  -9.634  -2.556
   13   2HG   LYS   2          1HG       LYS   2  11.795 -10.921  -3.571
   14   1HD   LYS   2          2HD       LYS   2  11.229  -9.165  -5.299
   15   2HD   LYS   2          1HD       LYS   2  12.087  -7.992  -4.308
   16   1HE   LYS   2          2HE       LYS   2  13.402 -10.558  -5.190
   17   2HE   LYS   2          1HE       LYS   2  13.426  -9.109  -6.195
   18   1HZ   LYS   2          1HZ       LYS   2  14.392  -7.902  -4.311
   19   2HZ   LYS   2          2HZ       LYS   2  15.379  -9.188  -4.819
   20   3HZ   LYS   2          3HZ       LYS   2  14.437  -9.341  -3.409
   21    H    VAL   3           H        VAL   3   9.806  -5.893  -2.704
   22    HA   VAL   3           HA       VAL   3   6.843  -6.180  -2.326
   23    HB   VAL   3           HB       VAL   3   8.688  -3.796  -2.070
   24   1HG1  VAL   3          1HG1      VAL   3   6.515  -3.148  -3.083
   25   2HG1  VAL   3          2HG1      VAL   3   6.711  -2.512  -1.453
   26   3HG1  VAL   3          3HG1      VAL   3   5.678  -3.914  -1.735
   27   1HG2  VAL   3          1HG2      VAL   3   7.185  -5.546  -0.142
   28   2HG2  VAL   3          2HG2      VAL   3   7.542  -3.889   0.278
   29   3HG2  VAL   3          3HG2      VAL   3   8.854  -5.010  -0.070
   30    H    VAL   4           H        VAL   4   5.933  -6.501  -4.286
   31    HA   VAL   4           HA       VAL   4   7.031  -5.026  -6.631
   32    HB   VAL   4           HB       VAL   4   4.971  -7.215  -6.536
   33   1HG1  VAL   4          1HG1      VAL   4   5.266  -7.383  -8.900
   34   2HG1  VAL   4          2HG1      VAL   4   6.662  -6.311  -8.854
   35   3HG1  VAL   4          3HG1      VAL   4   5.050  -5.665  -8.570
   36   1HG2  VAL   4          1HG2      VAL   4   7.959  -7.265  -6.952
   37   2HG2  VAL   4          2HG2      VAL   4   6.904  -8.609  -7.392
   38   3HG2  VAL   4          3HG2      VAL   4   7.037  -8.108  -5.701
   39    H    TYR   5           H        TYR   5   6.250  -3.047  -6.298
   40    HA   TYR   5           HA       TYR   5   3.476  -2.345  -5.769
   41   1HB   TYR   5          2HB       TYR   5   5.670  -0.701  -7.059
   42   2HB   TYR   5          1HB       TYR   5   4.086  -0.072  -6.616
   43    HD1  TYR   5           1HD      TYR   5   7.288  -1.347  -5.387
   44    HD2  TYR   5           2HD      TYR   5   3.464   0.230  -4.259
   45    HE1  TYR   5           1HE      TYR   5   8.110  -0.971  -3.101
   46    HE2  TYR   5           2HE      TYR   5   4.309   0.638  -1.971
   47    HH   TYR   5           HH       TYR   5   6.082   0.556  -0.605
   48    H    VAL   6           H        VAL   6   1.906  -2.910  -7.205
   49    HA   VAL   6           HA       VAL   6   2.604  -3.062 -10.107
   50    HB   VAL   6           HB       VAL   6   0.178  -4.043  -8.592
   51   1HG1  VAL   6          1HG1      VAL   6   1.011  -4.272 -11.481
   52   2HG1  VAL   6          2HG1      VAL   6  -0.484  -3.585 -10.846
   53   3HG1  VAL   6          3HG1      VAL   6  -0.199  -5.323 -10.747
   54   1HG2  VAL   6          1HG2      VAL   6   2.680  -5.376  -9.622
   55   2HG2  VAL   6          2HG2      VAL   6   1.229  -6.282  -9.189
   56   3HG2  VAL   6          3HG2      VAL   6   2.079  -5.336  -7.971
   57    H    SER   7           H        SER   7   2.198  -1.300 -11.241
   58    HA   SER   7           HA       SER   7   0.472   0.821 -10.266
   59   1HB   SER   7          2HB       SER   7   1.051   1.932 -12.409
   60   2HB   SER   7          1HB       SER   7   2.492   1.328 -11.593
   61    HG   SER   7           HG       SER   7   2.551  -0.377 -13.002
   62    H    HIS   8           H        HIS   8  -0.731   1.570 -12.776
   63    HA   HIS   8           HA       HIS   8  -2.998  -0.342 -12.748
   64   1HB   HIS   8          2HB       HIS   8  -3.737   1.679 -14.500
   65   2HB   HIS   8          1HB       HIS   8  -4.076   1.679 -12.776
   66    HD1  HIS   8           1HD      HIS   8  -1.569   2.470 -11.451
   67    HD2  HIS   8           2HD      HIS   8  -2.680   4.150 -15.102
   68    HE1  HIS   8           1HE      HIS   8  -0.332   4.678 -11.629
   69    HE2  HIS   8           2HE      HIS   8  -0.996   5.704 -13.854
   70    H    ASP   9           H        ASP   9  -0.835   1.215 -15.133
   71    HA   ASP   9           HA       ASP   9  -1.838  -0.258 -17.363
   72   1HB   ASP   9          2HB       ASP   9   0.457   0.360 -18.359
   73   2HB   ASP   9          1HB       ASP   9  -0.585   1.691 -17.849
   74    H    GLY  10           H        GLY  10  -0.363  -1.550 -14.692
   75   1HA   GLY  10          2HA       GLY  10   0.174  -3.878 -14.509
   76   2HA   GLY  10          1HA       GLY  10   0.483  -3.932 -16.247
   77    H    THR  11           H        THR  11   2.006  -1.193 -15.252
   78    HA   THR  11           HA       THR  11   4.614  -2.381 -15.488
   79    HB   THR  11           HB       THR  11   3.523   0.253 -15.428
   80    HG1  THR  11           1HG      THR  11   5.381   0.679 -16.493
   81   1HG2  THR  11          1HG2      THR  11   4.232   0.437 -13.069
   82   2HG2  THR  11          2HG2      THR  11   5.207   1.474 -14.111
   83   3HG2  THR  11          3HG2      THR  11   5.866  -0.054 -13.521
   84    H    ARG  12           H        ARG  12   5.830  -3.307 -13.954
   85    HA   ARG  12           HA       ARG  12   4.864  -3.246 -11.113
   86   1HB   ARG  12          2HB       ARG  12   6.654  -5.252 -12.519
   87   2HB   ARG  12          1HB       ARG  12   6.048  -5.379 -10.869
   88   1HG   ARG  12          2HG       ARG  12   3.881  -5.904 -11.537
   89   2HG   ARG  12          1HG       ARG  12   4.019  -5.020 -13.054
   90   1HD   ARG  12          2HD       ARG  12   5.628  -7.519 -12.550
   91   2HD   ARG  12          1HD       ARG  12   3.980  -7.593 -13.181
   92    HE   ARG  12           HE       ARG  12   5.689  -5.751 -14.658
   93   1HH1  ARG  12          1HH2      ARG  12   4.744  -9.027 -14.171
   94   2HH1  ARG  12          2HH2      ARG  12   4.996  -9.495 -15.813
   95   1HH2  ARG  12          1HH1      ARG  12   6.040  -6.337 -16.834
   96   2HH2  ARG  12          2HH1      ARG  12   5.746  -7.971 -17.336
   97    H    ARG  13           H        ARG  13   6.303  -2.809  -9.431
   98    HA   ARG  13           HA       ARG  13   9.114  -2.066 -10.142
   99   1HB   ARG  13          2HB       ARG  13   7.861  -0.511  -7.928
  100   2HB   ARG  13          1HB       ARG  13   8.966   0.020  -9.186
  101   1HG   ARG  13          2HG       ARG  13   6.936  -0.275 -10.792
  102   2HG   ARG  13          1HG       ARG  13   5.967  -0.306  -9.319
  103   1HD   ARG  13          2HD       ARG  13   6.188   1.955  -8.999
  104   2HD   ARG  13          1HD       ARG  13   7.888   1.961  -9.446
  105    HE   ARG  13           HE       ARG  13   6.200   1.552 -11.764
  106   1HH1  ARG  13          1HH2      ARG  13   7.389   3.800  -9.472
  107   2HH1  ARG  13          2HH2      ARG  13   7.327   5.162 -10.534
  108   1HH2  ARG  13          1HH1      ARG  13   6.060   3.314 -13.202
  109   2HH2  ARG  13          2HH1      ARG  13   6.543   4.891 -12.661
  110    H    GLU  14           H        GLU  14  10.350  -3.511  -9.052
  111    HA   GLU  14           HA       GLU  14   9.275  -4.726  -6.564
  112   1HB   GLU  14          2HB       GLU  14  11.835  -5.508  -7.963
  113   2HB   GLU  14          1HB       GLU  14  10.792  -6.496  -6.938
  114   1HG   GLU  14          2HG       GLU  14   8.979  -6.111  -8.739
  115   2HG   GLU  14          1HG       GLU  14  10.298  -5.555  -9.768
  116    H    LEU  15           H        LEU  15  10.006  -3.949  -4.602
  117    HA   LEU  15           HA       LEU  15  12.690  -2.586  -4.476
  118   1HB   LEU  15          2HB       LEU  15  10.277  -2.128  -2.680
  119   2HB   LEU  15          1HB       LEU  15  11.799  -1.266  -2.596
  120    HG   LEU  15           HG       LEU  15   9.734  -1.165  -4.739
  121   1HD1  LEU  15          1HD1      LEU  15   9.255   0.961  -3.975
  122   2HD1  LEU  15          2HD1      LEU  15  10.923   1.292  -3.513
  123   3HD1  LEU  15          3HD1      LEU  15   9.899   0.322  -2.461
  124   1HD2  LEU  15          1HD2      LEU  15  11.719  -1.141  -6.030
  125   2HD2  LEU  15          2HD2      LEU  15  12.621  -0.283  -4.782
  126   3HD2  LEU  15          3HD2      LEU  15  11.426   0.572  -5.746
  127    H    ASP  16           H        ASP  16  12.897  -2.372  -1.843
  128    HA   ASP  16           HA       ASP  16  12.599  -5.056  -0.621
  129   1HB   ASP  16          2HB       ASP  16  14.979  -4.718  -1.500
  130   2HB   ASP  16          1HB       ASP  16  15.111  -3.355  -0.387
  131    H    VAL  17           H        VAL  17  11.006  -4.339   0.790
  132    HA   VAL  17           HA       VAL  17  11.485  -1.796   2.315
  133    HB   VAL  17           HB       VAL  17   8.924  -3.464   2.163
  134   1HG1  VAL  17          1HG1      VAL  17   8.683  -1.960   3.935
  135   2HG1  VAL  17          2HG1      VAL  17   8.007  -1.058   2.586
  136   3HG1  VAL  17          3HG1      VAL  17   9.640  -0.707   3.148
  137   1HG2  VAL  17          1HG2      VAL  17   9.548  -2.804  -0.104
  138   2HG2  VAL  17          2HG2      VAL  17   9.959  -1.192   0.431
  139   3HG2  VAL  17          3HG2      VAL  17   8.277  -1.708   0.435
  140    H    ALA  18           H        ALA  18  12.432  -2.090   4.234
  141    HA   ALA  18           HA       ALA  18  12.745  -4.708   5.411
  142   1HB   ALA  18          1HB       ALA  18  14.050  -3.583   7.093
  143   2HB   ALA  18          2HB       ALA  18  13.353  -2.023   6.660
  144   3HB   ALA  18          3HB       ALA  18  14.427  -2.857   5.535
  145    H    ASP  19           H        ASP  19  12.460  -4.810   7.901
  146    HA   ASP  19           HA       ASP  19   9.685  -4.977   8.468
  147   1HB   ASP  19          2HB       ASP  19  10.540  -5.370  10.842
  148   2HB   ASP  19          1HB       ASP  19  11.113  -6.481   9.602
  149    H    GLY  20           H        GLY  20   8.314  -3.589   9.264
  150   1HA   GLY  20          2HA       GLY  20   7.533  -1.798  10.649
  151   2HA   GLY  20          1HA       GLY  20   9.200  -1.314  10.925
  152    H    VAL  21           H        VAL  21   9.469  -1.500   7.761
  153    HA   VAL  21           HA       VAL  21   8.925   1.335   7.412
  154    HB   VAL  21           HB       VAL  21   9.805  -0.764   5.418
  155   1HG1  VAL  21          1HG1      VAL  21  10.637   1.180   4.124
  156   2HG1  VAL  21          2HG1      VAL  21   9.865   2.253   5.290
  157   3HG1  VAL  21          3HG1      VAL  21   8.883   1.180   4.291
  158   1HG2  VAL  21          1HG2      VAL  21  11.304  -0.324   7.446
  159   2HG2  VAL  21          2HG2      VAL  21  11.557   1.282   6.757
  160   3HG2  VAL  21          3HG2      VAL  21  12.039  -0.155   5.851
  161    H    SER  22           H        SER  22   7.152   2.213   6.389
  162    HA   SER  22           HA       SER  22   4.939   0.408   5.740
  163   1HB   SER  22          2HB       SER  22   3.597   2.309   5.746
  164   2HB   SER  22          1HB       SER  22   4.915   2.866   6.774
  165    HG   SER  22           HG       SER  22   4.092   3.936   4.542
  166    H    LEU  23           H        LEU  23   4.220  -0.083   3.697
  167    HA   LEU  23           HA       LEU  23   5.937  -0.264   1.535
  168   1HB   LEU  23          2HB       LEU  23   2.946   0.086   1.638
  169   2HB   LEU  23          1HB       LEU  23   3.781  -0.207   0.118
  170    HG   LEU  23           HG       LEU  23   4.199  -2.015   2.512
  171   1HD1  LEU  23          1HD1      LEU  23   2.045  -2.193   0.388
  172   2HD1  LEU  23          2HD1      LEU  23   1.801  -2.009   2.123
  173   3HD1  LEU  23          3HD1      LEU  23   2.469  -3.510   1.477
  174   1HD2  LEU  23          1HD2      LEU  23   4.610  -2.249  -0.478
  175   2HD2  LEU  23          2HD2      LEU  23   4.582  -3.663   0.562
  176   3HD2  LEU  23          3HD2      LEU  23   5.808  -2.424   0.795
  177    H    MET  24           H        MET  24   4.022   2.524   2.494
  178    HA   MET  24           HA       MET  24   4.622   4.035   0.073
  179   1HB   MET  24          2HB       MET  24   2.607   4.643   1.166
  180   2HB   MET  24          1HB       MET  24   3.385   4.695   2.741
  181   1HG   MET  24          2HG       MET  24   4.424   6.757   2.307
  182   2HG   MET  24          1HG       MET  24   4.270   6.570   0.558
  183   1HE   MET  24          1HE       MET  24   3.427   8.817   2.965
  184   2HE   MET  24          2HE       MET  24   2.085   9.623   2.162
  185   3HE   MET  24          3HE       MET  24   3.559   9.275   1.267
  186    H    GLN  25           H        GLN  25   6.024   3.707   3.312
  187    HA   GLN  25           HA       GLN  25   7.732   5.987   3.231
  188   1HB   GLN  25          2HB       GLN  25   7.895   3.318   4.628
  189   2HB   GLN  25          1HB       GLN  25   9.249   4.443   4.717
  190   1HG   GLN  25          2HG       GLN  25   6.430   5.331   5.351
  191   2HG   GLN  25          1HG       GLN  25   7.444   4.571   6.573
  192   1HE2  GLN  25          1HE2      GLN  25   6.642   7.575   5.248
  193   2HE2  GLN  25          2HE2      GLN  25   7.997   8.453   5.771
  194    H    ALA  26           H        ALA  26   8.530   2.569   2.364
  195    HA   ALA  26           HA       ALA  26  11.076   3.157   1.267
  196   1HB   ALA  26          1HB       ALA  26   9.067   0.990   0.665
  197   2HB   ALA  26          2HB       ALA  26  10.521   0.880   1.659
  198   3HB   ALA  26          3HB       ALA  26  10.655   1.038  -0.086
  199    H    ALA  27           H        ALA  27   7.872   3.647  -0.105
  200    HA   ALA  27           HA       ALA  27   8.590   3.780  -2.854
  201   1HB   ALA  27          1HB       ALA  27   6.252   3.900  -1.757
  202   2HB   ALA  27          2HB       ALA  27   6.537   4.936  -3.154
  203   3HB   ALA  27          3HB       ALA  27   6.586   5.618  -1.530
  204    H    VAL  28           H        VAL  28   9.292   5.844  -0.179
  205    HA   VAL  28           HA       VAL  28   9.974   8.181  -1.847
  206    HB   VAL  28           HB       VAL  28  10.427   7.684   1.106
  207   1HG1  VAL  28          1HG1      VAL  28  10.546  10.188  -0.596
  208   2HG1  VAL  28          2HG1      VAL  28  11.895   9.424   0.243
  209   3HG1  VAL  28          3HG1      VAL  28  10.596  10.182   1.161
  210   1HG2  VAL  28          1HG2      VAL  28   8.221   9.179  -0.341
  211   2HG2  VAL  28          2HG2      VAL  28   8.415   9.088   1.404
  212   3HG2  VAL  28          3HG2      VAL  28   8.036   7.633   0.477
  213    H    SER  29           H        SER  29  11.549   5.404  -0.480
  214    HA   SER  29           HA       SER  29  14.242   6.500  -0.574
  215   1HB   SER  29          2HB       SER  29  14.592   4.628   0.665
  216   2HB   SER  29          1HB       SER  29  12.949   4.117   0.324
  217    HG   SER  29           HG       SER  29  13.670   2.782  -1.144
  218    H    ASN  30           H        ASN  30  12.096   4.827  -2.758
  219    HA   ASN  30           HA       ASN  30  14.242   4.673  -4.840
  220   1HB   ASN  30          2HB       ASN  30  11.576   3.311  -4.454
  221   2HB   ASN  30          1HB       ASN  30  12.396   3.309  -6.010
  222   1HD2  ASN  30          1HD2      ASN  30  13.074   2.563  -2.552
  223   2HD2  ASN  30          2HD2      ASN  30  14.125   1.271  -2.877
  224    H    GLY  31           H        GLY  31  11.813   6.621  -3.675
  225   1HA   GLY  31          2HA       GLY  31  10.726   8.505  -4.598
  226   2HA   GLY  31          1HA       GLY  31  11.869   8.395  -5.940
  227    H    ILE  32           H        ILE  32   8.945   6.770  -4.686
  228    HA   ILE  32           HA       ILE  32   8.097   6.304  -7.534
  229    HB   ILE  32           HB       ILE  32   7.776   4.581  -5.065
  230   1HG1  ILE  32          2HG1      ILE  32   9.018   4.053  -7.778
  231   2HG1  ILE  32          1HG1      ILE  32   9.918   4.465  -6.323
  232   1HG2  ILE  32          1HG2      ILE  32   5.655   4.532  -6.340
  233   2HG2  ILE  32          2HG2      ILE  32   6.511   3.006  -6.492
  234   3HG2  ILE  32          3HG2      ILE  32   6.548   4.172  -7.816
  235   1HD1  ILE  32          1HD1      ILE  32   9.946   2.297  -5.753
  236   2HD1  ILE  32          2HD1      ILE  32   8.981   1.884  -7.168
  237   3HD1  ILE  32          3HD1      ILE  32   8.191   2.287  -5.643
  238    H    TYR  33           H        TYR  33   6.605   6.336  -4.274
  239    HA   TYR  33           HA       TYR  33   4.238   7.714  -5.480
  240   1HB   TYR  33          2HB       TYR  33   4.530   6.086  -2.942
  241   2HB   TYR  33          1HB       TYR  33   3.121   7.103  -3.263
  242    HD1  TYR  33           1HD      TYR  33   4.550   3.885  -3.823
  243    HD2  TYR  33           2HD      TYR  33   2.053   6.867  -5.648
  244    HE1  TYR  33           1HE      TYR  33   3.679   2.195  -5.414
  245    HE2  TYR  33           2HE      TYR  33   1.175   5.172  -7.221
  246    HH   TYR  33           HH       TYR  33   2.065   2.954  -8.203
  247    H    ASP  34           H        ASP  34   7.044   8.574  -4.078
  248    HA   ASP  34           HA       ASP  34   6.739  10.240  -1.949
  249   1HB   ASP  34          2HB       ASP  34   8.356  11.816  -2.975
  250   2HB   ASP  34          1HB       ASP  34   8.830  10.138  -3.244
  251    H    ILE  35           H        ILE  35   5.562  10.917  -5.168
  252    HA   ILE  35           HA       ILE  35   4.682  13.398  -5.497
  253    HB   ILE  35           HB       ILE  35   2.737  11.076  -5.368
  254   1HG1  ILE  35          2HG1      ILE  35   4.020  12.377  -7.779
  255   2HG1  ILE  35          1HG1      ILE  35   4.731  10.985  -6.953
  256   1HG2  ILE  35          1HG2      ILE  35   1.398  13.052  -5.304
  257   2HG2  ILE  35          2HG2      ILE  35   1.420  12.547  -6.991
  258   3HG2  ILE  35          3HG2      ILE  35   2.442  13.882  -6.454
  259   1HD1  ILE  35          1HD1      ILE  35   2.783   9.634  -7.403
  260   2HD1  ILE  35          2HD1      ILE  35   3.253  10.392  -8.922
  261   3HD1  ILE  35          3HD1      ILE  35   1.889  11.029  -8.008
  262    H    VAL  36           H        VAL  36   3.771  15.064  -4.342
  263    HA   VAL  36           HA       VAL  36   3.456  15.255  -1.659
  264    HB   VAL  36           HB       VAL  36   1.883  17.071  -1.971
  265   1HG1  VAL  36          1HG1      VAL  36   3.132  18.387  -3.521
  266   2HG1  VAL  36          2HG1      VAL  36   3.610  16.965  -4.450
  267   3HG1  VAL  36          3HG1      VAL  36   4.279  17.234  -2.844
  268   1HG2  VAL  36          1HG2      VAL  36   0.920  17.395  -4.320
  269   2HG2  VAL  36          2HG2      VAL  36   0.217  16.078  -3.378
  270   3HG2  VAL  36          3HG2      VAL  36   1.397  15.729  -4.643
  271    H    GLY  37           H        GLY  37   1.783  14.996  -0.081
  272   1HA   GLY  37          2HA       GLY  37  -0.564  13.334  -0.888
  273   2HA   GLY  37          1HA       GLY  37   0.487  12.757   0.404
  274    H    ASP  38           H        ASP  38  -2.087  13.122   1.114
  275    HA   ASP  38           HA       ASP  38  -2.474  15.859   2.146
  276   1HB   ASP  38          2HB       ASP  38  -4.227  13.465   2.699
  277   2HB   ASP  38          1HB       ASP  38  -4.675  15.169   2.714
  278    H    CYS  39           H        CYS  39  -3.040  12.784   3.857
  279    HA   CYS  39           HA       CYS  39  -2.328  13.966   6.391
  280   1HB   CYS  39          2HB       CYS  39  -2.895  11.896   7.344
  281   2HB   CYS  39          1HB       CYS  39  -3.893  11.953   5.894
  282    H    GLY  40           H        GLY  40  -0.296  13.385   3.959
  283   1HA   GLY  40          2HA       GLY  40   2.003  12.918   3.816
  284   2HA   GLY  40          1HA       GLY  40   2.072  13.491   5.484
  285    H    GLY  41           H        GLY  41  -0.082  10.934   5.234
  286   1HA   GLY  41          2HA       GLY  41   0.325   8.549   5.313
  287   2HA   GLY  41          1HA       GLY  41   1.995   8.856   5.782
  288    H    SER  42           H        SER  42  -1.350   8.979   6.935
  289    HA   SER  42           HA       SER  42  -0.492   8.236   9.620
  290   1HB   SER  42          2HB       SER  42  -0.193  10.756   9.510
  291   2HB   SER  42          1HB       SER  42  -1.933  10.878   9.266
  292    HG   SER  42           HG       SER  42  -2.101  10.684  11.342
  293    H    ALA  43           H        ALA  43  -2.299   7.241   7.463
  294    HA   ALA  43           HA       ALA  43  -4.492   6.407   7.240
  295   1HB   ALA  43          1HB       ALA  43  -3.897   6.317  10.181
  296   2HB   ALA  43          2HB       ALA  43  -4.122   4.984   9.060
  297   3HB   ALA  43          3HB       ALA  43  -5.515   5.890   9.626
  298    H    SER  44           H        SER  44  -4.964   8.755   6.475
  299    HA   SER  44           HA       SER  44  -7.377   9.630   7.825
  300   1HB   SER  44          2HB       SER  44  -5.239  10.637   9.058
  301   2HB   SER  44          1HB       SER  44  -5.312  11.805   7.741
  302    HG   SER  44           HG       SER  44  -7.065  11.339   9.851
  303    H    CYS  45           H        CYS  45  -6.133   8.921   5.104
  304    HA   CYS  45           HA       CYS  45  -7.728  10.829   3.604
  305   1HB   CYS  45          2HB       CYS  45  -6.093  12.067   2.505
  306   2HB   CYS  45          1HB       CYS  45  -5.361  11.901   4.100
  307    H    ALA  46           H        ALA  46  -7.487  10.361   1.174
  308    HA   ALA  46           HA       ALA  46  -7.250   7.408   0.821
  309   1HB   ALA  46          1HB       ALA  46  -8.431   9.470  -1.049
  310   2HB   ALA  46          2HB       ALA  46  -9.366   8.597   0.149
  311   3HB   ALA  46          3HB       ALA  46  -8.592   7.719  -1.162
  312    H    THR  47           H        THR  47  -5.262   9.991   0.571
  313    HA   THR  47           HA       THR  47  -4.161  10.063  -1.977
  314    HB   THR  47           HB       THR  47  -2.487   9.947   0.536
  315    HG1  THR  47           1HG      THR  47  -3.998  12.044  -0.613
  316   1HG2  THR  47          1HG2      THR  47  -0.835  11.044  -0.675
  317   2HG2  THR  47          2HG2      THR  47  -1.987  11.736  -1.815
  318   3HG2  THR  47          3HG2      THR  47  -1.531  10.039  -1.944
  319    H    CYS  48           H        CYS  48  -3.182   7.780   0.609
  320    HA   CYS  48           HA       CYS  48  -1.768   6.169  -1.426
  321   1HB   CYS  48          2HB       CYS  48  -0.793   5.005   0.374
  322   2HB   CYS  48          1HB       CYS  48  -0.866   6.677   0.911
  323    H    HIS  49           H        HIS  49  -4.451   6.214  -1.962
  324    HA   HIS  49           HA       HIS  49  -5.852   3.939  -0.777
  325   1HB   HIS  49          2HB       HIS  49  -7.267   5.667  -1.633
  326   2HB   HIS  49          1HB       HIS  49  -6.335   5.810  -3.098
  327    HD1  HIS  49           1HD      HIS  49  -8.486   3.073  -1.444
  328    HD2  HIS  49           2HD      HIS  49  -7.583   4.614  -5.193
  329    HE1  HIS  49           1HE      HIS  49  -9.836   1.722  -3.149
  330    HE2  HIS  49           2HE      HIS  49  -9.279   2.673  -5.411
  331    H    VAL  50           H        VAL  50  -4.665   2.006  -1.145
  332    HA   VAL  50           HA       VAL  50  -4.290   1.268  -4.031
  333    HB   VAL  50           HB       VAL  50  -2.089   0.590  -3.758
  334   1HG1  VAL  50          1HG1      VAL  50  -2.347   3.061  -3.359
  335   2HG1  VAL  50          2HG1      VAL  50  -0.879   2.364  -2.676
  336   3HG1  VAL  50          3HG1      VAL  50  -2.251   2.729  -1.631
  337   1HG2  VAL  50          1HG2      VAL  50  -2.222  -0.961  -1.971
  338   2HG2  VAL  50          2HG2      VAL  50  -2.757   0.274  -0.827
  339   3HG2  VAL  50          3HG2      VAL  50  -1.088   0.265  -1.393
  340    H    TYR  51           H        TYR  51  -3.864  -1.119  -4.217
  341    HA   TYR  51           HA       TYR  51  -5.642  -2.630  -2.353
  342   1HB   TYR  51          2HB       TYR  51  -5.111  -2.973  -5.298
  343   2HB   TYR  51          1HB       TYR  51  -6.167  -3.990  -4.361
  344    HD1  TYR  51           1HD      TYR  51  -7.813  -2.299  -2.747
  345    HD2  TYR  51           2HD      TYR  51  -6.248  -1.463  -6.665
  346    HE1  TYR  51           1HE      TYR  51  -9.543  -0.580  -3.077
  347    HE2  TYR  51           2HE      TYR  51  -8.025   0.198  -6.990
  348    HH   TYR  51           HH       TYR  51  -9.920   1.040  -6.223
  349    H    VAL  52           H        VAL  52  -4.467  -3.877  -1.103
  350    HA   VAL  52           HA       VAL  52  -1.840  -4.938  -1.919
  351    HB   VAL  52           HB       VAL  52  -3.280  -5.567   0.655
  352   1HG1  VAL  52          1HG1      VAL  52  -1.162  -6.134   1.491
  353   2HG1  VAL  52          2HG1      VAL  52  -0.322  -5.204   0.245
  354   3HG1  VAL  52          3HG1      VAL  52  -1.098  -6.732  -0.162
  355   1HG2  VAL  52          1HG2      VAL  52  -1.992  -3.614   1.621
  356   2HG2  VAL  52          2HG2      VAL  52  -3.300  -3.152   0.529
  357   3HG2  VAL  52          3HG2      VAL  52  -1.630  -3.118  -0.028
  358    H    ASN  53           H        ASN  53  -1.575  -7.005  -2.749
  359    HA   ASN  53           HA       ASN  53  -3.674  -8.610  -3.598
  360   1HB   ASN  53          2HB       ASN  53  -1.487  -9.103  -4.361
  361   2HB   ASN  53          1HB       ASN  53  -0.881  -9.360  -2.729
  362   1HD2  ASN  53          1HD2      ASN  53  -0.240 -11.476  -4.077
  363   2HD2  ASN  53          2HD2      ASN  53  -1.345 -12.761  -3.958
  364    H    GLU  54           H        GLU  54  -5.184  -9.812  -2.584
  365    HA   GLU  54           HA       GLU  54  -5.555  -9.860   0.193
  366   1HB   GLU  54          2HB       GLU  54  -7.122 -11.785  -0.271
  367   2HB   GLU  54          1HB       GLU  54  -7.394 -10.353  -1.263
  368   1HG   GLU  54          2HG       GLU  54  -6.278 -11.331  -3.143
  369   2HG   GLU  54          1HG       GLU  54  -5.657 -12.660  -2.168
  370    H    ALA  55           H        ALA  55  -2.916 -11.204  -1.093
  371    HA   ALA  55           HA       ALA  55  -3.015 -13.737   0.464
  372   1HB   ALA  55          1HB       ALA  55  -1.124 -12.655  -1.626
  373   2HB   ALA  55          2HB       ALA  55  -2.152 -14.084  -1.724
  374   3HB   ALA  55          3HB       ALA  55  -0.741 -14.079  -0.662
  375    H    PHE  56           H        PHE  56  -1.703 -10.486   0.640
  376    HA   PHE  56           HA       PHE  56   0.089 -11.318   2.889
  377   1HB   PHE  56          2HB       PHE  56   0.126  -8.958   0.980
  378   2HB   PHE  56          1HB       PHE  56   1.186  -9.093   2.384
  379    HD1  PHE  56           1HD      PHE  56   0.133 -10.917  -0.702
  380    HD2  PHE  56           2HD      PHE  56   3.199 -10.293   2.212
  381    HE1  PHE  56           1HE      PHE  56   1.648 -12.408  -1.978
  382    HE2  PHE  56           2HE      PHE  56   4.711 -11.792   0.972
  383    HZ   PHE  56           HZ       PHE  56   3.942 -12.849  -1.142
  384    H    THR  57           H        THR  57  -2.834  -9.925   2.100
  385    HA   THR  57           HA       THR  57  -2.966  -7.766   3.992
  386    HB   THR  57           HB       THR  57  -5.479  -8.097   3.715
  387    HG1  THR  57           1HG      THR  57  -5.790 -10.138   3.202
  388   1HG2  THR  57          1HG2      THR  57  -3.569  -7.704   1.432
  389   2HG2  THR  57          2HG2      THR  57  -4.629  -6.530   2.224
  390   3HG2  THR  57          3HG2      THR  57  -5.303  -7.730   1.124
  391    H    ASP  58           H        ASP  58  -3.968 -11.158   4.090
  392    HA   ASP  58           HA       ASP  58  -4.876 -10.932   6.874
  393   1HB   ASP  58          2HB       ASP  58  -5.478 -13.271   6.669
  394   2HB   ASP  58          1HB       ASP  58  -5.961 -12.462   5.184
  395    H    LYS  59           H        LYS  59  -1.960 -10.685   5.769
  396    HA   LYS  59           HA       LYS  59  -0.714 -12.460   7.850
  397   1HB   LYS  59          2HB       LYS  59   0.667 -11.528   5.356
  398   2HB   LYS  59          1HB       LYS  59   1.050 -12.916   6.365
  399   1HG   LYS  59          2HG       LYS  59  -1.331 -13.770   5.661
  400   2HG   LYS  59          1HG       LYS  59  -1.185 -12.592   4.355
  401   1HD   LYS  59          2HD       LYS  59  -0.399 -14.755   3.562
  402   2HD   LYS  59          1HD       LYS  59   0.982 -13.673   3.695
  403   1HE   LYS  59          2HE       LYS  59   1.898 -14.864   5.461
  404   2HE   LYS  59          1HE       LYS  59   0.323 -15.367   6.084
  405   1HZ   LYS  59          1HZ       LYS  59   1.973 -16.559   3.985
  406   2HZ   LYS  59          2HZ       LYS  59   0.288 -16.626   3.781
  407   3HZ   LYS  59          3HZ       LYS  59   1.006 -17.305   5.167
  408    H    VAL  60           H        VAL  60  -0.577  -9.365   6.102
  409    HA   VAL  60           HA       VAL  60   1.433  -8.312   7.990
  410    HB   VAL  60           HB       VAL  60   0.705  -7.799   5.323
  411   1HG1  VAL  60          1HG1      VAL  60  -0.137  -5.427   6.971
  412   2HG1  VAL  60          2HG1      VAL  60  -1.023  -6.281   5.721
  413   3HG1  VAL  60          3HG1      VAL  60   0.367  -5.301   5.290
  414   1HG2  VAL  60          1HG2      VAL  60   2.933  -7.448   5.525
  415   2HG2  VAL  60          2HG2      VAL  60   2.804  -6.822   7.157
  416   3HG2  VAL  60          3HG2      VAL  60   2.480  -5.768   5.791
  417    HA   PRO  61           HA       PRO  61  -1.358  -6.666  10.894
  418   1HB   PRO  61          2HB       PRO  61  -0.717  -3.902  11.048
  419   2HB   PRO  61          1HB       PRO  61  -0.021  -5.214  12.006
  420   1HG   PRO  61          2HG       PRO  61   1.135  -3.758   9.742
  421   2HG   PRO  61          1HG       PRO  61   1.936  -4.747  10.969
  422   1HD   PRO  61          2HD       PRO  61   1.522  -5.481   8.306
  423   2HD   PRO  61          1HD       PRO  61   1.963  -6.596   9.599
  424    H    ALA  62           H        ALA  62  -3.402  -6.770  10.186
  425    HA   ALA  62           HA       ALA  62  -4.601  -5.013   8.219
  426   1HB   ALA  62          1HB       ALA  62  -5.469  -7.278   8.438
  427   2HB   ALA  62          2HB       ALA  62  -6.720  -6.141   8.940
  428   3HB   ALA  62          3HB       ALA  62  -5.792  -7.018  10.155
  429    H    ALA  63           H        ALA  63  -4.695  -2.919   8.831
  430    HA   ALA  63           HA       ALA  63  -4.767  -1.815  11.334
  431   1HB   ALA  63          1HB       ALA  63  -6.346  -0.811   8.968
  432   2HB   ALA  63          2HB       ALA  63  -4.594  -0.673   9.089
  433   3HB   ALA  63          3HB       ALA  63  -5.630   0.150  10.264
  434    H    ASN  64           H        ASN  64  -6.269  -1.376  12.844
  435    HA   ASN  64           HA       ASN  64  -8.578  -3.011  13.131
  436   1HB   ASN  64          2HB       ASN  64  -9.248  -1.170  14.867
  437   2HB   ASN  64          1HB       ASN  64  -7.788  -2.117  15.148
  438   1HD2  ASN  64          1HD2      ASN  64  -7.308  -0.013  16.474
  439   2HD2  ASN  64          2HD2      ASN  64  -6.517   1.238  15.648
  440    H    GLU  65           H        GLU  65 -10.742  -1.498  13.773
  441    HA   GLU  65           HA       GLU  65 -11.928  -0.947  11.244
  442   1HB   GLU  65          2HB       GLU  65 -13.857  -0.155  12.562
  443   2HB   GLU  65          1HB       GLU  65 -13.223  -1.675  13.193
  444   1HG   GLU  65          2HG       GLU  65 -11.802  -0.235  14.782
  445   2HG   GLU  65          1HG       GLU  65 -12.845   1.106  14.316
  446    H    ARG  66           H        ARG  66  -9.688   0.934  12.793
  447    HA   ARG  66           HA       ARG  66 -10.875   3.548  12.508
  448   1HB   ARG  66          2HB       ARG  66  -8.049   2.533  12.824
  449   2HB   ARG  66          1HB       ARG  66  -8.358   4.235  12.503
  450   1HG   ARG  66          2HG       ARG  66  -9.618   4.499  14.514
  451   2HG   ARG  66          1HG       ARG  66  -9.751   2.755  14.733
  452   1HD   ARG  66          2HD       ARG  66  -7.823   2.732  15.947
  453   2HD   ARG  66          1HD       ARG  66  -6.935   3.498  14.634
  454    HE   ARG  66           HE       ARG  66  -8.327   4.926  16.855
  455   1HH1  ARG  66          1HH2      ARG  66  -6.176   4.969  14.109
  456   2HH1  ARG  66          2HH2      ARG  66  -5.528   6.521  14.515
  457   1HH2  ARG  66          1HH1      ARG  66  -7.458   6.910  17.361
  458   2HH2  ARG  66          2HH1      ARG  66  -6.245   7.621  16.352
  459    H    GLU  67           H        GLU  67  -8.725   1.600  10.445
  460    HA   GLU  67           HA       GLU  67  -8.625   3.541   8.293
  461   1HB   GLU  67          2HB       GLU  67  -7.150   1.358   9.010
  462   2HB   GLU  67          1HB       GLU  67  -8.102   0.661   7.711
  463   1HG   GLU  67          2HG       GLU  67  -7.377   2.717   6.336
  464   2HG   GLU  67          1HG       GLU  67  -6.188   3.000   7.598
  465    H    ILE  68           H        ILE  68 -10.323   0.456   8.741
  466    HA   ILE  68           HA       ILE  68 -11.668   0.206   6.327
  467    HB   ILE  68           HB       ILE  68 -12.589  -0.416   9.132
  468   1HG1  ILE  68          2HG1      ILE  68 -12.172  -2.704   8.488
  469   2HG1  ILE  68          1HG1      ILE  68 -11.977  -2.249   6.795
  470   1HG2  ILE  68          1HG2      ILE  68 -14.401  -1.801   7.951
  471   2HG2  ILE  68          2HG2      ILE  68 -14.088  -0.795   6.534
  472   3HG2  ILE  68          3HG2      ILE  68 -14.668  -0.059   8.032
  473   1HD1  ILE  68          1HD1      ILE  68  -9.911  -1.096   7.270
  474   2HD1  ILE  68          2HD1      ILE  68  -9.815  -2.688   8.013
  475   3HD1  ILE  68          3HD1      ILE  68 -10.154  -1.275   9.012
  476    H    GLY  69           H        GLY  69 -12.093   2.728   8.672
  477   1HA   GLY  69          2HA       GLY  69 -14.752   3.507   7.700
  478   2HA   GLY  69          1HA       GLY  69 -13.762   4.424   8.827
  479    H    MET  70           H        MET  70 -11.776   5.522   7.804
  480    HA   MET  70           HA       MET  70 -12.506   7.296   5.757
  481   1HB   MET  70          2HB       MET  70  -9.800   7.115   5.312
  482   2HB   MET  70          1HB       MET  70 -10.505   8.029   6.640
  483   1HG   MET  70          2HG       MET  70  -9.911   5.100   7.005
  484   2HG   MET  70          1HG       MET  70  -8.621   6.290   7.154
  485   1HE   MET  70          1HE       MET  70  -8.784   6.674  10.785
  486   2HE   MET  70          2HE       MET  70  -7.913   6.930   9.277
  487   3HE   MET  70          3HE       MET  70  -8.383   5.299   9.750
  488    H    LEU  71           H        LEU  71 -11.069   4.073   5.468
  489    HA   LEU  71           HA       LEU  71 -10.664   4.047   2.647
  490   1HB   LEU  71          2HB       LEU  71 -11.349   1.929   4.682
  491   2HB   LEU  71          1HB       LEU  71 -11.201   1.511   2.986
  492    HG   LEU  71           HG       LEU  71  -9.014   3.016   4.430
  493   1HD1  LEU  71          1HD1      LEU  71  -9.118   0.012   4.057
