*HEADER    LIPID BINDING PROTEIN                   23-JAN-01   1HZ8              
*TITLE     SOLUTION STRUCTURE AND BACKBONE DYNAMICS OF A CONCATEMER OF           
*TITLE    2 EGF-HOMOLOGY MODULES OF THE HUMAN LOW DENSITY LIPOPROTEIN            
*TITLE    3 RECEPTOR                                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: LOW DENSITY LIPOPROTEIN RECEPTOR;                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: EGF-AB CONCATEMER (RESIDUES 314-395);                      
*COMPND   5 SYNONYM: LDL RECEPTOR;                                               
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 TISSUE: LIVER;                                                       
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: DH5-ALPHA; BL21-DE3;                       
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PGEX-4T; PET-30A+                         
*KEYWDS    ANTI-PARALLEL BETA STRANDS, CALCIUM BINDING SITES                     
*EXPDTA    NMR, 30 STRUCTURES                                                    
*AUTHOR    N.D.KURNIAWAN, K.ALIABADIZADEH, I.M.BRERETON, P.A.KROON,              
*AUTHOR   2 R.SMITH                                                              
*REVDAT   1   15-AUG-01 1HZ8    0                                                

!    Residue  intra short med long
!    Total     354  289   96   89

assign  ( resid 2 and name HN ) ( resid 2 and name HA ) 0 0 2.7 ! 
assign  ( resid 2 and name HN ) ( resid 2 and name HB ) 0 0 2.7 ! 
assign  ( resid 2 and name HA ) ( resid 2 and name HG2* ) 0 0 3.7 ! 
assign  ( resid 2 and name HA ) ( resid 3 and name HN ) 0 0 2.7 ! 
assign  ( resid 2 and name HB ) ( resid 3 and name HN ) 0 0 3.5 ! 
assign  ( resid 2 and name HG2* ) ( resid 3 and name HN ) 0 0 6 ! 
assign  ( resid 2 and name HG2* ) ( resid 3 and name HA ) 0 0 6 ! 
assign  ( resid 2 and name HG2* ) ( resid 3 and name HB* ) 0 0 6.3 ! 
assign  ( resid 2 and name HG2* ) ( resid 4 and name HN ) 0 0 3.7
assign  ( resid 2 and name HG2* ) ( resid 23 and name HD* ) 0 0 6.5

                   
assign  ( resid 3 and name HN ) ( resid 3 and name HA ) 0 0 3.5
assign  ( resid 3 and name HN ) ( resid 3 and name HB2 ) 0 0 2.7 ! 
assign  ( resid 3 and name HN ) ( resid 3 and name HB1 ) 0 0 2.7 ! 
assign  ( resid 3 and name HN ) ( resid 4 and name HN ) 0 0 5.00
assign  ( resid 3 and name HN ) ( resid 6 and name HG ) 0 0 5 ! 
assign  ( resid 3 and name HA ) ( resid 3 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 3 and name HA ) ( resid 4 and name HN ) 0 0 2.7 ! 
assign  ( resid 3 and name HA ) ( resid 5 and name HN ) 0 0 3.5 ! 
assign  ( resid 3 and name HB2 ) ( resid 6 and name HD1* ) 0 0 6 ! 
assign  ( resid 3 and name HB1 ) ( resid 6 and name HD1* ) 0 0 6 ! 
                   
assign  ( resid 4 and name HN ) ( resid 4 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 4 and name HN ) ( resid 4 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 4 and name HN ) ( resid 4 and name HG2 ) 0 0 5 ! 
assign  ( resid 4 and name HN ) ( resid 4 and name HG1 ) 0 0 5 ! 
assign  ( resid 4 and name HN ) ( resid 5 and name HN ) 0 0 2.7 ! 
assign  ( resid 4 and name HA ) ( resid 4 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 4 and name HA ) ( resid 4 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 4 and name HA ) ( resid 5 and name HN ) 0 0 3.5 ! 
assign  ( resid 4 and name HB* ) ( resid 23 and name HD* ) 0 0 5.8 ! 
                   
assign  ( resid 5 and name HN ) ( resid 5 and name HA ) 0 0 2.7 ! 
assign  ( resid 5 and name HN ) ( resid 5 and name HB2 ) 0 0 3.50
assign  ( resid 5 and name HN ) ( resid 5 and name HB1 ) 0 0 3.50
assign  ( resid 5 and name HN ) ( resid 6 and name HN ) 0 0 2.7 ! 
assign  ( resid 5 and name HN ) ( resid 6 and name HB* ) 0 0 5.3 ! 
assign  ( resid 5 and name HN ) ( resid 6 and name HG ) 0 0 3.5 ! 
assign  ( resid 5 and name HN ) ( resid 6 and name HD2* ) 0 0 6 ! 
assign  ( resid 5 and name HN ) ( resid 7 and name HN ) 0 0 5 ! 
assign  ( resid 5 and name HA ) ( resid 5 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 5 and name HA ) ( resid 5 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 5 and name HA ) ( resid 9 and name HA ) 0 0 5 ! 
assign  ( resid 5 and name HA ) ( resid 10 and name HN ) 0 0 3.5 ! 
assign  ( resid 5 and name HB2 ) ( resid 6 and name HN ) 0 0 3.5 ! 
assign  ( resid 5 and name HB1 ) ( resid 6 and name HN ) 0 0 3.5 ! 
assign  ( resid 5 and name HB* ) ( resid 6 and name HD1* ) 0 0 7 ! 
assign  ( resid 5 and name HB* ) ( resid 6 and name HD2* ) 0 0 7 ! 
assign  ( resid 5 and name HB* ) ( resid 10 and name HN ) 0 0 6 ! 
assign  ( resid 5 and name HB* ) ( resid 16 and name HB* ) 0 0 5.5 ! 
                   