  494   2HD1  LEU  71          2HD1      LEU  71  -9.565   0.805   5.572
  495   3HD1  LEU  71          3HD1      LEU  71  -7.931   0.946   4.960
  496   1HD2  LEU  71          1HD2      LEU  71  -7.645   1.790   2.626
  497   2HD2  LEU  71          2HD2      LEU  71  -8.706   3.064   2.052
  498   3HD2  LEU  71          3HD2      LEU  71  -9.181   1.379   1.878
  499    H    GLU  72           H        GLU  72 -13.528   3.653   4.640
  500    HA   GLU  72           HA       GLU  72 -15.238   2.853   2.426
  501   1HB   GLU  72          2HB       GLU  72 -15.584   2.493   4.984
  502   2HB   GLU  72          1HB       GLU  72 -16.181   4.151   4.993
  503   1HG   GLU  72          2HG       GLU  72 -18.095   2.717   4.703
  504   2HG   GLU  72          1HG       GLU  72 -17.783   3.464   3.133
  505    H    CYS  73           H        CYS  73 -13.528   5.512   2.638
  506    HA   CYS  73           HA       CYS  73 -15.677   7.272   1.517
  507   1HB   CYS  73          2HB       CYS  73 -14.232   7.628   3.970
  508   2HB   CYS  73          1HB       CYS  73 -13.667   8.869   2.857
  509    HG   CYS  73           HG       CYS  73 -15.817   9.784   4.031
  510    H    VAL  74           H        VAL  74 -13.760   5.625   0.041
  511    HA   VAL  74           HA       VAL  74 -11.829   7.638  -1.010
  512    HB   VAL  74           HB       VAL  74 -10.937   5.703  -2.313
  513   1HG1  VAL  74          1HG1      VAL  74 -10.147   6.406  -0.004
  514   2HG1  VAL  74          2HG1      VAL  74  -9.812   4.730  -0.436
  515   3HG1  VAL  74          3HG1      VAL  74 -11.155   5.115   0.633
  516   1HG2  VAL  74          1HG2      VAL  74 -11.729   3.465  -1.723
  517   2HG2  VAL  74          2HG2      VAL  74 -13.068   4.422  -2.354
  518   3HG2  VAL  74          3HG2      VAL  74 -12.913   4.165  -0.620
  519    H    THR  75           H        THR  75 -11.593   7.464  -3.532
  520    HA   THR  75           HA       THR  75 -14.331   7.807  -4.677
  521    HB   THR  75           HB       THR  75 -11.732   8.681  -5.959
  522    HG1  THR  75           1HG      THR  75 -13.286  10.459  -4.487
  523   1HG2  THR  75          1HG2      THR  75 -14.622   9.585  -6.159
  524   2HG2  THR  75          2HG2      THR  75 -13.682   8.759  -7.397
  525   3HG2  THR  75          3HG2      THR  75 -13.268  10.407  -6.929
  526    H    ALA  76           H        ALA  76 -11.739   5.532  -4.751
  527    HA   ALA  76           HA       ALA  76 -12.515   4.627  -7.494
  528   1HB   ALA  76          1HB       ALA  76 -10.024   4.604  -5.901
  529   2HB   ALA  76          2HB       ALA  76 -10.231   4.629  -7.652
  530   3HB   ALA  76          3HB       ALA  76 -10.334   3.105  -6.774
  531    H    GLU  77           H        GLU  77 -12.464   2.176  -7.709
  532    HA   GLU  77           HA       GLU  77 -14.504   0.974  -6.252
  533   1HB   GLU  77          2HB       GLU  77 -14.209  -0.399  -8.044
  534   2HB   GLU  77          1HB       GLU  77 -12.629   0.305  -8.322
  535   1HG   GLU  77          2HG       GLU  77 -11.537  -1.377  -7.006
  536   2HG   GLU  77          1HG       GLU  77 -13.069  -1.949  -6.335
  537    H    LEU  78           H        LEU  78 -14.398   0.766  -3.975
  538    HA   LEU  78           HA       LEU  78 -11.862   0.061  -2.701
  539   1HB   LEU  78          2HB       LEU  78 -13.807   1.374  -1.597
  540   2HB   LEU  78          1HB       LEU  78 -14.582  -0.198  -1.402
  541    HG   LEU  78           HG       LEU  78 -12.241  -0.901  -0.370
  542   1HD1  LEU  78          1HD1      LEU  78 -12.259   2.083   0.030
  543   2HD1  LEU  78          2HD1      LEU  78 -11.083   1.202  -0.922
  544   3HD1  LEU  78          3HD1      LEU  78 -11.166   0.965   0.803
  545   1HD2  LEU  78          1HD2      LEU  78 -14.099   0.931   1.163
  546   2HD2  LEU  78          2HD2      LEU  78 -13.042  -0.305   1.844
  547   3HD2  LEU  78          3HD2      LEU  78 -14.421  -0.774   0.847
  548    H    LYS  79           H        LYS  79 -11.201  -1.799  -2.001
  549    HA   LYS  79           HA       LYS  79 -12.527  -4.223  -3.069
  550   1HB   LYS  79          2HB       LYS  79  -9.778  -3.341  -2.298
  551   2HB   LYS  79          1HB       LYS  79 -10.104  -5.067  -2.349
  552   1HG   LYS  79          2HG       LYS  79 -10.761  -3.244  -4.672
  553   2HG   LYS  79          1HG       LYS  79  -9.163  -3.946  -4.482
  554   1HD   LYS  79          2HD       LYS  79 -10.315  -6.226  -4.339
  555   2HD   LYS  79          1HD       LYS  79 -11.776  -5.412  -4.891
  556   1HE   LYS  79          2HE       LYS  79 -10.522  -6.394  -6.787
  557   2HE   LYS  79          1HE       LYS  79 -10.605  -4.635  -6.906
  558   1HZ   LYS  79          1HZ       LYS  79  -8.411  -4.401  -6.285
  559   2HZ   LYS  79          2HZ       LYS  79  -8.357  -5.805  -7.242
  560   3HZ   LYS  79          3HZ       LYS  79  -8.332  -5.925  -5.545
  561    HA   PRO  80           HA       PRO  80 -13.605  -5.614   1.011
  562   1HB   PRO  80          2HB       PRO  80 -12.691  -8.268   0.916
  563   2HB   PRO  80          1HB       PRO  80 -14.261  -7.714   0.293
  564   1HG   PRO  80          2HG       PRO  80 -11.728  -8.252  -1.174
  565   2HG   PRO  80          1HG       PRO  80 -13.406  -8.544  -1.665
  566   1HD   PRO  80          2HD       PRO  80 -11.987  -6.452  -2.639
  567   2HD   PRO  80          1HD       PRO  80 -13.737  -6.332  -2.337
  568    H    ASN  81           H        ASN  81 -10.436  -5.839  -0.271
  569    HA   ASN  81           HA       ASN  81  -9.233  -5.872   2.470
  570   1HB   ASN  81          2HB       ASN  81  -7.502  -7.239   1.740
  571   2HB   ASN  81          1HB       ASN  81  -8.825  -7.855   0.755
  572   1HD2  ASN  81          1HD2      ASN  81  -8.852  -7.227  -1.556
  573   2HD2  ASN  81          2HD2      ASN  81  -7.460  -6.623  -2.307
  574    H    SER  82           H        SER  82 -10.096  -3.479   0.733
  575    HA   SER  82           HA       SER  82  -7.821  -2.268  -0.417
  576   1HB   SER  82          2HB       SER  82 -10.241  -1.132   0.968
  577   2HB   SER  82          1HB       SER  82  -9.038  -0.132   0.149
  578    HG   SER  82           HG       SER  82 -10.325  -0.533  -1.472
  579    H    ARG  83           H        ARG  83  -6.707  -0.310   0.630
  580    HA   ARG  83           HA       ARG  83  -6.588  -0.166   3.513
  581   1HB   ARG  83          2HB       ARG  83  -5.017  -2.225   2.207
  582   2HB   ARG  83          1HB       ARG  83  -3.947  -1.125   3.061
  583   1HG   ARG  83          2HG       ARG  83  -4.755  -1.742   5.162
  584   2HG   ARG  83          1HG       ARG  83  -6.369  -2.099   4.576
  585   1HD   ARG  83          2HD       ARG  83  -5.867  -4.301   4.215
  586   2HD   ARG  83          1HD       ARG  83  -4.320  -3.920   3.484
  587    HE   ARG  83           HE       ARG  83  -3.946  -3.458   6.198
  588   1HH1  ARG  83          1HH2      ARG  83  -5.141  -5.995   4.239
  589   2HH1  ARG  83          2HH2      ARG  83  -4.298  -7.249   5.087
  590   1HH2  ARG  83          1HH1      ARG  83  -2.752  -5.094   7.299
  591   2HH2  ARG  83          2HH1      ARG  83  -2.947  -6.744   6.801
  592    H    LEU  84           H        LEU  84  -5.194   1.464   4.298
  593    HA   LEU  84           HA       LEU  84  -4.324   3.395   2.226
  594   1HB   LEU  84          2HB       LEU  84  -4.339   3.633   5.259
  595   2HB   LEU  84          1HB       LEU  84  -4.039   4.943   4.132
  596    HG   LEU  84           HG       LEU  84  -6.598   3.331   4.244
  597   1HD1  LEU  84          1HD1      LEU  84  -6.054   4.911   6.214
  598   2HD1  LEU  84          2HD1      LEU  84  -7.600   5.140   5.393
  599   3HD1  LEU  84          3HD1      LEU  84  -6.251   6.221   5.052
  600   1HD2  LEU  84          1HD2      LEU  84  -5.597   5.581   2.508
  601   2HD2  LEU  84          2HD2      LEU  84  -7.320   5.473   2.862
  602   3HD2  LEU  84          3HD2      LEU  84  -6.507   4.140   2.050
  603    H    CYS  85           H        CYS  85  -2.490   2.530   1.386
  604    HA   CYS  85           HA       CYS  85  -0.508   0.994   2.318
  605   1HB   CYS  85          2HB       CYS  85  -0.769   2.712   0.176
  606   2HB   CYS  85          1HB       CYS  85   0.687   3.318   0.960
  607    HG   CYS  85           HG       CYS  85   1.904   1.317   0.153
  608    H    CYS  86           H        CYS  86  -0.591   4.499   3.212
  609    HA   CYS  86           HA       CYS  86   1.947   4.390   4.532
  610   1HB   CYS  86          2HB       CYS  86   1.325   6.454   5.617
  611   2HB   CYS  86          1HB       CYS  86   0.764   6.501   3.947
  612    H    GLN  87           H        GLN  87  -1.247   3.409   5.634
  613    HA   GLN  87           HA       GLN  87  -0.257   3.145   8.420
  614   1HB   GLN  87          2HB       GLN  87  -2.633   3.917   7.646
  615   2HB   GLN  87          1HB       GLN  87  -2.954   2.196   7.472
  616   1HG   GLN  87          2HG       GLN  87  -3.629   2.749   9.693
  617   2HG   GLN  87          1HG       GLN  87  -2.078   1.922   9.859
  618   1HE2  GLN  87          1HE2      GLN  87  -2.420   3.388  12.020
  619   2HE2  GLN  87          2HE2      GLN  87  -1.649   4.900  11.949
  620    H    ILE  88           H        ILE  88   1.014   1.469   6.411
  621    HA   ILE  88           HA       ILE  88   0.269  -1.218   7.524
  622    HB   ILE  88           HB       ILE  88   1.029  -0.594   4.648
  623   1HG1  ILE  88          2HG1      ILE  88  -1.326  -0.122   5.188
  624   2HG1  ILE  88          1HG1      ILE  88  -1.186  -1.515   4.119
  625   1HG2  ILE  88          1HG2      ILE  88   0.778  -3.181   6.167
  626   2HG2  ILE  88          2HG2      ILE  88   2.107  -2.628   5.145
  627   3HG2  ILE  88          3HG2      ILE  88   0.580  -3.116   4.414
  628   1HD1  ILE  88          1HD1      ILE  88  -1.148  -2.759   6.564
  629   2HD1  ILE  88          2HD1      ILE  88  -2.594  -2.468   5.620
  630   3HD1  ILE  88          3HD1      ILE  88  -2.166  -1.360   6.905
  631    H    ILE  89           H        ILE  89   2.112  -2.765   7.471
  632    HA   ILE  89           HA       ILE  89   4.798  -1.444   7.372
  633    HB   ILE  89           HB       ILE  89   3.489  -2.776   9.717
  634   1HG1  ILE  89          2HG1      ILE  89   5.087  -1.237  10.938
  635   2HG1  ILE  89          1HG1      ILE  89   5.634  -0.652   9.376
  636   1HG2  ILE  89          1HG2      ILE  89   6.395  -3.229   8.977
  637   2HG2  ILE  89          2HG2      ILE  89   5.180  -4.440   9.389
  638   3HG2  ILE  89          3HG2      ILE  89   5.802  -3.361  10.639
  639   1HD1  ILE  89          1HD1      ILE  89   2.702  -0.592   9.647
  640   2HD1  ILE  89          2HD1      ILE  89   3.817   0.672   9.125
  641   3HD1  ILE  89          3HD1      ILE  89   3.535   0.396  10.843
  642    H    MET  90           H        MET  90   6.198  -2.625   6.190
  643    HA   MET  90           HA       MET  90   5.365  -5.326   5.315
  644   1HB   MET  90          2HB       MET  90   6.441  -3.328   3.877
  645   2HB   MET  90          1HB       MET  90   7.936  -4.106   4.396
  646   1HG   MET  90          2HG       MET  90   7.177  -5.028   2.242
  647   2HG   MET  90          1HG       MET  90   7.127  -6.258   3.498
  648   1HE   MET  90          1HE       MET  90   5.636  -7.866   2.737
  649   2HE   MET  90          2HE       MET  90   3.885  -7.744   2.894
  650   3HE   MET  90          3HE       MET  90   4.908  -7.476   4.304
  651    H    THR  91           H        THR  91   7.014  -7.055   5.253
  652    HA   THR  91           HA       THR  91   9.115  -6.876   7.314
  653    HB   THR  91           HB       THR  91   8.294  -8.979   8.405
  654    HG1  THR  91           1HG      THR  91   6.950  -9.711   6.764
  655   1HG2  THR  91          1HG2      THR  91   6.640  -7.892   9.779
  656   2HG2  THR  91          2HG2      THR  91   6.267  -6.739   8.499
  657   3HG2  THR  91          3HG2      THR  91   7.832  -6.682   9.312
  658    HA   PRO  92           HA       PRO  92  11.171  -9.281   4.256
  659   1HB   PRO  92          2HB       PRO  92  12.822 -10.851   5.871
  660   2HB   PRO  92          1HB       PRO  92  13.184  -9.193   5.363
  661   1HG   PRO  92          2HG       PRO  92  12.055 -10.183   7.939
  662   2HG   PRO  92          1HG       PRO  92  13.210  -8.870   7.644
  663   1HD   PRO  92          2HD       PRO  92  10.609  -8.379   8.190
  664   2HD   PRO  92          1HD       PRO  92  11.535  -7.345   7.073
  665    H    GLU  93           H        GLU  93   9.891 -11.073   7.061
  666    HA   GLU  93           HA       GLU  93   9.883 -13.653   5.874
  667   1HB   GLU  93          2HB       GLU  93   7.883 -14.016   7.457
  668   2HB   GLU  93          1HB       GLU  93   9.405 -13.528   8.202
  669   1HG   GLU  93          2HG       GLU  93   8.680 -11.288   8.486
  670   2HG   GLU  93          1HG       GLU  93   7.335 -11.494   7.361
  671    H    LEU  94           H        LEU  94   7.766 -10.895   5.472
  672    HA   LEU  94           HA       LEU  94   5.859 -12.515   3.886
  673   1HB   LEU  94          2HB       LEU  94   5.764  -9.885   5.251
  674   2HB   LEU  94          1HB       LEU  94   4.899  -9.896   3.729
  675    HG   LEU  94           HG       LEU  94   4.496 -11.929   5.954
  676   1HD1  LEU  94          1HD1      LEU  94   2.580 -10.733   6.641
  677   2HD1  LEU  94          2HD1      LEU  94   2.554  -9.751   5.177
  678   3HD1  LEU  94          3HD1      LEU  94   3.795  -9.476   6.401
  679   1HD2  LEU  94          1HD2      LEU  94   3.837 -12.207   3.271
  680   2HD2  LEU  94          2HD2      LEU  94   2.371 -11.523   3.931
  681   3HD2  LEU  94          3HD2      LEU  94   3.020 -13.010   4.599
  682    H    ASP  95           H        ASP  95   8.523 -12.168   2.839
  683    HA   ASP  95           HA       ASP  95   8.614 -10.110   0.847
  684   1HB   ASP  95          2HB       ASP  95  10.448 -11.377  -0.118
  685   2HB   ASP  95          1HB       ASP  95  10.590 -11.431   1.630
  686    H    GLY  96           H        GLY  96   7.818 -10.012  -1.192
  687   1HA   GLY  96          2HA       GLY  96   7.166 -11.128  -3.308
  688   2HA   GLY  96          1HA       GLY  96   6.445 -12.421  -2.348
  689    H    ILE  97           H        ILE  97   5.911  -9.455  -0.913
  690    HA   ILE  97           HA       ILE  97   3.081  -9.593  -1.267
  691    HB   ILE  97           HB       ILE  97   3.621  -8.496   0.695
  692   1HG1  ILE  97          2HG1      ILE  97   3.308  -6.071   0.579
  693   2HG1  ILE  97          1HG1      ILE  97   3.570  -6.085  -1.149
  694   1HG2  ILE  97          1HG2      ILE  97   5.945  -8.475   0.567
  695   2HG2  ILE  97          2HG2      ILE  97   5.543  -6.780   0.694
  696   3HG2  ILE  97          3HG2      ILE  97   5.945  -7.459  -0.847
  697   1HD1  ILE  97          1HD1      ILE  97   1.557  -7.896  -1.012
  698   2HD1  ILE  97          2HD1      ILE  97   1.264  -6.173  -1.137
  699   3HD1  ILE  97          3HD1      ILE  97   1.201  -6.955   0.432
  700    H    VAL  98           H        VAL  98   1.848  -8.919  -2.939
  701    HA   VAL  98           HA       VAL  98   3.062  -7.064  -4.958
  702    HB   VAL  98           HB       VAL  98   0.553  -8.712  -5.238
  703   1HG1  VAL  98          1HG1      VAL  98   2.512  -7.480  -7.189
  704   2HG1  VAL  98          2HG1      VAL  98   0.839  -6.989  -6.920
  705   3HG1  VAL  98          3HG1      VAL  98   1.190  -8.548  -7.658
  706   1HG2  VAL  98          1HG2      VAL  98   2.090 -10.352  -6.433
  707   2HG2  VAL  98          2HG2      VAL  98   2.266 -10.306  -4.683
  708   3HG2  VAL  98          3HG2      VAL  98   3.443  -9.487  -5.711
  709    H    VAL  99           H        VAL  99   2.408  -4.903  -4.686
  710    HA   VAL  99           HA       VAL  99  -0.241  -4.384  -3.428
  711    HB   VAL  99           HB       VAL  99   1.805  -2.298  -4.187
  712   1HG1  VAL  99          1HG1      VAL  99  -0.234  -2.561  -1.950
  713   2HG1  VAL  99          2HG1      VAL  99  -0.380  -1.539  -3.383
  714   3HG1  VAL  99          3HG1      VAL  99   0.850  -1.186  -2.172
  715   1HG2  VAL  99          1HG2      VAL  99   3.063  -4.014  -2.953
  716   2HG2  VAL  99          2HG2      VAL  99   1.850  -3.997  -1.673
  717   3HG2  VAL  99          3HG2      VAL  99   2.845  -2.574  -1.967
  718    H    ASP 100           H        ASP 100  -1.873  -3.512  -4.611
  719    HA   ASP 100           HA       ASP 100  -1.356  -2.828  -7.469
  720   1HB   ASP 100          2HB       ASP 100  -3.513  -4.272  -6.062
  721   2HB   ASP 100          1HB       ASP 100  -4.065  -3.168  -7.326
  722    H    VAL 101           H        VAL 101  -1.471  -0.758  -7.995
  723    HA   VAL 101           HA       VAL 101  -2.955   1.113  -6.191
  724    HB   VAL 101           HB       VAL 101  -0.777   1.875  -8.129
  725   1HG1  VAL 101          1HG1      VAL 101  -0.575   3.791  -6.521
  726   2HG1  VAL 101          2HG1      VAL 101  -1.984   3.169  -5.671
  727   3HG1  VAL 101          3HG1      VAL 101  -2.136   3.714  -7.337
  728   1HG2  VAL 101          1HG2      VAL 101   0.445   1.922  -5.654
  729   2HG2  VAL 101          2HG2      VAL 101   0.614   0.603  -6.812
  730   3HG2  VAL 101          3HG2      VAL 101  -0.562   0.483  -5.506
  731    HA   PRO 102           HA       PRO 102  -5.483   1.672  -9.922
  732   1HB   PRO 102          2HB       PRO 102  -7.368   3.313  -8.921
  733   2HB   PRO 102          1HB       PRO 102  -7.246   1.629  -8.398
  734   1HG   PRO 102          2HG       PRO 102  -6.260   4.079  -7.029
  735   2HG   PRO 102          1HG       PRO 102  -7.131   2.681  -6.370
  736   1HD   PRO 102          2HD       PRO 102  -4.394   2.976  -6.194
  737   2HD   PRO 102          1HD       PRO 102  -5.224   1.401  -6.188
  738    H    ASP 103           H        ASP 103  -6.436   3.568 -11.146
  739    HA   ASP 103           HA       ASP 103  -4.391   5.620 -11.544
  740   1HB   ASP 103          2HB       ASP 103  -6.121   6.425 -13.289
  741   2HB   ASP 103          1HB       ASP 103  -5.351   4.863 -13.564
  742    H    ARG 104           H        ARG 104  -7.176   5.256  -9.651
  743    HA   ARG 104           HA       ARG 104  -7.405   8.216  -9.234
  744   1HB   ARG 104          2HB       ARG 104  -9.783   6.783  -8.363
  745   2HB   ARG 104          1HB       ARG 104  -9.644   8.013  -9.613
  746   1HG   ARG 104          2HG       ARG 104  -8.771   6.106 -11.143
  747   2HG   ARG 104          1HG       ARG 104  -9.365   5.007  -9.897
  748   1HD   ARG 104          2HD       ARG 104 -11.585   5.498 -10.377
  749   2HD   ARG 104          1HD       ARG 104 -11.211   7.112 -10.978
  750    HE   ARG 104           HE       ARG 104 -10.013   5.090 -12.664
  751   1HH1  ARG 104          1HH2      ARG 104 -12.957   6.628 -11.768
  752   2HH1  ARG 104          2HH2      ARG 104 -13.669   6.508 -13.338
  753   1HH2  ARG 104          1HH1      ARG 104 -10.924   4.910 -14.737
  754   2HH2  ARG 104          2HH1      ARG 104 -12.514   5.535 -15.029
  755    H    GLN 105           H        GLN 105  -5.799   8.115  -7.593
  756    HA   GLN 105           HA       GLN 105  -6.148   6.313  -5.320
  757   1HB   GLN 105          2HB       GLN 105  -4.190   7.497  -4.411
  758   2HB   GLN 105          1HB       GLN 105  -3.893   7.023  -6.078
  759   1HG   GLN 105          2HG       GLN 105  -4.758   9.362  -6.717
  760   2HG   GLN 105          1HG       GLN 105  -4.578   9.767  -5.016
  761   1HE2  GLN 105          1HE2      GLN 105  -2.770  11.211  -5.308
  762   2HE2  GLN 105          2HE2      GLN 105  -1.247  10.666  -5.817
  763    H    TRP 106           H        TRP 106  -6.820   9.614  -6.190
  764    HA   TRP 106           HA       TRP 106  -7.930  11.356  -5.074
  765   1HB   TRP 106          2HB       TRP 106  -9.770   9.846  -5.470
  766   2HB   TRP 106          1HB       TRP 106  -9.341   8.881  -4.063
  767    HD1  TRP 106           HD       TRP 106 -10.699   9.387  -2.029
  768    HE1  TRP 106           1HE      TRP 106 -12.068  11.422  -1.151
  769    HE3  TRP 106           3HE      TRP 106  -9.658  12.816  -5.664
  770    HZ2  TRP 106           2HZ      TRP 106 -12.591  14.107  -1.866
  771    HZ3  TRP 106           3HZ      TRP 106 -10.599  15.108  -5.533
  772    HH2  TRP 106           HH       TRP 106 -12.064  15.756  -3.642
  Start of MODEL    8
    1   1H    SER   1          1HT       SER   1  13.519  -7.371   2.188
    2   2H    SER   1          2HT       SER   1  12.707  -7.443   3.674
    3   3H    SER   1          3HT       SER   1  12.398  -6.167   2.599
    4    HA   SER   1           HA       SER   1  11.792  -9.024   2.061
    5   1HB   SER   1          2HB       SER   1   9.383  -7.826   2.147
    6   2HB   SER   1          1HB       SER   1  10.132  -8.499   3.596
    7    HG   SER   1           HG       SER   1   9.388  -6.290   3.781
    8    H    LYS   2           H        LYS   2  10.272  -9.134   0.137
    9    HA   LYS   2           HA       LYS   2  11.216  -7.237  -1.945
   10   1HB   LYS   2          2HB       LYS   2  10.166 -10.037  -1.857
   11   2HB   LYS   2          1HB       LYS   2   9.760  -9.106  -3.295
   12   1HG   LYS   2          2HG       LYS   2  12.610  -9.140  -2.311
   13   2HG   LYS   2          1HG       LYS   2  12.002 -10.522  -3.214
   14   1HD   LYS   2          2HD       LYS   2  11.560  -7.751  -4.320
   15   2HD   LYS   2          1HD       LYS   2  13.147  -8.498  -4.487
   16   1HE   LYS   2          2HE       LYS   2  10.609  -9.921  -5.305
   17   2HE   LYS   2          1HE       LYS   2  11.512  -8.887  -6.416
   18   1HZ   LYS   2          1HZ       LYS   2  13.224 -10.696  -5.043
   19   2HZ   LYS   2          2HZ       LYS   2  13.020 -10.462  -6.716
   20   3HZ   LYS   2          3HZ       LYS   2  12.001 -11.529  -5.871
   21    H    VAL   3           H        VAL   3   9.891  -5.534  -2.358
   22    HA   VAL   3           HA       VAL   3   6.929  -5.883  -1.978
   23    HB   VAL   3           HB       VAL   3   8.792  -3.527  -1.655
   24   1HG1  VAL   3          1HG1      VAL   3   6.822  -2.131  -1.230
   25   2HG1  VAL   3          2HG1      VAL   3   5.763  -3.452  -1.710
   26   3HG1  VAL   3          3HG1      VAL   3   6.838  -2.698  -2.885
   27   1HG2  VAL   3          1HG2      VAL   3   8.648  -4.769   0.333
   28   2HG2  VAL   3          2HG2      VAL   3   6.922  -5.068   0.143
   29   3HG2  VAL   3          3HG2      VAL   3   7.491  -3.461   0.570
   30    H    VAL   4           H        VAL   4   6.053  -6.220  -3.978
   31    HA   VAL   4           HA       VAL   4   7.168  -4.711  -6.295
   32    HB   VAL   4           HB       VAL   4   5.194  -6.974  -6.226
   33   1HG1  VAL   4          1HG1      VAL   4   6.567  -5.475  -8.457
   34   2HG1  VAL   4          2HG1      VAL   4   4.833  -5.692  -8.216
   35   3HG1  VAL   4          3HG1      VAL   4   5.835  -7.062  -8.694
   36   1HG2  VAL   4          1HG2      VAL   4   8.177  -6.846  -6.637
   37   2HG2  VAL   4          2HG2      VAL   4   7.219  -8.178  -7.281
   38   3HG2  VAL   4          3HG2      VAL   4   7.268  -7.886  -5.548
   39    H    TYR   5           H        TYR   5   6.113  -3.083  -7.115
   40    HA   TYR   5           HA       TYR   5   3.367  -2.408  -6.178
   41   1HB   TYR   5          2HB       TYR   5   5.285  -0.582  -7.642
   42   2HB   TYR   5          1HB       TYR   5   3.805  -0.131  -6.806
   43    HD1  TYR   5           1HD      TYR   5   7.308  -0.318  -6.510
   44    HD2  TYR   5           2HD      TYR   5   3.720  -0.826  -4.227
   45    HE1  TYR   5           1HE      TYR   5   8.567   0.114  -4.472
   46    HE2  TYR   5           2HE      TYR   5   5.000  -0.408  -2.143
   47    HH   TYR   5           HH       TYR   5   7.121   0.760  -1.474
   48    H    VAL   6           H        VAL   6   1.832  -3.017  -7.621
   49    HA   VAL   6           HA       VAL   6   2.576  -3.253 -10.501
   50    HB   VAL   6           HB       VAL   6   0.198  -4.252  -8.920
   51   1HG1  VAL   6          1HG1      VAL   6   0.831  -4.343 -11.876
   52   2HG1  VAL   6          2HG1      VAL   6  -0.645  -3.767 -11.100
   53   3HG1  VAL   6          3HG1      VAL   6  -0.272  -5.491 -11.110
   54   1HG2  VAL   6          1HG2      VAL   6   1.199  -6.471  -9.596
   55   2HG2  VAL   6          2HG2      VAL   6   2.222  -5.526  -8.511
   56   3HG2  VAL   6          3HG2      VAL   6   2.587  -5.587 -10.234
   57    H    SER   7           H        SER   7   2.189  -1.496 -11.671
   58    HA   SER   7           HA       SER   7   0.426   0.627 -10.773
   59   1HB   SER   7          2HB       SER   7   1.022   1.636 -13.010
   60   2HB   SER   7          1HB       SER   7   2.411   1.226 -12.009
   61    HG   SER   7           HG       SER   7   1.783   0.349 -14.451
   62    H    HIS   8           H        HIS   8  -0.741   1.411 -13.216
   63    HA   HIS   8           HA       HIS   8  -3.009  -0.465 -13.298
   64   1HB   HIS   8          2HB       HIS   8  -3.703   1.492 -15.083
   65   2HB   HIS   8          1HB       HIS   8  -3.974   1.627 -13.351
   66    HD1  HIS   8           1HD      HIS   8  -1.459   2.452 -12.144
   67    HD2  HIS   8           2HD      HIS   8  -2.515   3.822 -15.933
   68    HE1  HIS   8           1HE      HIS   8  -0.139   4.586 -12.525
   69    HE2  HIS   8           2HE      HIS   8  -0.766   5.420 -14.844
   70    H    ASP   9           H        ASP   9  -0.677   0.979 -15.595
   71    HA   ASP   9           HA       ASP   9  -1.620  -0.576 -17.814
   72   1HB   ASP   9          2HB       ASP   9   0.609   0.124 -18.834
   73   2HB   ASP   9          1HB       ASP   9  -0.441   1.440 -18.311
   74    H    GLY  10           H        GLY  10  -0.130  -1.714 -15.077
   75   1HA   GLY  10          2HA       GLY  10   0.490  -4.024 -14.851
   76   2HA   GLY  10          1HA       GLY  10   0.882  -4.082 -16.568
   77    H    THR  11           H        THR  11   2.222  -1.253 -15.368
   78    HA   THR  11           HA       THR  11   4.895  -2.291 -15.587
   79    HB   THR  11           HB       THR  11   3.656   0.282 -15.420
   80    HG1  THR  11           1HG      THR  11   5.149  -0.385 -16.953
   81   1HG2  THR  11          1HG2      THR  11   5.996  -0.028 -13.502
   82   2HG2  THR  11          2HG2      THR  11   4.345   0.412 -13.053
   83   3HG2  THR  11          3HG2      THR  11   5.314   1.503 -14.041
   84    H    ARG  12           H        ARG  12   6.091  -3.262 -14.085
   85    HA   ARG  12           HA       ARG  12   5.104  -3.339 -11.267
   86   1HB   ARG  12          2HB       ARG  12   7.160  -5.141 -12.563
   87   2HB   ARG  12          1HB       ARG  12   6.327  -5.388 -11.025
   88   1HG   ARG  12          2HG       ARG  12   4.203  -5.671 -12.154
   89   2HG   ARG  12          1HG       ARG  12   4.922  -5.249 -13.707
   90   1HD   ARG  12          2HD       ARG  12   5.523  -7.408 -14.039
   91   2HD   ARG  12          1HD       ARG  12   6.442  -7.419 -12.542
   92    HE   ARG  12           HE       ARG  12   4.253  -7.948 -11.370
   93   1HH1  ARG  12          1HH2      ARG  12   4.747  -8.687 -14.740
   94   2HH1  ARG  12          2HH2      ARG  12   3.528  -9.912 -14.762
   95   1HH2  ARG  12          1HH1      ARG  12   2.718  -9.586 -11.405
   96   2HH2  ARG  12          2HH1      ARG  12   2.393 -10.423 -12.890
   97    H    ARG  13           H        ARG  13   6.683  -3.197  -9.550
   98    HA   ARG  13           HA       ARG  13   9.381  -2.164 -10.176
   99   1HB   ARG  13          2HB       ARG  13   7.136  -0.541  -9.059
  100   2HB   ARG  13          1HB       ARG  13   8.711  -0.322  -8.305
  101   1HG   ARG  13          2HG       ARG  13   9.630   0.698 -10.152
  102   2HG   ARG  13          1HG       ARG  13   8.697  -0.254 -11.292
  103   1HD   ARG  13          2HD       ARG  13   7.140   1.402 -11.494
  104   2HD   ARG  13          1HD       ARG  13   6.954   1.538  -9.751
  105    HE   ARG  13           HE       ARG  13   9.340   2.802 -10.183
  106   1HH1  ARG  13          1HH2      ARG  13   6.255   2.935 -11.723
  107   2HH1  ARG  13          2HH2      ARG  13   6.304   4.652 -11.960
  108   1HH2  ARG  13          1HH1      ARG  13   9.391   5.050 -10.417
  109   2HH2  ARG  13          2HH1      ARG  13   8.071   5.845 -11.215
  110    H    GLU  14           H        GLU  14  10.593  -3.451  -8.859
  111    HA   GLU  14           HA       GLU  14   9.400  -4.453  -6.313
  112   1HB   GLU  14          2HB       GLU  14  12.048  -5.385  -7.422
  113   2HB   GLU  14          1HB       GLU  14  10.858  -6.281  -6.480
  114   1HG   GLU  14          2HG       GLU  14   9.292  -5.992  -8.508
  115   2HG   GLU  14          1HG       GLU  14  10.734  -5.513  -9.400
  116    H    LEU  15           H        LEU  15   9.926  -3.640  -4.502
  117    HA   LEU  15           HA       LEU  15  12.349  -1.946  -4.154
  118   1HB   LEU  15          2HB       LEU  15   9.560  -1.702  -3.504
  119   2HB   LEU  15          1HB       LEU  15  10.427  -1.809  -1.987
  120    HG   LEU  15           HG       LEU  15  10.044   0.468  -2.824
  121   1HD1  LEU  15          1HD1      LEU  15  12.979  -0.088  -2.636
  122   2HD1  LEU  15          2HD1      LEU  15  11.892  -0.207  -1.246
  123   3HD1  LEU  15          3HD1      LEU  15  12.093   1.334  -2.080
  124   1HD2  LEU  15          1HD2      LEU  15  10.989   1.356  -4.736
  125   2HD2  LEU  15          2HD2      LEU  15  10.710  -0.291  -5.286
  126   3HD2  LEU  15          3HD2      LEU  15  12.314   0.210  -4.754
  127    H    ASP  16           H        ASP  16  12.768  -1.831  -1.693
  128    HA   ASP  16           HA       ASP  16  12.803  -4.518  -0.437
  129   1HB   ASP  16          2HB       ASP  16  15.054  -3.882  -1.561
  130   2HB   ASP  16          1HB       ASP  16  15.174  -2.624  -0.334
  131    H    VAL  17           H        VAL  17  11.294  -3.932   1.130
  132    HA   VAL  17           HA       VAL  17  11.722  -1.381   2.652
  133    HB   VAL  17           HB       VAL  17   9.210  -3.092   2.586
  134   1HG1  VAL  17          1HG1      VAL  17   9.920  -0.374   3.584
  135   2HG1  VAL  17          2HG1      VAL  17   8.723  -1.520   4.179
  136   3HG1  VAL  17          3HG1      VAL  17   8.360  -0.521   2.777
  137   1HG2  VAL  17          1HG2      VAL  17   9.643  -2.637   0.286
  138   2HG2  VAL  17          2HG2      VAL  17  10.192  -1.005   0.627
  139   3HG2  VAL  17          3HG2      VAL  17   8.484  -1.404   0.783
  140    H    ALA  18           H        ALA  18  12.790  -1.757   4.512
  141    HA   ALA  18           HA       ALA  18  13.147  -4.371   5.631
  142   1HB   ALA  18          1HB       ALA  18  14.726  -2.425   5.873
  143   2HB   ALA  18          2HB       ALA  18  14.368  -3.266   7.381
  144   3HB   ALA  18          3HB       ALA  18  13.587  -1.725   7.026
  145    H    ASP  19           H        ASP  19  12.743  -4.679   8.075
  146    HA   ASP  19           HA       ASP  19   9.946  -4.905   8.512
  147   1HB   ASP  19          2HB       ASP  19  10.697  -5.463  10.887
  148   2HB   ASP  19          1HB       ASP  19  11.356  -6.468   9.608
  149    H    GLY  20           H        GLY  20   8.538  -3.675   9.565
  150   1HA   GLY  20          2HA       GLY  20   7.741  -1.962  11.036
  151   2HA   GLY  20          1HA       GLY  20   9.404  -1.476  11.318
  152    H    VAL  21           H        VAL  21   9.558  -1.483   8.106
  153    HA   VAL  21           HA       VAL  21   9.035   1.384   7.983
  154    HB   VAL  21           HB       VAL  21   9.873  -0.569   5.840
  155   1HG1  VAL  21          1HG1      VAL  21   9.758   2.439   5.912
  156   2HG1  VAL  21          2HG1      VAL  21   8.926   1.361   4.792
  157   3HG1  VAL  21          3HG1      VAL  21  10.678   1.539   4.701
  158   1HG2  VAL  21          1HG2      VAL  21  12.109   0.056   6.243
  159   2HG2  VAL  21          2HG2      VAL  21  11.425  -0.214   7.846
  160   3HG2  VAL  21          3HG2      VAL  21  11.629   1.431   7.243
  161    H    SER  22           H        SER  22   7.374   2.381   6.824
  162    HA   SER  22           HA       SER  22   5.081   0.640   6.163
  163   1HB   SER  22          2HB       SER  22   3.764   2.512   6.442
  164   2HB   SER  22          1HB       SER  22   5.172   3.094   7.326
  165    HG   SER  22           HG       SER  22   4.505   3.550   4.601
  166    H    LEU  23           H        LEU  23   4.266   0.379   4.122
  167    HA   LEU  23           HA       LEU  23   5.949   0.277   1.928
  168   1HB   LEU  23          2HB       LEU  23   2.981   0.494   2.249
  169   2HB   LEU  23          1HB       LEU  23   3.631   0.645   0.626
  170    HG   LEU  23           HG       LEU  23   2.934  -1.708   1.395
  171   1HD1  LEU  23          1HD1      LEU  23   5.469  -0.898   0.057
  172   2HD1  LEU  23          2HD1      LEU  23   4.118  -1.835  -0.546
  173   3HD1  LEU  23          3HD1      LEU  23   5.309  -2.601   0.481
  174   1HD2  LEU  23          1HD2      LEU  23   4.267  -2.918   2.889
  175   2HD2  LEU  23          2HD2      LEU  23   4.216  -1.333   3.649
  176   3HD2  LEU  23          3HD2      LEU  23   5.637  -1.822   2.735
  177    H    MET  24           H        MET  24   3.942   3.024   2.938
  178    HA   MET  24           HA       MET  24   4.543   4.673   0.672
  179   1HB   MET  24          2HB       MET  24   2.683   5.278   2.054
  180   2HB   MET  24          1HB       MET  24   3.692   5.290   3.499
  181   1HG   MET  24          2HG       MET  24   3.099   7.576   2.544
  182   2HG   MET  24          1HG       MET  24   4.814   7.286   2.828
  183   1HE   MET  24          1HE       MET  24   5.355   9.451   0.827
  184   2HE   MET  24          2HE       MET  24   3.673   9.477   1.345
  185   3HE   MET  24          3HE       MET  24   4.056   9.554  -0.362
  186    H    GLN  25           H        GLN  25   6.191   4.139   3.769
  187    HA   GLN  25           HA       GLN  25   8.027   6.309   3.563
  188   1HB   GLN  25          2HB       GLN  25   7.984   3.719   5.065
  189   2HB   GLN  25          1HB       GLN  25   9.537   4.535   4.924
  190   1HG   GLN  25          2HG       GLN  25   8.416   5.256   6.965
  191   2HG   GLN  25          1HG       GLN  25   8.511   6.604   5.840
  192   1HE2  GLN  25          1HE2      GLN  25   6.447   6.795   4.360
  193   2HE2  GLN  25          2HE2      GLN  25   4.956   6.513   5.119
  194    H    ALA  26           H        ALA  26   8.694   2.823   2.732
  195    HA   ALA  26           HA       ALA  26  11.144   3.424   1.414
  196   1HB   ALA  26          1HB       ALA  26  10.743   1.236   0.217
  197   2HB   ALA  26          2HB       ALA  26   9.167   1.174   1.009
  198   3HB   ALA  26          3HB       ALA  26  10.644   1.150   1.980
  199    H    ALA  27           H        ALA  27   7.829   3.739   0.267
  200    HA   ALA  27           HA       ALA  27   8.409   3.820  -2.529
  201   1HB   ALA  27          1HB       ALA  27   6.235   4.933  -2.717
  202   2HB   ALA  27          2HB       ALA  27   6.247   5.303  -0.998
  203   3HB   ALA  27          3HB       ALA  27   6.115   3.631  -1.537
  204    H    VAL  28           H        VAL  28   8.978   5.995   0.061
  205    HA   VAL  28           HA       VAL  28   9.305   8.371  -1.654
  206    HB   VAL  28           HB       VAL  28   9.800   7.917   1.300
  207   1HG1  VAL  28          1HG1      VAL  28  10.140  10.354  -0.449
  208   2HG1  VAL  28          2HG1      VAL  28  11.297   9.657   0.674
  209   3HG1  VAL  28          3HG1      VAL  28   9.866  10.491   1.278
  210   1HG2  VAL  28          1HG2      VAL  28   7.756   9.112   1.627
  211   2HG2  VAL  28          2HG2      VAL  28   7.417   7.937   0.353
  212   3HG2  VAL  28          3HG2      VAL  28   7.703   9.626  -0.054
  213    H    SER  29           H        SER  29  11.269   5.888  -0.182
  214    HA   SER  29           HA       SER  29  13.804   7.253  -0.481
  215   1HB   SER  29          2HB       SER  29  14.404   5.479   0.805
  216   2HB   SER  29          1HB       SER  29  12.817   4.776   0.537
  217    HG   SER  29           HG       SER  29  13.654   3.453  -0.864
  218    H    ASN  30           H        ASN  30  11.700   5.462  -2.543
  219    HA   ASN  30           HA       ASN  30  13.761   5.389  -4.713
  220   1HB   ASN  30          2HB       ASN  30  11.293   3.734  -4.145
  221   2HB   ASN  30          1HB       ASN  30  12.025   3.786  -5.746
  222   1HD2  ASN  30          1HD2      ASN  30  13.299   3.540  -2.373
  223   2HD2  ASN  30          2HD2      ASN  30  14.339   2.240  -2.711
  224    H    GLY  31           H        GLY  31  11.169   7.059  -3.468
  225   1HA   GLY  31          2HA       GLY  31   9.822   8.771  -4.376
  226   2HA   GLY  31          1HA       GLY  31  10.921   8.780  -5.755
  227    H    ILE  32           H        ILE  32   8.270   6.833  -4.368
  228    HA   ILE  32           HA       ILE  32   7.396   6.183  -7.166
  229    HB   ILE  32           HB       ILE  32   7.458   4.529  -4.644
  230   1HG1  ILE  32          2HG1      ILE  32   8.328   3.886  -7.467
  231   2HG1  ILE  32          1HG1      ILE  32   9.395   4.623  -6.271
  232   1HG2  ILE  32          1HG2      ILE  32   5.267   4.068  -5.403
  233   2HG2  ILE  32          2HG2      ILE  32   6.246   2.782  -6.105
  234   3HG2  ILE  32          3HG2      ILE  32   5.744   4.155  -7.100
  235   1HD1  ILE  32          1HD1      ILE  32   7.925   2.014  -5.852
  236   2HD1  ILE  32          2HD1      ILE  32   9.144   2.723  -4.792
  237   3HD1  ILE  32          3HD1      ILE  32   9.598   2.127  -6.391
  238    H    TYR  33           H        TYR  33   6.054   6.326  -3.825
  239    HA   TYR  33           HA       TYR  33   3.454   7.145  -5.028
  240   1HB   TYR  33          2HB       TYR  33   3.954   5.416  -2.961
  241   2HB   TYR  33          1HB       TYR  33   3.652   6.898  -2.063
  242    HD1  TYR  33           1HD      TYR  33   1.520   8.212  -2.543
  243    HD2  TYR  33           2HD      TYR  33   2.170   4.215  -3.976
  244    HE1  TYR  33           1HE      TYR  33  -0.910   7.968  -2.965
  245    HE2  TYR  33           2HE      TYR  33  -0.259   3.969  -4.394
  246    HH   TYR  33           HH       TYR  33  -2.245   5.942  -4.888
  247    H    ASP  34           H        ASP  34   6.219   8.546  -3.716
  248    HA   ASP  34           HA       ASP  34   5.555  10.666  -2.117
  249   1HB   ASP  34          2HB       ASP  34   7.237  12.053  -3.348
  250   2HB   ASP  34          1HB       ASP  34   7.814  10.426  -2.981
  251    H    ILE  35           H        ILE  35   4.935  10.557  -5.605
  252    HA   ILE  35           HA       ILE  35   3.928  13.097  -6.116
  253    HB   ILE  35           HB       ILE  35   2.734  10.460  -7.022
  254   1HG1  ILE  35          2HG1      ILE  35   4.567  12.358  -8.512
  255   2HG1  ILE  35          1HG1      ILE  35   5.175  11.003  -7.558
  256   1HG2  ILE  35          1HG2      ILE  35   1.075  12.136  -7.411
  257   2HG2  ILE  35          2HG2      ILE  35   1.914  11.932  -8.946
  258   3HG2  ILE  35          3HG2      ILE  35   2.284  13.316  -7.913
  259   1HD1  ILE  35          1HD1      ILE  35   3.198  10.784  -9.846
  260   2HD1  ILE  35          2HD1      ILE  35   3.846   9.437  -8.909
  261   3HD1  ILE  35          3HD1      ILE  35   4.914  10.388  -9.941
  262    H    VAL  36           H        VAL  36   2.443  14.307  -5.053
  263    HA   VAL  36           HA       VAL  36   0.629  14.901  -3.701
  264    HB   VAL  36           HB       VAL  36  -0.537  12.337  -4.836
  265   1HG1  VAL  36          1HG1      VAL  36  -1.721  14.671  -3.324
  266   2HG1  VAL  36          2HG1      VAL  36  -1.847  12.953  -2.942
  267   3HG1  VAL  36          3HG1      VAL  36  -2.704  13.614  -4.334
  268   1HG2  VAL  36          1HG2      VAL  36  -1.024  15.186  -5.726
  269   2HG2  VAL  36          2HG2      VAL  36  -1.459  13.696  -6.561
  270   3HG2  VAL  36          3HG2      VAL  36   0.233  14.179  -6.445
  271    H    GLY  37           H        GLY  37  -0.532  14.294  -1.716
  272   1HA   GLY  37          2HA       GLY  37  -0.488  11.965  -0.264
  273   2HA   GLY  37          1HA       GLY  37   1.140  12.601  -0.011
  274    H    ASP  38           H        ASP  38  -1.903  12.596   1.302
  275    HA   ASP  38           HA       ASP  38  -1.888  15.395   2.243
  276   1HB   ASP  38          2HB       ASP  38  -4.008  14.150   1.678
  277   2HB   ASP  38          1HB       ASP  38  -3.713  13.136   3.090
  278    H    CYS  39           H        CYS  39  -2.337  12.385   4.136
  279    HA   CYS  39           HA       CYS  39  -1.140  13.595   6.468
  280   1HB   CYS  39          2HB       CYS  39  -1.565  11.563   7.576
  281   2HB   CYS  39          1HB       CYS  39  -2.837  11.635   6.361
  282    H    GLY  40           H        GLY  40   0.448  13.174   3.811
  283   1HA   GLY  40          2HA       GLY  40   2.651  12.595   3.219
  284   2HA   GLY  40          1HA       GLY  40   3.030  13.036   4.886
  285    H    GLY  41           H        GLY  41   0.719  10.562   4.584
  286   1HA   GLY  41          2HA       GLY  41   0.954   8.183   4.579
  287   2HA   GLY  41          1HA       GLY  41   2.705   8.365   4.693
  288    H    SER  42           H        SER  42   0.724  10.298   6.765
  289    HA   SER  42           HA       SER  42   1.782   8.826   9.120
  290   1HB   SER  42          2HB       SER  42   0.163  11.379   9.126
  291   2HB   SER  42          1HB       SER  42   1.221  10.765  10.396
  292    HG   SER  42           HG       SER  42   2.486  12.177   9.359
  293    H    ALA  43           H        ALA  43  -0.331   7.572   7.564
  294    HA   ALA  43           HA       ALA  43  -2.496   6.662   7.818
  295   1HB   ALA  43          1HB       ALA  43  -1.029   5.630   9.645
  296   2HB   ALA  43          2HB       ALA  43  -2.771   5.559   9.913
  297   3HB   ALA  43          3HB       ALA  43  -1.798   6.763  10.758
  298    H    SER  44           H        SER  44  -3.383   8.930   7.251
  299    HA   SER  44           HA       SER  44  -5.411   9.601   9.223
  300   1HB   SER  44          2HB       SER  44  -3.157  10.850   9.836
  301   2HB   SER  44          1HB       SER  44  -3.652  11.942   8.548
  302    HG   SER  44           HG       SER  44  -4.767  11.471  11.038
  303    H    CYS  45           H        CYS  45  -4.808   8.990   6.222
  304    HA   CYS  45           HA       CYS  45  -6.946  10.746   5.228
  305   1HB   CYS  45          2HB       CYS  45  -5.755  11.883   3.576
  306   2HB   CYS  45          1HB       CYS  45  -4.588  11.870   4.881
  307    H    ALA  46           H        ALA  46  -6.774  10.176   2.543
  308    HA   ALA  46           HA       ALA  46  -6.678   7.185   2.378
  309   1HB   ALA  46          1HB       ALA  46  -9.040   8.257   2.662
  310   2HB   ALA  46          2HB       ALA  46  -8.803   7.070   1.381
  311   3HB   ALA  46          3HB       ALA  46  -8.828   8.790   0.993
  312    H    THR  47           H        THR  47  -5.223   9.829   1.369
  313    HA   THR  47           HA       THR  47  -5.382   9.908  -1.443
  314    HB   THR  47           HB       THR  47  -3.003  10.747  -1.331
  315    HG1  THR  47           1HG      THR  47  -3.296   9.628   1.149
  316   1HG2  THR  47          1HG2      THR  47  -5.037  12.192  -0.984
  317   2HG2  THR  47          2HG2      THR  47  -3.584  12.787  -0.178
  318   3HG2  THR  47          3HG2      THR  47  -4.831  11.960   0.751
  319    H    CYS  48           H        CYS  48  -3.406   7.813   0.661
  320    HA   CYS  48           HA       CYS  48  -2.202   6.485  -1.630
  321   1HB   CYS  48          2HB       CYS  48  -1.100   5.074  -0.025
  322   2HB   CYS  48          1HB       CYS  48  -1.062   6.725   0.588
  323    H    HIS  49           H        HIS  49  -4.748   6.264  -2.226
  324    HA   HIS  49           HA       HIS  49  -6.068   3.898  -1.132
  325   1HB   HIS  49          2HB       HIS  49  -7.507   5.585  -2.054
  326   2HB   HIS  49          1HB       HIS  49  -6.526   5.724  -3.488
  327    HD1  HIS  49           1HD      HIS  49  -8.758   3.044  -1.856
  328    HD2  HIS  49           2HD      HIS  49  -7.534   4.377  -5.591
  329    HE1  HIS  49           1HE      HIS  49  -9.956   1.586  -3.596
  330    HE2  HIS  49           2HE      HIS  49  -9.196   2.403  -5.850
  331    H    VAL  50           H        VAL  50  -4.944   1.951  -1.507
  332    HA   VAL  50           HA       VAL  50  -4.389   1.291  -4.361
  333    HB   VAL  50           HB       VAL  50  -2.156   0.753  -4.076
  334   1HG1  VAL  50          1HG1      VAL  50  -2.484   3.169  -3.562
  335   2HG1  VAL  50          2HG1      VAL  50  -1.061   2.490  -2.769
  336   3HG1  VAL  50          3HG1      VAL  50  -2.533   2.768  -1.845
  337   1HG2  VAL  50          1HG2      VAL  50  -2.293  -0.912  -2.368
  338   2HG2  VAL  50          2HG2      VAL  50  -2.839   0.260  -1.164
  339   3HG2  VAL  50          3HG2      VAL  50  -1.174   0.304  -1.742
  340    H    TYR  51           H        TYR  51  -4.023  -1.069  -4.642
  341    HA   TYR  51           HA       TYR  51  -5.745  -2.624  -2.763
  342   1HB   TYR  51          2HB       TYR  51  -5.178  -2.952  -5.698
  343   2HB   TYR  51          1HB       TYR  51  -6.201  -4.014  -4.774
  344    HD1  TYR  51           1HD      TYR  51  -7.954  -2.406  -3.169
  345    HD2  TYR  51           2HD      TYR  51  -6.338  -1.463  -7.050
  346    HE1  TYR  51           1HE      TYR  51  -9.742  -0.747  -3.518
  347    HE2  TYR  51           2HE      TYR  51  -8.171   0.142  -7.390
  348    HH   TYR  51           HH       TYR  51 -10.808   0.490  -5.168
  349    H    VAL  52           H        VAL  52  -4.540  -3.814  -1.487
  350    HA   VAL  52           HA       VAL  52  -1.883  -4.808  -2.259
  351    HB   VAL  52           HB       VAL  52  -3.484  -5.207   0.276
  352   1HG1  VAL  52          1HG1      VAL  52  -0.641  -5.960  -0.434
  353   2HG1  VAL  52          2HG1      VAL  52  -1.945  -7.052   0.025
  354   3HG1  VAL  52          3HG1      VAL  52  -1.264  -5.937   1.211
  355   1HG2  VAL  52          1HG2      VAL  52  -2.087  -3.529   1.250
  356   2HG2  VAL  52          2HG2      VAL  52  -2.650  -2.858  -0.269
  357   3HG2  VAL  52          3HG2      VAL  52  -1.016  -3.508  -0.143
  358    H    ASN  53           H        ASN  53  -1.469  -6.927  -2.916
  359    HA   ASN  53           HA       ASN  53  -3.510  -8.572  -3.893
  360   1HB   ASN  53          2HB       ASN  53  -1.407  -9.232  -4.611
  361   2HB   ASN  53          1HB       ASN  53  -0.684  -9.035  -3.020
  362   1HD2  ASN  53          1HD2      ASN  53   0.237 -11.158  -2.967
  363   2HD2  ASN  53          2HD2      ASN  53  -0.714 -12.561  -2.864
  364    H    GLU  54           H        GLU  54  -5.116  -9.622  -2.875
  365    HA   GLU  54           HA       GLU  54  -5.602  -9.569  -0.123
  366   1HB   GLU  54          2HB       GLU  54  -7.340 -11.208  -0.531
  367   2HB   GLU  54          1HB       GLU  54  -7.271 -10.102  -1.902
  368   1HG   GLU  54          2HG       GLU  54  -5.716 -11.793  -3.019
  369   2HG   GLU  54          1HG       GLU  54  -6.172 -12.916  -1.733
  370    H    ALA  55           H        ALA  55  -2.935 -11.038  -1.161
  371    HA   ALA  55           HA       ALA  55  -3.233 -13.490   0.501
  372   1HB   ALA  55          1HB       ALA  55  -1.512 -14.435  -0.722
  373   2HB   ALA  55          2HB       ALA  55  -0.725 -12.886  -1.028
  374   3HB   ALA  55          3HB       ALA  55  -2.168 -13.333  -1.935
  375    H    PHE  56           H        PHE  56  -1.902 -10.269   0.634
  376    HA   PHE  56           HA       PHE  56  -0.162 -11.049   2.950
  377   1HB   PHE  56          2HB       PHE  56  -0.062  -8.707   1.014
  378   2HB   PHE  56          1HB       PHE  56   0.982  -8.862   2.421
  379    HD1  PHE  56           1HD      PHE  56  -0.017 -10.576  -0.735
  380    HD2  PHE  56           2HD      PHE  56   2.963 -10.167   2.317
  381    HE1  PHE  56           1HE      PHE  56   1.503 -12.062  -2.012
  382    HE2  PHE  56           2HE      PHE  56   4.468 -11.662   1.070
  383    HZ   PHE  56           HZ       PHE  56   3.748 -12.608  -1.108
  384    H    THR  57           H        THR  57  -3.050  -9.522   2.036
  385    HA   THR  57           HA       THR  57  -3.093  -7.401   4.007
  386    HB   THR  57           HB       THR  57  -5.633  -7.558   3.620
  387    HG1  THR  57           1HG      THR  57  -5.213  -9.854   2.860
  388   1HG2  THR  57          1HG2      THR  57  -5.478  -6.436   1.538
  389   2HG2  THR  57          2HG2      THR  57  -4.026  -7.321   1.079
  390   3HG2  THR  57          3HG2      THR  57  -3.953  -6.100   2.352
  391    H    ASP  58           H        ASP  58  -4.301 -10.736   3.944
  392    HA   ASP  58           HA       ASP  58  -5.305 -10.506   6.703
  393   1HB   ASP  58          2HB       ASP  58  -6.118 -12.769   6.398
  394   2HB   ASP  58          1HB       ASP  58  -6.493 -11.856   4.940
  395    H    LYS  59           H        LYS  59  -2.330 -10.511   5.728
  396    HA   LYS  59           HA       LYS  59  -1.373 -12.470   7.796
  397   1HB   LYS  59          2HB       LYS  59   0.232 -11.676   5.383
  398   2HB   LYS  59          1HB       LYS  59   0.375 -13.122   6.380
  399   1HG   LYS  59          2HG       LYS  59  -2.062 -13.631   5.533
  400   2HG   LYS  59          1HG       LYS  59  -1.690 -12.454   4.271
  401   1HD   LYS  59          2HD       LYS  59  -1.211 -14.733   3.495
  402   2HD   LYS  59          1HD       LYS  59   0.283 -13.815   3.616
  403   1HE   LYS  59          2HE       LYS  59   1.072 -15.088   5.381
  404   2HE   LYS  59          1HE       LYS  59  -0.547 -15.408   6.010
  405   1HZ   LYS  59          1HZ       LYS  59  -0.691 -16.647   3.678
  406   2HZ   LYS  59          2HZ       LYS  59  -0.156 -17.412   5.099
  407   3HZ   LYS  59          3HZ       LYS  59   0.970 -16.818   3.969
  408    H    VAL  60           H        VAL  60  -0.817  -9.399   6.120
  409    HA   VAL  60           HA       VAL  60   1.259  -8.596   8.013
  410    HB   VAL  60           HB       VAL  60   0.549  -7.887   5.430
  411   1HG1  VAL  60          1HG1      VAL  60   0.002  -5.474   5.434
  412   2HG1  VAL  60          2HG1      VAL  60  -0.281  -5.555   7.167
  413   3HG1  VAL  60          3HG1      VAL  60  -1.291  -6.483   6.072
  414   1HG2  VAL  60          1HG2      VAL  60   2.652  -7.109   7.278
  415   2HG2  VAL  60          2HG2      VAL  60   2.220  -5.763   6.240
  416   3HG2  VAL  60          3HG2      VAL  60   2.713  -7.302   5.534
  417    HA   PRO  61           HA       PRO  61  -1.249  -6.987  11.198
  418   1HB   PRO  61          2HB       PRO  61  -0.660  -4.166  11.233
  419   2HB   PRO  61          1HB       PRO  61  -0.002  -5.434  12.278
  420   1HG   PRO  61          2HG       PRO  61   1.274  -4.061  10.083
  421   2HG   PRO  61          1HG       PRO  61   1.980  -5.200  11.235
  422   1HD   PRO  61          2HD       PRO  61   1.428  -5.673   8.498
  423   2HD   PRO  61          1HD       PRO  61   1.949  -6.881   9.666
  424    H    ALA  62           H        ALA  62  -3.335  -7.157  10.626
  425    HA   ALA  62           HA       ALA  62  -4.700  -5.525   8.698
  426   1HB   ALA  62          1HB       ALA  62  -6.743  -6.622   9.711
  427   2HB   ALA  62          2HB       ALA  62  -5.679  -7.396  10.882
  428   3HB   ALA  62          3HB       ALA  62  -5.518  -7.771   9.165
  429    H    ALA  63           H        ALA  63  -4.717  -3.338   9.258
  430    HA   ALA  63           HA       ALA  63  -4.754  -2.232  11.808
  431   1HB   ALA  63          1HB       ALA  63  -4.540  -1.231   9.355
  432   2HB   ALA  63          2HB       ALA  63  -5.084  -0.216  10.689
  433   3HB   ALA  63          3HB       ALA  63  -6.260  -0.905   9.570
  434    H    ASN  64           H        ASN  64  -6.359  -1.504  13.161
  435    HA   ASN  64           HA       ASN  64  -8.744  -3.064  13.378
  436   1HB   ASN  64          2HB       ASN  64  -9.458  -1.389  15.097
  437   2HB   ASN  64          1HB       ASN  64  -7.844  -2.035  15.364
  438   1HD2  ASN  64          1HD2      ASN  64  -5.988  -0.612  14.619
  439   2HD2  ASN  64          2HD2      ASN  64  -6.212   1.071  14.614
  440    H    GLU  65           H        GLU  65 -10.898  -1.483  13.831
  441    HA   GLU  65           HA       GLU  65 -11.842  -0.937  11.162
  442   1HB   GLU  65          2HB       GLU  65 -13.912  -0.200  12.262
  443   2HB   GLU  65          1HB       GLU  65 -13.335  -1.715  12.960
  444   1HG   GLU  65          2HG       GLU  65 -12.127  -0.227  14.697
  445   2HG   GLU  65          1HG       GLU  65 -13.183   1.065  14.132
  446    H    ARG  66           H        ARG  66  -9.793   0.984  12.913
  447    HA   ARG  66           HA       ARG  66 -11.025   3.565  12.619
  448   1HB   ARG  66          2HB       ARG  66  -8.218   2.557  13.018
  449   2HB   ARG  66          1HB       ARG  66  -8.450   4.244  12.568
  450   1HG   ARG  66          2HG       ARG  66  -9.864   4.644  14.486
  451   2HG   ARG  66          1HG       ARG  66  -9.880   2.934  14.897
  452   1HD   ARG  66          2HD       ARG  66  -7.919   3.124  16.045
  453   2HD   ARG  66          1HD       ARG  66  -7.139   3.960  14.705
  454    HE   ARG  66           HE       ARG  66  -9.014   5.527  16.391
  455   1HH1  ARG  66          1HH2      ARG  66  -5.774   4.718  15.440
  456   2HH1  ARG  66          2HH2      ARG  66  -5.092   6.150  16.133
  457   1HH2  ARG  66          1HH1      ARG  66  -8.118   7.373  17.301
  458   2HH2  ARG  66          2HH1      ARG  66  -6.408   7.642  17.191
  459    H    GLU  67           H        GLU  67  -8.942   1.622  10.525
  460    HA   GLU  67           HA       GLU  67  -8.847   3.620   8.409
  461   1HB   GLU  67          2HB       GLU  67  -8.128   0.671   8.403
  462   2HB   GLU  67          1HB       GLU  67  -7.701   1.837   7.149
  463   1HG   GLU  67          2HG       GLU  67  -5.783   1.600   8.593
  464   2HG   GLU  67          1HG       GLU  67  -6.501   3.177   8.931
  465    H    ILE  68           H        ILE  68 -10.486   0.495   8.849
  466    HA   ILE  68           HA       ILE  68 -11.775   0.215   6.405
  467    HB   ILE  68           HB       ILE  68 -13.140  -0.240   9.079
  468   1HG1  ILE  68          2HG1      ILE  68 -11.253  -2.001   7.479
  469   2HG1  ILE  68          1HG1      ILE  68 -10.902  -1.262   9.038
  470   1HG2  ILE  68          1HG2      ILE  68 -14.389  -1.951   7.868
  471   2HG2  ILE  68          2HG2      ILE  68 -13.448  -1.652   6.407
  472   3HG2  ILE  68          3HG2      ILE  68 -14.557  -0.423   7.006
  473   1HD1  ILE  68          1HD1      ILE  68 -12.865  -3.464   8.405
  474   2HD1  ILE  68          2HD1      ILE  68 -13.001  -2.515   9.885
  475   3HD1  ILE  68          3HD1      ILE  68 -11.551  -3.470   9.583
  476    H    GLY  69           H        GLY  69 -12.321   2.717   8.764
  477   1HA   GLY  69          2HA       GLY  69 -14.908   3.513   7.573
  478   2HA   GLY  69          1HA       GLY  69 -14.074   4.343   8.887
  479    H    MET  70           H        MET  70 -11.524   4.362   7.360
  480    HA   MET  70           HA       MET  70 -11.996   6.853   5.867
  481   1HB   MET  70          2HB       MET  70  -9.459   5.182   6.022
  482   2HB   MET  70          1HB       MET  70  -9.582   6.873   5.542
  483   1HG   MET  70          2HG       MET  70 -10.226   7.542   7.768
  484   2HG   MET  70          1HG       MET  70 -10.412   5.864   8.273
  485   1HE   MET  70          1HE       MET  70  -8.278   5.125  10.081
  486   2HE   MET  70          2HE       MET  70  -9.289   6.564  10.198
  487   3HE   MET  70          3HE       MET  70  -7.549   6.695  10.438
  488    H    LEU  71           H        LEU  71 -11.378   3.459   5.204
  489    HA   LEU  71           HA       LEU  71 -10.981   3.730   2.368
  490   1HB   LEU  71          2HB       LEU  71 -11.830   1.470   4.178
  491   2HB   LEU  71          1HB       LEU  71 -11.823   1.257   2.435
  492    HG   LEU  71           HG       LEU  71  -9.431   2.190   4.039
  493   1HD1  LEU  71          1HD1      LEU  71 -10.249  -0.197   4.487
  494   2HD1  LEU  71          2HD1      LEU  71  -8.578  -0.032   3.952
  495   3HD1  LEU  71          3HD1      LEU  71  -9.820  -0.543   2.809
  496   1HD2  LEU  71          1HD2      LEU  71  -8.397   1.202   1.725
  497   2HD2  LEU  71          2HD2      LEU  71  -8.879   2.884   1.897
  498   3HD2  LEU  71          3HD2      LEU  71  -9.963   1.736   1.124
  499    H    GLU  72           H        GLU  72 -13.737   3.879   4.442
  500    HA   GLU  72           HA       GLU  72 -15.673   3.439   2.263
  501   1HB   GLU  72          2HB       GLU  72 -15.984   2.853   4.782
  502   2HB   GLU  72          1HB       GLU  72 -16.288   4.574   5.002
  503   1HG   GLU  72          2HG       GLU  72 -18.435   3.588   4.657
  504   2HG   GLU  72          1HG       GLU  72 -18.027   4.344   3.123
  505    H    CYS  73           H        CYS  73 -13.548   5.660   2.465
  506    HA   CYS  73           HA       CYS  73 -15.385   7.938   1.834
  507   1HB   CYS  73          2HB       CYS  73 -13.614   7.709   4.078
  508   2HB   CYS  73          1HB       CYS  73 -12.930   8.925   3.010
  509    HG   CYS  73           HG       CYS  73 -15.017  10.372   3.294
  510    H    VAL  74           H        VAL  74 -13.710   5.968   0.143
  511    HA   VAL  74           HA       VAL  74 -11.766   7.861  -1.070
  512    HB   VAL  74           HB       VAL  74 -11.124   5.913  -2.466
  513   1HG1  VAL  74          1HG1      VAL  74  -9.777   6.300  -0.580
  514   2HG1  VAL  74          2HG1      VAL  74 -10.199   4.591  -0.460
  515   3HG1  VAL  74          3HG1      VAL  74 -11.034   5.780   0.538
  516   1HG2  VAL  74          1HG2      VAL  74 -13.588   4.866  -1.792
  517   2HG2  VAL  74          2HG2      VAL  74 -12.534   4.009  -0.675
  518   3HG2  VAL  74          3HG2      VAL  74 -12.241   3.921  -2.411
  519    H    THR  75           H        THR  75 -11.710   7.778  -3.556
  520    HA   THR  75           HA       THR  75 -14.493   8.147  -4.585
  521    HB   THR  75           HB       THR  75 -11.968   9.070  -5.980
  522    HG1  THR  75           1HG      THR  75 -12.863   9.828  -3.564
  523   1HG2  THR  75          1HG2      THR  75 -14.807  10.140  -5.845
  524   2HG2  THR  75          2HG2      THR  75 -14.116   9.223  -7.187
  525   3HG2  THR  75          3HG2      THR  75 -13.495  10.827  -6.802
  526    H    ALA  76           H        ALA  76 -12.075   5.795  -4.639
  527    HA   ALA  76           HA       ALA  76 -12.661   4.982  -7.458
  528   1HB   ALA  76          1HB       ALA  76 -10.670   3.368  -6.863
  529   2HB   ALA  76          2HB       ALA  76 -10.409   4.500  -5.535
  530   3HB   ALA  76          3HB       ALA  76 -10.338   5.067  -7.200
  531    H    GLU  77           H        GLU  77 -12.729   2.515  -7.734
  532    HA   GLU  77           HA       GLU  77 -14.911   1.428  -6.290
  533   1HB   GLU  77          2HB       GLU  77 -14.843   0.169  -8.196
  534   2HB   GLU  77          1HB       GLU  77 -13.226   0.755  -8.526
  535   1HG   GLU  77          2HG       GLU  77 -12.218  -1.100  -7.373
  536   2HG   GLU  77          1HG       GLU  77 -13.758  -1.586  -6.664
  537    H    LEU  78           H        LEU  78 -14.778   0.845  -4.114
  538    HA   LEU  78           HA       LEU  78 -12.222   0.124  -2.947
  539   1HB   LEU  78          2HB       LEU  78 -14.458   1.089  -1.813
  540   2HB   LEU  78          1HB       LEU  78 -14.787  -0.626  -1.569
  541    HG   LEU  78           HG       LEU  78 -12.438  -0.817  -0.592
  542   1HD1  LEU  78          1HD1      LEU  78 -12.296   1.888  -1.493
  543   2HD1  LEU  78          2HD1      LEU  78 -11.052   0.921  -0.748
  544   3HD1  LEU  78          3HD1      LEU  78 -12.118   1.898   0.242
  545   1HD2  LEU  78          1HD2      LEU  78 -13.209  -0.377   1.552
  546   2HD2  LEU  78          2HD2      LEU  78 -14.742  -0.397   0.685
  547   3HD2  LEU  78          3HD2      LEU  78 -13.975   1.141   1.088
  548    H    LYS  79           H        LYS  79 -11.767  -1.817  -1.886
  549    HA   LYS  79           HA       LYS  79 -12.812  -4.233  -3.289
  550   1HB   LYS  79          2HB       LYS  79 -10.072  -3.191  -2.677
  551   2HB   LYS  79          1HB       LYS  79 -10.286  -4.941  -2.725
  552   1HG   LYS  79          2HG       LYS  79 -11.209  -3.152  -4.973
  553   2HG   LYS  79          1HG       LYS  79  -9.561  -3.752  -4.897
  554   1HD   LYS  79          2HD       LYS  79 -10.476  -6.092  -4.753
  555   2HD   LYS  79          1HD       LYS  79 -12.081  -5.434  -5.057
  556   1HE   LYS  79          2HE       LYS  79  -9.679  -5.249  -6.885
  557   2HE   LYS  79          1HE       LYS  79 -11.155  -6.172  -7.172
  558   1HZ   LYS  79          1HZ       LYS  79 -10.898  -3.222  -7.000
  559   2HZ   LYS  79          2HZ       LYS  79 -12.383  -4.043  -7.066
  560   3HZ   LYS  79          3HZ       LYS  79 -11.297  -4.136  -8.371
  561    HA   PRO  80           HA       PRO  80 -13.651  -5.779   0.785
  562   1HB   PRO  80          2HB       PRO  80 -12.661  -8.411   0.533
  563   2HB   PRO  80          1HB       PRO  80 -14.297  -7.880   0.099
  564   1HG   PRO  80          2HG       PRO  80 -11.925  -8.334  -1.635
  565   2HG   PRO  80          1HG       PRO  80 -13.645  -8.590  -1.978
  566   1HD   PRO  80          2HD       PRO  80 -12.278  -6.468  -2.979
  567   2HD   PRO  80          1HD       PRO  80 -14.000  -6.357  -2.549
  568    H    ASN  81           H        ASN  81 -10.522  -5.984  -0.653
  569    HA   ASN  81           HA       ASN  81  -9.220  -6.012   2.037
  570   1HB   ASN  81          2HB       ASN  81  -7.568  -7.428   1.260
  571   2HB   ASN  81          1HB       ASN  81  -8.878  -7.951   0.205
  572   1HD2  ASN  81          1HD2      ASN  81  -8.809  -7.245  -2.063
  573   2HD2  ASN  81          2HD2      ASN  81  -7.383  -6.633  -2.748
  574    H    SER  82           H        SER  82 -10.185  -3.601   0.399
  575    HA   SER  82           HA       SER  82  -8.028  -2.315  -0.853
  576   1HB   SER  82          2HB       SER  82 -10.396  -1.307   0.703
  577   2HB   SER  82          1HB       SER  82  -9.201  -0.196   0.034
  578    HG   SER  82           HG       SER  82 -10.284  -0.420  -1.738
  579    H    ARG  83           H        ARG  83  -6.910  -0.345   0.206
  580    HA   ARG  83           HA       ARG  83  -6.444  -0.454   3.088
  581   1HB   ARG  83          2HB       ARG  83  -4.950  -2.261   1.361
  582   2HB   ARG  83          1HB       ARG  83  -3.833  -1.168   2.157
  583   1HG   ARG  83          2HG       ARG  83  -5.979  -2.626   3.740
  584   2HG   ARG  83          1HG       ARG  83  -4.455  -3.402   3.351
  585   1HD   ARG  83          2HD       ARG  83  -3.707  -0.888   4.385
  586   2HD   ARG  83          1HD       ARG  83  -5.030  -1.425   5.414
  587    HE   ARG  83           HE       ARG  83  -2.413  -2.644   5.233
  588   1HH1  ARG  83          1HH2      ARG  83  -5.762  -3.154   5.885
  589   2HH1  ARG  83          2HH2      ARG  83  -5.471  -4.419   7.040
  590   1HH2  ARG  83          1HH1      ARG  83  -1.996  -4.272   6.718
  591   2HH2  ARG  83          2HH1      ARG  83  -3.319  -5.050   7.524
  592    H    LEU  84           H        LEU  84  -4.677   0.957   3.803
  593    HA   LEU  84           HA       LEU  84  -4.218   3.238   1.922
  594   1HB   LEU  84          2HB       LEU  84  -3.975   3.097   4.943
  595   2HB   LEU  84          1HB       LEU  84  -3.783   4.544   3.988
  596    HG   LEU  84           HG       LEU  84  -5.992   4.624   4.900
  597   1HD1  LEU  84          1HD1      LEU  84  -5.614   5.075   2.363
  598   2HD1  LEU  84          2HD1      LEU  84  -7.266   4.938   2.958
  599   3HD1  LEU  84          3HD1      LEU  84  -6.520   3.580   2.124
  600   1HD2  LEU  84          1HD2      LEU  84  -6.861   2.040   3.634
  601   2HD2  LEU  84          2HD2      LEU  84  -7.470   2.860   5.071
  602   3HD2  LEU  84          3HD2      LEU  84  -5.962   1.961   5.150
  603    H    CYS  85           H        CYS  85  -2.391   2.533   0.881
  604    HA   CYS  85           HA       CYS  85  -0.342   0.941   1.485
  605   1HB   CYS  85          2HB       CYS  85  -0.677   2.805  -0.409
  606   2HB   CYS  85          1HB       CYS  85   0.605   3.590   0.499
  607    HG   CYS  85           HG       CYS  85   2.212   1.744  -0.109
  608    H    CYS  86           H        CYS  86  -0.463   4.248   2.922
  609    HA   CYS  86           HA       CYS  86   2.110   3.835   4.197
  610   1HB   CYS  86          2HB       CYS  86   1.754   5.962   5.225
  611   2HB   CYS  86          1HB       CYS  86   1.093   6.064   3.595
  612    H    GLN  87           H        GLN  87  -1.051   2.799   5.064
  613    HA   GLN  87           HA       GLN  87  -0.338   2.653   7.946
  614   1HB   GLN  87          2HB       GLN  87  -2.875   1.808   6.521
  615   2HB   GLN  87          1HB       GLN  87  -2.641   1.913   8.271
  616   1HG   GLN  87          2HG       GLN  87  -2.126   4.332   8.036
  617   2HG   GLN  87          1HG       GLN  87  -2.462   4.219   6.312
  618   1HE2  GLN  87          1HE2      GLN  87  -4.765   2.489   6.425
  619   2HE2  GLN  87          2HE2      GLN  87  -6.023   3.340   7.181
  620    H    ILE  88           H        ILE  88   1.226   1.028   6.119
  621    HA   ILE  88           HA       ILE  88   0.484  -1.680   7.153
  622    HB   ILE  88           HB       ILE  88   1.208  -0.887   4.314
  623   1HG1  ILE  88          2HG1      ILE  88  -0.835  -2.746   5.529
  624   2HG1  ILE  88          1HG1      ILE  88  -1.156  -1.077   5.070
  625   1HG2  ILE  88          1HG2      ILE  88   1.503  -3.621   5.605
  626   2HG2  ILE  88          2HG2      ILE  88   2.777  -2.688   4.832
  627   3HG2  ILE  88          3HG2      ILE  88   1.470  -3.356   3.865
  628   1HD1  ILE  88          1HD1      ILE  88  -1.450  -1.652   2.903
  629   2HD1  ILE  88          2HD1      ILE  88  -1.457  -3.325   3.449
  630   3HD1  ILE  88          3HD1      ILE  88   0.039  -2.602   2.868
  631    H    ILE  89           H        ILE  89   2.419  -3.166   7.044
  632    HA   ILE  89           HA       ILE  89   5.024  -1.770   7.402
  633    HB   ILE  89           HB       ILE  89   3.735  -3.730   9.330
  634   1HG1  ILE  89          2HG1      ILE  89   2.973  -1.400   9.603
  635   2HG1  ILE  89          1HG1      ILE  89   3.950  -1.911  10.970
  636   1HG2  ILE  89          1HG2      ILE  89   5.885  -3.322  10.649
  637   2HG2  ILE  89          2HG2      ILE  89   6.558  -2.666   9.159
  638   3HG2  ILE  89          3HG2      ILE  89   6.031  -4.346   9.228
  639   1HD1  ILE  89          1HD1      ILE  89   5.038   0.057  10.624
  640   2HD1  ILE  89          2HD1      ILE  89   4.475   0.190   8.964
  641   3HD1  ILE  89          3HD1      ILE  89   5.874  -0.808   9.333
  642    H    MET  90           H        MET  90   6.496  -2.848   6.113
  643    HA   MET  90           HA       MET  90   5.808  -5.474   5.019
  644   1HB   MET  90          2HB       MET  90   7.285  -3.419   4.050
  645   2HB   MET  90          1HB       MET  90   8.590  -4.377   4.739
  646   1HG   MET  90          2HG       MET  90   6.721  -5.057   2.484
  647   2HG   MET  90          1HG       MET  90   8.459  -5.239   2.569
  648   1HE   MET  90          1HE       MET  90   5.928  -7.685   1.820
  649   2HE   MET  90          2HE       MET  90   5.111  -6.581   2.922
  650   3HE   MET  90          3HE       MET  90   5.304  -8.263   3.354
  651    H    THR  91           H        THR  91   6.788  -7.437   5.579
  652    HA   THR  91           HA       THR  91   8.729  -7.431   7.855
  653    HB   THR  91           HB       THR  91   7.506  -8.980   9.074
  654    HG1  THR  91           1HG      THR  91   5.720 -10.029   7.494
  655   1HG2  THR  91          1HG2      THR  91   6.090  -6.894   8.582
  656   2HG2  THR  91          2HG2      THR  91   5.238  -8.318   9.184
  657   3HG2  THR  91          3HG2      THR  91   5.190  -7.919   7.461
  658    HA   PRO  92           HA       PRO  92  11.059 -10.003   5.123
  659   1HB   PRO  92          2HB       PRO  92  12.302 -11.698   6.926
  660   2HB   PRO  92          1HB       PRO  92  12.823 -10.033   6.619
  661   1HG   PRO  92          2HG       PRO  92  11.137 -11.109   8.839
  662   2HG   PRO  92          1HG       PRO  92  12.429  -9.894   8.892
  663   1HD   PRO  92          2HD       PRO  92   9.823  -9.182   8.929
  664   2HD   PRO  92          1HD       PRO  92  11.041  -8.191   8.103
  665    H    GLU  93           H        GLU  93   9.126 -11.604   7.618
  666    HA   GLU  93           HA       GLU  93   9.108 -14.187   6.346
  667   1HB   GLU  93          2HB       GLU  93   7.120 -14.600   7.820
  668   2HB   GLU  93          1HB       GLU  93   8.527 -13.999   8.692
  669   1HG   GLU  93          2HG       GLU  93   7.611 -11.743   8.700
  670   2HG   GLU  93          1HG       GLU  93   6.244 -12.263   7.712
  671    H    LEU  94           H        LEU  94   7.274 -11.259   5.854
  672    HA   LEU  94           HA       LEU  94   5.415 -12.710   4.024
  673   1HB   LEU  94          2HB       LEU  94   5.191 -10.254   5.677
  674   2HB   LEU  94          1HB       LEU  94   4.409 -10.141   4.127
  675    HG   LEU  94           HG       LEU  94   3.955 -12.495   5.961
  676   1HD1  LEU  94          1HD1      LEU  94   2.155 -10.074   5.726
  677   2HD1  LEU  94          2HD1      LEU  94   3.328 -10.259   7.035
  678   3HD1  LEU  94          3HD1      LEU  94   2.014 -11.419   6.859
  679   1HD2  LEU  94          1HD2      LEU  94   2.248 -13.073   4.510
  680   2HD2  LEU  94          2HD2      LEU  94   3.345 -12.327   3.358
  681   3HD2  LEU  94          3HD2      LEU  94   1.976 -11.422   3.980
  682    H    ASP  95           H        ASP  95   8.234 -12.028   3.352
  683    HA   ASP  95           HA       ASP  95   8.284  -9.776   1.597