assign  ( resid 6 and name HN ) ( resid 6 and name HA ) 0 0 2.7 ! 
assign  ( resid 6 and name HN ) ( resid 6 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 6 and name HN ) ( resid 6 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 6 and name HN ) ( resid 6 and name HD1* ) 0 0 4.5 ! 
assign  ( resid 6 and name HN ) ( resid 6 and name HD2* ) 0 0 4.5 ! 
assign  ( resid 6 and name HA ) ( resid 6 and name HG ) 0 0 5 ! 
assign  ( resid 6 and name HA ) ( resid 6 and name HD1* ) 0 0 4.5 ! 
assign  ( resid 6 and name HA ) ( resid 6 and name HD2* ) 0 0 3.7 ! 
assign  ( resid 6 and name HA ) ( resid 7 and name HN ) 0 0 3.5 ! 
assign  ( resid 6 and name HB2 ) ( resid 7 and name HN ) 0 0 3.5 ! 
assign  ( resid 6 and name HB1 ) ( resid 7 and name HN ) 0 0 3.5 !
                   
assign  ( resid 7 and name HN ) ( resid 7 and name HA ) 0 0 3.5 ! 
assign  ( resid 7 and name HN ) ( resid 7 and name HB2 ) 0 0 2.7 ! 
assign  ( resid 7 and name HN ) ( resid 7 and name HB1 ) 0 0 2.7 ! 
assign  ( resid 7 and name HN ) ( resid 8 and name HN ) 0 0 5 ! 
assign  ( resid 7 and name HN ) ( resid 10 and name HN ) 0 0 5 ! 
assign  ( resid 7 and name HA ) ( resid 7 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 7 and name HA ) ( resid 7 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 7 and name HA ) ( resid 8 and name HN ) 0 0 2.7 ! 
assign  ( resid 7 and name HB1 ) ( resid 8 and name HN ) 0 0 2.7 !
assign  ( resid 7 and name HB1 ) ( resid 10 and name HN ) 0 0 5 ! 
                   
assign  ( resid 8 and name HN ) ( resid 8 and name HA ) 0 0 2.7 ! 
assign  ( resid 8 and name HN ) ( resid 8 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 8 and name HN ) ( resid 8 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 8 and name HN ) ( resid 8 and name HD2* ) 0 0 5.3 ! 
assign  ( resid 8 and name HN ) ( resid 9 and name HN ) 0 0 5 ! 
assign  ( resid 8 and name HA ) ( resid 8 and name HB2 ) 0 0 2.7 ! 
assign  ( resid 8 and name HA ) ( resid 8 and name HB1 ) 0 0 2.7 ! 
assign  ( resid 8 and name HA ) ( resid 9 and name HN ) 0 0 3.5 ! 
assign  ( resid 8 and name HB2 ) ( resid 9 and name HN ) 0 0 5 ! 
assign  ( resid 8 and name HB2 ) ( resid 11 and name HN ) 0 0 5 ! 
assign  ( resid 8 and name HB1 ) ( resid 9 and name HN ) 0 0 5 ! 
assign  ( resid 8 and name HB1 ) ( resid 11 and name HN ) 0 0 5 ! 
                   
assign  ( resid 9 and name HN ) ( resid 9 and name HA ) 0 0 2.7 ! 
assign  ( resid 9 and name HN ) ( resid 9 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 9 and name HN ) ( resid 9 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 9 and name HN ) ( resid 10 and name HN ) 0 0 5 ! 
assign  ( resid 9 and name HN ) ( resid 13 and name HB* ) 0 0 3.8 ! 
assign  ( resid 9 and name HA ) ( resid 9 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 9 and name HA ) ( resid 9 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 9 and name HA ) ( resid 10 and name HN ) 0 0 3.5 ! 
assign  ( resid 9 and name HB* ) ( resid 10 and name HN ) 0 0 5.3 ! 
assign  ( resid 9 and name HB2 ) ( resid 12 and name HN ) 0 0 5 ! 
assign  ( resid 9 and name HB1 ) ( resid 12 and name HN ) 0 0 5.00
assign  ( resid 9 and name HD2* ) ( resid 12 and name HN ) 0 0 5.3 ! 
assign  ( resid 9 and name HD2* ) ( resid 12 and name HB* ) 0 0 6.3 ! 
                   
assign  ( resid 10 and name HN ) ( resid 10 and name HA2 ) 0 0 2.7 ! 
assign  ( resid 10 and name HN ) ( resid 10 and name HA1 ) 0 0 2.7 ! 
assign  ( resid 10 and name HN ) ( resid 11 and name HN ) 0 0 2.7 ! 
assign  ( resid 10 and name HN ) ( resid 12 and name HN ) 0 0 5 ! 
assign  ( resid 10 and name HA2 ) ( resid 11 and name HN ) 0 0 5 !
assign  ( resid 10 and name HA2 ) ( resid 12 and name HN ) 0 0 5 !
assign  ( resid 10 and name HA2 ) ( resid 23 and name HD* ) 0 0 5.5 !
assign  ( resid 10 and name HA1 ) ( resid 11 and name HN ) 0 0 5 !
assign  ( resid 10 and name HA1 ) ( resid 12 and name HN ) 0 0 5 !
assign  ( resid 10 and name HA1 ) ( resid 23 and name HD* ) 0 0 5.5 !
assign  ( resid 10 and name HA* ) ( resid 12 and name HN ) 0 0 4.5 !
                  
assign  ( resid 11 and name HN ) ( resid 11 and name HA2 ) 0 0 2.7 !
assign  ( resid 11 and name HN ) ( resid 11 and name HA1 ) 0 0 3.5 !
assign  ( resid 11 and name HN ) ( resid 12 and name HN ) 0 0 2.7 !
assign  ( resid 11 and name HN ) ( resid 12 and name HB1 ) 0 0 5 !
assign  ( resid 11 and name HA2 ) ( resid 12 and name HN ) 0 0 3.5 !
assign  ( resid 11 and name HA1 ) ( resid 12 and name HN ) 0 0 3.5 !
                  
assign  ( resid 12 and name HN ) ( resid 12 and name HB2 ) 0 0 3.5 
assign  ( resid 12 and name HN ) ( resid 12 and name HB1 ) 0 0 3.5 
assign  ( resid 12 and name HN ) ( resid 13 and name HN ) 0 0 5.0
assign  ( resid 12 and name HA ) ( resid 13 and name HN ) 0 0 3.5 ! 
assign  ( resid 12 and name HB2 ) ( resid 13 and name HN ) 0 0 5 ! 
assign  ( resid 12 and name HB1 ) ( resid 13 and name HN ) 0 0 5 ! 
assign  ( resid 12 and name HB2 ) ( resid 14 and name HN ) 0 0 3.5 ! 
                   