  684   1HB   ASP  95          2HB       ASP  95  10.267 -10.895   0.573
  685   2HB   ASP  95          1HB       ASP  95  10.350 -10.849   2.333
  686    H    GLY  96           H        GLY  96   7.946  -9.618  -0.660
  687   1HA   GLY  96          2HA       GLY  96   7.493 -10.597  -2.840
  688   2HA   GLY  96          1HA       GLY  96   6.750 -11.978  -2.034
  689    H    ILE  97           H        ILE  97   5.893  -9.021  -0.600
  690    HA   ILE  97           HA       ILE  97   3.124  -9.382  -1.231
  691    HB   ILE  97           HB       ILE  97   3.862  -8.203   0.792
  692   1HG1  ILE  97          2HG1      ILE  97   2.295  -6.326  -0.989
  693   2HG1  ILE  97          1HG1      ILE  97   1.609  -7.794  -0.303
  694   1HG2  ILE  97          1HG2      ILE  97   5.761  -7.010  -0.386
  695   2HG2  ILE  97          2HG2      ILE  97   4.809  -5.991   0.686
  696   3HG2  ILE  97          3HG2      ILE  97   4.564  -5.898  -1.047
  697   1HD1  ILE  97          1HD1      ILE  97   1.068  -5.946   1.163
  698   2HD1  ILE  97          2HD1      ILE  97   2.757  -5.444   1.213
  699   3HD1  ILE  97          3HD1      ILE  97   2.264  -6.963   1.968
  700    H    VAL  98           H        VAL  98   1.905  -8.738  -2.915
  701    HA   VAL  98           HA       VAL  98   3.147  -6.916  -4.949
  702    HB   VAL  98           HB       VAL  98   0.672  -8.610  -5.312
  703   1HG1  VAL  98          1HG1      VAL  98   1.414  -8.507  -7.689
  704   2HG1  VAL  98          2HG1      VAL  98   2.747  -7.461  -7.198
  705   3HG1  VAL  98          3HG1      VAL  98   1.081  -6.914  -7.016
  706   1HG2  VAL  98          1HG2      VAL  98   2.253 -10.292  -6.360
  707   2HG2  VAL  98          2HG2      VAL  98   2.373 -10.167  -4.603
  708   3HG2  VAL  98          3HG2      VAL  98   3.583  -9.393  -5.628
  709    H    VAL  99           H        VAL  99   2.305  -4.831  -5.102
  710    HA   VAL  99           HA       VAL  99  -0.307  -4.271  -3.772
  711    HB   VAL  99           HB       VAL  99   1.761  -2.221  -4.552
  712   1HG1  VAL  99          1HG1      VAL  99  -0.211  -2.463  -2.247
  713   2HG1  VAL  99          2HG1      VAL  99  -0.427  -1.471  -3.692
  714   3HG1  VAL  99          3HG1      VAL  99   0.852  -1.086  -2.539
  715   1HG2  VAL  99          1HG2      VAL  99   2.663  -2.570  -2.165
  716   2HG2  VAL  99          2HG2      VAL  99   3.150  -3.741  -3.390
  717   3HG2  VAL  99          3HG2      VAL  99   1.886  -4.150  -2.227
  718    H    ASP 100           H        ASP 100  -1.908  -3.435  -4.997
  719    HA   ASP 100           HA       ASP 100  -1.336  -2.820  -7.866
  720   1HB   ASP 100          2HB       ASP 100  -3.525  -4.195  -6.450
  721   2HB   ASP 100          1HB       ASP 100  -4.074  -3.077  -7.702
  722    H    VAL 101           H        VAL 101  -1.365  -0.755  -8.412
  723    HA   VAL 101           HA       VAL 101  -2.761   1.219  -6.659
  724    HB   VAL 101           HB       VAL 101  -0.583   1.713  -8.698
  725   1HG1  VAL 101          1HG1      VAL 101  -1.774   3.402  -6.480
  726   2HG1  VAL 101          2HG1      VAL 101  -1.938   3.686  -8.211
  727   3HG1  VAL 101          3HG1      VAL 101  -0.363   3.855  -7.435
  728   1HG2  VAL 101          1HG2      VAL 101   0.309   0.302  -6.933
  729   2HG2  VAL 101          2HG2      VAL 101  -0.463   1.293  -5.693
  730   3HG2  VAL 101          3HG2      VAL 101   0.867   1.950  -6.649
  731    HA   PRO 102           HA       PRO 102  -5.393   1.617 -10.367
  732   1HB   PRO 102          2HB       PRO 102  -7.364   3.119  -9.324
  733   2HB   PRO 102          1HB       PRO 102  -7.125   1.447  -8.797
  734   1HG   PRO 102          2HG       PRO 102  -6.268   3.953  -7.455
  735   2HG   PRO 102          1HG       PRO 102  -7.038   2.503  -6.774
  736   1HD   PRO 102          2HD       PRO 102  -4.317   2.977  -6.664
  737   2HD   PRO 102          1HD       PRO 102  -5.050   1.354  -6.610
  738    H    ASP 103           H        ASP 103  -6.544   3.551 -11.468
  739    HA   ASP 103           HA       ASP 103  -4.573   5.711 -11.831
  740   1HB   ASP 103          2HB       ASP 103  -6.086   6.449 -13.651
  741   2HB   ASP 103          1HB       ASP 103  -5.690   4.739 -13.811
  742    H    ARG 104           H        ARG 104  -7.475   5.111 -10.071
  743    HA   ARG 104           HA       ARG 104  -7.914   8.021  -9.538
  744   1HB   ARG 104          2HB       ARG 104  -9.637   5.546  -9.371
  745   2HB   ARG 104          1HB       ARG 104 -10.058   6.981  -8.438
  746   1HG   ARG 104          2HG       ARG 104  -9.503   7.151 -11.408
  747   2HG   ARG 104          1HG       ARG 104 -11.095   6.695 -10.812
  748   1HD   ARG 104          2HD       ARG 104 -11.388   8.985 -10.953
  749   2HD   ARG 104          1HD       ARG 104 -10.761   8.908  -9.315
  750    HE   ARG 104           HE       ARG 104  -8.526   9.141 -11.007
  751   1HH1  ARG 104          1HH2      ARG 104 -11.378  10.875 -10.121
  752   2HH1  ARG 104          2HH2      ARG 104 -10.707  12.430 -10.498
  753   1HH2  ARG 104          1HH1      ARG 104  -7.637  11.162 -11.518
  754   2HH2  ARG 104          2HH1      ARG 104  -8.590  12.590 -11.292
  755    H    GLN 105           H        GLN 105  -6.003   7.984  -8.046
  756    HA   GLN 105           HA       GLN 105  -6.191   6.200  -5.709
  757   1HB   GLN 105          2HB       GLN 105  -4.316   8.555  -6.098
  758   2HB   GLN 105          1HB       GLN 105  -4.102   7.176  -5.022
  759   1HG   GLN 105          2HG       GLN 105  -2.723   6.679  -6.881
  760   2HG   GLN 105          1HG       GLN 105  -4.181   5.726  -7.158
  761   1HE2  GLN 105          1HE2      GLN 105  -3.179   5.994  -9.512
  762   2HE2  GLN 105          2HE2      GLN 105  -3.745   7.326 -10.393
  763    H    TRP 106           H        TRP 106  -6.903   9.512  -6.593
  764    HA   TRP 106           HA       TRP 106  -7.885  11.267  -5.375
  765   1HB   TRP 106          2HB       TRP 106  -9.761   9.757  -5.599
  766   2HB   TRP 106          1HB       TRP 106  -9.200   8.793  -4.233
  767    HD1  TRP 106           HD       TRP 106 -10.328   9.312  -2.080
  768    HE1  TRP 106           1HE      TRP 106 -11.626  11.340  -1.079
  769    HE3  TRP 106           3HE      TRP 106  -9.681  12.710  -5.809
  770    HZ2  TRP 106           2HZ      TRP 106 -12.222  14.023  -1.750
  771    HZ3  TRP 106           3HZ      TRP 106 -10.613  14.998  -5.611
  772    HH2  TRP 106           HH       TRP 106 -11.883  15.658  -3.581
  Start of MODEL    9
    1   1H    SER   1          1HT       SER   1  12.121  -6.578   3.246
    2   2H    SER   1          2HT       SER   1  12.554  -6.202   1.645
    3   3H    SER   1          3HT       SER   1  13.085  -7.652   2.360
    4    HA   SER   1           HA       SER   1  11.197  -8.727   1.905
    5   1HB   SER   1          2HB       SER   1   8.960  -7.521   2.160
    6   2HB   SER   1          1HB       SER   1   9.935  -7.630   3.620
    7    HG   SER   1           HG       SER   1  10.700  -5.523   3.151
    8    H    LYS   2           H        LYS   2  10.311  -9.165  -0.122
    9    HA   LYS   2           HA       LYS   2  11.032  -7.322  -2.264
   10   1HB   LYS   2          2HB       LYS   2   9.916 -10.076  -2.009
   11   2HB   LYS   2          1HB       LYS   2   9.466  -9.210  -3.470
   12   1HG   LYS   2          2HG       LYS   2  12.342  -9.354  -2.559
   13   2HG   LYS   2          1HG       LYS   2  11.629 -10.647  -3.518
   14   1HD   LYS   2          2HD       LYS   2  10.918  -8.749  -5.159
   15   2HD   LYS   2          1HD       LYS   2  12.099  -7.766  -4.295
   16   1HE   LYS   2          2HE       LYS   2  13.865  -9.380  -4.808
   17   2HE   LYS   2          1HE       LYS   2  12.698 -10.438  -5.593
   18   1HZ   LYS   2          1HZ       LYS   2  12.878  -9.272  -7.450
   19   2HZ   LYS   2          2HZ       LYS   2  14.124  -8.363  -6.740
   20   3HZ   LYS   2          3HZ       LYS   2  12.516  -7.823  -6.652
   21    H    VAL   3           H        VAL   3   9.787  -5.511  -2.453
   22    HA   VAL   3           HA       VAL   3   6.821  -5.776  -2.111
   23    HB   VAL   3           HB       VAL   3   8.754  -3.480  -1.845
   24   1HG1  VAL   3          1HG1      VAL   3   5.741  -3.243  -1.697
   25   2HG1  VAL   3          2HG1      VAL   3   6.712  -2.681  -3.058
   26   3HG1  VAL   3          3HG1      VAL   3   6.925  -1.957  -1.478
   27   1HG2  VAL   3          1HG2      VAL   3   8.564  -4.793   0.126
   28   2HG2  VAL   3          2HG2      VAL   3   6.810  -4.879  -0.011
   29   3HG2  VAL   3          3HG2      VAL   3   7.579  -3.357   0.399
   30    H    VAL   4           H        VAL   4   5.897  -6.147  -4.043
   31    HA   VAL   4           HA       VAL   4   6.940  -4.731  -6.440
   32    HB   VAL   4           HB       VAL   4   4.925  -6.948  -6.284
   33   1HG1  VAL   4          1HG1      VAL   4   5.625  -7.220  -8.690
   34   2HG1  VAL   4          2HG1      VAL   4   6.514  -5.707  -8.527
   35   3HG1  VAL   4          3HG1      VAL   4   4.762  -5.721  -8.345
   36   1HG2  VAL   4          1HG2      VAL   4   7.928  -6.972  -6.542
   37   2HG2  VAL   4          2HG2      VAL   4   6.940  -8.305  -7.143
   38   3HG2  VAL   4          3HG2      VAL   4   6.920  -7.894  -5.426
   39    H    TYR   5           H        TYR   5   5.847  -3.068  -7.209
   40    HA   TYR   5           HA       TYR   5   3.062  -2.513  -6.277
   41   1HB   TYR   5          2HB       TYR   5   4.922  -0.591  -7.693
   42   2HB   TYR   5          1HB       TYR   5   3.348  -0.216  -7.014
   43    HD1  TYR   5           1HD      TYR   5   6.840  -1.131  -6.207
   44    HD2  TYR   5           2HD      TYR   5   3.051   0.157  -4.647
   45    HE1  TYR   5           1HE      TYR   5   7.899  -0.561  -4.074
   46    HE2  TYR   5           2HE      TYR   5   4.139   0.711  -2.481
   47    HH   TYR   5           HH       TYR   5   6.059   0.786  -1.345
   48    H    VAL   6           H        VAL   6   1.550  -3.169  -7.712
   49    HA   VAL   6           HA       VAL   6   2.326  -3.455 -10.580
   50    HB   VAL   6           HB       VAL   6  -0.072  -4.457  -9.016
   51   1HG1  VAL   6          1HG1      VAL   6   0.685  -4.660 -11.929
   52   2HG1  VAL   6          2HG1      VAL   6  -0.832  -4.084 -11.243
   53   3HG1  VAL   6          3HG1      VAL   6  -0.424  -5.798 -11.166
   54   1HG2  VAL   6          1HG2      VAL   6   2.429  -5.756 -10.123
   55   2HG2  VAL   6          2HG2      VAL   6   1.016  -6.683  -9.617
   56   3HG2  VAL   6          3HG2      VAL   6   1.896  -5.709  -8.437
   57    H    SER   7           H        SER   7   1.924  -1.722 -11.757
   58    HA   SER   7           HA       SER   7   0.086   0.364 -10.943
   59   1HB   SER   7          2HB       SER   7   0.685   1.356 -13.177
   60   2HB   SER   7          1HB       SER   7   2.076   0.994 -12.168
   61    HG   SER   7           HG       SER   7   1.239  -0.146 -14.537
   62    H    HIS   8           H        HIS   8  -1.095   1.080 -13.356
   63    HA   HIS   8           HA       HIS   8  -3.311  -0.826 -13.425
   64   1HB   HIS   8          2HB       HIS   8  -4.035   0.969 -15.305
   65   2HB   HIS   8          1HB       HIS   8  -4.221   1.295 -13.590
   66    HD1  HIS   8           1HD      HIS   8  -1.688   2.231 -12.574
   67    HD2  HIS   8           2HD      HIS   8  -2.821   3.148 -16.484
   68    HE1  HIS   8           1HE      HIS   8  -0.368   4.296 -13.244
   69    HE2  HIS   8           2HE      HIS   8  -1.041   4.852 -15.621
   70    H    ASP   9           H        ASP   9  -0.894   0.444 -15.732
   71    HA   ASP   9           HA       ASP   9  -1.799  -1.264 -17.866
   72   1HB   ASP   9          2HB       ASP   9   0.331  -0.547 -18.973
   73   2HB   ASP   9          1HB       ASP   9  -0.646   0.801 -18.390
   74    H    GLY  10           H        GLY  10  -0.314  -2.202 -15.051
   75   1HA   GLY  10          2HA       GLY  10   0.374  -4.473 -14.669
   76   2HA   GLY  10          1HA       GLY  10   0.773  -4.628 -16.378
   77    H    THR  11           H        THR  11   2.093  -1.722 -15.567
   78    HA   THR  11           HA       THR  11   4.774  -2.708 -15.612
   79    HB   THR  11           HB       THR  11   3.481  -0.176 -15.710
   80    HG1  THR  11           1HG      THR  11   5.100   0.089 -16.981
   81   1HG2  THR  11          1HG2      THR  11   5.024   1.236 -14.388
   82   2HG2  THR  11          2HG2      THR  11   5.726  -0.211 -13.663
   83   3HG2  THR  11          3HG2      THR  11   4.040   0.210 -13.348
   84    H    ARG  12           H        ARG  12   5.946  -3.559 -14.000
   85    HA   ARG  12           HA       ARG  12   4.891  -3.360 -11.209
   86   1HB   ARG  12          2HB       ARG  12   6.972  -5.333 -12.142
   87   2HB   ARG  12          1HB       ARG  12   5.914  -5.418 -10.738
   88   1HG   ARG  12          2HG       ARG  12   4.013  -5.308 -12.645
   89   2HG   ARG  12          1HG       ARG  12   5.305  -6.006 -13.613
   90   1HD   ARG  12          2HD       ARG  12   5.268  -7.495 -11.180
   91   2HD   ARG  12          1HD       ARG  12   3.596  -7.320 -11.673
   92    HE   ARG  12           HE       ARG  12   4.145  -8.418 -13.778
   93   1HH1  ARG  12          1HH2      ARG  12   6.694  -8.379 -11.411
   94   2HH1  ARG  12          2HH2      ARG  12   7.585  -9.637 -12.190
   95   1HH2  ARG  12          1HH1      ARG  12   5.331 -10.041 -14.764
   96   2HH2  ARG  12          2HH1      ARG  12   6.827 -10.571 -14.065
   97    H    ARG  13           H        ARG  13   6.473  -3.280  -9.463
   98    HA   ARG  13           HA       ARG  13   9.159  -2.210 -10.112
   99   1HB   ARG  13          2HB       ARG  13   7.078  -0.737  -8.479
  100   2HB   ARG  13          1HB       ARG  13   8.805  -0.396  -8.365
  101   1HG   ARG  13          2HG       ARG  13   8.872   0.066 -10.771
  102   2HG   ARG  13          1HG       ARG  13   7.152  -0.279 -10.894
  103   1HD   ARG  13          2HD       ARG  13   7.167   1.621  -8.903
  104   2HD   ARG  13          1HD       ARG  13   8.507   2.162  -9.901
  105    HE   ARG  13           HE       ARG  13   6.977   2.367 -11.781
  106   1HH1  ARG  13          1HH2      ARG  13   5.463   1.696  -8.710
  107   2HH1  ARG  13          2HH2      ARG  13   3.881   2.065  -9.299
  108   1HH2  ARG  13          1HH1      ARG  13   4.923   2.817 -12.504
  109   2HH2  ARG  13          2HH1      ARG  13   3.573   2.691 -11.423
  110    H    GLU  14           H        GLU  14  10.296  -3.759  -9.007
  111    HA   GLU  14           HA       GLU  14   9.235  -4.745  -6.402
  112   1HB   GLU  14          2HB       GLU  14  11.689  -5.799  -7.810
  113   2HB   GLU  14          1HB       GLU  14  10.580  -6.641  -6.727
  114   1HG   GLU  14          2HG       GLU  14   8.787  -6.155  -8.563
  115   2HG   GLU  14          1HG       GLU  14  10.170  -5.864  -9.615
  116    H    LEU  15           H        LEU  15  10.113  -4.022  -4.527
  117    HA   LEU  15           HA       LEU  15  12.806  -2.671  -4.583
  118   1HB   LEU  15          2HB       LEU  15  10.556  -2.205  -2.599
  119   2HB   LEU  15          1HB       LEU  15  12.055  -1.305  -2.716
  120    HG   LEU  15           HG       LEU  15   9.812  -1.394  -4.653
  121   1HD1  LEU  15          1HD1      LEU  15  11.092   0.900  -3.129
  122   2HD1  LEU  15          2HD1      LEU  15   9.619   0.073  -2.627
  123   3HD1  LEU  15          3HD1      LEU  15   9.643   0.997  -4.123
  124   1HD2  LEU  15          1HD2      LEU  15  11.643  -1.267  -6.117
  125   2HD2  LEU  15          2HD2      LEU  15  12.628  -0.386  -4.953
  126   3HD2  LEU  15          3HD2      LEU  15  11.321   0.439  -5.806
  127    H    ASP  16           H        ASP  16  13.162  -2.408  -1.971
  128    HA   ASP  16           HA       ASP  16  12.966  -5.050  -0.660
  129   1HB   ASP  16          2HB       ASP  16  15.289  -4.658  -1.788
  130   2HB   ASP  16          1HB       ASP  16  15.524  -3.417  -0.555
  131    H    VAL  17           H        VAL  17  11.501  -4.257   0.833
  132    HA   VAL  17           HA       VAL  17  12.100  -1.676   2.244
  133    HB   VAL  17           HB       VAL  17   9.553  -3.342   2.298
  134   1HG1  VAL  17          1HG1      VAL  17   9.241  -1.817   3.973
  135   2HG1  VAL  17          2HG1      VAL  17   8.713  -0.826   2.621
  136   3HG1  VAL  17          3HG1      VAL  17  10.340  -0.627   3.275
  137   1HG2  VAL  17          1HG2      VAL  17   8.858  -1.490   0.578
  138   2HG2  VAL  17          2HG2      VAL  17   9.836  -2.844   0.020
  139   3HG2  VAL  17          3HG2      VAL  17  10.591  -1.297   0.330
  140    H    ALA  18           H        ALA  18  13.116  -1.885   4.156
  141    HA   ALA  18           HA       ALA  18  13.520  -4.425   5.427
  142   1HB   ALA  18          1HB       ALA  18  14.646  -3.155   7.171
  143   2HB   ALA  18          2HB       ALA  18  13.906  -1.659   6.597
  144   3HB   ALA  18          3HB       ALA  18  15.092  -2.494   5.599
  145    H    ASP  19           H        ASP  19  13.049  -4.581   7.887
  146    HA   ASP  19           HA       ASP  19  10.208  -4.718   8.213
  147   1HB   ASP  19          2HB       ASP  19  10.889  -5.317  10.609
  148   2HB   ASP  19          1HB       ASP  19  11.492  -6.365   9.329
  149    H    GLY  20           H        GLY  20   8.862  -3.490   9.368
  150   1HA   GLY  20          2HA       GLY  20   8.165  -1.738  10.857
  151   2HA   GLY  20          1HA       GLY  20   9.841  -1.226  10.999
  152    H    VAL  21           H        VAL  21   9.852  -1.371   7.846
  153    HA   VAL  21           HA       VAL  21   9.190   1.461   7.545
  154    HB   VAL  21           HB       VAL  21  10.077  -0.561   5.508
  155   1HG1  VAL  21          1HG1      VAL  21  10.069   2.444   5.472
  156   2HG1  VAL  21          2HG1      VAL  21   9.104   1.370   4.450
  157   3HG1  VAL  21          3HG1      VAL  21  10.854   1.435   4.255
  158   1HG2  VAL  21          1HG2      VAL  21  11.628  -0.161   7.506
  159   2HG2  VAL  21          2HG2      VAL  21  11.862   1.451   6.830
  160   3HG2  VAL  21          3HG2      VAL  21  12.314   0.022   5.892
  161    H    SER  22           H        SER  22   7.413   2.267   6.420
  162    HA   SER  22           HA       SER  22   5.285   0.299   5.766
  163   1HB   SER  22          2HB       SER  22   3.840   2.298   5.564
  164   2HB   SER  22          1HB       SER  22   4.681   2.285   7.112
  165    HG   SER  22           HG       SER  22   4.669   4.236   5.474
  166    H    LEU  23           H        LEU  23   4.405   0.105   3.681
  167    HA   LEU  23           HA       LEU  23   6.074   0.223   1.455
  168   1HB   LEU  23          2HB       LEU  23   3.079   0.705   1.468
  169   2HB   LEU  23          1HB       LEU  23   4.032   0.181   0.074
  170    HG   LEU  23           HG       LEU  23   3.700  -1.359   2.665
  171   1HD1  LEU  23          1HD1      LEU  23   1.667  -1.501   1.417
  172   2HD1  LEU  23          2HD1      LEU  23   2.547  -2.991   1.081
  173   3HD1  LEU  23          3HD1      LEU  23   2.536  -1.686  -0.093
  174   1HD2  LEU  23          1HD2      LEU  23   5.390  -1.782   0.213
  175   2HD2  LEU  23          2HD2      LEU  23   4.772  -3.183   1.092
  176   3HD2  LEU  23          3HD2      LEU  23   5.815  -2.024   1.911
  177    H    MET  24           H        MET  24   3.955   2.764   2.698
  178    HA   MET  24           HA       MET  24   4.255   4.666   0.636
  179   1HB   MET  24          2HB       MET  24   2.673   5.100   2.376
  180   2HB   MET  24          1HB       MET  24   3.905   4.922   3.618
  181   1HG   MET  24          2HG       MET  24   3.207   7.321   3.077
  182   2HG   MET  24          1HG       MET  24   4.938   6.996   3.035
  183   1HE   MET  24          1HE       MET  24   2.048   8.516   1.417
  184   2HE   MET  24          2HE       MET  24   1.689   6.896   0.829
  185   3HE   MET  24          3HE       MET  24   2.115   8.166  -0.306
  186    H    GLN  25           H        GLN  25   6.315   4.018   3.476
  187    HA   GLN  25           HA       GLN  25   8.171   6.136   2.993
  188   1HB   GLN  25          2HB       GLN  25   8.264   3.545   4.515
  189   2HB   GLN  25          1HB       GLN  25   9.766   4.434   4.266
  190   1HG   GLN  25          2HG       GLN  25   8.901   6.368   5.392
  191   2HG   GLN  25          1HG       GLN  25   7.264   5.709   5.404
  192   1HE2  GLN  25          1HE2      GLN  25  10.347   5.682   7.049
  193   2HE2  GLN  25          2HE2      GLN  25   9.895   4.620   8.300
  194    H    ALA  26           H        ALA  26   8.546   2.604   2.166
  195    HA   ALA  26           HA       ALA  26  10.909   2.857   0.702
  196   1HB   ALA  26          1HB       ALA  26  10.203   0.840  -0.492
  197   2HB   ALA  26          2HB       ALA  26   8.546   1.083   0.060
  198   3HB   ALA  26          3HB       ALA  26   9.818   0.713   1.224
  199    H    ALA  27           H        ALA  27   7.624   3.720  -0.410
  200    HA   ALA  27           HA       ALA  27   8.246   3.880  -3.177
  201   1HB   ALA  27          1HB       ALA  27   5.952   4.067  -2.612
  202   2HB   ALA  27          2HB       ALA  27   6.397   5.685  -3.152
  203   3HB   ALA  27          3HB       ALA  27   6.268   5.337  -1.421
  204    H    VAL  28           H        VAL  28   9.143   5.900  -0.506
  205    HA   VAL  28           HA       VAL  28   9.870   8.190  -2.213
  206    HB   VAL  28           HB       VAL  28  10.435   7.684   0.720
  207   1HG1  VAL  28          1HG1      VAL  28  11.944   9.349  -0.091
  208   2HG1  VAL  28          2HG1      VAL  28  10.630  10.229   0.681
  209   3HG1  VAL  28          3HG1      VAL  28  10.689  10.108  -1.065
  210   1HG2  VAL  28          1HG2      VAL  28   8.026   7.746   0.260
  211   2HG2  VAL  28          2HG2      VAL  28   8.223   9.233  -0.663
  212   3HG2  VAL  28          3HG2      VAL  28   8.516   9.233   1.070
  213    H    SER  29           H        SER  29  11.350   5.312  -1.005
  214    HA   SER  29           HA       SER  29  14.093   6.283  -1.160
  215   1HB   SER  29          2HB       SER  29  14.388   4.375   0.037
  216   2HB   SER  29          1HB       SER  29  12.713   3.945  -0.257
  217    HG   SER  29           HG       SER  29  14.879   2.785  -1.198
  218    H    ASN  30           H        ASN  30  11.811   4.705  -3.303
  219    HA   ASN  30           HA       ASN  30  13.890   4.584  -5.456
  220   1HB   ASN  30          2HB       ASN  30  11.265   3.137  -5.042
  221   2HB   ASN  30          1HB       ASN  30  12.131   3.133  -6.574
  222   1HD2  ASN  30          1HD2      ASN  30  12.692   2.463  -3.089
  223   2HD2  ASN  30          2HD2      ASN  30  13.815   1.215  -3.353
  224    H    GLY  31           H        GLY  31  11.482   6.490  -4.219
  225   1HA   GLY  31          2HA       GLY  31  10.332   8.332  -5.131
  226   2HA   GLY  31          1HA       GLY  31  11.394   8.195  -6.529
  227    H    ILE  32           H        ILE  32   8.539   6.673  -5.059
  228    HA   ILE  32           HA       ILE  32   7.527   6.010  -7.806
  229    HB   ILE  32           HB       ILE  32   7.074   4.622  -5.148
  230   1HG1  ILE  32          2HG1      ILE  32   8.486   3.751  -7.687
  231   2HG1  ILE  32          1HG1      ILE  32   9.284   4.251  -6.195
  232   1HG2  ILE  32          1HG2      ILE  32   5.047   4.554  -6.597
  233   2HG2  ILE  32          2HG2      ILE  32   5.783   2.963  -6.414
  234   3HG2  ILE  32          3HG2      ILE  32   6.031   3.884  -7.903
  235   1HD1  ILE  32          1HD1      ILE  32   8.066   2.403  -5.011
  236   2HD1  ILE  32          2HD1      ILE  32   9.211   1.835  -6.231
  237   3HD1  ILE  32          3HD1      ILE  32   7.481   1.848  -6.580
  238    H    TYR  33           H        TYR  33   6.539   6.978  -4.527
  239    HA   TYR  33           HA       TYR  33   4.006   8.065  -5.657
  240   1HB   TYR  33          2HB       TYR  33   5.059   7.563  -2.870
  241   2HB   TYR  33          1HB       TYR  33   3.818   8.791  -3.102
  242    HD1  TYR  33           1HD      TYR  33   1.650   8.013  -2.683
  243    HD2  TYR  33           2HD      TYR  33   4.510   5.371  -4.496
  244    HE1  TYR  33           1HE      TYR  33  -0.078   6.243  -2.836
  245    HE2  TYR  33           2HE      TYR  33   2.783   3.599  -4.644
  246    HH   TYR  33           HH       TYR  33   0.717   2.996  -4.037
  247    H    ASP  34           H        ASP  34   3.904  10.327  -6.101
  248    HA   ASP  34           HA       ASP  34   6.335  11.903  -5.414
  249   1HB   ASP  34          2HB       ASP  34   5.392  13.473  -7.171
  250   2HB   ASP  34          1HB       ASP  34   5.920  11.911  -7.796
  251    H    ILE  35           H        ILE  35   5.117  11.803  -3.189
  252    HA   ILE  35           HA       ILE  35   3.848  14.359  -2.787
  253    HB   ILE  35           HB       ILE  35   1.973  12.986  -3.827
  254   1HG1  ILE  35          2HG1      ILE  35   1.436  13.824  -0.963
  255   2HG1  ILE  35          1HG1      ILE  35   1.654  14.976  -2.279
  256   1HG2  ILE  35          1HG2      ILE  35   0.979  11.208  -2.590
  257   2HG2  ILE  35          2HG2      ILE  35   1.940  11.569  -1.160
  258   3HG2  ILE  35          3HG2      ILE  35   2.711  10.878  -2.581
  259   1HD1  ILE  35          1HD1      ILE  35  -0.372  12.739  -2.432
  260   2HD1  ILE  35          2HD1      ILE  35  -0.277  14.191  -3.422
  261   3HD1  ILE  35          3HD1      ILE  35  -0.760  14.311  -1.729
  262    H    VAL  36           H        VAL  36   3.138  14.579  -0.442
  263    HA   VAL  36           HA       VAL  36   4.951  12.954   1.284
  264    HB   VAL  36           HB       VAL  36   5.138  15.466   1.251
  265   1HG1  VAL  36          1HG1      VAL  36   3.396  16.829   2.144
  266   2HG1  VAL  36          2HG1      VAL  36   2.496  15.427   2.721
  267   3HG1  VAL  36          3HG1      VAL  36   2.609  15.746   0.996
  268   1HG2  VAL  36          1HG2      VAL  36   5.630  13.899   3.289
  269   2HG2  VAL  36          2HG2      VAL  36   4.168  14.607   3.978
  270   3HG2  VAL  36          3HG2      VAL  36   5.534  15.638   3.563
  271    H    GLY  37           H        GLY  37   1.896  12.653   0.286
  272   1HA   GLY  37          2HA       GLY  37   0.084  11.447   1.186
  273   2HA   GLY  37          1HA       GLY  37   1.076  11.137   2.616
  274    H    ASP  38           H        ASP  38  -1.683  12.692   1.608
  275    HA   ASP  38           HA       ASP  38  -1.718  15.200   2.834
  276   1HB   ASP  38          2HB       ASP  38  -3.621  14.030   1.584
  277   2HB   ASP  38          1HB       ASP  38  -4.002  13.239   3.111
  278    H    CYS  39           H        CYS  39  -2.758  12.161   4.447
  279    HA   CYS  39           HA       CYS  39  -2.653  13.394   7.069
  280   1HB   CYS  39          2HB       CYS  39  -3.222  11.240   7.932
  281   2HB   CYS  39          1HB       CYS  39  -4.059  11.355   6.386
  282    H    GLY  40           H        GLY  40  -0.179  13.200   5.204
  283   1HA   GLY  40          2HA       GLY  40   2.128  12.872   5.492
  284   2HA   GLY  40          1HA       GLY  40   1.805  13.013   7.221
  285    H    GLY  41           H        GLY  41  -0.089  10.645   5.795
  286   1HA   GLY  41          2HA       GLY  41   0.205   8.299   5.524
  287   2HA   GLY  41          1HA       GLY  41   1.854   8.444   6.137
  288    H    SER  42           H        SER  42  -0.741  10.007   7.835
  289    HA   SER  42           HA       SER  42  -0.331   8.146  10.121
  290   1HB   SER  42          2HB       SER  42  -1.067   9.889  11.514
  291   2HB   SER  42          1HB       SER  42  -0.184  10.746  10.256
  292    HG   SER  42           HG       SER  42  -2.906  10.631  10.796
  293    H    ALA  43           H        ALA  43  -1.882   7.170   7.937
  294    HA   ALA  43           HA       ALA  43  -4.027   6.346   7.402
  295   1HB   ALA  43          1HB       ALA  43  -4.374   6.085  10.391
  296   2HB   ALA  43          2HB       ALA  43  -3.176   5.117   9.532
  297   3HB   ALA  43          3HB       ALA  43  -4.885   4.975   9.120
  298    H    SER  44           H        SER  44  -4.746   8.621   6.795
  299    HA   SER  44           HA       SER  44  -7.240   9.220   8.142
  300   1HB   SER  44          2HB       SER  44  -6.659  10.971   9.492
  301   2HB   SER  44          1HB       SER  44  -5.004  10.402   9.306
  302    HG   SER  44           HG       SER  44  -6.334  12.528   8.087
  303    H    CYS  45           H        CYS  45  -6.041   8.735   5.410
  304    HA   CYS  45           HA       CYS  45  -7.642  10.742   4.040
  305   1HB   CYS  45          2HB       CYS  45  -5.985  11.933   2.890
  306   2HB   CYS  45          1HB       CYS  45  -5.296  11.791   4.497
  307    H    ALA  46           H        ALA  46  -7.651  10.347   1.658
  308    HA   ALA  46           HA       ALA  46  -7.379   7.433   1.110
  309   1HB   ALA  46          1HB       ALA  46  -8.819   9.700  -0.288
  310   2HB   ALA  46          2HB       ALA  46  -9.538   8.316   0.530
  311   3HB   ALA  46          3HB       ALA  46  -8.671   8.089  -0.981
  312    H    THR  47           H        THR  47  -5.357   9.920   1.007
  313    HA   THR  47           HA       THR  47  -4.449  10.212  -1.635
  314    HB   THR  47           HB       THR  47  -2.594  10.062   0.743
  315    HG1  THR  47           1HG      THR  47  -4.665  11.381   0.881
  316   1HG2  THR  47          1HG2      THR  47  -1.511  10.365  -1.414
  317   2HG2  THR  47          2HG2      THR  47  -1.449  11.882  -0.517
  318   3HG2  THR  47          3HG2      THR  47  -2.623  11.675  -1.819
  319    H    CYS  48           H        CYS  48  -3.415   7.749   0.776
  320    HA   CYS  48           HA       CYS  48  -1.902   6.372  -1.376
  321   1HB   CYS  48          2HB       CYS  48  -0.946   5.052   0.349
  322   2HB   CYS  48          1HB       CYS  48  -1.002   6.699   0.972
  323    H    HIS  49           H        HIS  49  -4.470   6.257  -2.103
  324    HA   HIS  49           HA       HIS  49  -5.907   3.941  -1.050
  325   1HB   HIS  49          2HB       HIS  49  -7.221   5.690  -2.077
  326   2HB   HIS  49          1HB       HIS  49  -6.198   5.693  -3.496
  327    HD1  HIS  49           1HD      HIS  49  -8.519   3.139  -1.760
  328    HD2  HIS  49           2HD      HIS  49  -7.293   4.344  -5.534
  329    HE1  HIS  49           1HE      HIS  49  -9.787   1.690  -3.449
  330    HE2  HIS  49           2HE      HIS  49  -8.992   2.399  -5.731
  331    H    VAL  50           H        VAL  50  -5.023   1.893  -1.418
  332    HA   VAL  50           HA       VAL  50  -4.355   1.208  -4.223
  333    HB   VAL  50           HB       VAL  50  -2.130   0.647  -3.933
  334   1HG1  VAL  50          1HG1      VAL  50  -2.513   2.712  -1.751
  335   2HG1  VAL  50          2HG1      VAL  50  -2.301   3.049  -3.466
  336   3HG1  VAL  50          3HG1      VAL  50  -0.987   2.328  -2.537
  337   1HG2  VAL  50          1HG2      VAL  50  -2.290  -1.022  -2.243
  338   2HG2  VAL  50          2HG2      VAL  50  -2.809   0.151  -1.027
  339   3HG2  VAL  50          3HG2      VAL  50  -1.146   0.169  -1.616
  340    H    TYR  51           H        TYR  51  -3.953  -1.180  -4.411
  341    HA   TYR  51           HA       TYR  51  -5.710  -2.675  -2.504
  342   1HB   TYR  51          2HB       TYR  51  -5.196  -3.074  -5.434
  343   2HB   TYR  51          1HB       TYR  51  -6.247  -4.069  -4.480
  344    HD1  TYR  51           1HD      TYR  51  -7.908  -2.342  -2.899
  345    HD2  TYR  51           2HD      TYR  51  -6.315  -1.596  -6.830
  346    HE1  TYR  51           1HE      TYR  51  -9.630  -0.621  -3.278
  347    HE2  TYR  51           2HE      TYR  51  -8.080   0.074  -7.202
  348    HH   TYR  51           HH       TYR  51 -10.709   0.549  -5.039
  349    H    VAL  52           H        VAL  52  -4.468  -3.840  -1.228
  350    HA   VAL  52           HA       VAL  52  -1.863  -4.923  -2.080
  351    HB   VAL  52           HB       VAL  52  -3.324  -5.289   0.548
  352   1HG1  VAL  52          1HG1      VAL  52  -1.788  -7.091   0.262
  353   2HG1  VAL  52          2HG1      VAL  52  -0.970  -5.925   1.297
  354   3HG1  VAL  52          3HG1      VAL  52  -0.563  -6.026  -0.412
  355   1HG2  VAL  52          1HG2      VAL  52  -1.706  -3.648   1.444
  356   2HG2  VAL  52          2HG2      VAL  52  -2.660  -2.927   0.144
  357   3HG2  VAL  52          3HG2      VAL  52  -1.008  -3.457  -0.162
  358    H    ASN  53           H        ASN  53  -1.559  -7.037  -2.753
  359    HA   ASN  53           HA       ASN  53  -3.673  -8.682  -3.547
  360   1HB   ASN  53          2HB       ASN  53  -1.665  -9.429  -4.397
  361   2HB   ASN  53          1HB       ASN  53  -0.791  -9.122  -2.902
  362   1HD2  ASN  53          1HD2      ASN  53   0.161 -11.239  -2.842
  363   2HD2  ASN  53          2HD2      ASN  53  -0.755 -12.635  -2.540
  364    H    GLU  54           H        GLU  54  -5.177  -9.813  -2.440
  365    HA   GLU  54           HA       GLU  54  -5.513  -9.676   0.341
  366   1HB   GLU  54          2HB       GLU  54  -7.132 -11.586   0.006
  367   2HB   GLU  54          1HB       GLU  54  -7.379 -10.211  -1.068
  368   1HG   GLU  54          2HG       GLU  54  -6.307 -11.332  -2.890
  369   2HG   GLU  54          1HG       GLU  54  -5.710 -12.614  -1.839
  370    H    ALA  55           H        ALA  55  -2.877 -11.101  -0.793
  371    HA   ALA  55           HA       ALA  55  -3.051 -13.557   0.892
  372   1HB   ALA  55          1HB       ALA  55  -0.618 -12.922  -0.743
  373   2HB   ALA  55          2HB       ALA  55  -2.093 -13.377  -1.594
  374   3HB   ALA  55          3HB       ALA  55  -1.383 -14.478  -0.419
  375    H    PHE  56           H        PHE  56  -1.664 -10.339   0.860
  376    HA   PHE  56           HA       PHE  56   0.156 -11.055   3.136
  377   1HB   PHE  56          2HB       PHE  56   0.118  -8.806   1.094
  378   2HB   PHE  56          1HB       PHE  56   1.186  -8.818   2.500
  379    HD1  PHE  56           1HD      PHE  56   0.282 -10.692  -0.596
  380    HD2  PHE  56           2HD      PHE  56   3.131 -10.159   2.544
  381    HE1  PHE  56           1HE      PHE  56   1.862 -12.204  -1.761
  382    HE2  PHE  56           2HE      PHE  56   4.713 -11.658   1.405
  383    HZ   PHE  56           HZ       PHE  56   4.081 -12.686  -0.772
  384    H    THR  57           H        THR  57  -2.783  -9.592   2.312
  385    HA   THR  57           HA       THR  57  -2.826  -7.420   4.217
  386    HB   THR  57           HB       THR  57  -5.380  -7.677   3.932
  387    HG1  THR  57           1HG      THR  57  -4.690  -9.982   3.058
  388   1HG2  THR  57          1HG2      THR  57  -5.326  -6.680   1.743
  389   2HG2  THR  57          2HG2      THR  57  -3.764  -7.411   1.393
  390   3HG2  THR  57          3HG2      THR  57  -3.893  -6.140   2.609
  391    H    ASP  58           H        ASP  58  -3.812 -10.819   4.351
  392    HA   ASP  58           HA       ASP  58  -4.920 -10.523   7.054