assign  ( resid 13 and name HN ) ( resid 14 and name HN ) 0 0 3.5 !
assign  ( resid 13 and name HA ) ( resid 14 and name HN ) 0 0 2.7 ! 
                   
assign  ( resid 14 and name HN ) ( resid 14 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 14 and name HN ) ( resid 14 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 14 and name HN ) ( resid 15 and name HN ) 0 0 3.5 !
assign  ( resid 14 and name HA ) ( resid 14 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 14 and name HA ) ( resid 14 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 14 and name HA ) ( resid 14 and name HD1 ) 0 0 5 ! 
assign  ( resid 14 and name HA ) ( resid 15 and name HN ) 0 0 3.5 !
assign  ( resid 14 and name HB2 ) ( resid 14 and name HD1 ) 0 0 3.5 !
assign  ( resid 14 and name HB2 ) ( resid 15 and name HN ) 0 0 2.7 !
assign  ( resid 14 and name HB2 ) ( resid 15 and name HG** ) 0 0 7.4 !
assign  ( resid 14 and name HB1 ) ( resid 14 and name HD1 ) 0 0 3.5 !
assign  ( resid 14 and name HB1 ) ( resid 15 and name HN ) 0 0 2.7 !
assign  ( resid 14 and name HB1 ) ( resid 15 and name HG** ) 0 0 7.4 !
assign  ( resid 14 and name HB* ) ( resid 27 and name HA ) 0 0 5.3 !
assign  ( resid 14 and name HE2 ) ( resid 28 and name HG* ) 0 0 4.5 !
                  
assign  ( resid 15 and name HN ) ( resid 15 and name HB ) 0 0 2.7 !
assign  ( resid 15 and name HN ) ( resid 15 and name HG** ) 0 0 5.1 !
assign  ( resid 15 and name HN ) ( resid 26 and name HB* ) 0 0 5.3 !
assign  ( resid 15 and name HN ) ( resid 27 and name HA ) 0 0 5 !
assign  ( resid 15 and name HA ) ( resid 16 and name HN ) 0 0 2.7 !
assign  ( resid 15 and name HG** ) ( resid 16 and name HN ) 0 0 5.1 ! 
assign  ( resid 15 and name HG** ) ( resid 17 and name HB2 ) 0 0 5.1 ! 
assign  ( resid 15 and name HG** ) ( resid 17 and name HB1 ) 0 0 5.1 ! 
assign  ( resid 15 and name HG** ) ( resid 26 and name HA ) 0 0 5.9 ! 
                   
assign  ( resid 16 and name HN ) ( resid 16 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 16 and name HN ) ( resid 16 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 16 and name HA ) ( resid 17 and name HN ) 0 0 2.7 ! 
assign  ( resid 16 and name HA ) ( resid 25 and name HA ) 0 0 5 ! 
assign  ( resid 16 and name HA ) ( resid 26 and name HN ) 0 0 5 ! 
assign  ( resid 16 and name HB1 ) ( resid 17 and name HN ) 0 0 5 ! 
                   
assign  ( resid 17 and name HN ) ( resid 17 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 17 and name HN ) ( resid 17 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 17 and name HN ) ( resid 23 and name HD* ) 0 0 7 ! 
assign  ( resid 17 and name HN ) ( resid 24 and name HN ) 0 0 3.5 ! 
assign  ( resid 17 and name HN ) ( resid 24 and name HG* ) 0 0 5.3 ! 
assign  ( resid 17 and name HN ) ( resid 25 and name HA ) 0 0 5 ! 
assign  ( resid 17 and name HN ) ( resid 26 and name HN ) 0 0 5 ! 
assign  ( resid 17 and name HN ) ( resid 26 and name HD1* ) 0 0 6 ! 
assign  ( resid 17 and name HA ) ( resid 17 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 17 and name HA ) ( resid 18 and name HN ) 0 0 2.7 ! 
assign  ( resid 17 and name HA ) ( resid 18 and name HB2 ) 0 0 5 ! 
assign  ( resid 17 and name HA ) ( resid 18 and name HB1 ) 0 0 5 ! 
assign  ( resid 17 and name HB2 ) ( resid 18 and name HN ) 0 0 5 ! 
assign  ( resid 17 and name HB1 ) ( resid 24 and name HA ) 0 0 5 ! 
assign  ( resid 17 and name HD21 ) ( resid 24 and name HN ) 0 0 5 ! 
assign  ( resid 17 and name HD21 ) ( resid 26 and name HD1* ) 0 0 3.7 ! 
assign  ( resid 17 and name HD22 ) ( resid 24 and name HN ) 0 0 5 ! 
assign  ( resid 17 and name HD22 ) ( resid 26 and name HD1* ) 0 0 3.7 ! 
                   
assign  ( resid 18 and name HN ) ( resid 18 and name HB2 ) 0 0 2.7 ! 
assign  ( resid 18 and name HN ) ( resid 18 and name HB1 ) 0 0 2.7 ! 
assign  ( resid 18 and name HN ) ( resid 19 and name HN ) 0 0 5 ! 
assign  ( resid 18 and name HN ) ( resid 26 and name HD** ) 0 0 7.4 ! 
assign  ( resid 18 and name HA ) ( resid 18 and name HB* ) 0 0 3.7 ! 
assign  ( resid 18 and name HA ) ( resid 19 and name HN ) 0 0 2.7 ! 
assign  ( resid 18 and name HA ) ( resid 19 and name HB* ) 0 0 5.3 ! 
assign  ( resid 18 and name HA ) ( resid 23 and name HB2 ) 0 0 5 ! 
assign  ( resid 18 and name HA ) ( resid 23 and name HB1 ) 0 0 5 ! 
assign  ( resid 18 and name HA ) ( resid 23 and name HD* ) 0 0 5.5 ! 
                   
assign  ( resid 19 and name HN ) ( resid 19 and name HB2 ) 0 0 2.7 ! 
assign  ( resid 19 and name HN ) ( resid 19 and name HB1 ) 0 0 2.7 ! 
assign  ( resid 19 and name HN ) ( resid 19 and name HD1* ) 0 0 4.5 ! 
assign  ( resid 19 and name HN ) ( resid 19 and name HD2* ) 0 0 6 ! 
assign  ( resid 19 and name HN ) ( resid 20 and name HN ) 0 0 5 ! 
assign  ( resid 19 and name HN ) ( resid 23 and name HA ) 0 0 2.7 ! 
assign  ( resid 19 and name HN ) ( resid 23 and name HB2 ) 0 0 5 ! 
assign  ( resid 19 and name HN ) ( resid 23 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 19 and name HN ) ( resid 23 and name HD* ) 0 0 7 ! 
assign  ( resid 19 and name HN ) ( resid 24 and name HN ) 0 0 3.5 ! 
assign  ( resid 19 and name HA ) ( resid 19 and name HB* ) 0 0 5.3 ! 
assign  ( resid 19 and name HA ) ( resid 19 and name HD1* ) 0 0 6 ! 
assign  ( resid 19 and name HA ) ( resid 19 and name HD2* ) 0 0 6 ! 
assign  ( resid 19 and name HA ) ( resid 20 and name HN ) 0 0 2.7 ! 
assign  ( resid 19 and name HA ) ( resid 21 and name HN ) 0 0 5 ! 
assign  ( resid 19 and name HB2 ) ( resid 23 and name HA ) 0 0 3.5 ! 
assign  ( resid 19 and name HB2 ) ( resid 23 and name HD* ) 0 0 4.7 ! 
assign  ( resid 19 and name HB2 ) ( resid 23 and name HE* ) 0 0 7 ! 
assign  ( resid 19 and name HB2 ) ( resid 24 and name HN ) 0 0 5 !
assign  ( resid 19 and name HB1 ) ( resid 23 and name HA ) 0 0 2.5 ! 
assign  ( resid 19 and name HB1 ) ( resid 23 and name HD* ) 0 0 4.7 ! 
assign  ( resid 19 and name HB1 ) ( resid 23 and name HE* ) 0 0 7 ! 
assign  ( resid 19 and name HB* ) ( resid 20 and name HN ) 0 0 3.8 ! 
assign  ( resid 19 and name HB* ) ( resid 23 and name HN ) 0 0 5.3 ! 
assign  ( resid 19 and name HD1* ) ( resid 24 and name HN ) 0 0 6 ! 
assign  ( resid 19 and name HD2* ) ( resid 23 and name HN ) 0 0 4.5 ! 
assign  ( resid 19 and name HD2* ) ( resid 24 and name HN ) 0 0 6 ! 
assign  ( resid 19 and name HD** ) ( resid 20 and name HN ) 0 0 5.9 ! 
assign  ( resid 19 and name HD** ) ( resid 21 and name HN ) 0 0 5.9 ! 
assign  ( resid 19 and name HD** ) ( resid 23 and name HA ) 0 0 5.9 ! 
                   
assign  ( resid 20 and name HN ) ( resid 20 and name HA ) 0 0 3.5 ! 
assign  ( resid 20 and name HN ) ( resid 20 and name HB* ) 0 0 3 ! 
assign  ( resid 20 and name HN ) ( resid 20 and name HG2 ) 0 0 3.5 ! 
assign  ( resid 20 and name HN ) ( resid 20 and name HG1 ) 0 0 3.5 ! 
assign  ( resid 20 and name HN ) ( resid 21 and name HN ) 0 0 2.7 ! 
assign  ( resid 20 and name HA ) ( resid 20 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 20 and name HA ) ( resid 20 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 20 and name HA ) ( resid 20 and name HG2 ) 0 0 5 ! 
assign  ( resid 20 and name HA ) ( resid 20 and name HG1 ) 0 0 5 ! 
assign  ( resid 20 and name HA ) ( resid 20 and name HD* ) 0 0 5.3 ! 
assign  ( resid 20 and name HA ) ( resid 21 and name HN ) 0 0 5 ! 
assign  ( resid 20 and name HG* ) ( resid 21 and name HN ) 0 0 3 ! 
                   
assign  ( resid 21 and name HN ) ( resid 21 and name HA ) 0 0 3.5 ! 
assign  ( resid 21 and name HN ) ( resid 21 and name HB ) 0 0 2.7 ! 
assign  ( resid 21 and name HN ) ( resid 21 and name HG2* ) 0 0 4.5 ! 
assign  ( resid 21 and name HN ) ( resid 21 and name HG12 ) 0 0 5.00!
assign  ( resid 21 and name HN ) ( resid 21 and name HG11 ) 0 0 3.5 ! 
assign  ( resid 21 and name HA ) ( resid 22 and name HN ) 0 0 2.7 ! 
assign  ( resid 21 and name HA ) ( resid 23 and name HD* ) 0 0 5.5 ! 
assign  ( resid 21 and name HA ) ( resid 23 and name HE* ) 0 0 4.7 ! 
assign  ( resid 21 and name HG2* ) ( resid 22 and name HN ) 0 0 4.5 ! 
                   
assign  ( resid 22 and name HN ) ( resid 22 and name HA2 ) 0 0 2.7 ! 
assign  ( resid 22 and name HN ) ( resid 22 and name HA1 ) 0 0 2.7 ! 
assign  ( resid 22 and name HN ) ( resid 23 and name HN ) 0 0 3.5 ! 
assign  ( resid 22 and name HN ) ( resid 23 and name HN ) 0 0 3.5 ! 
assign  ( resid 22 and name HA2 ) ( resid 23 and name HN ) 0 0 3.5 ! 
assign  ( resid 22 and name HA2 ) ( resid 23 and name HD* ) 0 0 7 ! 
assign  ( resid 22 and name HA1 ) ( resid 23 and name HN ) 0 0 3.5 ! 
assign  ( resid 22 and name HA1 ) ( resid 23 and name HD* ) 0 0 7 ! 
                   