  393   1HB   ASP  58          2HB       ASP  58  -5.233 -13.004   6.891
  394   2HB   ASP  58          1HB       ASP  58  -5.971 -12.123   5.550
  395    H    LYS  59           H        LYS  59  -1.854 -10.627   5.920
  396    HA   LYS  59           HA       LYS  59  -0.813 -12.179   8.265
  397   1HB   LYS  59          2HB       LYS  59   0.893 -11.412   5.920
  398   2HB   LYS  59          1HB       LYS  59   0.970 -12.845   6.945
  399   1HG   LYS  59          2HG       LYS  59  -1.255 -13.545   5.931
  400   2HG   LYS  59          1HG       LYS  59  -1.045 -12.240   4.749
  401   1HD   LYS  59          2HD       LYS  59   0.832 -13.273   3.770
  402   2HD   LYS  59          1HD       LYS  59   1.154 -14.279   5.180
  403   1HE   LYS  59          2HE       LYS  59  -0.388 -15.879   4.557
  404   2HE   LYS  59          1HE       LYS  59  -1.479 -14.706   3.821
  405   1HZ   LYS  59          1HZ       LYS  59  -0.664 -15.568   1.933
  406   2HZ   LYS  59          2HZ       LYS  59   0.761 -16.138   2.667
  407   3HZ   LYS  59          3HZ       LYS  59   0.628 -14.505   2.214
  408    H    VAL  60           H        VAL  60  -0.521  -9.178   6.419
  409    HA   VAL  60           HA       VAL  60   1.453  -8.044   8.268
  410    HB   VAL  60           HB       VAL  60   0.687  -7.633   5.616
  411   1HG1  VAL  60          1HG1      VAL  60  -0.109  -5.154   7.113
  412   2HG1  VAL  60          2HG1      VAL  60  -1.203  -6.270   6.315
  413   3HG1  VAL  60          3HG1      VAL  60  -0.043  -5.347   5.367
  414   1HG2  VAL  60          1HG2      VAL  60   2.781  -6.809   5.523
  415   2HG2  VAL  60          2HG2      VAL  60   2.830  -6.701   7.276
  416   3HG2  VAL  60          3HG2      VAL  60   2.250  -5.338   6.335
  417    HA   PRO  61           HA       PRO  61  -1.212  -6.376  11.303
  418   1HB   PRO  61          2HB       PRO  61  -0.604  -3.586  11.260
  419   2HB   PRO  61          1HB       PRO  61   0.121  -4.834  12.283
  420   1HG   PRO  61          2HG       PRO  61   1.200  -3.538   9.887
  421   2HG   PRO  61          1HG       PRO  61   2.045  -4.435  11.154
  422   1HD   PRO  61          2HD       PRO  61   1.580  -5.360   8.584
  423   2HD   PRO  61          1HD       PRO  61   1.991  -6.397   9.940
  424    H    ALA  62           H        ALA  62  -3.198  -6.735  10.258
  425    HA   ALA  62           HA       ALA  62  -4.525  -4.945   8.483
  426   1HB   ALA  62          1HB       ALA  62  -6.587  -6.161   9.173
  427   2HB   ALA  62          2HB       ALA  62  -5.661  -6.967  10.444
  428   3HB   ALA  62          3HB       ALA  62  -5.282  -7.266   8.748
  429    H    ALA  63           H        ALA  63  -4.673  -2.848   9.143
  430    HA   ALA  63           HA       ALA  63  -4.789  -1.830  11.722
  431   1HB   ALA  63          1HB       ALA  63  -5.351   0.219  10.694
  432   2HB   ALA  63          2HB       ALA  63  -6.247  -0.579   9.398
  433   3HB   ALA  63          3HB       ALA  63  -4.488  -0.670   9.438
  434    H    ASN  64           H        ASN  64  -6.428  -1.091  13.049
  435    HA   ASN  64           HA       ASN  64  -8.791  -2.679  13.277
  436   1HB   ASN  64          2HB       ASN  64  -9.532  -0.622  14.804
  437   2HB   ASN  64          1HB       ASN  64  -8.239  -1.703  15.314
  438   1HD2  ASN  64          1HD2      ASN  64  -7.847   0.681  12.702
  439   2HD2  ASN  64          2HD2      ASN  64  -6.744   1.661  13.537
  440    H    GLU  65           H        GLU  65 -10.985  -1.136  13.627
  441    HA   GLU  65           HA       GLU  65 -11.863  -0.668  10.931
  442   1HB   GLU  65          2HB       GLU  65 -13.989  -0.009  11.938
  443   2HB   GLU  65          1HB       GLU  65 -13.364  -1.471  12.701
  444   1HG   GLU  65          2HG       GLU  65 -12.312   0.081  14.453
  445   2HG   GLU  65          1HG       GLU  65 -13.333   1.353  13.783
  446    H    ARG  66           H        ARG  66  -9.882   1.308  12.621
  447    HA   ARG  66           HA       ARG  66 -11.157   3.863  12.334
  448   1HB   ARG  66          2HB       ARG  66  -8.322   2.927  12.687
  449   2HB   ARG  66          1HB       ARG  66  -8.615   4.610  12.282
  450   1HG   ARG  66          2HG       ARG  66  -9.782   5.030  14.287
  451   2HG   ARG  66          1HG       ARG  66 -10.149   3.327  14.544
  452   1HD   ARG  66          2HD       ARG  66  -8.143   2.923  15.592
  453   2HD   ARG  66          1HD       ARG  66  -7.241   3.989  14.511
  454    HE   ARG  66           HE       ARG  66  -7.493   5.675  16.122
  455   1HH1  ARG  66          1HH2      ARG  66  -9.841   3.187  16.552
  456   2HH1  ARG  66          2HH2      ARG  66 -10.627   3.975  17.873
  457   1HH2  ARG  66          1HH1      ARG  66  -8.527   6.730  17.831
  458   2HH2  ARG  66          2HH1      ARG  66  -9.890   5.981  18.594
  459    H    GLU  67           H        GLU  67  -9.051   1.967  10.158
  460    HA   GLU  67           HA       GLU  67  -9.101   4.058   8.112
  461   1HB   GLU  67          2HB       GLU  67  -8.201   1.164   7.981
  462   2HB   GLU  67          1HB       GLU  67  -7.989   2.340   6.685
  463   1HG   GLU  67          2HG       GLU  67  -5.931   2.310   7.924
  464   2HG   GLU  67          1HG       GLU  67  -6.763   3.802   8.359
  465    H    ILE  68           H        ILE  68 -10.778   1.005   8.711
  466    HA   ILE  68           HA       ILE  68 -12.096   0.598   6.283
  467    HB   ILE  68           HB       ILE  68 -13.014   0.195   9.125
  468   1HG1  ILE  68          2HG1      ILE  68 -12.734  -2.143   8.598
  469   2HG1  ILE  68          1HG1      ILE  68 -12.572  -1.791   6.877
  470   1HG2  ILE  68          1HG2      ILE  68 -15.101   0.615   8.052
  471   2HG2  ILE  68          2HG2      ILE  68 -14.938  -1.139   8.092
  472   3HG2  ILE  68          3HG2      ILE  68 -14.607  -0.257   6.600
  473   1HD1  ILE  68          1HD1      ILE  68 -10.631  -0.758   8.963
  474   2HD1  ILE  68          2HD1      ILE  68 -10.434  -0.742   7.209
  475   3HD1  ILE  68          3HD1      ILE  68 -10.394  -2.269   8.091
  476    H    GLY  69           H        GLY  69 -12.797   3.060   8.730
  477   1HA   GLY  69          2HA       GLY  69 -15.213   3.981   7.381
  478   2HA   GLY  69          1HA       GLY  69 -14.367   4.835   8.670
  479    H    MET  70           H        MET  70 -11.788   4.700   7.187
  480    HA   MET  70           HA       MET  70 -12.161   7.126   5.568
  481   1HB   MET  70          2HB       MET  70  -9.648   5.437   5.794
  482   2HB   MET  70          1HB       MET  70  -9.763   7.141   5.363
  483   1HG   MET  70          2HG       MET  70 -10.480   7.725   7.602
  484   2HG   MET  70          1HG       MET  70 -10.585   6.023   8.053
  485   1HE   MET  70          1HE       MET  70  -9.511   6.679   9.993
  486   2HE   MET  70          2HE       MET  70  -7.805   7.019  10.246
  487   3HE   MET  70          3HE       MET  70  -8.318   5.377   9.880
  488    H    LEU  71           H        LEU  71 -11.552   3.697   5.094
  489    HA   LEU  71           HA       LEU  71 -11.070   3.796   2.262
  490   1HB   LEU  71          2HB       LEU  71 -12.145   1.636   4.100
  491   2HB   LEU  71          1HB       LEU  71 -11.849   1.367   2.385
  492    HG   LEU  71           HG       LEU  71  -9.757   2.290   4.382
  493   1HD1  LEU  71          1HD1      LEU  71 -10.693  -0.122   4.565
  494   2HD1  LEU  71          2HD1      LEU  71  -8.948   0.070   4.451
  495   3HD1  LEU  71          3HD1      LEU  71  -9.878  -0.409   3.030
  496   1HD2  LEU  71          1HD2      LEU  71  -9.745   1.829   1.406
  497   2HD2  LEU  71          2HD2      LEU  71  -8.305   1.387   2.309
  498   3HD2  LEU  71          3HD2      LEU  71  -8.893   3.041   2.354
  499    H    GLU  72           H        GLU  72 -13.930   4.011   4.239
  500    HA   GLU  72           HA       GLU  72 -15.756   3.445   2.015
  501   1HB   GLU  72          2HB       GLU  72 -16.296   3.007   4.456
  502   2HB   GLU  72          1HB       GLU  72 -16.357   4.753   4.696
  503   1HG   GLU  72          2HG       GLU  72 -18.253   4.993   3.285
  504   2HG   GLU  72          1HG       GLU  72 -18.017   3.411   2.552
  505    H    CYS  73           H        CYS  73 -13.659   5.842   2.532
  506    HA   CYS  73           HA       CYS  73 -15.454   7.983   1.428
  507   1HB   CYS  73          2HB       CYS  73 -13.844   7.948   3.800
  508   2HB   CYS  73          1HB       CYS  73 -13.095   9.089   2.685
  509    HG   CYS  73           HG       CYS  73 -16.027   9.326   3.741
  510    H    VAL  74           H        VAL  74 -13.681   5.934  -0.028
  511    HA   VAL  74           HA       VAL  74 -11.646   7.751  -1.221
  512    HB   VAL  74           HB       VAL  74 -10.895   5.729  -2.436
  513   1HG1  VAL  74          1HG1      VAL  74 -10.213   4.450  -0.342
  514   2HG1  VAL  74          2HG1      VAL  74 -11.227   5.569   0.568
  515   3HG1  VAL  74          3HG1      VAL  74  -9.838   6.172  -0.331
  516   1HG2  VAL  74          1HG2      VAL  74 -13.041   4.577  -2.611
  517   2HG2  VAL  74          2HG2      VAL  74 -13.130   4.428  -0.858
  518   3HG2  VAL  74          3HG2      VAL  74 -11.893   3.557  -1.755
  519    H    THR  75           H        THR  75 -11.496   7.635  -3.689
  520    HA   THR  75           HA       THR  75 -14.243   7.927  -4.850
  521    HB   THR  75           HB       THR  75 -11.684   8.924  -6.117
  522    HG1  THR  75           1HG      THR  75 -12.662   9.626  -3.752
  523   1HG2  THR  75          1HG2      THR  75 -13.253  10.666  -6.975
  524   2HG2  THR  75          2HG2      THR  75 -14.579   9.835  -6.162
  525   3HG2  THR  75          3HG2      THR  75 -13.712   9.040  -7.480
  526    H    ALA  76           H        ALA  76 -11.809   5.626  -4.782
  527    HA   ALA  76           HA       ALA  76 -12.215   4.827  -7.644
  528   1HB   ALA  76          1HB       ALA  76 -10.239   3.193  -6.704
  529   2HB   ALA  76          2HB       ALA  76 -10.037   4.592  -5.645
  530   3HB   ALA  76          3HB       ALA  76  -9.933   4.785  -7.391
  531    H    GLU  77           H        GLU  77 -12.281   2.372  -7.962
  532    HA   GLU  77           HA       GLU  77 -14.532   1.254  -6.695
  533   1HB   GLU  77          2HB       GLU  77 -14.269   0.012  -8.586
  534   2HB   GLU  77          1HB       GLU  77 -12.630   0.601  -8.753
  535   1HG   GLU  77          2HG       GLU  77 -11.729  -1.266  -7.555
  536   2HG   GLU  77          1HG       GLU  77 -13.319  -1.742  -6.948
  537    H    LEU  78           H        LEU  78 -14.505   0.836  -4.449
  538    HA   LEU  78           HA       LEU  78 -12.047   0.037  -3.143
  539   1HB   LEU  78          2HB       LEU  78 -14.135   1.216  -2.099
  540   2HB   LEU  78          1HB       LEU  78 -14.788  -0.417  -1.967
  541    HG   LEU  78           HG       LEU  78 -12.457  -0.969  -0.858
  542   1HD1  LEU  78          1HD1      LEU  78 -11.394   0.833   0.237
  543   2HD1  LEU  78          2HD1      LEU  78 -12.647   1.965  -0.218
  544   3HD1  LEU  78          3HD1      LEU  78 -11.546   1.321  -1.421
  545   1HD2  LEU  78          1HD2      LEU  78 -14.652  -1.022   0.294
  546   2HD2  LEU  78          2HD2      LEU  78 -14.509   0.709   0.602
  547   3HD2  LEU  78          3HD2      LEU  78 -13.365  -0.415   1.340
  548    H    LYS  79           H        LYS  79 -11.560  -1.855  -2.188
  549    HA   LYS  79           HA       LYS  79 -12.664  -4.271  -3.538
  550   1HB   LYS  79          2HB       LYS  79  -9.968  -3.319  -2.652
  551   2HB   LYS  79          1HB       LYS  79 -10.236  -5.056  -2.757
  552   1HG   LYS  79          2HG       LYS  79 -10.878  -3.197  -5.052
  553   2HG   LYS  79          1HG       LYS  79  -9.261  -3.845  -4.821
  554   1HD   LYS  79          2HD       LYS  79 -10.264  -6.160  -4.809
  555   2HD   LYS  79          1HD       LYS  79 -11.800  -5.437  -5.288
  556   1HE   LYS  79          2HE       LYS  79 -10.780  -4.509  -7.302
  557   2HE   LYS  79          1HE       LYS  79  -9.210  -5.152  -6.828
  558   1HZ   LYS  79          1HZ       LYS  79 -11.554  -6.548  -7.867
  559   2HZ   LYS  79          2HZ       LYS  79 -10.621  -7.362  -6.704
  560   3HZ   LYS  79          3HZ       LYS  79  -9.906  -6.836  -8.151
  561    HA   PRO  80           HA       PRO  80 -13.875  -5.829   0.429
  562   1HB   PRO  80          2HB       PRO  80 -12.828  -8.442   0.303
  563   2HB   PRO  80          1HB       PRO  80 -14.407  -7.934  -0.328
  564   1HG   PRO  80          2HG       PRO  80 -11.835  -8.352  -1.761
  565   2HG   PRO  80          1HG       PRO  80 -13.496  -8.644  -2.311
  566   1HD   PRO  80          2HD       PRO  80 -12.061  -6.495  -3.151
  567   2HD   PRO  80          1HD       PRO  80 -13.825  -6.422  -2.931
  568    H    ASN  81           H        ASN  81 -10.586  -5.921  -0.612
  569    HA   ASN  81           HA       ASN  81  -9.628  -5.964   2.236
  570   1HB   ASN  81          2HB       ASN  81  -7.599  -7.064   1.430
  571   2HB   ASN  81          1HB       ASN  81  -9.009  -8.011   0.957
  572   1HD2  ASN  81          1HD2      ASN  81  -6.225  -6.366  -0.252
  573   2HD2  ASN  81          2HD2      ASN  81  -6.598  -6.493  -1.898
  574    H    SER  82           H        SER  82 -10.318  -3.555   0.525
  575    HA   SER  82           HA       SER  82  -8.016  -2.326  -0.548
  576   1HB   SER  82          2HB       SER  82 -10.517  -1.261   0.745
  577   2HB   SER  82          1HB       SER  82  -9.293  -0.198   0.050
  578    HG   SER  82           HG       SER  82 -10.478  -0.588  -1.666
  579    H    ARG  83           H        ARG  83  -6.979  -0.343   0.496
  580    HA   ARG  83           HA       ARG  83  -6.885  -0.117   3.387
  581   1HB   ARG  83          2HB       ARG  83  -5.318  -2.239   2.268
  582   2HB   ARG  83          1HB       ARG  83  -4.188  -1.011   2.828
  583   1HG   ARG  83          2HG       ARG  83  -4.955  -1.134   5.054
  584   2HG   ARG  83          1HG       ARG  83  -6.439  -1.975   4.602
  585   1HD   ARG  83          2HD       ARG  83  -5.415  -4.014   4.669
  586   2HD   ARG  83          1HD       ARG  83  -4.014  -3.431   3.778
  587    HE   ARG  83           HE       ARG  83  -3.829  -2.367   6.382
  588   1HH1  ARG  83          1HH2      ARG  83  -3.885  -5.354   4.688
  589   2HH1  ARG  83          2HH2      ARG  83  -2.892  -6.188   5.830
  590   1HH2  ARG  83          1HH1      ARG  83  -2.491  -3.414   7.877
  591   2HH2  ARG  83          2HH1      ARG  83  -2.089  -5.081   7.639
  592    H    LEU  84           H        LEU  84  -4.968   1.131   4.156
  593    HA   LEU  84           HA       LEU  84  -4.373   3.333   2.234
  594   1HB   LEU  84          2HB       LEU  84  -3.978   3.245   5.245
  595   2HB   LEU  84          1HB       LEU  84  -3.958   4.677   4.221
  596    HG   LEU  84           HG       LEU  84  -6.354   2.884   4.716
  597   1HD1  LEU  84          1HD1      LEU  84  -5.492   4.568   6.533
  598   2HD1  LEU  84          2HD1      LEU  84  -7.205   4.549   6.123
  599   3HD1  LEU  84          3HD1      LEU  84  -6.153   5.799   5.459
  600   1HD2  LEU  84          1HD2      LEU  84  -6.656   3.707   2.528
  601   2HD2  LEU  84          2HD2      LEU  84  -5.871   5.243   2.885
  602   3HD2  LEU  84          3HD2      LEU  84  -7.490   4.911   3.507
  603    H    CYS  85           H        CYS  85  -2.419   2.961   1.232
  604    HA   CYS  85           HA       CYS  85  -0.539   1.050   2.054
  605   1HB   CYS  85          2HB       CYS  85   0.356   1.508   0.035
  606   2HB   CYS  85          1HB       CYS  85  -0.835   2.788  -0.124
  607    HG   CYS  85           HG       CYS  85   2.075   3.272   0.030
  608    H    CYS  86           H        CYS  86  -0.976   4.105   3.590
  609    HA   CYS  86           HA       CYS  86   1.868   4.240   4.402
  610   1HB   CYS  86          2HB       CYS  86   1.206   6.194   5.720
  611   2HB   CYS  86          1HB       CYS  86   0.629   6.334   4.054
  612    H    GLN  87           H        GLN  87  -1.250   3.406   5.912
  613    HA   GLN  87           HA       GLN  87   0.055   2.919   8.481
  614   1HB   GLN  87          2HB       GLN  87  -2.469   3.599   7.873
  615   2HB   GLN  87          1HB       GLN  87  -2.691   1.853   7.910
  616   1HG   GLN  87          2HG       GLN  87  -1.536   3.551  10.152
  617   2HG   GLN  87          1HG       GLN  87  -3.133   2.805  10.131
  618   1HE2  GLN  87          1HE2      GLN  87   0.199   2.266  10.886
  619   2HE2  GLN  87          2HE2      GLN  87   0.074   0.609  11.230
  620    H    ILE  88           H        ILE  88   1.302   1.354   6.471
  621    HA   ILE  88           HA       ILE  88   0.572  -1.394   7.406
  622    HB   ILE  88           HB       ILE  88   1.572  -0.872   4.591
  623   1HG1  ILE  88          2HG1      ILE  88  -1.281  -0.920   5.620
  624   2HG1  ILE  88          1HG1      ILE  88  -0.470   0.422   4.815
  625   1HG2  ILE  88          1HG2      ILE  88   0.720  -3.073   4.183
  626   2HG2  ILE  88          2HG2      ILE  88  -0.136  -3.087   5.721
  627   3HG2  ILE  88          3HG2      ILE  88   1.624  -3.166   5.693
  628   1HD1  ILE  88          1HD1      ILE  88  -0.135  -1.161   2.836
  629   2HD1  ILE  88          2HD1      ILE  88  -1.787  -0.622   3.123
  630   3HD1  ILE  88          3HD1      ILE  88  -1.284  -2.234   3.625
  631    H    ILE  89           H        ILE  89   2.433  -2.865   7.401
  632    HA   ILE  89           HA       ILE  89   5.101  -1.480   7.452
  633    HB   ILE  89           HB       ILE  89   3.962  -3.416   9.491
  634   1HG1  ILE  89          2HG1      ILE  89   3.185  -1.110   9.801
  635   2HG1  ILE  89          1HG1      ILE  89   4.309  -1.556  11.084
  636   1HG2  ILE  89          1HG2      ILE  89   6.757  -2.338   9.097
  637   2HG2  ILE  89          2HG2      ILE  89   6.248  -4.019   9.255
  638   3HG2  ILE  89          3HG2      ILE  89   6.194  -2.950  10.653
  639   1HD1  ILE  89          1HD1      ILE  89   5.222   0.480  10.552
  640   2HD1  ILE  89          2HD1      ILE  89   4.616   0.441   8.900
  641   3HD1  ILE  89          3HD1      ILE  89   6.064  -0.465   9.328
  642    H    MET  90           H        MET  90   6.607  -2.592   6.248
  643    HA   MET  90           HA       MET  90   5.872  -5.266   5.256
  644   1HB   MET  90          2HB       MET  90   7.050  -3.185   4.002
  645   2HB   MET  90          1HB       MET  90   8.497  -4.040   4.531
  646   1HG   MET  90          2HG       MET  90   7.826  -4.819   2.316
  647   2HG   MET  90          1HG       MET  90   7.623  -6.113   3.474
  648   1HE   MET  90          1HE       MET  90   5.825  -7.470   3.566
  649   2HE   MET  90          2HE       MET  90   5.776  -7.454   1.812
  650   3HE   MET  90          3HE       MET  90   4.280  -7.304   2.732
  651    H    THR  91           H        THR  91   7.457  -7.019   5.289
  652    HA   THR  91           HA       THR  91   9.533  -6.931   7.362
  653    HB   THR  91           HB       THR  91   8.530  -8.942   8.528
  654    HG1  THR  91           1HG      THR  91   6.038  -8.218   7.560
  655   1HG2  THR  91          1HG2      THR  91   6.709  -6.539   8.637
  656   2HG2  THR  91          2HG2      THR  91   8.325  -6.556   9.346
  657   3HG2  THR  91          3HG2      THR  91   7.093  -7.671   9.934
  658    HA   PRO  92           HA       PRO  92  11.388  -9.657   4.434
  659   1HB   PRO  92          2HB       PRO  92  12.692 -11.450   6.155
  660   2HB   PRO  92          1HB       PRO  92  13.337  -9.889   5.621
  661   1HG   PRO  92          2HG       PRO  92  11.959 -10.607   8.171
  662   2HG   PRO  92          1HG       PRO  92  13.315  -9.497   7.889
  663   1HD   PRO  92          2HD       PRO  92  10.819  -8.578   8.318
  664   2HD   PRO  92          1HD       PRO  92  11.921  -7.757   7.185
  665    H    GLU  93           H        GLU  93   9.703 -11.244   7.156
  666    HA   GLU  93           HA       GLU  93   9.390 -13.781   5.851
  667   1HB   GLU  93          2HB       GLU  93   7.324 -13.865   7.496
  668   2HB   GLU  93          1HB       GLU  93   8.961 -13.872   8.147
  669   1HG   GLU  93          2HG       GLU  93   8.867 -11.582   8.734
  670   2HG   GLU  93          1HG       GLU  93   7.462 -11.288   7.711
  671    H    LEU  94           H        LEU  94   7.689 -10.739   5.594
  672    HA   LEU  94           HA       LEU  94   5.537 -11.978   3.953
  673   1HB   LEU  94          2HB       LEU  94   5.945  -9.206   5.107
  674   2HB   LEU  94          1HB       LEU  94   4.622  -9.585   4.043
  675    HG   LEU  94           HG       LEU  94   5.150 -10.605   6.832
  676   1HD1  LEU  94          1HD1      LEU  94   2.769  -9.329   5.463
  677   2HD1  LEU  94          2HD1      LEU  94   3.898  -8.540   6.565
  678   3HD1  LEU  94          3HD1      LEU  94   2.831  -9.809   7.164
  679   1HD2  LEU  94          1HD2      LEU  94   4.516 -12.644   5.762
  680   2HD2  LEU  94          2HD2      LEU  94   3.328 -11.827   4.737
  681   3HD2  LEU  94          3HD2      LEU  94   3.041 -12.012   6.465
  682    H    ASP  95           H        ASP  95   8.400 -11.647   3.153
  683    HA   ASP  95           HA       ASP  95   8.603  -9.610   1.175
  684   1HB   ASP  95          2HB       ASP  95  10.489 -10.911   0.330
  685   2HB   ASP  95          1HB       ASP  95  10.513 -10.935   2.096
  686    H    GLY  96           H        GLY  96   7.965  -9.555  -0.953
  687   1HA   GLY  96          2HA       GLY  96   7.438 -10.662  -3.076
  688   2HA   GLY  96          1HA       GLY  96   6.735 -11.998  -2.167
  689    H    ILE  97           H        ILE  97   5.867  -9.035  -0.779
  690    HA   ILE  97           HA       ILE  97   3.110  -9.430  -1.332
  691    HB   ILE  97           HB       ILE  97   3.901  -8.177   0.602
  692   1HG1  ILE  97          2HG1      ILE  97   2.260  -6.382  -1.199
  693   2HG1  ILE  97          1HG1      ILE  97   1.608  -7.780  -0.352
  694   1HG2  ILE  97          1HG2      ILE  97   5.784  -7.036  -0.515
  695   2HG2  ILE  97          2HG2      ILE  97   4.744  -5.901   0.326
  696   3HG2  ILE  97          3HG2      ILE  97   4.636  -6.037  -1.408
  697   1HD1  ILE  97          1HD1      ILE  97   2.150  -6.820   1.796
  698   2HD1  ILE  97          2HD1      ILE  97   1.295  -5.591   0.872
  699   3HD1  ILE  97          3HD1      ILE  97   3.042  -5.503   1.044
  700    H    VAL  98           H        VAL  98   1.788  -8.836  -2.925
  701    HA   VAL  98           HA       VAL  98   2.896  -7.140  -5.133
  702    HB   VAL  98           HB       VAL  98   0.366  -8.787  -5.243
  703   1HG1  VAL  98          1HG1      VAL  98   1.028  -8.926  -7.649
  704   2HG1  VAL  98          2HG1      VAL  98   2.406  -7.884  -7.304
  705   3HG1  VAL  98          3HG1      VAL  98   0.764  -7.270  -7.106
  706   1HG2  VAL  98          1HG2      VAL  98   2.067 -10.332  -4.446
  707   2HG2  VAL  98          2HG2      VAL  98   3.221  -9.736  -5.644
  708   3HG2  VAL  98          3HG2      VAL  98   1.800 -10.640  -6.161
  709    H    VAL  99           H        VAL  99   2.227  -4.991  -4.988
  710    HA   VAL  99           HA       VAL  99  -0.377  -4.390  -3.683
  711    HB   VAL  99           HB       VAL  99   1.657  -2.346  -4.547
  712   1HG1  VAL  99          1HG1      VAL  99  -0.469  -1.578  -3.616
  713   2HG1  VAL  99          2HG1      VAL  99   0.844  -1.213  -2.495
  714   3HG1  VAL  99          3HG1      VAL  99  -0.225  -2.581  -2.182
  715   1HG2  VAL  99          1HG2      VAL  99   2.686  -2.667  -2.217
  716   2HG2  VAL  99          2HG2      VAL  99   3.101  -3.868  -3.441
  717   3HG2  VAL  99          3HG2      VAL  99   1.894  -4.244  -2.210
  718    H    ASP 100           H        ASP 100  -2.007  -3.608  -4.897
  719    HA   ASP 100           HA       ASP 100  -1.504  -3.088  -7.796
  720   1HB   ASP 100          2HB       ASP 100  -3.657  -4.359  -6.249
  721   2HB   ASP 100          1HB       ASP 100  -4.250  -3.247  -7.490
  722    H    VAL 101           H        VAL 101  -1.299  -1.031  -8.266
  723    HA   VAL 101           HA       VAL 101  -2.626   1.044  -6.601
  724    HB   VAL 101           HB       VAL 101  -0.479   1.373  -8.714
  725   1HG1  VAL 101          1HG1      VAL 101  -0.129   3.543  -7.510
  726   2HG1  VAL 101          2HG1      VAL 101  -1.559   3.190  -6.538
  727   3HG1  VAL 101          3HG1      VAL 101  -1.713   3.426  -8.277
  728   1HG2  VAL 101          1HG2      VAL 101  -0.297   1.066  -5.703
  729   2HG2  VAL 101          2HG2      VAL 101   1.036   1.609  -6.724
  730   3HG2  VAL 101          3HG2      VAL 101   0.382  -0.018  -6.913
  731    HA   PRO 102           HA       PRO 102  -5.318   1.416 -10.271
  732   1HB   PRO 102          2HB       PRO 102  -7.229   2.986  -9.227
  733   2HB   PRO 102          1HB       PRO 102  -7.023   1.321  -8.665
  734   1HG   PRO 102          2HG       PRO 102  -6.080   3.839  -7.404
  735   2HG   PRO 102          1HG       PRO 102  -6.875   2.426  -6.670
  736   1HD   PRO 102          2HD       PRO 102  -4.140   2.833  -6.618
  737   2HD   PRO 102          1HD       PRO 102  -4.913   1.231  -6.515
  738    H    ASP 103           H        ASP 103  -6.271   3.266 -11.548
  739    HA   ASP 103           HA       ASP 103  -4.287   5.396 -11.883
  740   1HB   ASP 103          2HB       ASP 103  -5.588   4.270 -13.783
  741   2HB   ASP 103          1HB       ASP 103  -6.986   5.204 -13.248
  742    H    ARG 104           H        ARG 104  -7.153   4.898 -10.088
  743    HA   ARG 104           HA       ARG 104  -7.579   7.830  -9.654
  744   1HB   ARG 104          2HB       ARG 104  -9.332   5.384  -9.536
  745   2HB   ARG 104          1HB       ARG 104  -9.749   6.779  -8.544
  746   1HG   ARG 104          2HG       ARG 104  -9.202   7.024 -11.506
  747   2HG   ARG 104          1HG       ARG 104 -10.802   6.626 -10.890
  748   1HD   ARG 104          2HD       ARG 104 -11.016   8.926 -10.961
  749   2HD   ARG 104          1HD       ARG 104 -10.312   8.800  -9.357
  750    HE   ARG 104           HE       ARG 104  -8.137   8.969 -11.123
  751   1HH1  ARG 104          1HH2      ARG 104 -10.931  10.810 -10.250
  752   2HH1  ARG 104          2HH2      ARG 104 -10.207  12.337 -10.636
  753   1HH2  ARG 104          1HH1      ARG 104  -7.184  10.956 -11.637
  754   2HH2  ARG 104          2HH1      ARG 104  -8.087  12.419 -11.422
  755    H    GLN 105           H        GLN 105  -5.703   7.830  -8.132
  756    HA   GLN 105           HA       GLN 105  -5.913   6.104  -5.755
  757   1HB   GLN 105          2HB       GLN 105  -4.068   8.475  -6.186
  758   2HB   GLN 105          1HB       GLN 105  -3.861   7.154  -5.040
  759   1HG   GLN 105          2HG       GLN 105  -2.425   6.592  -6.840
  760   2HG   GLN 105          1HG       GLN 105  -3.859   5.597  -7.096
  761   1HE2  GLN 105          1HE2      GLN 105  -2.838   5.746  -9.440
  762   2HE2  GLN 105          2HE2      GLN 105  -3.396   7.025 -10.401
  763    H    TRP 106           H        TRP 106  -6.610   9.395  -6.709
  764    HA   TRP 106           HA       TRP 106  -7.593  11.183  -5.534
  765   1HB   TRP 106          2HB       TRP 106  -9.490   9.733  -5.917
  766   2HB   TRP 106          1HB       TRP 106  -9.067   8.741  -4.532
  767    HD1  TRP 106           HD       TRP 106 -10.391   9.258  -2.480
  768    HE1  TRP 106           1HE      TRP 106 -11.679  11.329  -1.556
  769    HE3  TRP 106           3HE      TRP 106  -9.267  12.705  -6.072
  770    HZ2  TRP 106           2HZ      TRP 106 -12.099  14.046  -2.214
  771    HZ3  TRP 106           3HZ      TRP 106 -10.116  15.026  -5.893
  772    HH2  TRP 106           HH       TRP 106 -11.530  15.701  -3.974
  Start of MODEL   10
    1   1H    SER   1          1HT       SER   1  13.529  -7.318   1.834
    2   2H    SER   1          2HT       SER   1  12.978  -7.676   3.403
    3   3H    SER   1          3HT       SER   1  12.422  -6.286   2.598
    4    HA   SER   1           HA       SER   1  11.827  -9.111   1.922
    5   1HB   SER   1          2HB       SER   1   9.450  -7.945   2.107
    6   2HB   SER   1          1HB       SER   1  10.282  -8.503   3.555
    7    HG   SER   1           HG       SER   1  10.620  -5.901   2.496
    8    H    LYS   2           H        LYS   2  10.322  -9.261   0.019
    9    HA   LYS   2           HA       LYS   2  11.178  -7.355  -2.077
   10   1HB   LYS   2          2HB       LYS   2  10.095 -10.131  -1.953
   11   2HB   LYS   2          1HB       LYS   2   9.597  -9.192  -3.354
   12   1HG   LYS   2          2HG       LYS   2  12.503  -9.322  -2.533
   13   2HG   LYS   2          1HG       LYS   2  11.788 -10.605  -3.505
   14   1HD   LYS   2          2HD       LYS   2  11.022  -8.805  -5.136
   15   2HD   LYS   2          1HD       LYS   2  12.013  -7.668  -4.217
   16   1HE   LYS   2          2HE       LYS   2  14.014  -8.954  -4.675
   17   2HE   LYS   2          1HE       LYS   2  13.069 -10.231  -5.440
   18   1HZ   LYS   2          1HZ       LYS   2  13.788  -7.588  -6.456
   19   2HZ   LYS   2          2HZ       LYS   2  12.262  -8.198  -6.888
   20   3HZ   LYS   2          3HZ       LYS   2  13.669  -9.069  -7.269
   21    H    VAL   3           H        VAL   3   9.896  -5.607  -2.407
   22    HA   VAL   3           HA       VAL   3   6.939  -5.869  -1.910
   23    HB   VAL   3           HB       VAL   3   8.850  -3.530  -1.735
   24   1HG1  VAL   3          1HG1      VAL   3   6.491  -2.972  -2.675
   25   2HG1  VAL   3          2HG1      VAL   3   7.087  -2.047  -1.307
   26   3HG1  VAL   3          3HG1      VAL   3   5.920  -3.346  -1.052
   27   1HG2  VAL   3          1HG2      VAL   3   7.265  -5.156   0.248
   28   2HG2  VAL   3          2HG2      VAL   3   7.859  -3.550   0.652
   29   3HG2  VAL   3          3HG2      VAL   3   8.996  -4.831   0.227
   30    H    VAL   4           H        VAL   4   5.999  -6.222  -3.886
   31    HA   VAL   4           HA       VAL   4   7.054  -4.754  -6.243
   32    HB   VAL   4           HB       VAL   4   5.000  -6.931  -6.157
   33   1HG1  VAL   4          1HG1      VAL   4   6.556  -5.589  -8.373
   34   2HG1  VAL   4          2HG1      VAL   4   4.804  -5.636  -8.173
   35   3HG1  VAL   4          3HG1      VAL   4   5.685  -7.106  -8.600
   36   1HG2  VAL   4          1HG2      VAL   4   7.998  -6.985  -6.476
   37   2HG2  VAL   4          2HG2      VAL   4   6.984  -8.273  -7.118
   38   3HG2  VAL   4          3HG2      VAL   4   6.998  -7.946  -5.387
   39    H    TYR   5           H        TYR   5   6.037  -3.090  -7.051
   40    HA   TYR   5           HA       TYR   5   3.294  -2.370  -6.139
   41   1HB   TYR   5          2HB       TYR   5   5.480  -0.650  -7.351
   42   2HB   TYR   5          1HB       TYR   5   3.853  -0.077  -6.981
   43    HD1  TYR   5           1HD      TYR   5   7.062  -1.159  -5.589
   44    HD2  TYR   5           2HD      TYR   5   3.083   0.148  -4.655
   45    HE1  TYR   5           1HE      TYR   5   7.743  -0.775  -3.255
   46    HE2  TYR   5           2HE      TYR   5   3.768   0.546  -2.302
   47    HH   TYR   5           HH       TYR   5   6.905   0.751  -1.296
   48    H    VAL   6           H        VAL   6   1.778  -2.967  -7.601
   49    HA   VAL   6           HA       VAL   6   2.554  -3.191 -10.473
   50    HB   VAL   6           HB       VAL   6   0.114  -4.158  -8.957
   51   1HG1  VAL   6          1HG1      VAL   6   0.880  -4.311 -11.879
   52   2HG1  VAL   6          2HG1      VAL   6  -0.615  -3.687 -11.181
   53   3HG1  VAL   6          3HG1      VAL   6  -0.282  -5.418 -11.152
   54   1HG2  VAL   6          1HG2      VAL   6   2.167  -5.418  -8.474
   55   2HG2  VAL   6          2HG2      VAL   6   2.470  -5.608 -10.202
   56   3HG2  VAL   6          3HG2      VAL   6   1.075  -6.391  -9.457
   57    H    SER   7           H        SER   7   2.205  -1.407 -11.622
   58    HA   SER   7           HA       SER   7   0.491   0.735 -10.713
   59   1HB   SER   7          2HB       SER   7   1.041   1.768 -12.920
   60   2HB   SER   7          1HB       SER   7   2.472   1.232 -12.047
   61    HG   SER   7           HG       SER   7   1.254  -0.619 -13.722
   62    H    HIS   8           H        HIS   8  -0.712   1.507 -13.168
   63    HA   HIS   8           HA       HIS   8  -3.040  -0.304 -13.124
   64   1HB   HIS   8          2HB       HIS   8  -3.690   1.670 -14.942
   65   2HB   HIS   8          1HB       HIS   8  -3.994   1.782 -13.213
   66    HD1  HIS   8           1HD      HIS   8  -1.444   2.518 -11.965
   67    HD2  HIS   8           2HD      HIS   8  -2.498   4.030 -15.711
   68    HE1  HIS   8           1HE      HIS   8  -0.112   4.657 -12.284
   69    HE2  HIS   8           2HE      HIS   8  -0.741   5.579 -14.558
   70    H    ASP   9           H        ASP   9  -0.750   1.022 -15.513
   71    HA   ASP   9           HA       ASP   9  -1.813  -0.519 -17.696
   72   1HB   ASP   9          2HB       ASP   9   0.433   0.081 -18.766
   73   2HB   ASP   9          1HB       ASP   9  -0.573   1.435 -18.250
   74    H    GLY  10           H        GLY  10  -0.372  -1.742 -14.996
   75   1HA   GLY  10          2HA       GLY  10   0.172  -4.071 -14.778
   76   2HA   GLY  10          1HA       GLY  10   0.558  -4.130 -16.493
   77    H    THR  11           H        THR  11   2.024  -1.376 -15.499
   78    HA   THR  11           HA       THR  11   4.643  -2.537 -15.601
   79    HB   THR  11           HB       THR  11   3.500   0.085 -15.607
   80    HG1  THR  11           1HG      THR  11   5.138   0.357 -16.895
   81   1HG2  THR  11          1HG2      THR  11   5.855  -0.183 -13.710
   82   2HG2  THR  11          2HG2      THR  11   4.228   0.322 -13.257
   83   3HG2  THR  11          3HG2      THR  11   5.199   1.336 -14.323
   84    H    ARG  12           H        ARG  12   5.778  -3.465 -14.026
   85    HA   ARG  12           HA       ARG  12   4.762  -3.339 -11.218
   86   1HB   ARG  12          2HB       ARG  12   6.759  -5.310 -12.339
   87   2HB   ARG  12          1HB       ARG  12   5.763  -5.469 -10.890
   88   1HG   ARG  12          2HG       ARG  12   3.751  -5.275 -12.533
   89   2HG   ARG  12          1HG       ARG  12   4.935  -5.660 -13.781
   90   1HD   ARG  12          2HD       ARG  12   5.417  -7.602 -11.795
   91   2HD   ARG  12          1HD       ARG  12   3.660  -7.442 -11.830
   92    HE   ARG  12           HE       ARG  12   5.186  -8.756 -13.824
   93   1HH1  ARG  12          1HH2      ARG  12   2.749  -6.356 -13.451
   94   2HH1  ARG  12          2HH2      ARG  12   2.002  -6.691 -14.970
   95   1HH2  ARG  12          1HH1      ARG  12   4.216  -9.231 -15.790
   96   2HH2  ARG  12          2HH1      ARG  12   2.825  -8.327 -16.286
   97    H    ARG  13           H        ARG  13   6.400  -3.307  -9.472
   98    HA   ARG  13           HA       ARG  13   9.119  -2.421 -10.187
   99   1HB   ARG  13          2HB       ARG  13   7.396  -0.392  -9.927
  100   2HB   ARG  13          1HB       ARG  13   7.688  -0.672  -8.209
  101   1HG   ARG  13          2HG       ARG  13  10.203  -0.656  -8.833