assign  ( resid 23 and name HN ) ( resid 23 and name HA ) 0 0 3.5 ! 
assign  ( resid 23 and name HN ) ( resid 23 and name HD* ) 0 0 5.5 ! 
assign  ( resid 23 and name HA ) ( resid 23 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 23 and name HA ) ( resid 23 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 23 and name HA ) ( resid 23 and name HD* ) 0 0 7 ! 
assign  ( resid 23 and name HA ) ( resid 24 and name HN ) 0 0 2.7 ! 
assign  ( resid 23 and name HB2 ) ( resid 23 and name HD* ) 0 0 3.7 ! 
assign  ( resid 23 and name HB2 ) ( resid 24 and name HN ) 0 0 3.5 ! 
assign  ( resid 23 and name HB1 ) ( resid 23 and name HD* ) 0 0 3.7 ! 
assign  ( resid 23 and name HB1 ) ( resid 24 and name HN ) 0 0 3.5 ! 
assign  ( resid 23 and name HB* ) ( resid 24 and name HN ) 0 0 3.02 ! 
assign  ( resid 23 and name HD* ) ( resid 24 and name HN ) 0 0 4.7 ! 
                   
assign  ( resid 24 and name HN ) ( resid 24 and name HA ) 0 0 3.5 ! 
assign  ( resid 24 and name HN ) ( resid 24 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 24 and name HN ) ( resid 24 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 24 and name HN ) ( resid 24 and name HG* ) 0 0 5.3 ! 
assign  ( resid 24 and name HN ) ( resid 25 and name HN ) 0 0 5 ! 
assign  ( resid 24 and name HA ) ( resid 24 and name HB* ) 0 0 4.5 ! 
assign  ( resid 24 and name HA ) ( resid 25 and name HN ) 0 0 2.7 ! 
assign  ( resid 24 and name HB2 ) ( resid 25 and name HN ) 0 0 3.5 ! 
assign  ( resid 24 and name HB1 ) ( resid 25 and name HN ) 0 0 3.5 ! 
assign  ( resid 24 and name HG* ) ( resid 25 and name HN ) 0 0 6 ! 
                   
assign  ( resid 25 and name HN ) ( resid 25 and name HA ) 0 0 2.7 ! 
assign  ( resid 25 and name HN ) ( resid 25 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 25 and name HN ) ( resid 25 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 25 and name HA ) ( resid 26 and name HN ) 0 0 2.7 ! 
assign  ( resid 25 and name HB2 ) ( resid 26 and name HN ) 0 0 5 ! 
assign  ( resid 25 and name HB1 ) ( resid 26 and name HN ) 0 0 5 ! 
assign  ( resid 25 and name HB1 ) ( resid 33 and name HD** ) 0 0 5.1 ! 
                   
assign  ( resid 26 and name HN ) ( resid 26 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 26 and name HN ) ( resid 26 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 26 and name HN ) ( resid 26 and name HG ) 0 0 5 ! 
assign  ( resid 26 and name HN ) ( resid 26 and name HD** ) 0 0 5.9 ! 
assign  ( resid 26 and name HN ) ( resid 27 and name HN ) 0 0 5 ! 
assign  ( resid 26 and name HA ) ( resid 27 and name HN ) 0 0 2.7 ! 
assign  ( resid 26 and name HB2 ) ( resid 27 and name HN ) 0 0 2.7 ! 
assign  ( resid 26 and name HB1 ) ( resid 27 and name HN ) 0 0 2.7 ! 
assign  ( resid 26 and name HG ) ( resid 27 and name HN ) 0 0 5 !
assign  ( resid 26 and name HD** ) ( resid 27 and name HN ) 0 0 5.1 ! 
                   
assign  ( resid 27 and name HN ) ( resid 27 and name HB2 ) 0 0 2.7 ! 
assign  ( resid 27 and name HN ) ( resid 27 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 27 and name HN ) ( resid 33 and name HD1* ) 0 0 4.5 ! 
assign  ( resid 27 and name HA ) ( resid 27 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 27 and name HA ) ( resid 28 and name HD2 ) 0 0 3.5 ! 
assign  ( resid 27 and name HA ) ( resid 28 and name HD1 ) 0 0 3.5 ! 
                   
assign  ( resid 28 and name HA ) ( resid 29 and name HN ) 0 0 3.5 !
assign  ( resid 28 and name HB2 ) ( resid 29 and name HN ) 0 0 3.5!2.7 ! 
assign  ( resid 28 and name HB1 ) ( resid 29 and name HN ) 0 0 3.5!2.7 ! 
                   
assign  ( resid 29 and name HN ) ( resid 29 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 29 and name HN ) ( resid 29 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 29 and name HN ) ( resid 30 and name HN ) 0 0 5
assign  ( resid 29 and name HA ) ( resid 30 and name HN ) 0 0 3.5!2.7 ! 
assign  ( resid 29 and name HA ) ( resid 31 and name HN ) 0 0 5 ! 3.5
assign  ( resid 29 and name HB2 ) ( resid 30 and name HN ) 0 0 3.5 ! 
assign  ( resid 29 and name HB1 ) ( resid 30 and name HN ) 0 0 3.5 ! 
assign  ( resid 29 and name HB* ) ( resid 31 and name HN ) 0 0 5.3
                   
assign  ( resid 30 and name HN ) ( resid 30 and name HA2 ) 0 0 2.7 ! 
assign  ( resid 30 and name HN ) ( resid 30 and name HA1 ) 0 0 2.7 ! 
assign  ( resid 30 and name HN ) ( resid 31 and name HN ) 0 0 3.5 ! 
assign  ( resid 30 and name HA2 ) ( resid 31 and name HN ) 0 0 3.5 
assign  ( resid 30 and name HA1 ) ( resid 31 and name HN ) 0 0 3.5 
                   
assign  ( resid 31 and name HN ) ( resid 31 and name HA ) 0 0 5 ! 
assign  ( resid 31 and name HN ) ( resid 31 and name HD* ) 0 0 4.7 ! 
assign  ( resid 31 and name HN ) ( resid 31 and name HB2 ) 0 0 3.5 !
assign  ( resid 31 and name HN ) ( resid 31 and name HB1 ) 0 0 3.5 !
assign  ( resid 31 and name HN ) ( resid 32 and name HN ) 0 0 5
assign  ( resid 31 and name HN ) ( resid 59 and name HG* ) 0 0 5.3
assign  ( resid 31 and name HA ) ( resid 31 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 31 and name HA ) ( resid 31 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 31 and name HA ) ( resid 31 and name HD* ) 0 0 5.5 ! 
assign  ( resid 31 and name HA ) ( resid 32 and name HN ) 0 0 2.7 ! 
assign  ( resid 31 and name HA ) ( resid 41 and name HA ) 0 0 3.5
assign  ( resid 31 and name HA ) ( resid 42 and name HN ) 0 0 5
assign  ( resid 31 and name HB2 ) ( resid 31 and name HD* ) 0 0 5.5 ! 
assign  ( resid 31 and name HB2 ) ( resid 31 and name HE* ) 0 0 5.5 ! 
assign  ( resid 31 and name HB2 ) ( resid 32 and name HN ) 0 0 3.5 ! 
assign  ( resid 31 and name HB1 ) ( resid 31 and name HD* ) 0 0 5.5 ! 
assign  ( resid 31 and name HB1 ) ( resid 31 and name HE* ) 0 0 5.5 ! 
assign  ( resid 31 and name HB1 ) ( resid 32 and name HN ) 0 0 3.5 ! 
assign  ( resid 31 and name HD* ) ( resid 32 and name HN ) 0 0 5.5 ! 
assign  ( resid 31 and name HD* ) ( resid 39 and name HA ) 0 0 7
assign  ( resid 31 and name HD* ) ( resid 40 and name HA ) 0 0 5.5
assign  ( resid 31 and name HD* ) ( resid 40 and name HG* ) 0 0 5.1
assign  ( resid 31 and name HD* ) ( resid 59 and name HA ) 0 0 7
assign  ( resid 31 and name HD* ) ( resid 59 and name HG* ) 0 0 6
assign  ( resid 31 and name HD* ) ( resid 60 and name HN ) 0 0 7
assign  ( resid 31 and name HE* ) ( resid 32 and name HN ) 0 0 7 ! 
assign  ( resid 31 and name HE* ) ( resid 40 and name HA ) 0 0 7
assign  ( resid 31 and name HE* ) ( resid 41 and name HN ) 0 0 7
assign  ( resid 31 and name HE* ) ( resid 59 and name HA ) 0 0 7
assign  ( resid 31 and name HE* ) ( resid 59 and name HB* ) 0 0 7.3
assign  ( resid 31 and name HE* ) ( resid 59 and name HG* ) 0 0 5
assign  ( resid 31 and name HE* ) ( resid 60 and name HN ) 0 0 5.5
assign  ( resid 31 and name HE* ) ( resid 60 and name HA* ) 0 0 5.8
assign  ( resid 31 and name HE* ) ( resid 61 and name HN ) 0 0 7
assign  ( resid 31 and name HZ ) ( resid 59 and name HA ) 0 0 5
assign  ( resid 31 and name HZ ) ( resid 59 and name HB1 ) 0 0 5
assign  ( resid 31 and name HZ ) ( resid 59 and name HB2 ) 0 0 5
assign  ( resid 31 and name HZ ) ( resid 59 and name HG* ) 0 0 3.8
assign  ( resid 31 and name HZ ) ( resid 60 and name HN ) 0 0 3.5
assign  ( resid 31 and name HZ ) ( resid 60 and name HA* ) 0 0 5.3
                  
assign  ( resid 32 and name HN ) ( resid 32 and name HA ) 0 0 3.5
assign  ( resid 32 and name HN ) ( resid 32 and name HB2 ) 0 0 3.5 !
assign  ( resid 32 and name HN ) ( resid 32 and name HB1 ) 0 0 3.5 !
assign  ( resid 32 and name HN ) ( resid 32 and name HG1 ) 0 0 5
assign  ( resid 32 and name HN ) ( resid 32 and name HG2 ) 0 0 5
assign  ( resid 32 and name HN ) ( resid 39 and name HA ) 0 0 5
assign  ( resid 32 and name HA ) ( resid 33 and name HN ) 0 0 2.7 !
assign  ( resid 32 and name HB* ) ( resid 33 and name HN ) 0 0 3.8 !
                  
assign  ( resid 33 and name HN ) ( resid 33 and name HA ) 0 0 3.5 !
assign  ( resid 33 and name HN ) ( resid 33 and name HB2 ) 0 0 2.7 !
assign  ( resid 33 and name HN ) ( resid 33 and name HB1 ) 0 0 2.7 !
assign  ( resid 33 and name HN ) ( resid 33 and name HG ) 0 0 5 !
assign  ( resid 33 and name HN ) ( resid 33 and name HD1* ) 0 0 6 !
assign  ( resid 33 and name HN ) ( resid 33 and name HD2* ) 0 0 6 !
assign  ( resid 33 and name HA ) ( resid 33 and name HG ) 0 0 3.5 !
assign  ( resid 33 and name HA ) ( resid 33 and name HD** ) 0 0 5.1 !
assign  ( resid 33 and name HA ) ( resid 34 and name HN ) 0 0 3.5 ! 
assign  ( resid 33 and name HA ) ( resid 40 and name HN ) 0 0 5 ! 
assign  ( resid 33 and name HA ) ( resid 39 and name HN ) 0 0 5
assign  ( resid 33 and name HG ) ( resid 34 and name HN ) 0 0 5 ! 
assign  ( resid 33 and name HG ) ( resid 36 and name HN ) 0 0 5 ! 
assign  ( resid 33 and name HG ) ( resid 38 and name HN ) 0 0 5 
assign  ( resid 33 and name HD1* ) ( resid 34 and name HN ) 0 0 6 ! 
assign  ( resid 33 and name HD1* ) ( resid 37 and name HN ) 0 0 6 ! 
assign  ( resid 33 and name HD1* ) ( resid 37 and name HA ) 0 0 6 ! 
assign  ( resid 33 and name HD1* ) ( resid 38 and name HN ) 0 0 6 ! 
assign  ( resid 33 and name HD1* ) ( resid 39 and name HA ) 0 0 6 ! 
assign  ( resid 33 and name HD2* ) ( resid 36 and name HN ) 0 0 6 ! 
assign  ( resid 33 and name HD2* ) ( resid 37 and name HN ) 0 0 6 ! 
assign  ( resid 33 and name HD2* ) ( resid 38 and name HN ) 0 0 6 !
assign  ( resid 33 and name HD** ) ( resid 37 and name HB* ) 0 0 5.8 ! 
                   