  102   2HG   ARG  13          1HG       ARG  13   9.679   0.076 -10.351
  103   1HD   ARG  13          2HD       ARG  13   8.350   1.556  -8.334
  104   2HD   ARG  13          1HD       ARG  13   9.985   1.309  -7.733
  105    HE   ARG  13           HE       ARG  13  10.846   2.534  -9.605
  106   1HH1  ARG  13          1HH2      ARG  13   7.395   2.176  -9.689
  107   2HH1  ARG  13          2HH2      ARG  13   7.177   3.475 -10.809
  108   1HH2  ARG  13          1HH1      ARG  13  10.555   4.204 -11.055
  109   2HH2  ARG  13          2HH1      ARG  13   8.955   4.613 -11.580
  110    H    GLU  14           H        GLU  14  10.328  -3.694  -8.911
  111    HA   GLU  14           HA       GLU  14   9.244  -4.599  -6.281
  112   1HB   GLU  14          2HB       GLU  14  11.743  -5.666  -7.591
  113   2HB   GLU  14          1HB       GLU  14  10.623  -6.486  -6.498
  114   1HG   GLU  14          2HG       GLU  14   8.876  -6.103  -8.425
  115   2HG   GLU  14          1HG       GLU  14  10.302  -5.867  -9.435
  116    H    LEU  15           H        LEU  15  10.138  -3.870  -4.387
  117    HA   LEU  15           HA       LEU  15  12.766  -2.401  -4.504
  118   1HB   LEU  15          2HB       LEU  15  10.562  -2.053  -2.438
  119   2HB   LEU  15          1HB       LEU  15  12.002  -1.067  -2.625
  120    HG   LEU  15           HG       LEU  15   9.677  -1.287  -4.481
  121   1HD1  LEU  15          1HD1      LEU  15  10.808   1.198  -3.198
  122   2HD1  LEU  15          2HD1      LEU  15   9.666   0.171  -2.332
  123   3HD1  LEU  15          3HD1      LEU  15   9.196   0.923  -3.842
  124   1HD2  LEU  15          1HD2      LEU  15  11.002   0.599  -5.708
  125   2HD2  LEU  15          2HD2      LEU  15  11.541  -1.056  -5.959
  126   3HD2  LEU  15          3HD2      LEU  15  12.400  -0.009  -4.827
  127    H    ASP  16           H        ASP  16  13.174  -2.150  -1.890
  128    HA   ASP  16           HA       ASP  16  13.096  -4.824  -0.621
  129   1HB   ASP  16          2HB       ASP  16  15.385  -4.390  -1.700
  130   2HB   ASP  16          1HB       ASP  16  15.545  -3.011  -0.612
  131    H    VAL  17           H        VAL  17  11.538  -4.088   0.862
  132    HA   VAL  17           HA       VAL  17  12.105  -1.547   2.366
  133    HB   VAL  17           HB       VAL  17   9.515  -3.147   2.352
  134   1HG1  VAL  17          1HG1      VAL  17   9.046  -1.540   3.889
  135   2HG1  VAL  17          2HG1      VAL  17   8.829  -0.495   2.498
  136   3HG1  VAL  17          3HG1      VAL  17  10.360  -0.487   3.365
  137   1HG2  VAL  17          1HG2      VAL  17   9.991  -2.733   0.042
  138   2HG2  VAL  17          2HG2      VAL  17  10.567  -1.109   0.369
  139   3HG2  VAL  17          3HG2      VAL  17   8.851  -1.477   0.524
  140    H    ALA  18           H        ALA  18  13.068  -1.872   4.286
  141    HA   ALA  18           HA       ALA  18  13.391  -4.480   5.443
  142   1HB   ALA  18          1HB       ALA  18  14.520  -3.305   7.271
  143   2HB   ALA  18          2HB       ALA  18  13.883  -1.767   6.690
  144   3HB   ALA  18          3HB       ALA  18  15.041  -2.664   5.716
  145    H    ASP  19           H        ASP  19  12.949  -4.783   7.845
  146    HA   ASP  19           HA       ASP  19  10.152  -4.957   8.277
  147   1HB   ASP  19          2HB       ASP  19  10.741  -5.830  10.452
  148   2HB   ASP  19          1HB       ASP  19  11.902  -6.445   9.277
  149    H    GLY  20           H        GLY  20   8.764  -3.724   9.375
  150   1HA   GLY  20          2HA       GLY  20   8.005  -2.017  10.868
  151   2HA   GLY  20          1HA       GLY  20   9.676  -1.537  11.122
  152    H    VAL  21           H        VAL  21   9.785  -1.561   7.926
  153    HA   VAL  21           HA       VAL  21   9.232   1.305   7.771
  154    HB   VAL  21           HB       VAL  21  10.062  -0.628   5.611
  155   1HG1  VAL  21          1HG1      VAL  21  10.130   2.378   5.795
  156   2HG1  VAL  21          2HG1      VAL  21   9.186   1.401   4.665
  157   3HG1  VAL  21          3HG1      VAL  21  10.942   1.453   4.536
  158   1HG2  VAL  21          1HG2      VAL  21  11.908   1.231   7.082
  159   2HG2  VAL  21          2HG2      VAL  21  12.317  -0.148   6.055
  160   3HG2  VAL  21          3HG2      VAL  21  11.610  -0.414   7.650
  161    H    SER  22           H        SER  22   7.516   2.233   6.650
  162    HA   SER  22           HA       SER  22   5.323   0.387   5.902
  163   1HB   SER  22          2HB       SER  22   3.995   2.519   5.717
  164   2HB   SER  22          1HB       SER  22   4.687   2.251   7.319
  165    HG   SER  22           HG       SER  22   5.517   4.162   7.012
  166    H    LEU  23           H        LEU  23   4.553   0.205   3.789
  167    HA   LEU  23           HA       LEU  23   6.222   0.471   1.589
  168   1HB   LEU  23          2HB       LEU  23   3.227   0.935   1.553
  169   2HB   LEU  23          1HB       LEU  23   4.218   0.425   0.191
  170    HG   LEU  23           HG       LEU  23   3.709  -1.140   2.739
  171   1HD1  LEU  23          1HD1      LEU  23   2.799  -2.787   0.993
  172   2HD1  LEU  23          2HD1      LEU  23   2.853  -1.441  -0.134
  173   3HD1  LEU  23          3HD1      LEU  23   1.832  -1.342   1.296
  174   1HD2  LEU  23          1HD2      LEU  23   5.662  -1.548   0.473
  175   2HD2  LEU  23          2HD2      LEU  23   4.988  -2.944   1.319
  176   3HD2  LEU  23          3HD2      LEU  23   5.918  -1.743   2.211
  177    H    MET  24           H        MET  24   4.158   2.961   3.008
  178    HA   MET  24           HA       MET  24   4.465   4.923   0.949
  179   1HB   MET  24          2HB       MET  24   2.799   5.321   2.607
  180   2HB   MET  24          1HB       MET  24   3.944   5.066   3.919
  181   1HG   MET  24          2HG       MET  24   3.293   7.503   3.420
  182   2HG   MET  24          1HG       MET  24   5.017   7.153   3.534
  183   1HE   MET  24          1HE       MET  24   3.977   9.630   2.479
  184   2HE   MET  24          2HE       MET  24   4.541   9.944   0.839
  185   3HE   MET  24          3HE       MET  24   5.686   9.422   2.069
  186    H    GLN  25           H        GLN  25   6.464   4.045   3.751
  187    HA   GLN  25           HA       GLN  25   8.308   6.236   3.471
  188   1HB   GLN  25          2HB       GLN  25   8.358   3.585   4.890
  189   2HB   GLN  25          1HB       GLN  25   9.863   4.487   4.725
  190   1HG   GLN  25          2HG       GLN  25   7.333   5.750   5.801
  191   2HG   GLN  25          1HG       GLN  25   8.500   4.937   6.845
  192   1HE2  GLN  25          1HE2      GLN  25  10.948   5.705   5.858
  193   2HE2  GLN  25          2HE2      GLN  25  11.114   7.394   5.887
  194    H    ALA  26           H        ALA  26   8.713   2.744   2.513
  195    HA   ALA  26           HA       ALA  26  11.110   3.138   1.092
  196   1HB   ALA  26          1HB       ALA  26   8.841   1.186   0.722
  197   2HB   ALA  26          2HB       ALA  26  10.403   0.914   1.493
  198   3HB   ALA  26          3HB       ALA  26  10.309   1.117  -0.245
  199    H    ALA  27           H        ALA  27   7.792   3.870   0.089
  200    HA   ALA  27           HA       ALA  27   8.252   4.091  -2.689
  201   1HB   ALA  27          1HB       ALA  27   5.988   4.258  -2.298
  202   2HB   ALA  27          2HB       ALA  27   6.327   5.985  -2.205
  203   3HB   ALA  27          3HB       ALA  27   6.232   5.028  -0.736
  204    H    VAL  28           H        VAL  28   9.142   6.112  -0.027
  205    HA   VAL  28           HA       VAL  28   9.706   8.451  -1.730
  206    HB   VAL  28           HB       VAL  28  10.340   7.924   1.188
  207   1HG1  VAL  28          1HG1      VAL  28  11.845   9.598   0.382
  208   2HG1  VAL  28          2HG1      VAL  28  10.538  10.469   1.181
  209   3HG1  VAL  28          3HG1      VAL  28  10.584  10.370  -0.571
  210   1HG2  VAL  28          1HG2      VAL  28   8.203   9.719   0.020
  211   2HG2  VAL  28          2HG2      VAL  28   8.382   9.194   1.690
  212   3HG2  VAL  28          3HG2      VAL  28   7.885   8.039   0.455
  213    H    SER  29           H        SER  29  11.384   5.679  -0.469
  214    HA   SER  29           HA       SER  29  14.059   6.774  -0.781
  215   1HB   SER  29          2HB       SER  29  14.505   4.903   0.431
  216   2HB   SER  29          1HB       SER  29  12.838   4.393   0.209
  217    HG   SER  29           HG       SER  29  15.080   3.856  -1.422
  218    H    ASN  30           H        ASN  30  11.737   5.128  -2.797
  219    HA   ASN  30           HA       ASN  30  13.707   5.005  -5.048
  220   1HB   ASN  30          2HB       ASN  30  11.169   3.513  -4.387
  221   2HB   ASN  30          1HB       ASN  30  11.804   3.547  -6.025
  222   1HD2  ASN  30          1HD2      ASN  30  12.862   2.830  -2.668
  223   2HD2  ASN  30          2HD2      ASN  30  13.961   1.612  -3.105
  224    H    GLY  31           H        GLY  31  11.282   6.862  -3.693
  225   1HA   GLY  31          2HA       GLY  31  10.047   8.687  -4.550
  226   2HA   GLY  31          1HA       GLY  31  11.087   8.613  -5.975
  227    H    ILE  32           H        ILE  32   8.322   6.922  -4.486
  228    HA   ILE  32           HA       ILE  32   7.289   6.335  -7.256
  229    HB   ILE  32           HB       ILE  32   7.108   4.717  -4.711
  230   1HG1  ILE  32          2HG1      ILE  32   8.461   4.060  -7.338
  231   2HG1  ILE  32          1HG1      ILE  32   9.309   4.777  -5.965
  232   1HG2  ILE  32          1HG2      ILE  32   5.953   4.271  -7.475
  233   2HG2  ILE  32          2HG2      ILE  32   5.078   4.363  -5.943
  234   3HG2  ILE  32          3HG2      ILE  32   6.122   2.982  -6.278
  235   1HD1  ILE  32          1HD1      ILE  32   9.639   2.438  -5.754
  236   2HD1  ILE  32          2HD1      ILE  32   7.953   2.083  -6.107
  237   3HD1  ILE  32          3HD1      ILE  32   8.397   2.840  -4.587
  238    H    TYR  33           H        TYR  33   6.102   6.405  -3.874
  239    HA   TYR  33           HA       TYR  33   3.502   7.432  -4.884
  240   1HB   TYR  33          2HB       TYR  33   4.120   5.562  -2.893
  241   2HB   TYR  33          1HB       TYR  33   3.706   6.998  -1.962
  242    HD1  TYR  33           1HD      TYR  33   2.399   4.201  -3.763
  243    HD2  TYR  33           2HD      TYR  33   1.539   8.269  -2.686
  244    HE1  TYR  33           1HE      TYR  33  -0.003   3.820  -4.242
  245    HE2  TYR  33           2HE      TYR  33  -0.863   7.885  -3.163
  246    HH   TYR  33           HH       TYR  33  -2.035   5.571  -4.951
  247    H    ASP  34           H        ASP  34   6.399   8.500  -3.471
  248    HA   ASP  34           HA       ASP  34   5.893  10.561  -1.749
  249   1HB   ASP  34          2HB       ASP  34   7.749  11.821  -2.784
  250   2HB   ASP  34          1HB       ASP  34   8.133  10.102  -2.682
  251    H    ILE  35           H        ILE  35   5.381  10.728  -5.249
  252    HA   ILE  35           HA       ILE  35   4.598  13.351  -5.658
  253    HB   ILE  35           HB       ILE  35   4.514  11.597  -7.424
  254   1HG1  ILE  35          2HG1      ILE  35   1.828  12.971  -7.139
  255   2HG1  ILE  35          1HG1      ILE  35   3.301  13.827  -7.600
  256   1HG2  ILE  35          1HG2      ILE  35   1.792  10.837  -6.356
  257   2HG2  ILE  35          2HG2      ILE  35   3.245   9.983  -5.835
  258   3HG2  ILE  35          3HG2      ILE  35   2.786   9.990  -7.533
  259   1HD1  ILE  35          1HD1      ILE  35   2.171  11.431  -9.070
  260   2HD1  ILE  35          2HD1      ILE  35   3.576  12.384  -9.551
  261   3HD1  ILE  35          3HD1      ILE  35   1.968  13.108  -9.573
  262    H    VAL  36           H        VAL  36   3.186  14.665  -4.628
  263    HA   VAL  36           HA       VAL  36   1.432  15.381  -3.259
  264    HB   VAL  36           HB       VAL  36   0.087  12.927  -4.429
  265   1HG1  VAL  36          1HG1      VAL  36  -1.998  14.275  -3.813
  266   2HG1  VAL  36          2HG1      VAL  36  -0.942  15.253  -2.793
  267   3HG1  VAL  36          3HG1      VAL  36  -1.134  13.529  -2.470
  268   1HG2  VAL  36          1HG2      VAL  36  -0.260  15.840  -5.173
  269   2HG2  VAL  36          2HG2      VAL  36  -0.811  14.420  -6.066
  270   3HG2  VAL  36          3HG2      VAL  36   0.911  14.796  -5.981
  271    H    GLY  37           H        GLY  37   0.271  14.853  -1.238
  272   1HA   GLY  37          2HA       GLY  37   0.428  12.370   0.117
  273   2HA   GLY  37          1HA       GLY  37   1.861  13.305   0.554
  274    H    ASP  38           H        ASP  38  -1.388  12.781   1.347
  275    HA   ASP  38           HA       ASP  38  -1.847  15.499   2.405
  276   1HB   ASP  38          2HB       ASP  38  -3.483  12.964   2.331
  277   2HB   ASP  38          1HB       ASP  38  -3.988  14.352   3.296
  278    H    CYS  39           H        CYS  39  -2.642  12.534   4.166
  279    HA   CYS  39           HA       CYS  39  -1.814  13.662   6.672
  280   1HB   CYS  39          2HB       CYS  39  -2.434  11.597   7.634
  281   2HB   CYS  39          1HB       CYS  39  -3.491  11.750   6.239
  282    H    GLY  40           H        GLY  40   0.197  13.025   4.259
  283   1HA   GLY  40          2HA       GLY  40   2.473  12.459   4.118
  284   2HA   GLY  40          1HA       GLY  40   2.550  12.928   5.817
  285    H    GLY  41           H        GLY  41   0.243  10.541   5.416
  286   1HA   GLY  41          2HA       GLY  41   0.462   8.139   5.384
  287   2HA   GLY  41          1HA       GLY  41   2.162   8.292   5.815
  288    H    SER  42           H        SER  42  -1.131   8.504   7.050
  289    HA   SER  42           HA       SER  42  -0.240   7.624   9.682
  290   1HB   SER  42          2HB       SER  42  -1.668  10.285   9.531
  291   2HB   SER  42          1HB       SER  42  -0.917   9.538  10.933
  292    HG   SER  42           HG       SER  42   0.256  11.268   9.663
  293    H    ALA  43           H        ALA  43  -2.106   6.838   7.472
  294    HA   ALA  43           HA       ALA  43  -4.313   6.064   7.209
  295   1HB   ALA  43          1HB       ALA  43  -3.729   5.731  10.150
  296   2HB   ALA  43          2HB       ALA  43  -3.857   4.493   8.903
  297   3HB   ALA  43          3HB       ALA  43  -5.310   5.291   9.504
  298    H    SER  44           H        SER  44  -4.646   8.546   6.733
  299    HA   SER  44           HA       SER  44  -7.054   9.337   8.208
  300   1HB   SER  44          2HB       SER  44  -4.784  11.326   8.157
  301   2HB   SER  44          1HB       SER  44  -6.275  11.387   9.093
  302    HG   SER  44           HG       SER  44  -3.982   9.790   9.456
  303    H    CYS  45           H        CYS  45  -5.805   8.819   5.379
  304    HA   CYS  45           HA       CYS  45  -7.434  10.876   4.067
  305   1HB   CYS  45          2HB       CYS  45  -5.773  12.035   2.917
  306   2HB   CYS  45          1HB       CYS  45  -4.973  11.754   4.457
  307    H    ALA  46           H        ALA  46  -7.649  10.445   1.735
  308    HA   ALA  46           HA       ALA  46  -7.460   7.528   1.176
  309   1HB   ALA  46          1HB       ALA  46  -9.625   8.257   0.656
  310   2HB   ALA  46          2HB       ALA  46  -8.836   8.395  -0.916
  311   3HB   ALA  46          3HB       ALA  46  -9.066   9.828   0.083
  312    H    THR  47           H        THR  47  -5.268   9.763   1.003
  313    HA   THR  47           HA       THR  47  -4.610  10.053  -1.763
  314    HB   THR  47           HB       THR  47  -2.595  10.034   0.481
  315    HG1  THR  47           1HG      THR  47  -3.297  12.433   0.258
  316   1HG2  THR  47          1HG2      THR  47  -2.835  11.539  -2.130
  317   2HG2  THR  47          2HG2      THR  47  -1.679  10.260  -1.758
  318   3HG2  THR  47          3HG2      THR  47  -1.574  11.813  -0.930
  319    H    CYS  48           H        CYS  48  -3.190   7.814   0.686
  320    HA   CYS  48           HA       CYS  48  -1.833   6.353  -1.457
  321   1HB   CYS  48          2HB       CYS  48  -0.887   5.012   0.264
  322   2HB   CYS  48          1HB       CYS  48  -0.906   6.666   0.865
  323    H    HIS  49           H        HIS  49  -4.386   6.252  -2.179
  324    HA   HIS  49           HA       HIS  49  -5.823   3.940  -1.109
  325   1HB   HIS  49          2HB       HIS  49  -7.157   5.686  -2.081
  326   2HB   HIS  49          1HB       HIS  49  -6.140   5.756  -3.494
  327    HD1  HIS  49           1HD      HIS  49  -8.430   3.106  -1.870
  328    HD2  HIS  49           2HD      HIS  49  -7.201   4.462  -5.585
  329    HE1  HIS  49           1HE      HIS  49  -9.616   1.669  -3.631
  330    HE2  HIS  49           2HE      HIS  49  -8.828   2.477  -5.865
  331    H    VAL  50           H        VAL  50  -4.871   1.921  -1.487
  332    HA   VAL  50           HA       VAL  50  -4.221   1.258  -4.309
  333    HB   VAL  50           HB       VAL  50  -2.017   0.628  -3.961
  334   1HG1  VAL  50          1HG1      VAL  50  -0.890   2.357  -2.656
  335   2HG1  VAL  50          2HG1      VAL  50  -2.395   2.742  -1.828
  336   3HG1  VAL  50          3HG1      VAL  50  -2.234   3.060  -3.551
  337   1HG2  VAL  50          1HG2      VAL  50  -2.240  -0.982  -2.224
  338   2HG2  VAL  50          2HG2      VAL  50  -2.784   0.234  -1.064
  339   3HG2  VAL  50          3HG2      VAL  50  -1.104   0.216  -1.600
  340    H    TYR  51           H        TYR  51  -3.926  -1.102  -4.592
  341    HA   TYR  51           HA       TYR  51  -5.713  -2.618  -2.730
  342   1HB   TYR  51          2HB       TYR  51  -5.129  -2.939  -5.668
  343   2HB   TYR  51          1HB       TYR  51  -6.191  -3.975  -4.757
  344    HD1  TYR  51           1HD      TYR  51  -7.905  -2.351  -3.165
  345    HD2  TYR  51           2HD      TYR  51  -6.219  -1.394  -7.016
  346    HE1  TYR  51           1HE      TYR  51  -9.669  -0.658  -3.527
  347    HE2  TYR  51           2HE      TYR  51  -8.012   0.257  -7.368
  348    HH   TYR  51           HH       TYR  51 -10.584   0.767  -5.013
  349    H    VAL  52           H        VAL  52  -4.541  -3.852  -1.460
  350    HA   VAL  52           HA       VAL  52  -1.920  -4.943  -2.260
  351    HB   VAL  52           HB       VAL  52  -3.440  -5.304   0.330
  352   1HG1  VAL  52          1HG1      VAL  52  -1.156  -5.908   1.194
  353   2HG1  VAL  52          2HG1      VAL  52  -0.585  -5.906  -0.465
  354   3HG1  VAL  52          3HG1      VAL  52  -1.812  -7.061   0.040
  355   1HG2  VAL  52          1HG2      VAL  52  -1.101  -3.466  -0.234
  356   2HG2  VAL  52          2HG2      VAL  52  -2.061  -3.554   1.235
  357   3HG2  VAL  52          3HG2      VAL  52  -2.780  -2.925  -0.237
  358    H    ASN  53           H        ASN  53  -1.621  -7.057  -2.939
  359    HA   ASN  53           HA       ASN  53  -3.721  -8.690  -3.766
  360   1HB   ASN  53          2HB       ASN  53  -2.004 -10.612  -3.331
  361   2HB   ASN  53          1HB       ASN  53  -1.612  -9.376  -4.513
  362   1HD2  ASN  53          1HD2      ASN  53  -1.527  -8.162  -1.316
  363   2HD2  ASN  53          2HD2      ASN  53   0.152  -8.229  -1.086
  364    H    GLU  54           H        GLU  54  -5.271  -9.814  -2.667
  365    HA   GLU  54           HA       GLU  54  -5.632  -9.654   0.112
  366   1HB   GLU  54          2HB       GLU  54  -7.361 -11.331  -0.145
  367   2HB   GLU  54          1HB       GLU  54  -7.383 -10.279  -1.561
  368   1HG   GLU  54          2HG       GLU  54  -5.858 -11.985  -2.694
  369   2HG   GLU  54          1HG       GLU  54  -6.223 -13.064  -1.345
  370    H    ALA  55           H        ALA  55  -2.982 -11.043  -0.983
  371    HA   ALA  55           HA       ALA  55  -3.114 -13.504   0.678
  372   1HB   ALA  55          1HB       ALA  55  -2.169 -13.913  -1.474
  373   2HB   ALA  55          2HB       ALA  55  -0.818 -13.899  -0.343
  374   3HB   ALA  55          3HB       ALA  55  -1.128 -12.495  -1.361
  375    H    PHE  56           H        PHE  56  -1.895 -10.216   0.784
  376    HA   PHE  56           HA       PHE  56  -0.171 -10.933   3.121
  377   1HB   PHE  56          2HB       PHE  56  -0.060  -8.600   1.174
  378   2HB   PHE  56          1HB       PHE  56   1.002  -8.788   2.568
  379    HD1  PHE  56           1HD      PHE  56  -0.122 -10.559  -0.522
  380    HD2  PHE  56           2HD      PHE  56   2.999 -10.030   2.360
  381    HE1  PHE  56           1HE      PHE  56   1.351 -12.053  -1.841
  382    HE2  PHE  56           2HE      PHE  56   4.463 -11.530   1.057
  383    HZ   PHE  56           HZ       PHE  56   3.651 -12.538  -1.052
  384    H    THR  57           H        THR  57  -3.048  -9.525   2.111
  385    HA   THR  57           HA       THR  57  -3.270  -7.301   3.926
  386    HB   THR  57           HB       THR  57  -5.749  -7.603   3.532
  387    HG1  THR  57           1HG      THR  57  -6.392  -9.421   2.747
  388   1HG2  THR  57          1HG2      THR  57  -5.443  -7.425   0.917
  389   2HG2  THR  57          2HG2      THR  57  -3.729  -7.385   1.324
  390   3HG2  THR  57          3HG2      THR  57  -4.817  -6.155   1.971
  391    H    ASP  58           H        ASP  58  -4.280 -10.692   4.093
  392    HA   ASP  58           HA       ASP  58  -5.218 -10.341   6.877
  393   1HB   ASP  58          2HB       ASP  58  -6.146 -12.541   6.675
  394   2HB   ASP  58          1HB       ASP  58  -6.441 -11.748   5.126
  395    H    LYS  59           H        LYS  59  -2.308 -10.287   5.901
  396    HA   LYS  59           HA       LYS  59  -1.258 -12.250   7.920
  397   1HB   LYS  59          2HB       LYS  59   0.154 -11.452   5.386
  398   2HB   LYS  59          1HB       LYS  59   0.488 -12.835   6.426
  399   1HG   LYS  59          2HG       LYS  59  -2.024 -13.489   5.807
  400   2HG   LYS  59          1HG       LYS  59  -1.728 -12.439   4.415
  401   1HD   LYS  59          2HD       LYS  59  -1.116 -14.613   3.673
  402   2HD   LYS  59          1HD       LYS  59   0.414 -13.833   4.049
  403   1HE   LYS  59          2HE       LYS  59  -0.261 -14.995   6.491
  404   2HE   LYS  59          1HE       LYS  59  -0.851 -16.176   5.328
  405   1HZ   LYS  59          1HZ       LYS  59   1.608 -16.230   6.110
  406   2HZ   LYS  59          2HZ       LYS  59   1.818 -15.010   4.946
  407   3HZ   LYS  59          3HZ       LYS  59   1.230 -16.536   4.487
  408    H    VAL  60           H        VAL  60  -0.752  -9.225   6.133
  409    HA   VAL  60           HA       VAL  60   1.354  -8.361   7.982
  410    HB   VAL  60           HB       VAL  60   0.688  -7.811   5.355
  411   1HG1  VAL  60          1HG1      VAL  60  -0.143  -5.356   6.907
  412   2HG1  VAL  60          2HG1      VAL  60  -1.168  -6.377   5.909
  413   3HG1  VAL  60          3HG1      VAL  60   0.115  -5.430   5.171
  414   1HG2  VAL  60          1HG2      VAL  60   2.750  -6.902   7.200
  415   2HG2  VAL  60          2HG2      VAL  60   2.342  -5.636   6.049
  416   3HG2  VAL  60          3HG2      VAL  60   2.855  -7.218   5.469
  417    HA   PRO  61           HA       PRO  61  -1.191  -6.506  11.003
  418   1HB   PRO  61          2HB       PRO  61  -0.445  -3.729  10.982
  419   2HB   PRO  61          1HB       PRO  61   0.130  -5.007  12.062
  420   1HG   PRO  61          2HG       PRO  61   1.524  -3.741   9.883
  421   2HG   PRO  61          1HG       PRO  61   2.136  -4.925  11.042
  422   1HD   PRO  61          2HD       PRO  61   1.538  -5.346   8.287
  423   2HD   PRO  61          1HD       PRO  61   2.069  -6.567   9.443
  424    H    ALA  62           H        ALA  62  -3.218  -6.685  10.167
  425    HA   ALA  62           HA       ALA  62  -4.410  -4.777   8.333
  426   1HB   ALA  62          1HB       ALA  62  -6.419  -6.064   8.589
  427   2HB   ALA  62          2HB       ALA  62  -5.873  -6.739  10.126
  428   3HB   ALA  62          3HB       ALA  62  -5.103  -7.238   8.624
  429    H    ALA  63           H        ALA  63  -4.387  -2.756   9.248
  430    HA   ALA  63           HA       ALA  63  -4.521  -1.956  11.857
  431   1HB   ALA  63          1HB       ALA  63  -4.166  -0.570   9.779
  432   2HB   ALA  63          2HB       ALA  63  -5.160   0.187  11.027
  433   3HB   ALA  63          3HB       ALA  63  -5.920  -0.527   9.597
  434    H    ASN  64           H        ASN  64  -6.094  -1.197  13.221
  435    HA   ASN  64           HA       ASN  64  -8.463  -2.749  13.552
  436   1HB   ASN  64          2HB       ASN  64  -9.082  -0.796  15.178
  437   2HB   ASN  64          1HB       ASN  64  -7.653  -1.771  15.522
  438   1HD2  ASN  64          1HD2      ASN  64  -6.685   0.097  16.662
  439   2HD2  ASN  64          2HD2      ASN  64  -6.021   1.386  15.777
  440    H    GLU  65           H        GLU  65 -10.577  -1.153  14.095
  441    HA   GLU  65           HA       GLU  65 -11.732  -0.641  11.524
  442   1HB   GLU  65          2HB       GLU  65 -13.664   0.195  12.801
  443   2HB   GLU  65          1HB       GLU  65 -13.058  -1.322  13.469
  444   1HG   GLU  65          2HG       GLU  65 -11.623   0.173  15.033
  445   2HG   GLU  65          1HG       GLU  65 -12.707   1.476  14.550
  446    H    ARG  66           H        ARG  66  -9.564   1.332  13.186
  447    HA   ARG  66           HA       ARG  66 -10.753   3.911  12.773
  448   1HB   ARG  66          2HB       ARG  66  -7.942   2.900  13.144
  449   2HB   ARG  66          1HB       ARG  66  -8.172   4.554  12.603
  450   1HG   ARG  66          2HG       ARG  66  -8.024   4.604  15.002
  451   2HG   ARG  66          1HG       ARG  66  -9.697   4.933  14.565
  452   1HD   ARG  66          2HD       ARG  66 -10.453   3.000  15.545
  453   2HD   ARG  66          1HD       ARG  66  -9.080   2.056  14.982
  454    HE   ARG  66           HE       ARG  66  -8.209   3.860  17.034
  455   1HH1  ARG  66          1HH2      ARG  66 -10.061   1.019  16.441
  456   2HH1  ARG  66          2HH2      ARG  66  -9.805   0.357  18.028
  457   1HH2  ARG  66          1HH1      ARG  66  -7.864   3.023  19.118
  458   2HH2  ARG  66          2HH1      ARG  66  -8.562   1.493  19.533
  459    H    GLU  67           H        GLU  67  -8.699   1.871  10.730
  460    HA   GLU  67           HA       GLU  67  -8.636   3.736   8.501
  461   1HB   GLU  67          2HB       GLU  67  -7.915   0.816   8.799
  462   2HB   GLU  67          1HB       GLU  67  -7.776   1.677   7.268
  463   1HG   GLU  67          2HG       GLU  67  -5.631   1.698   8.437
  464   2HG   GLU  67          1HG       GLU  67  -6.284   3.334   8.352
  465    H    ILE  68           H        ILE  68 -10.350   0.683   9.152
  466    HA   ILE  68           HA       ILE  68 -11.757   0.333   6.792
  467    HB   ILE  68           HB       ILE  68 -12.975   0.056   9.555
  468   1HG1  ILE  68          2HG1      ILE  68 -11.257  -1.830   7.907
  469   2HG1  ILE  68          1HG1      ILE  68 -10.803  -1.075   9.431
  470   1HG2  ILE  68          1HG2      ILE  68 -14.545  -0.149   7.600
  471   2HG2  ILE  68          2HG2      ILE  68 -14.383  -1.642   8.510
  472   3HG2  ILE  68          3HG2      ILE  68 -13.534  -1.452   6.973
  473   1HD1  ILE  68          1HD1      ILE  68 -12.964  -2.249  10.355
  474   2HD1  ILE  68          2HD1      ILE  68 -11.498  -3.202  10.123
  475   3HD1  ILE  68          3HD1      ILE  68 -12.793  -3.274   8.925
  476    H    GLY  69           H        GLY  69 -12.101   2.968   9.026
  477   1HA   GLY  69          2HA       GLY  69 -14.725   3.797   8.017
  478   2HA   GLY  69          1HA       GLY  69 -13.695   4.728   9.101
  479    H    MET  70           H        MET  70 -11.794   5.842   8.093
  480    HA   MET  70           HA       MET  70 -12.423   7.438   5.892
  481   1HB   MET  70          2HB       MET  70  -9.989   7.836   5.664
  482   2HB   MET  70          1HB       MET  70 -10.477   7.858   7.353
  483   1HG   MET  70          2HG       MET  70  -9.865   5.334   7.345
  484   2HG   MET  70          1HG       MET  70  -9.003   5.696   5.853
  485   1HE   MET  70          1HE       MET  70  -8.315   5.592   9.815
  486   2HE   MET  70          2HE       MET  70  -9.745   6.511   9.346
  487   3HE   MET  70          3HE       MET  70  -8.359   7.346  10.039
  488    H    LEU  71           H        LEU  71 -10.923   4.237   5.940
  489    HA   LEU  71           HA       LEU  71 -10.243   4.030   3.189
  490   1HB   LEU  71          2HB       LEU  71  -9.560   2.406   4.936
  491   2HB   LEU  71          1HB       LEU  71 -11.227   1.913   5.141
  492    HG   LEU  71           HG       LEU  71  -9.627   0.432   3.708
  493   1HD1  LEU  71          1HD1      LEU  71 -12.205   0.317   3.889
  494   2HD1  LEU  71          2HD1      LEU  71 -11.423  -0.471   2.532
  495   3HD1  LEU  71          3HD1      LEU  71 -12.202   1.088   2.310
  496   1HD2  LEU  71          1HD2      LEU  71  -8.855   2.399   2.297
  497   2HD2  LEU  71          2HD2      LEU  71 -10.444   2.387   1.546
  498   3HD2  LEU  71          3HD2      LEU  71  -9.392   0.996   1.386
  499    H    GLU  72           H        GLU  72 -13.295   3.806   4.904
  500    HA   GLU  72           HA       GLU  72 -14.782   2.848   2.564
  501   1HB   GLU  72          2HB       GLU  72 -15.442   2.311   4.920
  502   2HB   GLU  72          1HB       GLU  72 -15.792   4.018   5.183
  503   1HG   GLU  72          2HG       GLU  72 -17.669   3.993   3.782
  504   2HG   GLU  72          1HG       GLU  72 -17.094   2.604   2.859
  505    H    CYS  73           H        CYS  73 -13.221   5.588   2.859
  506    HA   CYS  73           HA       CYS  73 -15.421   7.285   1.710
  507   1HB   CYS  73          2HB       CYS  73 -13.837   7.718   4.058
  508   2HB   CYS  73          1HB       CYS  73 -13.334   8.918   2.880
  509    HG   CYS  73           HG       CYS  73 -15.724   9.277   4.449
  510    H    VAL  74           H        VAL  74 -13.627   5.592   0.170
  511    HA   VAL  74           HA       VAL  74 -11.786   7.575  -1.110
  512    HB   VAL  74           HB       VAL  74 -11.673   4.940  -2.334
  513   1HG1  VAL  74          1HG1      VAL  74  -9.361   5.115  -1.857
  514   2HG1  VAL  74          2HG1      VAL  74  -9.635   6.248  -0.539
  515   3HG1  VAL  74          3HG1      VAL  74  -9.909   6.756  -2.205
  516   1HG2  VAL  74          1HG2      VAL  74 -12.499   3.997  -0.258
  517   2HG2  VAL  74          2HG2      VAL  74 -11.453   5.052   0.687
  518   3HG2  VAL  74          3HG2      VAL  74 -10.751   3.765  -0.282
  519    H    THR  75           H        THR  75 -11.739   7.206  -3.644
  520    HA   THR  75           HA       THR  75 -14.591   7.274  -4.595
  521    HB   THR  75           HB       THR  75 -12.282   8.765  -5.865
  522    HG1  THR  75           1HG      THR  75 -12.991   9.174  -3.479
  523   1HG2  THR  75          1HG2      THR  75 -15.307   8.998  -5.938
  524   2HG2  THR  75          2HG2      THR  75 -14.210   8.684  -7.282
  525   3HG2  THR  75          3HG2      THR  75 -14.239  10.272  -6.522
  526    H    ALA  76           H        ALA  76 -11.976   5.276  -4.734
  527    HA   ALA  76           HA       ALA  76 -12.264   4.699  -7.663
  528   1HB   ALA  76          1HB       ALA  76 -10.219   3.097  -6.755
  529   2HB   ALA  76          2HB       ALA  76 -10.110   4.469  -5.656
  530   3HB   ALA  76          3HB       ALA  76  -9.987   4.725  -7.382
  531    H    GLU  77           H        GLU  77 -12.117   2.212  -8.144
  532    HA   GLU  77           HA       GLU  77 -14.359   0.917  -7.062
  533   1HB   GLU  77          2HB       GLU  77 -13.894  -0.218  -8.982
  534   2HB   GLU  77          1HB       GLU  77 -12.281   0.465  -9.010
  535   1HG   GLU  77          2HG       GLU  77 -11.360  -1.407  -7.842
  536   2HG   GLU  77          1HG       GLU  77 -12.953  -1.981  -7.338
  537    H    LEU  78           H        LEU  78 -14.404   0.528  -4.810
  538    HA   LEU  78           HA       LEU  78 -11.989  -0.267  -3.424
  539   1HB   LEU  78          2HB       LEU  78 -14.747   0.420  -2.714
  540   2HB   LEU  78          1HB       LEU  78 -14.174  -0.949  -1.762
  541    HG   LEU  78           HG       LEU  78 -12.107   0.382  -1.216
  542   1HD1  LEU  78          1HD1      LEU  78 -12.707   1.962  -3.313
  543   2HD1  LEU  78          2HD1      LEU  78 -11.789   2.544  -1.942
  544   3HD1  LEU  78          3HD1      LEU  78 -13.514   2.893  -2.057
  545   1HD2  LEU  78          1HD2      LEU  78 -14.777   1.620  -0.472
  546   2HD2  LEU  78          2HD2      LEU  78 -13.264   1.843   0.397
  547   3HD2  LEU  78          3HD2      LEU  78 -14.008   0.246   0.321
  548    H    LYS  79           H        LYS  79 -11.349  -2.096  -2.716
  549    HA   LYS  79           HA       LYS  79 -12.430  -4.567  -3.948
  550   1HB   LYS  79          2HB       LYS  79  -9.807  -3.522  -2.954
  551   2HB   LYS  79          1HB       LYS  79 -10.009  -5.262  -3.096
  552   1HG   LYS  79          2HG       LYS  79 -10.648  -3.425  -5.404
  553   2HG   LYS  79          1HG       LYS  79  -9.002  -3.962  -5.111
  554   1HD   LYS  79          2HD       LYS  79  -9.831  -6.338  -5.151
  555   2HD   LYS  79          1HD       LYS  79 -11.405  -5.727  -5.649
  556   1HE   LYS  79          2HE       LYS  79 -10.458  -4.768  -7.666
  557   2HE   LYS  79          1HE       LYS  79  -8.825  -5.173  -7.139
  558   1HZ   LYS  79          1HZ       LYS  79 -10.968  -6.962  -8.070
  559   2HZ   LYS  79          2HZ       LYS  79  -9.761  -7.557  -7.035
  560   3HZ   LYS  79          3HZ       LYS  79  -9.340  -6.904  -8.548
  561    HA   PRO  80           HA       PRO  80 -13.698  -6.115   0.018
  562   1HB   PRO  80          2HB       PRO  80 -12.297  -8.589   0.050
  563   2HB   PRO  80          1HB       PRO  80 -13.940  -8.327  -0.558
  564   1HG   PRO  80          2HG       PRO  80 -11.374  -8.533  -2.044
  565   2HG   PRO  80          1HG       PRO  80 -13.012  -8.977  -2.551
  566   1HD   PRO  80          2HD       PRO  80 -11.765  -6.750  -3.487
  567   2HD   PRO  80          1HD       PRO  80 -13.528  -6.814  -3.256
  568    H    ASN  81           H        ASN  81 -10.418  -5.741  -0.874
  569    HA   ASN  81           HA       ASN  81  -9.605  -5.518   2.000
  570   1HB   ASN  81          2HB       ASN  81  -7.572  -6.632   1.600
  571   2HB   ASN  81          1HB       ASN  81  -8.745  -7.593   0.698
  572   1HD2  ASN  81          1HD2      ASN  81  -8.853  -7.179  -1.704
  573   2HD2  ASN  81          2HD2      ASN  81  -7.476  -6.604  -2.508
  574    H    SER  82           H        SER  82 -10.439  -3.208   0.313
  575    HA   SER  82           HA       SER  82  -8.092  -1.936  -0.736
  576   1HB   SER  82          2HB       SER  82 -10.625  -0.672   0.343
  577   2HB   SER  82          1HB       SER  82  -9.464   0.079  -0.741
  578    HG   SER  82           HG       SER  82 -10.838  -0.692  -2.147
  579    H    ARG  83           H        ARG  83  -6.807  -0.290   0.384
  580    HA   ARG  83           HA       ARG  83  -7.387   0.346   3.147
  581   1HB   ARG  83          2HB       ARG  83  -5.922  -2.079   2.604
  582   2HB   ARG  83          1HB       ARG  83  -4.813  -0.953   3.357