assign  ( resid 34 and name HN ) ( resid 34 and name HB ) 0 0 3.5 ! 
assign  ( resid 34 and name HN ) ( resid 34 and name HG** ) 0 0 5.9 !
assign  ( resid 34 and name HA ) ( resid 34 and name HG1* ) 0 0 3.7 ! 
assign  ( resid 34 and name HA ) ( resid 34 and name HG2* ) 0 0 3.7 ! 
assign  ( resid 34 and name HA ) ( resid 35 and name HN ) 0 0 3.5!
assign  ( resid 34 and name HA ) ( resid 36 and name HN ) 0 0 5 ! 
assign  ( resid 34 and name HB ) ( resid 35 and name HN ) 0 0 5 ! 
assign  ( resid 34 and name HG** ) ( resid 35 and name HN ) 0 0 5.9 ! 
assign  ( resid 34 and name HG** ) ( resid 35 and name HA ) 0 0 7.4 ! 
                   
assign  ( resid 35 and name HN ) ( resid 35 and name HA ) 0 0 2.7 ! 
assign  ( resid 35 and name HN ) ( resid 36 and name HN ) 0 0 3.5 ! 
assign  ( resid 35 and name HA ) ( resid 35 and name HB* ) 0 0 3.7 ! 
assign  ( resid 35 and name HA ) ( resid 36 and name HN ) 0 0 2.7 ! 3.5 ! 
assign  ( resid 35 and name HA ) ( resid 37 and name HN ) 0 0 5 ! 
assign  ( resid 35 and name HB* ) ( resid 36 and name HN ) 0 0 4.5 ! 
assign  ( resid 35 and name HB* ) ( resid 37 and name HN ) 0 0 6.00! 
                   
assign  ( resid 36 and name HN ) ( resid 36 and name HA ) 0 0 2.7 ! 
assign  ( resid 36 and name HN ) ( resid 36 and name HB2 ) 0 0 5.0 !  
assign  ( resid 36 and name HN ) ( resid 36 and name HB1 ) 0 0 5.0 !
assign  ( resid 36 and name HN ) ( resid 36 and name HG* ) 0 0 3.8 ! 
assign  ( resid 36 and name HN ) ( resid 37 and name HN ) 0 0 5 ! 
assign  ( resid 36 and name HA ) ( resid 37 and name HN ) 0 0 5 ! 
assign  ( resid 36 and name HB* ) ( resid 37 and name HD* ) 0 0 4.8 ! 
                   
assign  ( resid 37 and name HN ) ( resid 37 and name HB* ) 0 0 3.8 ! 
assign  ( resid 37 and name HN ) ( resid 38 and name HN ) 0 0 2.7 ! 
assign  ( resid 37 and name HA ) ( resid 37 and name HB2 ) 0 0 3.5 !
assign  ( resid 37 and name HA ) ( resid 37 and name HB1 ) 0 0 3.5 !
assign  ( resid 37 and name HA ) ( resid 37 and name HD* ) 0 0 3.8 !
assign  ( resid 37 and name HA ) ( resid 38 and name HN ) 0 0 5 !
assign  ( resid 37 and name HB2 ) ( resid 37 and name HD* ) 0 0 3.8 !
assign  ( resid 37 and name HB1 ) ( resid 37 and name HD* ) 0 0 3.8 !
                  
assign  ( resid 38 and name HN ) ( resid 38 and name HB2 ) 0 0 3.5 !
assign  ( resid 38 and name HN ) ( resid 38 and name HB1 ) 0 0 3.5 !
assign  ( resid 38 and name HA ) ( resid 38 and name HB* ) 0 0 4.5 !
assign  ( resid 38 and name HA ) ( resid 39 and name HN ) 0 0 2.7 !
assign  ( resid 38 and name HB2 ) ( resid 38 and name HD* ) 0 0 3.8 !
assign  ( resid 38 and name HB1 ) ( resid 38 and name HD* ) 0 0 3.8 !
assign  ( resid 38 and name HB2 ) ( resid 39 and name HN ) 0 0 5 !
assign  ( resid 38 and name HB1 ) ( resid 39 and name HN ) 0 0 5 !
                  
assign  ( resid 39 and name HN ) ( resid 39 and name HB2 ) 0 0 5 ! 
assign  ( resid 39 and name HN ) ( resid 39 and name HB1 ) 0 0 5 ! 
assign  ( resid 39 and name HA ) ( resid 39 and name HB* ) 0 0 3.8 ! 
assign  ( resid 39 and name HA ) ( resid 40 and name HN ) 0 0 2.7 ! 
assign  ( resid 39 and name HB2 ) ( resid 40 and name HN ) 0 0 5 ! 
assign  ( resid 39 and name HB1 ) ( resid 40 and name HN ) 0 0 5 ! 
                   
assign  ( resid 40 and name HN ) ( resid 40 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 40 and name HN ) ( resid 40 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 40 and name HN ) ( resid 40 and name HG2 ) 0 0 5 ! 
assign  ( resid 40 and name HN ) ( resid 40 and name HG1 ) 0 0 5 ! 
assign  ( resid 40 and name HN ) ( resid 41 and name HN ) 0 0 5 ! 
assign  ( resid 40 and name HA ) ( resid 40 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 40 and name HA ) ( resid 40 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 40 and name HA ) ( resid 40 and name HG* ) 0 0 3.8 ! 
assign  ( resid 40 and name HA ) ( resid 41 and name HN ) 0 0 2.7 ! 
assign  ( resid 40 and name HA ) ( resid 41 and name HB2 ) 0 0 5 ! 
assign  ( resid 40 and name HA ) ( resid 41 and name HB1 ) 0 0 5 ! 
assign  ( resid 40 and name HB2 ) ( resid 41 and name HN ) 0 0 5 ! 
assign  ( resid 40 and name HB1 ) ( resid 41 and name HN ) 0 0 5 ! 
                   