  583   1HG   ARG  83          2HG       ARG  83  -7.342  -0.938   4.839
  584   2HG   ARG  83          1HG       ARG  83  -6.788  -2.589   4.644
  585   1HD   ARG  83          2HD       ARG  83  -4.901  -0.427   5.597
  586   2HD   ARG  83          1HD       ARG  83  -5.961  -1.284   6.713
  587    HE   ARG  83           HE       ARG  83  -4.536  -3.158   5.073
  588   1HH1  ARG  83          1HH2      ARG  83  -4.190  -0.973   7.718
  589   2HH1  ARG  83          2HH2      ARG  83  -2.923  -1.886   8.467
  590   1HH2  ARG  83          1HH1      ARG  83  -2.885  -4.352   6.032
  591   2HH2  ARG  83          2HH1      ARG  83  -2.181  -3.783   7.506
  592    H    LEU  84           H        LEU  84  -5.518   1.530   4.165
  593    HA   LEU  84           HA       LEU  84  -4.459   3.448   2.202
  594   1HB   LEU  84          2HB       LEU  84  -4.093   3.399   5.217
  595   2HB   LEU  84          1HB       LEU  84  -3.876   4.775   4.153
  596    HG   LEU  84           HG       LEU  84  -6.003   5.089   5.182
  597   1HD1  LEU  84          1HD1      LEU  84  -7.424   5.274   3.312
  598   2HD1  LEU  84          2HD1      LEU  84  -6.742   3.843   2.540
  599   3HD1  LEU  84          3HD1      LEU  84  -5.798   5.332   2.627
  600   1HD2  LEU  84          1HD2      LEU  84  -7.521   3.451   5.715
  601   2HD2  LEU  84          2HD2      LEU  84  -6.121   2.397   5.594
  602   3HD2  LEU  84          3HD2      LEU  84  -7.238   2.534   4.239
  603    H    CYS  85           H        CYS  85  -2.479   3.087   1.304
  604    HA   CYS  85           HA       CYS  85  -0.811   0.923   1.981
  605   1HB   CYS  85          2HB       CYS  85  -0.855   2.665  -0.084
  606   2HB   CYS  85          1HB       CYS  85   0.545   3.289   0.777
  607    HG   CYS  85           HG       CYS  85   1.845   1.342   0.000
  608    H    CYS  86           H        CYS  86  -0.531   4.323   3.084
  609    HA   CYS  86           HA       CYS  86   1.979   3.983   4.351
  610   1HB   CYS  86          2HB       CYS  86   1.425   5.960   5.661
  611   2HB   CYS  86          1HB       CYS  86   0.907   6.180   3.991
  612    H    GLN  87           H        GLN  87  -1.168   2.861   5.369
  613    HA   GLN  87           HA       GLN  87  -0.198   2.455   8.141
  614   1HB   GLN  87          2HB       GLN  87  -2.622   3.141   7.427
  615   2HB   GLN  87          1HB       GLN  87  -2.836   1.418   7.120
  616   1HG   GLN  87          2HG       GLN  87  -3.523   1.774   9.391
  617   2HG   GLN  87          1HG       GLN  87  -1.936   1.014   9.475
  618   1HE2  GLN  87          1HE2      GLN  87  -1.456   4.139   8.345
  619   2HE2  GLN  87          2HE2      GLN  87  -1.122   4.905   9.821
  620    H    ILE  88           H        ILE  88   1.129   0.952   5.983
  621    HA   ILE  88           HA       ILE  88   0.553  -1.814   6.989
  622    HB   ILE  88           HB       ILE  88   0.924  -0.865   4.139
  623   1HG1  ILE  88          2HG1      ILE  88  -0.993  -2.861   5.369
  624   2HG1  ILE  88          1HG1      ILE  88  -1.353  -1.143   5.205
  625   1HG2  ILE  88          1HG2      ILE  88   1.526  -3.576   5.324
  626   2HG2  ILE  88          2HG2      ILE  88   2.517  -2.620   4.223
  627   3HG2  ILE  88          3HG2      ILE  88   1.049  -3.398   3.634
  628   1HD1  ILE  88          1HD1      ILE  88  -0.558  -2.899   2.877
  629   2HD1  ILE  88          2HD1      ILE  88  -1.206  -1.258   2.816
  630   3HD1  ILE  88          3HD1      ILE  88  -2.235  -2.593   3.333
  631    H    ILE  89           H        ILE  89   2.425  -3.055   7.360
  632    HA   ILE  89           HA       ILE  89   5.057  -1.641   7.037
  633    HB   ILE  89           HB       ILE  89   3.816  -3.082   9.372
  634   1HG1  ILE  89          2HG1      ILE  89   4.976  -1.303  10.636
  635   2HG1  ILE  89          1HG1      ILE  89   5.719  -0.730   9.142
  636   1HG2  ILE  89          1HG2      ILE  89   6.778  -3.123   8.724
  637   2HG2  ILE  89          2HG2      ILE  89   5.735  -4.491   9.114
  638   3HG2  ILE  89          3HG2      ILE  89   6.156  -3.320  10.357
  639   1HD1  ILE  89          1HD1      ILE  89   3.791   0.259   8.401
  640   2HD1  ILE  89          2HD1      ILE  89   3.420   0.295  10.128
  641   3HD1  ILE  89          3HD1      ILE  89   2.747  -0.978   9.105
  642    H    MET  90           H        MET  90   6.655  -2.820   6.049
  643    HA   MET  90           HA       MET  90   5.940  -5.432   4.938
  644   1HB   MET  90          2HB       MET  90   7.510  -3.387   4.041
  645   2HB   MET  90          1HB       MET  90   8.753  -4.441   4.705
  646   1HG   MET  90          2HG       MET  90   6.795  -5.000   2.489
  647   2HG   MET  90          1HG       MET  90   8.537  -5.174   2.480
  648   1HE   MET  90          1HE       MET  90   5.979  -7.694   1.846
  649   2HE   MET  90          2HE       MET  90   5.236  -6.523   2.940
  650   3HE   MET  90          3HE       MET  90   5.420  -8.184   3.439
  651    H    THR  91           H        THR  91   6.886  -7.410   5.506
  652    HA   THR  91           HA       THR  91   8.752  -7.456   7.852
  653    HB   THR  91           HB       THR  91   7.446  -8.949   9.030
  654    HG1  THR  91           1HG      THR  91   5.934 -10.342   7.698
  655   1HG2  THR  91          1HG2      THR  91   5.124  -8.445   8.899
  656   2HG2  THR  91          2HG2      THR  91   5.235  -8.048   7.181
  657   3HG2  THR  91          3HG2      THR  91   5.959  -6.978   8.387
  658    HA   PRO  92           HA       PRO  92  11.097 -10.018   5.137
  659   1HB   PRO  92          2HB       PRO  92  12.348 -11.715   6.920
  660   2HB   PRO  92          1HB       PRO  92  12.828 -10.026   6.677
  661   1HG   PRO  92          2HG       PRO  92  11.160 -11.238   8.839
  662   2HG   PRO  92          1HG       PRO  92  12.390  -9.964   8.941
  663   1HD   PRO  92          2HD       PRO  92   9.713  -9.420   8.951
  664   2HD   PRO  92          1HD       PRO  92  10.913  -8.297   8.277
  665    H    GLU  93           H        GLU  93   9.127 -11.652   7.585
  666    HA   GLU  93           HA       GLU  93   9.133 -14.222   6.264
  667   1HB   GLU  93          2HB       GLU  93   7.144 -14.679   7.719
  668   2HB   GLU  93          1HB       GLU  93   8.550 -14.100   8.606
  669   1HG   GLU  93          2HG       GLU  93   7.631 -11.852   8.698
  670   2HG   GLU  93          1HG       GLU  93   6.280 -12.326   7.671
  671    H    LEU  94           H        LEU  94   7.358 -11.275   5.794
  672    HA   LEU  94           HA       LEU  94   5.437 -12.670   3.987
  673   1HB   LEU  94          2HB       LEU  94   5.304 -10.203   5.639
  674   2HB   LEU  94          1HB       LEU  94   4.512 -10.073   4.094
  675    HG   LEU  94           HG       LEU  94   4.004 -12.347   6.024
  676   1HD1  LEU  94          1HD1      LEU  94   2.107 -11.204   6.845
  677   2HD1  LEU  94          2HD1      LEU  94   2.144 -10.016   5.546
  678   3HD1  LEU  94          3HD1      LEU  94   3.358  -9.964   6.828
  679   1HD2  LEU  94          1HD2      LEU  94   2.590 -13.174   4.442
  680   2HD2  LEU  94          2HD2      LEU  94   3.422 -12.136   3.293
  681   3HD2  LEU  94          3HD2      LEU  94   1.938 -11.592   4.048
  682    H    ASP  95           H        ASP  95   8.261 -12.088   3.241
  683    HA   ASP  95           HA       ASP  95   8.334  -9.835   1.492
  684   1HB   ASP  95          2HB       ASP  95  10.255 -11.031   0.405
  685   2HB   ASP  95          1HB       ASP  95  10.397 -10.938   2.162
  686    H    GLY  96           H        GLY  96   7.903  -9.656  -0.735
  687   1HA   GLY  96          2HA       GLY  96   7.371 -10.614  -2.905
  688   2HA   GLY  96          1HA       GLY  96   6.638 -11.994  -2.096
  689    H    ILE  97           H        ILE  97   5.846  -9.041  -0.590
  690    HA   ILE  97           HA       ILE  97   3.061  -9.367  -1.144
  691    HB   ILE  97           HB       ILE  97   3.848  -8.173   0.840
  692   1HG1  ILE  97          2HG1      ILE  97   2.301  -6.285  -0.953
  693   2HG1  ILE  97          1HG1      ILE  97   1.592  -7.690  -0.165
  694   1HG2  ILE  97          1HG2      ILE  97   4.871  -5.993   0.700
  695   2HG2  ILE  97          2HG2      ILE  97   4.616  -5.920  -1.033
  696   3HG2  ILE  97          3HG2      ILE  97   5.778  -7.064  -0.361
  697   1HD1  ILE  97          1HD1      ILE  97   1.203  -5.689   1.188
  698   2HD1  ILE  97          2HD1      ILE  97   2.935  -5.361   1.217
  699   3HD1  ILE  97          3HD1      ILE  97   2.292  -6.790   2.025
  700    H    VAL  98           H        VAL  98   1.805  -8.762  -2.822
  701    HA   VAL  98           HA       VAL  98   3.013  -6.991  -4.928
  702    HB   VAL  98           HB       VAL  98   0.510  -8.674  -5.180
  703   1HG1  VAL  98          1HG1      VAL  98   2.519  -7.747  -7.250
  704   2HG1  VAL  98          2HG1      VAL  98   1.044  -6.862  -6.860
  705   3HG1  VAL  98          3HG1      VAL  98   0.943  -8.483  -7.547
  706   1HG2  VAL  98          1HG2      VAL  98   2.020 -10.379  -6.247
  707   2HG2  VAL  98          2HG2      VAL  98   2.294 -10.194  -4.515
  708   3HG2  VAL  98          3HG2      VAL  98   3.404  -9.452  -5.667
  709    H    VAL  99           H        VAL  99   2.251  -4.886  -5.017
  710    HA   VAL  99           HA       VAL  99  -0.359  -4.267  -3.720
  711    HB   VAL  99           HB       VAL  99   1.759  -2.253  -4.456
  712   1HG1  VAL  99          1HG1      VAL  99   0.869  -1.162  -2.387
  713   2HG1  VAL  99          2HG1      VAL  99  -0.278  -2.492  -2.215
  714   3HG1  VAL  99          3HG1      VAL  99  -0.374  -1.419  -3.610
  715   1HG2  VAL  99          1HG2      VAL  99   2.708  -2.619  -2.134
  716   2HG2  VAL  99          2HG2      VAL  99   3.063  -3.894  -3.294
  717   3HG2  VAL  99          3HG2      VAL  99   1.806  -4.133  -2.078
  718    H    ASP 100           H        ASP 100  -1.923  -3.389  -4.959
  719    HA   ASP 100           HA       ASP 100  -1.301  -2.758  -7.812
  720   1HB   ASP 100          2HB       ASP 100  -3.501  -4.154  -6.449
  721   2HB   ASP 100          1HB       ASP 100  -4.049  -2.997  -7.672
  722    H    VAL 101           H        VAL 101  -1.319  -0.709  -8.354
  723    HA   VAL 101           HA       VAL 101  -2.713   1.281  -6.623
  724    HB   VAL 101           HB       VAL 101  -0.472   1.728  -8.606
  725   1HG1  VAL 101          1HG1      VAL 101  -0.264   3.886  -7.366
  726   2HG1  VAL 101          2HG1      VAL 101  -1.715   3.467  -6.453
  727   3HG1  VAL 101          3HG1      VAL 101  -1.811   3.724  -8.199
  728   1HG2  VAL 101          1HG2      VAL 101   0.924   1.971  -6.529
  729   2HG2  VAL 101          2HG2      VAL 101   0.331   0.330  -6.788
  730   3HG2  VAL 101          3HG2      VAL 101  -0.445   1.374  -5.595
  731    HA   PRO 102           HA       PRO 102  -5.221   1.733 -10.414
  732   1HB   PRO 102          2HB       PRO 102  -7.261   3.122  -9.408
  733   2HB   PRO 102          1HB       PRO 102  -6.958   1.468  -8.858
  734   1HG   PRO 102          2HG       PRO 102  -6.190   4.020  -7.546
  735   2HG   PRO 102          1HG       PRO 102  -6.983   2.585  -6.860
  736   1HD   PRO 102          2HD       PRO 102  -4.268   3.056  -6.662
  737   2HD   PRO 102          1HD       PRO 102  -4.996   1.431  -6.631
  738    H    ASP 103           H        ASP 103  -6.450   3.726 -11.406
  739    HA   ASP 103           HA       ASP 103  -4.499   5.923 -11.684
  740   1HB   ASP 103          2HB       ASP 103  -5.636   4.923 -13.683
  741   2HB   ASP 103          1HB       ASP 103  -7.172   5.534 -13.066
  742    H    ARG 104           H        ARG 104  -7.470   5.233 -10.022
  743    HA   ARG 104           HA       ARG 104  -7.956   8.118  -9.431
  744   1HB   ARG 104          2HB       ARG 104  -9.613   5.617  -9.459
  745   2HB   ARG 104          1HB       ARG 104 -10.048   6.856  -8.283
  746   1HG   ARG 104          2HG       ARG 104  -9.698   7.407 -11.243
  747   2HG   ARG 104          1HG       ARG 104 -11.248   6.998 -10.514
  748   1HD   ARG 104          2HD       ARG 104 -11.411   9.291 -10.356
  749   2HD   ARG 104          1HD       ARG 104 -10.513   9.022  -8.857
  750    HE   ARG 104           HE       ARG 104  -8.534   9.273 -10.770
  751   1HH1  ARG 104          1HH2      ARG 104 -11.273  11.107  -9.767
  752   2HH1  ARG 104          2HH2      ARG 104 -10.594  12.628 -10.244
  753   1HH2  ARG 104          1HH1      ARG 104  -7.631  11.226 -11.410
  754   2HH2  ARG 104          2HH1      ARG 104  -8.523  12.694 -11.184
  755    H    GLN 105           H        GLN 105  -6.048   8.152  -7.991
  756    HA   GLN 105           HA       GLN 105  -6.034   6.324  -5.715
  757   1HB   GLN 105          2HB       GLN 105  -4.046   7.523  -5.006
  758   2HB   GLN 105          1HB       GLN 105  -3.942   7.230  -6.742
  759   1HG   GLN 105          2HG       GLN 105  -4.943   9.551  -7.072
  760   2HG   GLN 105          1HG       GLN 105  -4.672   9.811  -5.341
  761   1HE2  GLN 105          1HE2      GLN 105  -3.212  11.554  -6.691
  762   2HE2  GLN 105          2HE2      GLN 105  -1.595  11.075  -6.892
  763    H    TRP 106           H        TRP 106  -7.336   9.468  -6.427
  764    HA   TRP 106           HA       TRP 106  -8.391  11.060  -5.074
  765   1HB   TRP 106          2HB       TRP 106  -9.769   8.811  -5.107
  766   2HB   TRP 106          1HB       TRP 106  -9.306   8.723  -3.411
  767    HD1  TRP 106           HD       TRP 106 -11.021   9.716  -1.911
  768    HE1  TRP 106           1HE      TRP 106 -12.780  11.616  -2.057
  769    HE3  TRP 106           3HE      TRP 106 -10.079  11.421  -6.620
  770    HZ2  TRP 106           2HZ      TRP 106 -13.627  13.605  -3.916
  771    HZ3  TRP 106           3HZ      TRP 106 -11.363  13.323  -7.551
  772    HH2  TRP 106           HH       TRP 106 -13.137  14.415  -6.208
  Start of MODEL   11
    1   1H    SER   1          1HT       SER   1  12.777  -7.759   1.991
    2   2H    SER   1          2HT       SER   1  11.934  -7.264   3.377
    3   3H    SER   1          3HT       SER   1  12.041  -6.231   2.035
    4    HA   SER   1           HA       SER   1  10.745  -8.886   1.877
    5   1HB   SER   1          2HB       SER   1   8.601  -7.763   2.232
    6   2HB   SER   1          1HB       SER   1   9.642  -7.479   3.613
    7    HG   SER   1           HG       SER   1  10.013  -5.434   2.929
    8    H    LYS   2           H        LYS   2  10.183  -9.304  -0.205
    9    HA   LYS   2           HA       LYS   2  10.899  -7.379  -2.280
   10   1HB   LYS   2          2HB       LYS   2   9.893 -10.195  -2.141
   11   2HB   LYS   2          1HB       LYS   2   9.567  -9.309  -3.625
   12   1HG   LYS   2          2HG       LYS   2  11.713 -10.573  -3.731
   13   2HG   LYS   2          1HG       LYS   2  11.952  -8.834  -3.908
   14   1HD   LYS   2          2HD       LYS   2  12.761  -8.605  -1.687
   15   2HD   LYS   2          1HD       LYS   2  12.138 -10.185  -1.212
   16   1HE   LYS   2          2HE       LYS   2  14.304  -9.799  -3.289
   17   2HE   LYS   2          1HE       LYS   2  14.634 -10.127  -1.590
   18   1HZ   LYS   2          1HZ       LYS   2  13.014 -12.087  -1.972
   19   2HZ   LYS   2          2HZ       LYS   2  14.625 -12.221  -2.495
   20   3HZ   LYS   2          3HZ       LYS   2  13.392 -11.868  -3.605
   21    H    VAL   3           H        VAL   3   9.599  -5.677  -2.586
   22    HA   VAL   3           HA       VAL   3   6.629  -6.038  -2.350
   23    HB   VAL   3           HB       VAL   3   8.379  -3.587  -2.111
   24   1HG1  VAL   3          1HG1      VAL   3   6.055  -3.179  -3.005
   25   2HG1  VAL   3          2HG1      VAL   3   6.421  -2.378  -1.483
   26   3HG1  VAL   3          3HG1      VAL   3   5.437  -3.841  -1.500
   27   1HG2  VAL   3          1HG2      VAL   3   8.709  -4.902  -0.176
   28   2HG2  VAL   3          2HG2      VAL   3   7.025  -5.392  -0.127
   29   3HG2  VAL   3          3HG2      VAL   3   7.461  -3.749   0.283
   30    H    VAL   4           H        VAL   4   5.742  -6.325  -4.333
   31    HA   VAL   4           HA       VAL   4   6.937  -4.914  -6.661
   32    HB   VAL   4           HB       VAL   4   4.795  -7.008  -6.641
   33   1HG1  VAL   4          1HG1      VAL   4   6.515  -5.779  -8.798
   34   2HG1  VAL   4          2HG1      VAL   4   4.753  -5.784  -8.698
   35   3HG1  VAL   4          3HG1      VAL   4   5.622  -7.282  -9.031
   36   1HG2  VAL   4          1HG2      VAL   4   6.758  -8.462  -7.447
   37   2HG2  VAL   4          2HG2      VAL   4   6.700  -8.077  -5.726
   38   3HG2  VAL   4          3HG2      VAL   4   7.797  -7.196  -6.790
   39    H    TYR   5           H        TYR   5   6.187  -2.887  -6.616
   40    HA   TYR   5           HA       TYR   5   3.380  -2.187  -6.151
   41   1HB   TYR   5          2HB       TYR   5   5.606  -0.538  -7.384
   42   2HB   TYR   5          1HB       TYR   5   4.003   0.076  -6.996
   43    HD1  TYR   5           1HD      TYR   5   6.900  -1.703  -5.444
   44    HD2  TYR   5           2HD      TYR   5   3.592   0.969  -4.852
   45    HE1  TYR   5           1HE      TYR   5   7.646  -1.281  -3.122
   46    HE2  TYR   5           2HE      TYR   5   4.351   1.396  -2.528
   47    HH   TYR   5           HH       TYR   5   7.394   0.577  -1.408
   48    H    VAL   6           H        VAL   6   1.895  -2.853  -7.617
   49    HA   VAL   6           HA       VAL   6   2.690  -3.054 -10.496
   50    HB   VAL   6           HB       VAL   6   0.276  -4.102  -8.993
   51   1HG1  VAL   6          1HG1      VAL   6  -0.441  -3.610 -11.227
   52   2HG1  VAL   6          2HG1      VAL   6  -0.090  -5.338 -11.195
   53   3HG1  VAL   6          3HG1      VAL   6   1.067  -4.216 -11.911
   54   1HG2  VAL   6          1HG2      VAL   6   2.259  -5.361  -8.466
   55   2HG2  VAL   6          2HG2      VAL   6   2.759  -5.383 -10.159
   56   3HG2  VAL   6          3HG2      VAL   6   1.345  -6.306  -9.641
   57    H    SER   7           H        SER   7   2.236  -1.337 -11.701
   58    HA   SER   7           HA       SER   7   0.472   0.778 -10.798
   59   1HB   SER   7          2HB       SER   7   0.972   1.804 -13.007
   60   2HB   SER   7          1HB       SER   7   2.436   1.293 -12.176
   61    HG   SER   7           HG       SER   7   1.201   0.276 -14.456
   62    H    HIS   8           H        HIS   8  -0.733   1.410 -13.351
   63    HA   HIS   8           HA       HIS   8  -3.018  -0.458 -13.194
   64   1HB   HIS   8          2HB       HIS   8  -3.794   1.414 -15.037
   65   2HB   HIS   8          1HB       HIS   8  -4.002   1.618 -13.306
   66    HD1  HIS   8           1HD      HIS   8  -1.447   2.502 -12.226
   67    HD2  HIS   8           2HD      HIS   8  -2.656   3.723 -16.027
   68    HE1  HIS   8           1HE      HIS   8  -0.142   4.613 -12.750
   69    HE2  HIS   8           2HE      HIS   8  -0.864   5.359 -15.066
   70    H    ASP   9           H        ASP   9  -0.881   0.923 -15.711
   71    HA   ASP   9           HA       ASP   9  -1.886  -0.729 -17.812
   72   1HB   ASP   9          2HB       ASP   9   0.229  -0.078 -18.983
   73   2HB   ASP   9          1HB       ASP   9  -0.643   1.297 -18.302
   74    H    GLY  10           H        GLY  10  -0.348  -1.792 -15.075
   75   1HA   GLY  10          2HA       GLY  10   0.236  -4.112 -14.757
   76   2HA   GLY  10          1HA       GLY  10   0.593  -4.243 -16.484
   77    H    THR  11           H        THR  11   1.986  -1.406 -15.668
   78    HA   THR  11           HA       THR  11   4.644  -2.455 -15.778
   79    HB   THR  11           HB       THR  11   3.392   0.123 -15.784
   80    HG1  THR  11           1HG      THR  11   4.908   0.347 -17.182
   81   1HG2  THR  11          1HG2      THR  11   5.791  -0.052 -13.932
   82   2HG2  THR  11          2HG2      THR  11   4.161   0.419 -13.458
   83   3HG2  THR  11          3HG2      THR  11   5.092   1.443 -14.545
   84    H    ARG  12           H        ARG  12   5.826  -3.333 -14.185
   85    HA   ARG  12           HA       ARG  12   4.858  -3.092 -11.359
   86   1HB   ARG  12          2HB       ARG  12   6.637  -5.274 -12.441
   87   2HB   ARG  12          1HB       ARG  12   5.689  -5.266 -10.959
   88   1HG   ARG  12          2HG       ARG  12   3.639  -4.965 -12.544
   89   2HG   ARG  12          1HG       ARG  12   4.736  -5.522 -13.804
   90   1HD   ARG  12          2HD       ARG  12   5.053  -7.367 -11.633
   91   2HD   ARG  12          1HD       ARG  12   3.315  -7.103 -11.820
   92    HE   ARG  12           HE       ARG  12   4.902  -8.640 -13.585
   93   1HH1  ARG  12          1HH2      ARG  12   2.482  -6.167 -13.534
   94   2HH1  ARG  12          2HH2      ARG  12   1.932  -6.494 -15.145
   95   1HH2  ARG  12          1HH1      ARG  12   4.184  -9.095 -15.657
   96   2HH2  ARG  12          2HH1      ARG  12   2.900  -8.162 -16.354
   97    H    ARG  13           H        ARG  13   6.476  -3.180  -9.677
   98    HA   ARG  13           HA       ARG  13   9.250  -2.447 -10.388
   99   1HB   ARG  13          2HB       ARG  13   7.775  -0.343 -10.215
  100   2HB   ARG  13          1HB       ARG  13   7.637  -0.729  -8.502
  101   1HG   ARG  13          2HG       ARG  13  10.110  -0.703  -8.316
  102   2HG   ARG  13          1HG       ARG  13  10.219  -0.222 -10.006
  103   1HD   ARG  13          2HD       ARG  13   8.373   1.532  -8.579
  104   2HD   ARG  13          1HD       ARG  13   9.926   1.496  -7.766
  105    HE   ARG  13           HE       ARG  13  10.966   2.379  -9.763
  106   1HH1  ARG  13          1HH2      ARG  13   7.559   1.869 -10.121
  107   2HH1  ARG  13          2HH2      ARG  13   7.385   3.098 -11.331
  108   1HH2  ARG  13          1HH1      ARG  13  10.730   3.982 -11.310
  109   2HH2  ARG  13          2HH1      ARG  13   9.168   4.292 -11.996
  110    H    GLU  14           H        GLU  14  10.388  -3.789  -9.079
  111    HA   GLU  14           HA       GLU  14   9.156  -4.762  -6.551
  112   1HB   GLU  14          2HB       GLU  14  11.734  -5.777  -7.756
  113   2HB   GLU  14          1HB       GLU  14  10.592  -6.622  -6.708
  114   1HG   GLU  14          2HG       GLU  14   8.889  -6.281  -8.645
  115   2HG   GLU  14          1HG       GLU  14  10.311  -5.946  -9.634
  116    H    LEU  15           H        LEU  15   9.883  -4.025  -4.605
  117    HA   LEU  15           HA       LEU  15  12.502  -2.546  -4.500
  118   1HB   LEU  15          2HB       LEU  15  10.156  -2.233  -2.596
  119   2HB   LEU  15          1HB       LEU  15  11.581  -1.222  -2.689
  120    HG   LEU  15           HG       LEU  15   9.355  -1.474  -4.659
  121   1HD1  LEU  15          1HD1      LEU  15  10.412   1.103  -3.520
  122   2HD1  LEU  15          2HD1      LEU  15   9.390   0.090  -2.497
  123   3HD1  LEU  15          3HD1      LEU  15   8.778   0.700  -4.030
  124   1HD2  LEU  15          1HD2      LEU  15  10.757   0.375  -5.878
  125   2HD2  LEU  15          2HD2      LEU  15  11.248  -1.290  -6.087
  126   3HD2  LEU  15          3HD2      LEU  15  12.105  -0.262  -4.954
  127    H    ASP  16           H        ASP  16  12.714  -2.315  -1.877
  128    HA   ASP  16           HA       ASP  16  12.550  -4.983  -0.602
  129   1HB   ASP  16          2HB       ASP  16  14.903  -4.560  -1.593
  130   2HB   ASP  16          1HB       ASP  16  15.044  -3.257  -0.413
  131    H    VAL  17           H        VAL  17  11.036  -4.301   0.905
  132    HA   VAL  17           HA       VAL  17  11.543  -1.729   2.375
  133    HB   VAL  17           HB       VAL  17   8.988  -3.402   2.299
  134   1HG1  VAL  17          1HG1      VAL  17   8.809  -1.914   4.091
  135   2HG1  VAL  17          2HG1      VAL  17   8.076  -1.008   2.776
  136   3HG1  VAL  17          3HG1      VAL  17   9.726  -0.649   3.272
  137   1HG2  VAL  17          1HG2      VAL  17   9.971  -1.133   0.536
  138   2HG2  VAL  17          2HG2      VAL  17   8.281  -1.622   0.612
  139   3HG2  VAL  17          3HG2      VAL  17   9.507  -2.745   0.018
  140    H    ALA  18           H        ALA  18  12.558  -2.031   4.245
  141    HA   ALA  18           HA       ALA  18  12.886  -4.640   5.441
  142   1HB   ALA  18          1HB       ALA  18  14.277  -3.531   7.049
  143   2HB   ALA  18          2HB       ALA  18  13.544  -1.968   6.685
  144   3HB   ALA  18          3HB       ALA  18  14.568  -2.760   5.489
  145    H    ASP  19           H        ASP  19  12.699  -4.659   7.975
  146    HA   ASP  19           HA       ASP  19   9.933  -4.822   8.630
  147   1HB   ASP  19          2HB       ASP  19  10.865  -5.171  10.980
  148   2HB   ASP  19          1HB       ASP  19  11.429  -6.297   9.746
  149    H    GLY  20           H        GLY  20   8.617  -3.422   9.570
  150   1HA   GLY  20          2HA       GLY  20   7.951  -1.558  10.929
  151   2HA   GLY  20          1HA       GLY  20   9.639  -1.085  11.060
  152    H    VAL  21           H        VAL  21   9.709  -1.408   7.915
  153    HA   VAL  21           HA       VAL  21   9.102   1.409   7.464
  154    HB   VAL  21           HB       VAL  21  10.021  -0.715   5.522
  155   1HG1  VAL  21          1HG1      VAL  21  10.161   2.298   5.408
  156   2HG1  VAL  21          2HG1      VAL  21   9.105   1.275   4.425
  157   3HG1  VAL  21          3HG1      VAL  21  10.852   1.198   4.209
  158   1HG2  VAL  21          1HG2      VAL  21  12.255  -0.118   5.957
  159   2HG2  VAL  21          2HG2      VAL  21  11.515  -0.305   7.555
  160   3HG2  VAL  21          3HG2      VAL  21  11.778   1.308   6.885
  161    H    SER  22           H        SER  22   7.409   2.204   6.237
  162    HA   SER  22           HA       SER  22   5.266   0.264   5.517
  163   1HB   SER  22          2HB       SER  22   3.895   2.343   5.214
  164   2HB   SER  22          1HB       SER  22   4.561   2.198   6.838
  165    HG   SER  22           HG       SER  22   5.024   4.066   4.908
  166    H    LEU  23           H        LEU  23   4.611  -0.012   3.399
  167    HA   LEU  23           HA       LEU  23   6.392   0.220   1.265
  168   1HB   LEU  23          2HB       LEU  23   3.410   0.615   0.960
  169   2HB   LEU  23          1HB       LEU  23   4.514  -0.106  -0.204
  170    HG   LEU  23           HG       LEU  23   3.507  -1.264   2.396
  171   1HD1  LEU  23          1HD1      LEU  23   2.744  -3.044   1.039
  172   2HD1  LEU  23          2HD1      LEU  23   3.808  -2.598  -0.286
  173   3HD1  LEU  23          3HD1      LEU  23   2.402  -1.603   0.084
  174   1HD2  LEU  23          1HD2      LEU  23   5.164  -3.150   1.917
  175   2HD2  LEU  23          2HD2      LEU  23   5.861  -1.667   2.549
  176   3HD2  LEU  23          3HD2      LEU  23   5.984  -2.035   0.835
  177    H    MET  24           H        MET  24   4.209   2.656   2.518
  178    HA   MET  24           HA       MET  24   4.545   4.569   0.389
  179   1HB   MET  24          2HB       MET  24   2.664   4.785   1.859
  180   2HB   MET  24          1HB       MET  24   3.698   4.740   3.278
  181   1HG   MET  24          2HG       MET  24   2.851   7.036   2.714
  182   2HG   MET  24          1HG       MET  24   4.607   6.930   2.766
  183   1HE   MET  24          1HE       MET  24   3.455   9.526   0.099
  184   2HE   MET  24          2HE       MET  24   3.271   9.150   1.806
  185   3HE   MET  24          3HE       MET  24   1.980   8.744   0.679
  186    H    GLN  25           H        GLN  25   6.390   3.725   3.250
  187    HA   GLN  25           HA       GLN  25   8.009   6.143   3.237
  188   1HB   GLN  25          2HB       GLN  25   7.758   4.967   5.321
  189   2HB   GLN  25          1HB       GLN  25   8.313   3.460   4.612
  190   1HG   GLN  25          2HG       GLN  25  10.053   4.637   5.998
  191   2HG   GLN  25          1HG       GLN  25  10.558   4.341   4.339
  192   1HE2  GLN  25          1HE2      GLN  25   9.115   6.899   6.420
  193   2HE2  GLN  25          2HE2      GLN  25   9.754   8.195   5.527
  194    H    ALA  26           H        ALA  26   8.941   2.707   2.572
  195    HA   ALA  26           HA       ALA  26  11.426   3.348   1.362
  196   1HB   ALA  26          1HB       ALA  26  10.956   1.081   0.132
  197   2HB   ALA  26          2HB       ALA  26   9.519   1.036   1.150
  198   3HB   ALA  26          3HB       ALA  26  11.120   1.081   1.887
  199    H    ALA  27           H        ALA  27   8.179   3.609   0.086
  200    HA   ALA  27           HA       ALA  27   8.815   3.540  -2.673
  201   1HB   ALA  27          1HB       ALA  27   6.518   3.395  -2.140
  202   2HB   ALA  27          2HB       ALA  27   6.678   5.020  -2.792
  203   3HB   ALA  27          3HB       ALA  27   6.601   4.779  -1.051
  204    H    VAL  28           H        VAL  28   9.367   5.901  -0.229
  205    HA   VAL  28           HA       VAL  28   9.788   8.110  -2.151
  206    HB   VAL  28           HB       VAL  28  10.289   7.917   0.831
  207   1HG1  VAL  28          1HG1      VAL  28  11.753   9.600  -0.048
  208   2HG1  VAL  28          2HG1      VAL  28  10.358  10.450   0.615
  209   3HG1  VAL  28          3HG1      VAL  28  10.499  10.215  -1.123
  210   1HG2  VAL  28          1HG2      VAL  28   8.240   9.153   1.068
  211   2HG2  VAL  28          2HG2      VAL  28   7.893   7.805  -0.009
  212   3HG2  VAL  28          3HG2      VAL  28   8.135   9.423  -0.672
  213    H    SER  29           H        SER  29  11.594   5.567  -0.718
  214    HA   SER  29           HA       SER  29  14.210   6.866  -1.032
  215   1HB   SER  29          2HB       SER  29  14.730   5.290   0.524
  216   2HB   SER  29          1HB       SER  29  13.124   4.605   0.330
  217    HG   SER  29           HG       SER  29  13.986   3.461  -1.502
  218    H    ASN  30           H        ASN  30  12.176   4.629  -2.825
  219    HA   ASN  30           HA       ASN  30  14.357   4.116  -4.778
  220   1HB   ASN  30          2HB       ASN  30  11.597   2.985  -4.322
  221   2HB   ASN  30          1HB       ASN  30  12.457   2.703  -5.836
  222   1HD2  ASN  30          1HD2      ASN  30  12.858   2.354  -2.282
  223   2HD2  ASN  30          2HD2      ASN  30  13.900   1.018  -2.374
  224    H    GLY  31           H        GLY  31  12.506   6.637  -4.186
  225   1HA   GLY  31          2HA       GLY  31  11.720   8.407  -5.539
  226   2HA   GLY  31          1HA       GLY  31  12.634   7.679  -6.858
  227    H    ILE  32           H        ILE  32   9.621   7.203  -5.028
  228    HA   ILE  32           HA       ILE  32   8.290   6.342  -7.588
  229    HB   ILE  32           HB       ILE  32   7.690   5.320  -4.802
  230   1HG1  ILE  32          2HG1      ILE  32   9.400   4.239  -7.048
  231   2HG1  ILE  32          1HG1      ILE  32   9.891   4.592  -5.392
  232   1HG2  ILE  32          1HG2      ILE  32   6.898   4.131  -7.467
  233   2HG2  ILE  32          2HG2      ILE  32   5.860   5.257  -6.585
  234   3HG2  ILE  32          3HG2      ILE  32   6.291   3.704  -5.862
  235   1HD1  ILE  32          1HD1      ILE  32   9.637   2.277  -5.402
  236   2HD1  ILE  32          2HD1      ILE  32   8.189   2.330  -6.402
  237   3HD1  ILE  32          3HD1      ILE  32   8.114   2.830  -4.719
  238    H    TYR  33           H        TYR  33   6.803   7.729  -8.157
  239    HA   TYR  33           HA       TYR  33   5.964  10.057  -6.913
  240   1HB   TYR  33          2HB       TYR  33   5.488   9.447  -9.274
  241   2HB   TYR  33          1HB       TYR  33   4.224   8.351  -8.719
  242    HD1  TYR  33           1HD      TYR  33   5.322  11.926  -8.509
  243    HD2  TYR  33           2HD      TYR  33   2.038   9.160  -8.366
  244    HE1  TYR  33           1HE      TYR  33   3.727  13.823  -8.439
  245    HE2  TYR  33           2HE      TYR  33   0.444  11.058  -8.290
  246    HH   TYR  33           HH       TYR  33   0.312  13.363  -8.819
  247    H    ASP  34           H        ASP  34   5.844   8.382  -4.738
  248    HA   ASP  34           HA       ASP  34   2.988   7.804  -4.170
  249   1HB   ASP  34          2HB       ASP  34   3.838   6.669  -2.189
  250   2HB   ASP  34          1HB       ASP  34   4.789   6.156  -3.587
  251    H    ILE  35           H        ILE  35   5.456  10.183  -3.482
  252    HA   ILE  35           HA       ILE  35   4.646  11.199  -1.012
  253    HB   ILE  35           HB       ILE  35   6.641  11.869  -2.383
  254   1HG1  ILE  35          2HG1      ILE  35   5.303  14.486  -1.799
  255   2HG1  ILE  35          1HG1      ILE  35   5.354  13.340  -0.457
  256   1HG2  ILE  35          1HG2      ILE  35   5.331  12.149  -4.497
  257   2HG2  ILE  35          2HG2      ILE  35   6.397  13.507  -4.141
  258   3HG2  ILE  35          3HG2      ILE  35   4.666  13.642  -3.843
  259   1HD1  ILE  35          1HD1      ILE  35   7.336  14.907  -0.592
  260   2HD1  ILE  35          2HD1      ILE  35   7.794  14.099  -2.085
  261   3HD1  ILE  35          3HD1      ILE  35   7.755  13.194  -0.574
  262    H    VAL  36           H        VAL  36   3.785  13.815  -1.302
  263    HA   VAL  36           HA       VAL  36   1.824  15.064  -1.430
  264    HB   VAL  36           HB       VAL  36   1.717  13.482  -4.012
  265   1HG1  VAL  36          1HG1      VAL  36  -0.368  15.364  -2.889
  266   2HG1  VAL  36          2HG1      VAL  36  -0.608  13.746  -3.550
  267   3HG1  VAL  36          3HG1      VAL  36  -0.190  15.083  -4.621
  268   1HG2  VAL  36          1HG2      VAL  36   3.280  15.490  -3.539
  269   2HG2  VAL  36          2HG2      VAL  36   1.818  16.473  -3.602
  270   3HG2  VAL  36          3HG2      VAL  36   2.316  15.539  -5.016
  271    H    GLY  37           H        GLY  37   0.693  14.419   0.338
  272   1HA   GLY  37          2HA       GLY  37  -1.529  12.531  -0.073
  273   2HA   GLY  37          1HA       GLY  37  -0.361  12.061   1.153
  274    H    ASP  38           H        ASP  38  -2.933  12.518   1.983
  275    HA   ASP  38           HA       ASP  38  -3.169  15.310   2.915
  276   1HB   ASP  38          2HB       ASP  38  -4.897  12.851   3.174
  277   2HB   ASP  38          1HB       ASP  38  -5.264  14.341   4.039
  278    H    CYS  39           H        CYS  39  -3.460  12.193   4.676
  279    HA   CYS  39           HA       CYS  39  -2.701  13.439   7.172
  280   1HB   CYS  39          2HB       CYS  39  -2.957  11.303   8.147
  281   2HB   CYS  39          1HB       CYS  39  -4.108  11.293   6.813
  282    H    GLY  40           H        GLY  40  -0.792  13.384   4.714
  283   1HA   GLY  40          2HA       GLY  40   1.520  13.122   4.353
  284   2HA   GLY  40          1HA       GLY  40   1.657  13.472   6.083
  285    H    GLY  41           H        GLY  41  -0.288  10.790   5.356
  286   1HA   GLY  41          2HA       GLY  41   0.213   8.464   5.240
  287   2HA   GLY  41          1HA       GLY  41   1.915   8.820   5.533
  288    H    SER  42           H        SER  42  -0.447  10.372   7.522
  289    HA   SER  42           HA       SER  42   0.530   8.839   9.871
  290   1HB   SER  42          2HB       SER  42  -1.123  11.363   9.603
  291   2HB   SER  42          1HB       SER  42  -0.741  10.608  11.147
  292    HG   SER  42           HG       SER  42   1.246  11.272   9.241
  293    H    ALA  43           H        ALA  43  -1.271   7.509   8.019
  294    HA   ALA  43           HA       ALA  43  -3.329   6.362   7.983
  295   1HB   ALA  43          1HB       ALA  43  -3.615   5.025   9.891
  296   2HB   ALA  43          2HB       ALA  43  -3.103   6.306  10.991
  297   3HB   ALA  43          3HB       ALA  43  -1.913   5.473   9.995
  298    H    SER  44           H        SER  44  -4.350   8.606   7.437
  299    HA   SER  44           HA       SER  44  -6.665   8.923   9.175
  300   1HB   SER  44          2HB       SER  44  -5.164  11.499   8.899
  301   2HB   SER  44          1HB       SER  44  -6.221  10.947  10.194
  302    HG   SER  44           HG       SER  44  -3.634   9.921   9.623
  303    H    CYS  45           H        CYS  45  -5.925   8.444   6.281
  304    HA   CYS  45           HA       CYS  45  -7.965  10.216   5.169
  305   1HB   CYS  45          2HB       CYS  45  -6.679  11.446   3.659
  306   2HB   CYS  45          1HB       CYS  45  -5.666  11.459   5.093
  307    H    ALA  46           H        ALA  46  -7.261   9.809   2.448
  308    HA   ALA  46           HA       ALA  46  -7.255   6.829   2.164
  309   1HB   ALA  46          1HB       ALA  46  -9.288   8.821   1.158
  310   2HB   ALA  46          2HB       ALA  46  -9.562   7.281   1.970
  311   3HB   ALA  46          3HB       ALA  46  -9.019   7.308   0.294
  312    H    THR  47           H        THR  47  -5.749   9.635   1.433
  313    HA   THR  47           HA       THR  47  -5.380   9.745  -1.325
  314    HB   THR  47           HB       THR  47  -3.108  10.637  -0.830
  315    HG1  THR  47           1HG      THR  47  -2.333  10.540   1.207
  316   1HG2  THR  47          1HG2      THR  47  -5.111  11.641   1.185
  317   2HG2  THR  47          2HG2      THR  47  -5.265  11.965  -0.530
  318   3HG2  THR  47          3HG2      THR  47  -3.865  12.567   0.351
  319    H    CYS  48           H        CYS  48  -3.518   7.731   0.992
  320    HA   CYS  48           HA       CYS  48  -2.098   6.386  -1.152
  321   1HB   CYS  48          2HB       CYS  48  -1.256   4.932   0.594
  322   2HB   CYS  48          1HB       CYS  48  -1.244   6.591   1.191
  323    H    HIS  49           H        HIS  49  -4.606   6.213  -1.998
  324    HA   HIS  49           HA       HIS  49  -6.026   3.825  -1.096
  325   1HB   HIS  49          2HB       HIS  49  -7.328   5.607  -2.087
  326   2HB   HIS  49          1HB       HIS  49  -6.273   5.670  -3.470
  327    HD1  HIS  49           1HD      HIS  49  -8.572   3.008  -1.888
  328    HD2  HIS  49           2HD      HIS  49  -7.327   4.411  -5.584
  329    HE1  HIS  49           1HE      HIS  49  -9.779   1.605  -3.656
  330    HE2  HIS  49           2HE      HIS  49  -9.013   2.467  -5.890
  331    H    VAL  50           H        VAL  50  -4.928   1.879  -1.440
  332    HA   VAL  50           HA       VAL  50  -4.208   1.255  -4.255
  333    HB   VAL  50           HB       VAL  50  -1.977   0.752  -3.883
  334   1HG1  VAL  50          1HG1      VAL  50  -0.960   2.534  -2.575
  335   2HG1  VAL  50          2HG1      VAL  50  -2.470   2.796  -1.704
  336   3HG1  VAL  50          3HG1      VAL  50  -2.372   3.166  -3.424
  337   1HG2  VAL  50          1HG2      VAL  50  -2.748   0.284  -0.991
  338   2HG2  VAL  50          2HG2      VAL  50  -1.067   0.352  -1.514
  339   3HG2  VAL  50          3HG2      VAL  50  -2.141  -0.894  -2.159
  340    H    TYR  51           H        TYR  51  -3.933  -1.079  -4.582
  341    HA   TYR  51           HA       TYR  51  -5.633  -2.640  -2.689
  342   1HB   TYR  51          2HB       TYR  51  -5.028  -2.988  -5.614
  343   2HB   TYR  51          1HB       TYR  51  -6.075  -4.030  -4.697
  344    HD1  TYR  51           1HD      TYR  51  -7.823  -2.388  -3.131
  345    HD2  TYR  51           2HD      TYR  51  -6.149  -1.506  -7.001
  346    HE1  TYR  51           1HE      TYR  51  -9.594  -0.722  -3.522
  347    HE2  TYR  51           2HE      TYR  51  -7.962   0.108  -7.391
  348    HH   TYR  51           HH       TYR  51 -10.424   0.398  -6.442
  349    H    VAL  52           H        VAL  52  -4.431  -3.796  -1.386
  350    HA   VAL  52           HA       VAL  52  -1.773  -4.817  -2.123
  351    HB   VAL  52           HB       VAL  52  -3.290  -5.415   0.424
  352   1HG1  VAL  52          1HG1      VAL  52  -1.198  -5.945   1.345
  353   2HG1  VAL  52          2HG1      VAL  52  -0.321  -5.079   0.087
  354   3HG1  VAL  52          3HG1      VAL  52  -1.106  -6.616  -0.274
  355   1HG2  VAL  52          1HG2      VAL  52  -2.456  -3.439   1.446
  356   2HG2  VAL  52          2HG2      VAL  52  -3.100  -2.890  -0.091
  357   3HG2  VAL  52          3HG2      VAL  52  -1.361  -3.104   0.105
  358    H    ASN  53           H        ASN  53  -1.389  -6.949  -2.769
  359    HA   ASN  53           HA       ASN  53  -3.432  -8.603  -3.710
  360   1HB   ASN  53          2HB       ASN  53  -0.597  -8.815  -3.285
  361   2HB   ASN  53          1HB       ASN  53  -1.320 -10.303  -2.691
  362   1HD2  ASN  53          1HD2      ASN  53  -0.553 -11.601  -4.482
  363   2HD2  ASN  53          2HD2      ASN  53  -1.157 -11.409  -6.059
  364    H    GLU  54           H        GLU  54  -4.992  -9.784  -2.730
  365    HA   GLU  54           HA       GLU  54  -5.525  -9.690   0.027
  366   1HB   GLU  54          2HB       GLU  54  -7.063 -11.634  -0.428
  367   2HB   GLU  54          1HB       GLU  54  -7.273 -10.266  -1.517
  368   1HG   GLU  54          2HG       GLU  54  -6.034 -11.363  -3.263
  369   2HG   GLU  54          1HG       GLU  54  -5.504 -12.639  -2.166
  370    H    ALA  55           H        ALA  55  -2.827 -11.105  -1.077
  371    HA   ALA  55           HA       ALA  55  -2.995 -13.542   0.618
  372   1HB   ALA  55          1HB       ALA  55  -1.026 -12.578  -1.459
  373   2HB   ALA  55          2HB       ALA  55  -2.048 -14.014  -1.505
  374   3HB   ALA  55          3HB       ALA  55  -0.677 -13.946  -0.397
  375    H    PHE  56           H        PHE  56  -1.755 -10.293   0.694
  376    HA   PHE  56           HA       PHE  56  -0.004 -10.979   3.033
  377   1HB   PHE  56          2HB       PHE  56   0.086  -8.721   1.007
  378   2HB   PHE  56          1HB       PHE  56   1.137  -8.818   2.420
  379    HD1  PHE  56           1HD      PHE  56   0.093 -10.679  -0.644
  380    HD2  PHE  56           2HD      PHE  56   3.096 -10.146   2.364
  381    HE1  PHE  56           1HE      PHE  56   1.575 -12.264  -1.838
  382    HE2  PHE  56           2HE      PHE  56   4.571 -11.737   1.192
  383    HZ   PHE  56           HZ       PHE  56   3.818 -12.793  -0.927
  384    H    THR  57           H        THR  57  -2.933  -9.709   2.131
  385    HA   THR  57           HA       THR  57  -3.124  -7.436   3.918
  386    HB   THR  57           HB       THR  57  -5.613  -7.764   3.537
  387    HG1  THR  57           1HG      THR  57  -6.113  -9.704   2.960
  388   1HG2  THR  57          1HG2      THR  57  -3.596  -7.498   1.336
  389   2HG2  THR  57          2HG2      THR  57  -4.693  -6.284   2.003
  390   3HG2  THR  57          3HG2      THR  57  -5.309  -7.541   0.935
  391    H    ASP  58           H        ASP  58  -4.065 -10.854   4.117
  392    HA   ASP  58           HA       ASP  58  -5.037 -10.506   6.888
  393   1HB   ASP  58          2HB       ASP  58  -5.780 -12.798   6.715
  394   2HB   ASP  58          1HB       ASP  58  -6.182 -12.003   5.189
  395    H    LYS  59           H        LYS  59  -2.097 -10.419   5.842
  396    HA   LYS  59           HA       LYS  59  -0.980 -12.278   7.928
  397   1HB   LYS  59          2HB       LYS  59   0.484 -11.290   5.491
  398   2HB   LYS  59          1HB       LYS  59   0.850 -12.691   6.496
  399   1HG   LYS  59          2HG       LYS  59  -1.554 -13.500   5.719
  400   2HG   LYS  59          1HG       LYS  59  -1.303 -12.348   4.397
  401   1HD   LYS  59          2HD       LYS  59  -0.559 -14.562   3.699
  402   2HD   LYS  59          1HD       LYS  59   0.842 -13.510   3.850
  403   1HE   LYS  59          2HE       LYS  59   1.671 -14.683   5.674
  404   2HE   LYS  59          1HE       LYS  59   0.063 -15.108   6.261
  405   1HZ   LYS  59          1HZ       LYS  59   1.067 -16.218   3.725
  406   2HZ   LYS  59          2HZ       LYS  59  -0.119 -16.838   4.775
  407   3HZ   LYS  59          3HZ       LYS  59   1.523 -16.917   5.208
  408    H    VAL  60           H        VAL  60  -0.663  -9.170   6.254
  409    HA   VAL  60           HA       VAL  60   1.329  -8.195   8.166
  410    HB   VAL  60           HB       VAL  60   0.352  -7.478   5.596
  411   1HG1  VAL  60          1HG1      VAL  60   0.024  -5.159   7.485
  412   2HG1  VAL  60          2HG1      VAL  60  -1.211  -5.911   6.496
  413   3HG1  VAL  60          3HG1      VAL  60   0.104  -5.022   5.739
  414   1HG2  VAL  60          1HG2      VAL  60   2.329  -5.640   5.976
  415   2HG2  VAL  60          2HG2      VAL  60   2.619  -7.330   5.582
  416   3HG2  VAL  60          3HG2      VAL  60   2.724  -6.797   7.238
  417    HA   PRO  61           HA       PRO  61  -1.160  -6.773  11.429
  418   1HB   PRO  61          2HB       PRO  61  -0.545  -3.965  11.460
  419   2HB   PRO  61          1HB       PRO  61   0.168  -5.244  12.450
  420   1HG   PRO  61          2HG       PRO  61   1.245  -3.924  10.064
  421   2HG   PRO  61          1HG       PRO  61   2.089  -4.849  11.316
  422   1HD   PRO  61          2HD       PRO  61   1.656  -5.754   8.754
  423   2HD   PRO  61          1HD       PRO  61   1.932  -6.827  10.110
  424    H    ALA  62           H        ALA  62  -3.251  -6.957  10.851
  425    HA   ALA  62           HA       ALA  62  -4.628  -5.145   9.053
  426   1HB   ALA  62          1HB       ALA  62  -6.650  -6.399   9.739
  427   2HB   ALA  62          2HB       ALA  62  -5.718  -7.221  10.985
  428   3HB   ALA  62          3HB       ALA  62  -5.350  -7.502   9.287
  429    H    ALA  63           H        ALA  63  -4.661  -3.054   9.893
  430    HA   ALA  63           HA       ALA  63  -4.826  -2.419  12.664
  431   1HB   ALA  63          1HB       ALA  63  -5.397  -0.851  10.156
  432   2HB   ALA  63          2HB       ALA  63  -3.946  -0.801  11.155
  433   3HB   ALA  63          3HB       ALA  63  -5.460  -0.126  11.758
  434    H    ASN  64           H        ASN  64  -6.538  -1.032  13.560
  435    HA   ASN  64           HA       ASN  64  -9.011  -2.441  13.790
  436   1HB   ASN  64          2HB       ASN  64  -9.771  -0.234  14.945
  437   2HB   ASN  64          1HB       ASN  64  -8.457  -1.158  15.667
  438   1HD2  ASN  64          1HD2      ASN  64  -7.698   0.930  16.630
  439   2HD2  ASN  64          2HD2      ASN  64  -6.818   2.022  15.674
  440    H    GLU  65           H        GLU  65 -11.165  -1.103  13.631
  441    HA   GLU  65           HA       GLU  65 -11.721  -0.705  10.816
  442   1HB   GLU  65          2HB       GLU  65 -14.002  -0.216  11.579
  443   2HB   GLU  65          1HB       GLU  65 -13.371  -1.651  12.385
  444   1HG   GLU  65          2HG       GLU  65 -12.626  -0.072  14.269
  445   2HG   GLU  65          1HG       GLU  65 -13.651   1.145  13.506
  446    H    ARG  66           H        ARG  66 -10.133   1.387  12.796
  447    HA   ARG  66           HA       ARG  66 -11.650   3.800  12.252
  448   1HB   ARG  66          2HB       ARG  66  -8.904   3.200  13.334
  449   2HB   ARG  66          1HB       ARG  66  -9.343   4.850  12.910
  450   1HG   ARG  66          2HG       ARG  66 -11.341   4.682  14.387
  451   2HG   ARG  66          1HG       ARG  66 -10.840   3.058  14.845
  452   1HD   ARG  66          2HD       ARG  66  -8.728   5.120  15.187
  453   2HD   ARG  66          1HD       ARG  66 -10.137   5.329  16.228
  454    HE   ARG  66           HE       ARG  66  -8.989   2.610  16.150
  455   1HH1  ARG  66          1HH2      ARG  66  -9.314   5.674  17.721
  456   2HH1  ARG  66          2HH2      ARG  66  -8.703   5.101  19.237
  457   1HH2  ARG  66          1HH1      ARG  66  -8.163   1.866  18.118
  458   2HH2  ARG  66          2HH1      ARG  66  -8.051   2.956  19.463
  459    H    GLU  67           H        GLU  67  -8.653   2.437  10.898
  460    HA   GLU  67           HA       GLU  67  -8.342   4.416   8.854
  461   1HB   GLU  67          2HB       GLU  67  -7.359   1.556   8.886
  462   2HB   GLU  67          1HB       GLU  67  -6.719   2.875   7.903
  463   1HG   GLU  67          2HG       GLU  67  -6.085   4.108   9.935
  464   2HG   GLU  67          1HG       GLU  67  -6.753   2.818  10.934
  465    H    ILE  68           H        ILE  68 -10.480   1.767   9.212
  466    HA   ILE  68           HA       ILE  68 -10.917   1.286   6.365
  467    HB   ILE  68           HB       ILE  68 -12.361   0.492   8.904
  468   1HG1  ILE  68          2HG1      ILE  68 -11.681  -1.741   8.244
  469   2HG1  ILE  68          1HG1      ILE  68 -11.139  -1.159   6.665
  470   1HG2  ILE  68          1HG2      ILE  68 -13.825  -0.919   7.343
  471   2HG2  ILE  68          2HG2      ILE  68 -13.288   0.142   6.037
  472   3HG2  ILE  68          3HG2      ILE  68 -14.194   0.804   7.404
  473   1HD1  ILE  68          1HD1      ILE  68  -9.305   0.016   7.606
  474   2HD1  ILE  68          2HD1      ILE  68  -9.322  -1.530   8.460
  475   3HD1  ILE  68          3HD1      ILE  68  -9.969  -0.088   9.240
  476    H    GLY  69           H        GLY  69 -12.375   3.332   8.851
  477   1HA   GLY  69          2HA       GLY  69 -14.697   4.143   7.418
  478   2HA   GLY  69          1HA       GLY  69 -13.892   5.132   8.630
  479    H    MET  70           H        MET  70 -11.367   4.892   6.868
  480    HA   MET  70           HA       MET  70 -11.963   7.297   5.246
  481   1HB   MET  70          2HB       MET  70  -9.305   5.940   4.981
  482   2HB   MET  70          1HB       MET  70  -9.674   7.648   5.219
  483   1HG   MET  70          2HG       MET  70  -9.740   5.481   7.334
  484   2HG   MET  70          1HG       MET  70  -8.572   6.792   7.216
  485   1HE   MET  70          1HE       MET  70  -9.370   6.320   9.592
  486   2HE   MET  70          2HE       MET  70 -10.910   6.820  10.277
  487   3HE   MET  70          3HE       MET  70  -9.611   7.993  10.108
  488    H    LEU  71           H        LEU  71 -11.264   3.869   4.841
  489    HA   LEU  71           HA       LEU  71 -11.029   3.871   1.977
  490   1HB   LEU  71          2HB       LEU  71 -11.894   1.766   3.983
  491   2HB   LEU  71          1HB       LEU  71 -11.797   1.439   2.260
  492    HG   LEU  71           HG       LEU  71  -9.495   2.449   3.944
  493   1HD1  LEU  71          1HD1      LEU  71  -9.900  -0.324   2.794
  494   2HD1  LEU  71          2HD1      LEU  71 -10.318   0.099   4.456
  495   3HD1  LEU  71          3HD1      LEU  71  -8.644   0.197   3.914
  496   1HD2  LEU  71          1HD2      LEU  71  -8.846   3.074   1.802
  497   2HD2  LEU  71          2HD2      LEU  71  -9.859   1.868   1.028
  498   3HD2  LEU  71          3HD2      LEU  71  -8.326   1.393   1.744
  499    H    GLU  72           H        GLU  72 -13.697   4.217   4.166
  500    HA   GLU  72           HA       GLU  72 -15.724   3.542   2.141
  501   1HB   GLU  72          2HB       GLU  72 -15.911   3.265   4.728
  502   2HB   GLU  72          1HB       GLU  72 -16.211   5.002   4.753
  503   1HG   GLU  72          2HG       GLU  72 -18.360   3.915   4.654
  504   2HG   GLU  72          1HG       GLU  72 -18.066   4.594   3.059
  505    H    CYS  73           H        CYS  73 -13.597   5.892   2.208
  506    HA   CYS  73           HA       CYS  73 -15.499   7.996   1.221
  507   1HB   CYS  73          2HB       CYS  73 -13.788   8.089   3.528
  508   2HB   CYS  73          1HB       CYS  73 -13.101   9.187   2.333
  509    HG   CYS  73           HG       CYS  73 -14.867  10.608   3.526
  510    H    VAL  74           H        VAL  74 -13.828   5.918  -0.218
  511    HA   VAL  74           HA       VAL  74 -11.732   7.540  -1.523
  512    HB   VAL  74           HB       VAL  74 -11.369   5.451  -2.835
  513   1HG1  VAL  74          1HG1      VAL  74  -9.969   5.617  -0.965
  514   2HG1  VAL  74          2HG1      VAL  74 -10.758   4.067  -0.696
  515   3HG1  VAL  74          3HG1      VAL  74 -11.301   5.499   0.174
  516   1HG2  VAL  74          1HG2      VAL  74 -13.033   3.801  -1.029
  517   2HG2  VAL  74          2HG2      VAL  74 -12.856   3.710  -2.778
  518   3HG2  VAL  74          3HG2      VAL  74 -13.994   4.841  -2.070
  519    H    THR  75           H        THR  75 -11.696   7.678  -3.914
  520    HA   THR  75           HA       THR  75 -14.430   8.141  -5.015
  521    HB   THR  75           HB       THR  75 -11.797   8.939  -6.275
  522    HG1  THR  75           1HG      THR  75 -13.378  10.373  -4.405
  523   1HG2  THR  75          1HG2      THR  75 -13.253  10.743  -7.217
  524   2HG2  THR  75          2HG2      THR  75 -14.643   9.965  -6.462
  525   3HG2  THR  75          3HG2      THR  75 -13.738   9.124  -7.724
  526    H    ALA  76           H        ALA  76 -11.952   5.783  -5.114
  527    HA   ALA  76           HA       ALA  76 -12.725   4.923  -7.884
  528   1HB   ALA  76          1HB       ALA  76 -10.627   3.917  -8.054
  529   2HB   ALA  76          2HB       ALA  76 -10.454   3.743  -6.311
  530   3HB   ALA  76          3HB       ALA  76 -10.268   5.324  -7.060
  531    H    GLU  77           H        GLU  77 -12.585   2.406  -8.087
  532    HA   GLU  77           HA       GLU  77 -14.715   1.254  -6.638
  533   1HB   GLU  77          2HB       GLU  77 -14.512  -0.065  -8.487
  534   2HB   GLU  77          1HB       GLU  77 -12.916   0.593  -8.787
  535   1HG   GLU  77          2HG       GLU  77 -11.851  -1.167  -7.549
  536   2HG   GLU  77          1HG       GLU  77 -13.382  -1.704  -6.851
  537    H    LEU  78           H        LEU  78 -14.583   0.857  -4.397
  538    HA   LEU  78           HA       LEU  78 -12.019   0.177  -3.191
  539   1HB   LEU  78          2HB       LEU  78 -14.147   1.304  -2.087
  540   2HB   LEU  78          1HB       LEU  78 -14.647  -0.365  -1.813
  541    HG   LEU  78           HG       LEU  78 -12.278  -0.729  -0.831
  542   1HD1  LEU  78          1HD1      LEU  78 -10.830   0.954  -0.780
  543   2HD1  LEU  78          2HD1      LEU  78 -11.968   2.021   0.021
  544   3HD1  LEU  78          3HD1      LEU  78 -11.929   1.923  -1.723
  545   1HD2  LEU  78          1HD2      LEU  78 -13.846   1.230   0.827
  546   2HD2  LEU  78          2HD2      LEU  78 -13.042  -0.258   1.320
  547   3HD2  LEU  78          3HD2      LEU  78 -14.557  -0.334   0.432
  548    H    LYS  79           H        LYS  79 -11.538  -1.721  -2.109
  549    HA   LYS  79           HA       LYS  79 -12.670  -4.169  -3.397
  550   1HB   LYS  79          2HB       LYS  79  -9.937  -3.191  -2.665
  551   2HB   LYS  79          1HB       LYS  79 -10.209  -4.933  -2.700
  552   1HG   LYS  79          2HG       LYS  79 -10.966  -3.172  -5.021
  553   2HG   LYS  79          1HG       LYS  79  -9.335  -3.797  -4.850
  554   1HD   LYS  79          2HD       LYS  79 -10.294  -6.116  -4.712
  555   2HD   LYS  79          1HD       LYS  79 -11.873  -5.438  -5.102
  556   1HE   LYS  79          2HE       LYS  79  -9.385  -5.235  -6.814
  557   2HE   LYS  79          1HE       LYS  79 -10.782  -6.262  -7.138
  558   1HZ   LYS  79          1HZ       LYS  79 -12.106  -4.111  -7.036
  559   2HZ   LYS  79          2HZ       LYS  79 -11.140  -4.359  -8.412
  560   3HZ   LYS  79          3HZ       LYS  79 -10.617  -3.312  -7.180
  561    HA   PRO  80           HA       PRO  80 -13.661  -5.573   0.693
  562   1HB   PRO  80          2HB       PRO  80 -12.848  -8.245   0.551
  563   2HB   PRO  80          1HB       PRO  80 -14.396  -7.634  -0.063
  564   1HG   PRO  80          2HG       PRO  80 -11.869  -8.225  -1.534
  565   2HG   PRO  80          1HG       PRO  80 -13.552  -8.483  -2.029
  566   1HD   PRO  80          2HD       PRO  80 -12.082  -6.405  -2.980
  567   2HD   PRO  80          1HD       PRO  80 -13.834  -6.265  -2.701
  568    H    ASN  81           H        ASN  81 -10.529  -6.018  -0.689
  569    HA   ASN  81           HA       ASN  81  -9.244  -6.145   2.001
  570   1HB   ASN  81          2HB       ASN  81  -7.624  -7.535   1.127
  571   2HB   ASN  81          1HB       ASN  81  -8.922  -7.934   0.012
  572   1HD2  ASN  81          1HD2      ASN  81  -8.717  -7.179  -2.211
  573   2HD2  ASN  81          2HD2      ASN  81  -7.294  -6.472  -2.793
  574    H    SER  82           H        SER  82 -10.161  -3.654   0.302
  575    HA   SER  82           HA       SER  82  -7.945  -2.324  -0.743
  576   1HB   SER  82          2HB       SER  82 -10.435  -1.435   0.669
  577   2HB   SER  82          1HB       SER  82  -9.193  -0.248   0.276
  578    HG   SER  82           HG       SER  82  -9.723  -0.409  -1.742
  579    H    ARG  83           H        ARG  83  -6.563  -0.723   0.276
  580    HA   ARG  83           HA       ARG  83  -6.335  -0.782   3.225
  581   1HB   ARG  83          2HB       ARG  83  -4.786  -2.547   1.515
  582   2HB   ARG  83          1HB       ARG  83  -3.694  -1.464   2.371
  583   1HG   ARG  83          2HG       ARG  83  -5.890  -3.004   3.778
  584   2HG   ARG  83          1HG       ARG  83  -4.268  -3.656   3.555
  585   1HD   ARG  83          2HD       ARG  83  -3.333  -2.197   5.083
  586   2HD   ARG  83          1HD       ARG  83  -4.445  -0.898   4.692
  587    HE   ARG  83           HE       ARG  83  -6.176  -2.064   6.008
  588   1HH1  ARG  83          1HH2      ARG  83  -2.909  -3.199   6.369
  589   2HH1  ARG  83          2HH2      ARG  83  -3.169  -3.748   7.991
  590   1HH2  ARG  83          1HH1      ARG  83  -6.500  -2.801   8.079
  591   2HH2  ARG  83          2HH1      ARG  83  -5.192  -3.518   8.946
  592    H    LEU  84           H        LEU  84  -5.056   0.824   4.106
  593    HA   LEU  84           HA       LEU  84  -4.405   3.071   2.311
  594   1HB   LEU  84          2HB       LEU  84  -4.187   2.788   5.332
  595   2HB   LEU  84          1HB       LEU  84  -3.943   4.279   4.451
  596    HG   LEU  84           HG       LEU  84  -6.177   4.286   5.374
  597   1HD1  LEU  84          1HD1      LEU  84  -5.715   5.027   2.913
  598   2HD1  LEU  84          2HD1      LEU  84  -7.383   4.867   3.459
  599   3HD1  LEU  84          3HD1      LEU  84  -6.653   3.596   2.483
  600   1HD2  LEU  84          1HD2      LEU  84  -7.659   2.518   5.325
  601   2HD2  LEU  84          2HD2      LEU  84  -6.166   1.596   5.265
  602   3HD2  LEU  84          3HD2      LEU  84  -7.067   1.905   3.787
  603    H    CYS  85           H        CYS  85  -2.363   3.158   1.459
  604    HA   CYS  85           HA       CYS  85  -0.423   1.178   2.163
  605   1HB   CYS  85          2HB       CYS  85  -0.856   2.744  -0.023
  606   2HB   CYS  85          1HB       CYS  85   0.582   3.513   0.639
  607    HG   CYS  85           HG       CYS  85   1.912   1.378   0.268
  608    H    CYS  86           H        CYS  86  -1.028   4.048   3.883
  609    HA   CYS  86           HA       CYS  86   1.850   4.413   4.568
  610   1HB   CYS  86          2HB       CYS  86   1.105   6.337   5.871
  611   2HB   CYS  86          1HB       CYS  86   0.497   6.414   4.215
  612    H    GLN  87           H        GLN  87  -1.160   3.343   6.124
  613    HA   GLN  87           HA       GLN  87   0.235   2.929   8.683
  614   1HB   GLN  87          2HB       GLN  87  -1.927   2.084   9.464
  615   2HB   GLN  87          1HB       GLN  87  -2.148   3.604   8.594
  616   1HG   GLN  87          2HG       GLN  87  -3.796   2.337   7.564
  617   2HG   GLN  87          1HG       GLN  87  -2.438   1.976   6.497
  618   1HE2  GLN  87          1HE2      GLN  87  -3.030  -0.174   5.940
  619   2HE2  GLN  87          2HE2      GLN  87  -3.124  -1.436   7.065
  620    H    ILE  88           H        ILE  88   1.026   1.385   6.162
  621    HA   ILE  88           HA       ILE  88   0.538  -1.398   7.200
  622    HB   ILE  88           HB       ILE  88   1.133  -0.379   4.398
  623   1HG1  ILE  88          2HG1      ILE  88  -0.989  -2.248   5.488
  624   2HG1  ILE  88          1HG1      ILE  88  -1.220  -0.512   5.302
  625   1HG2  ILE  88          1HG2      ILE  88   2.594  -2.245   4.559
  626   2HG2  ILE  88          2HG2      ILE  88   1.119  -2.905   3.854
  627   3HG2  ILE  88          3HG2      ILE  88   1.466  -3.145   5.566
  628   1HD1  ILE  88          1HD1      ILE  88  -0.192  -1.786   2.856
  629   2HD1  ILE  88          2HD1      ILE  88  -1.556  -0.688   3.075
  630   3HD1  ILE  88          3HD1      ILE  88  -1.755  -2.410   3.376
  631    H    ILE  89           H        ILE  89   2.320  -2.770   7.475
  632    HA   ILE  89           HA       ILE  89   5.025  -1.469   7.454
  633    HB   ILE  89           HB       ILE  89   3.806  -3.305   9.550
  634   1HG1  ILE  89          2HG1      ILE  89   3.051  -1.003   9.817
  635   2HG1  ILE  89          1HG1      ILE  89   4.217  -1.381  11.082
  636   1HG2  ILE  89          1HG2      ILE  89   6.085  -3.943   9.363
  637   2HG2  ILE  89          2HG2      ILE  89   6.026  -2.833  10.729
  638   3HG2  ILE  89          3HG2      ILE  89   6.617  -2.273   9.167
  639   1HD1  ILE  89          1HD1      ILE  89   4.498   0.445   8.726
  640   2HD1  ILE  89          2HD1      ILE  89   5.943  -0.369   9.324
  641   3HD1  ILE  89          3HD1      ILE  89   5.018   0.678  10.396
  642    H    MET  90           H        MET  90   6.422  -2.629   6.201
  643    HA   MET  90           HA       MET  90   5.658  -5.368   5.415
  644   1HB   MET  90          2HB       MET  90   6.691  -3.305   3.978
  645   2HB   MET  90          1HB       MET  90   8.180  -4.150   4.386
  646   1HG   MET  90          2HG       MET  90   7.204  -4.913   2.230
  647   2HG   MET  90          1HG       MET  90   7.322  -6.204   3.405
  648   1HE   MET  90          1HE       MET  90   5.704  -7.452   4.360
  649   2HE   MET  90          2HE       MET  90   5.310  -7.922   2.723
  650   3HE   MET  90          3HE       MET  90   4.022  -7.573   3.841
  651    H    THR  91           H        THR  91   7.251  -7.091   5.419
  652    HA   THR  91           HA       THR  91   9.442  -6.837   7.387
  653    HB   THR  91           HB       THR  91   8.643  -8.728   8.728
  654    HG1  THR  91           1HG      THR  91   6.128  -8.835   7.779
  655   1HG2  THR  91          1HG2      THR  91   7.851  -6.376   9.223
  656   2HG2  THR  91          2HG2      THR  91   6.822  -7.663   9.850
  657   3HG2  THR  91          3HG2      THR  91   6.350  -6.789   8.394
  658    HA   PRO  92           HA       PRO  92  11.356  -9.468   4.405
  659   1HB   PRO  92          2HB       PRO  92  12.921 -11.075   6.085
  660   2HB   PRO  92          1HB       PRO  92  13.386  -9.475   5.487
  661   1HG   PRO  92          2HG       PRO  92  12.242 -10.250   8.125
  662   2HG   PRO  92          1HG       PRO  92  13.459  -9.020   7.738
  663   1HD   PRO  92          2HD       PRO  92  10.900  -8.358   8.304
  664   2HD   PRO  92          1HD       PRO  92  11.858  -7.440   7.114
  665    H    GLU  93           H        GLU  93   9.761 -10.949   7.196
  666    HA   GLU  93           HA       GLU  93   9.700 -13.625   6.142
  667   1HB   GLU  93          2HB       GLU  93   7.767 -13.897   7.758
  668   2HB   GLU  93          1HB       GLU  93   9.260 -13.305   8.481
  669   1HG   GLU  93          2HG       GLU  93   8.446 -11.053   8.535
  670   2HG   GLU  93          1HG       GLU  93   7.064 -11.465   7.517
  671    H    LEU  94           H        LEU  94   7.698 -10.788   5.611
  672    HA   LEU  94           HA       LEU  94   5.766 -12.422   4.052
  673   1HB   LEU  94          2HB       LEU  94   5.654  -9.788   5.417
  674   2HB   LEU  94          1HB       LEU  94   4.774  -9.842   3.914
  675    HG   LEU  94           HG       LEU  94   4.434 -11.904   6.106
  676   1HD1  LEU  94          1HD1      LEU  94   2.533 -10.724   6.893
  677   2HD1  LEU  94          2HD1      LEU  94   2.505  -9.661   5.491
  678   3HD1  LEU  94          3HD1      LEU  94   3.770  -9.481   6.706
  679   1HD2  LEU  94          1HD2      LEU  94   2.272 -11.356   4.143
  680   2HD2  LEU  94          2HD2      LEU  94   2.861 -12.884   4.775
  681   3HD2  LEU  94          3HD2      LEU  94   3.708 -12.092   3.460
  682    H    ASP  95           H        ASP  95   8.507 -11.903   3.111
  683    HA   ASP  95           HA       ASP  95   8.554  -9.878   1.110
  684   1HB   ASP  95          2HB       ASP  95  10.481 -11.029   0.228
  685   2HB   ASP  95          1HB       ASP  95  10.533 -11.198   1.978
  686    H    GLY  96           H        GLY  96   7.849  -9.838  -1.007
  687   1HA   GLY  96          2HA       GLY  96   7.285 -11.034  -3.102
  688   2HA   GLY  96          1HA       GLY  96   6.559 -12.311  -2.132
  689    H    ILE  97           H        ILE  97   5.905  -9.300  -0.852
  690    HA   ILE  97           HA       ILE  97   3.092  -9.508  -1.292
  691    HB   ILE  97           HB       ILE  97   3.493  -8.348   0.656
  692   1HG1  ILE  97          2HG1      ILE  97   3.268  -5.920   0.458
  693   2HG1  ILE  97          1HG1      ILE  97   3.648  -5.984  -1.251
  694   1HG2  ILE  97          1HG2      ILE  97   5.938  -7.360  -0.742
  695   2HG2  ILE  97          2HG2      ILE  97   5.836  -8.407   0.642
  696   3HG2  ILE  97          3HG2      ILE  97   5.451  -6.703   0.787
  697   1HD1  ILE  97          1HD1      ILE  97   1.583  -7.693  -1.271
  698   2HD1  ILE  97          2HD1      ILE  97   1.321  -5.954  -1.319
  699   3HD1  ILE  97          3HD1      ILE  97   1.173  -6.831   0.194
  700    H    VAL  98           H        VAL  98   1.896  -8.884  -2.983
  701    HA   VAL  98           HA       VAL  98   3.117  -7.087  -5.042
  702    HB   VAL  98           HB       VAL  98   0.522  -8.599  -5.347
  703   1HG1  VAL  98          1HG1      VAL  98   1.136  -8.554  -7.708
  704   2HG1  VAL  98          2HG1      VAL  98   2.722  -7.885  -7.315
  705   3HG1  VAL  98          3HG1      VAL  98   1.269  -6.921  -7.055
  706   1HG2  VAL  98          1HG2      VAL  98   3.346  -9.674  -5.633
  707   2HG2  VAL  98          2HG2      VAL  98   1.921 -10.466  -6.312
  708   3HG2  VAL  98          3HG2      VAL  98   2.084 -10.280  -4.563
  709    H    VAL  99           H        VAL  99   2.446  -4.914  -4.994
  710    HA   VAL  99           HA       VAL  99  -0.144  -4.281  -3.648
  711    HB   VAL  99           HB       VAL  99   1.820  -2.171  -4.490
  712   1HG1  VAL  99          1HG1      VAL  99   0.165  -2.630  -1.994
  713   2HG1  VAL  99          2HG1      VAL  99  -0.245  -1.563  -3.339
  714   3HG1  VAL  99          3HG1      VAL  99   1.147  -1.200  -2.319
  715   1HG2  VAL  99          1HG2      VAL  99   3.313  -3.894  -3.575
  716   2HG2  VAL  99          2HG2      VAL  99   2.319  -3.989  -2.119
  717   3HG2  VAL  99          3HG2      VAL  99   3.200  -2.508  -2.499
  718    H    ASP 100           H        ASP 100  -1.758  -3.433  -4.879
  719    HA   ASP 100           HA       ASP 100  -1.188  -2.842  -7.754
  720   1HB   ASP 100          2HB       ASP 100  -3.382  -4.201  -6.348
  721   2HB   ASP 100          1HB       ASP 100  -3.924  -3.078  -7.595
  722    H    VAL 101           H        VAL 101  -1.138  -0.796  -8.278
  723    HA   VAL 101           HA       VAL 101  -2.514   1.221  -6.572
  724    HB   VAL 101           HB       VAL 101  -0.332   1.651  -8.622
  725   1HG1  VAL 101          1HG1      VAL 101  -1.404   3.398  -6.388
  726   2HG1  VAL 101          2HG1      VAL 101  -1.722   3.631  -8.101
  727   3HG1  VAL 101          3HG1      VAL 101  -0.084   3.819  -7.473
  728   1HG2  VAL 101          1HG2      VAL 101   0.556   0.256  -6.853
  729   2HG2  VAL 101          2HG2      VAL 101  -0.214   1.251  -5.617
  730   3HG2  VAL 101          3HG2      VAL 101   1.120   1.902  -6.576
  731    HA   PRO 102           HA       PRO 102  -5.125   1.607 -10.289
  732   1HB   PRO 102          2HB       PRO 102  -7.092   3.121  -9.268
  733   2HB   PRO 102          1HB       PRO 102  -6.864   1.448  -8.740
  734   1HG   PRO 102          2HG       PRO 102  -6.007   3.957  -7.396
  735   2HG   PRO 102          1HG       PRO 102  -6.782   2.511  -6.716
  736   1HD   PRO 102          2HD       PRO 102  -4.062   2.984  -6.590
  737   2HD   PRO 102          1HD       PRO 102  -4.797   1.364  -6.532
  738    H    ASP 103           H        ASP 103  -6.257   3.521 -11.404
  739    HA   ASP 103           HA       ASP 103  -4.295   5.687 -11.796
  740   1HB   ASP 103          2HB       ASP 103  -5.492   4.596 -13.723
  741   2HB   ASP 103          1HB       ASP 103  -6.998   5.294 -13.124
  742    H    ARG 104           H        ARG 104  -7.125   5.097  -9.964
  743    HA   ARG 104           HA       ARG 104  -7.619   8.016  -9.513
  744   1HB   ARG 104          2HB       ARG 104  -9.311   5.523  -9.167
  745   2HB   ARG 104          1HB       ARG 104  -9.780   7.080  -8.499
  746   1HG   ARG 104          2HG       ARG 104  -9.076   6.870 -11.426
  747   2HG   ARG 104          1HG       ARG 104 -10.657   6.323 -10.888
  748   1HD   ARG 104          2HD       ARG 104 -11.219   8.518 -11.296
  749   2HD   ARG 104          1HD       ARG 104 -10.598   8.765  -9.665
  750    HE   ARG 104           HE       ARG 104  -8.495   8.949 -11.654
  751   1HH1  ARG 104          1HH2      ARG 104 -11.111  10.577 -10.094
  752   2HH1  ARG 104          2HH2      ARG 104 -10.507  12.163 -10.450
  753   1HH2  ARG 104          1HH1      ARG 104  -7.713  11.012 -12.149
  754   2HH2  ARG 104          2HH1      ARG 104  -8.586  12.408 -11.615
  755    H    GLN 105           H        GLN 105  -5.681   7.952  -8.007
  756    HA   GLN 105           HA       GLN 105  -5.872   6.181  -5.677
  757   1HB   GLN 105          2HB       GLN 105  -3.833   7.303  -4.921
  758   2HB   GLN 105          1HB       GLN 105  -3.680   6.899  -6.631
  759   1HG   GLN 105          2HG       GLN 105  -2.930   9.117  -6.591
  760   2HG   GLN 105          1HG       GLN 105  -4.623   9.313  -7.040
  761   1HE2  GLN 105          1HE2      GLN 105  -3.902  11.576  -5.977
  762   2HE2  GLN 105          2HE2      GLN 105  -4.245  11.728  -4.321
  763    H    TRP 106           H        TRP 106  -7.010   9.326  -6.544
  764    HA   TRP 106           HA       TRP 106  -8.043  11.019  -5.277
  765   1HB   TRP 106          2HB       TRP 106  -9.699   9.211  -5.281
  766   2HB   TRP 106          1HB       TRP 106  -8.953   8.510  -3.856
  767    HD1  TRP 106           HD       TRP 106 -10.071   9.131  -1.713
  768    HE1  TRP 106           1HE      TRP 106 -11.574  11.084  -0.882
  769    HE3  TRP 106           3HE      TRP 106 -10.011  12.127  -5.844
  770    HZ2  TRP 106           2HZ      TRP 106 -12.535  13.584  -1.819
  771    HZ3  TRP 106           3HZ      TRP 106 -11.216  14.291  -5.842
  772    HH2  TRP 106           HH       TRP 106 -12.479  15.022  -3.838