assign  ( resid 41 and name HN ) ( resid 41 and name HB2 ) 0 0 2.7 !
assign  ( resid 41 and name HN ) ( resid 41 and name HB1 ) 0 0 2.7 ! 
assign  ( resid 41 and name HA ) ( resid 41 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 41 and name HA ) ( resid 41 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 41 and name HA ) ( resid 42 and name HN ) 0 0 2.7 ! 
assign  ( resid 41 and name HB1) ( resid 42 and name HN ) 0 0 5.0 ! 
assign  ( resid 41 and name HB2) ( resid 42 and name HN ) 0 0 5.0 !
                   
assign  ( resid 42 and name HN ) ( resid 42 and name HA ) 0 0 2.7 ! 
assign  ( resid 42 and name HN ) ( resid 42 and name HG2* ) 0 0 6 !
assign  ( resid 42 and name HN ) ( resid 42 and name HG1* ) 0 0 4.5!
assign  ( resid 42 and name HN ) ( resid 42 and name HD1* ) 0 0 6.00
assign  ( resid 42 and name HA ) ( resid 42 and name HG2* ) 0 0 6 ! 
assign  ( resid 42 and name HA ) ( resid 42 and name HG1* ) 0 0 3.8 ! 
assign  ( resid 42 and name HA ) ( resid 43 and name HN ) 0 0 2.7 !  
assign  ( resid 44 and name HG2 ) ( resid 44 and name HN ) 0 0 3.5 ! 
assign  ( resid 44 and name HG2 ) ( resid 45 and name HN ) 0 0 5 ! 
assign  ( resid 44 and name HG2 ) ( resid 62 and name HD* ) 0 0 5.5
assign  ( resid 44 and name HG2 ) ( resid 62 and name HE* ) 0 0 5.5
assign  ( resid 44 and name HG1 ) ( resid 62 and name HD* ) 0 0 5.5
assign  ( resid 44 and name HG1 ) ( resid 62 and name HE* ) 0 0 5.5
assign  ( resid 44 and name HG1 ) ( resid 44 and name HN ) 0 0 3.50
assign  ( resid 44 and name HG1) ( resid 45 and name HN ) 0 0 5
                   
assign  ( resid 43 and name HN ) ( resid 43 and name HA ) 0 0 3.5 !
assign  ( resid 43 and name HN ) ( resid 43 and name HB2 ) 0 0 2.7 ! 
assign  ( resid 43 and name HN ) ( resid 43 and name HB1 ) 0 0 2.7 ! 
assign  ( resid 43 and name HA ) ( resid 43 and name HB* ) 0 0 4.5 ! 
assign  ( resid 43 and name HA ) ( resid 44 and name HN ) 0 0 2.7 ! 
assign  ( resid 43 and name HA ) ( resid 45 and name HN ) 0 0 3.5 ! 
assign  ( resid 43 and name HB2 ) ( resid 44 and name HN ) 0 0 5 ! 
assign  ( resid 43 and name HB1 ) ( resid 44 and name HN ) 0 0 5 !
assign  ( resid 43 and name HB** ) ( resid 45 and name HN ) 0 0 5.3 ! 
                   
assign  ( resid 44 and name HN ) ( resid 44 and name HA ) 0 0 3.5 ! 
assign  ( resid 44 and name HN ) ( resid 44 and name HB* ) 0 0 5.3
assign  ( resid 44 and name HN ) ( resid 45 and name HN ) 0 0 2.7 ! 
assign  ( resid 44 and name HN ) ( resid 62 and name HD*) 0 0 7
assign  ( resid 44 and name HA ) ( resid 44 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 44 and name HA ) ( resid 44 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 44 and name HA ) ( resid 45 and name HN ) 0 0 5 ! 
assign  ( resid 44 and name HB1 ) ( resid 62 and name HD* ) 0 0 5.5
assign  ( resid 44 and name HB1 ) ( resid 62 and name HD* ) 0 0 5.5
assign  ( resid 44 and name HB2 ) ( resid 62 and name HE* ) 0 0 5.5
assign  ( resid 44 and name HB2 ) ( resid 62 and name HE* ) 0 0 5.5
                   
assign  ( resid 45 and name HN ) ( resid 45 and name HA ) 0 0 2.7 ! 
assign  ( resid 45 and name HN ) ( resid 45 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 45 and name HN ) ( resid 45 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 45 and name HN ) ( resid 45 and name HB* ) 0 0 3
assign  ( resid 45 and name HN ) ( resid 46 and name HN ) 0 0 2.7 !3.5  
assign  ( resid 45 and name HN ) ( resid 57 and name HB1 ) 0 0 5 ! 
assign  ( resid 45 and name HA ) ( resid 45 and name HB2 ) 0 0 3.5 !2.7 ! 
assign  ( resid 45 and name HA ) ( resid 45 and name HB1 ) 0 0 3.5 !2.7 ! 
assign  ( resid 45 and name HA ) ( resid 46 and name HN ) 0 0 5 ! 3.5 ! 
assign  ( resid 45 and name HA ) ( resid 47 and name HN ) 0 0 5
assign  ( resid 45 and name HB* ) ( resid 46 and name HN ) 0 0 5.3 ! 
assign  ( resid 45 and name HB* ) ( resid 55 and name HN ) 0 0 5.3 ! 
                   
assign  ( resid 46 and name HN ) ( resid 46 and name HA ) 0 0 2.7 ! 
assign  ( resid 46 and name HN ) ( resid 46 and name HB2 ) 0 0 2.7 ! 
assign  ( resid 46 and name HN ) ( resid 46 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 46 and name HN ) ( resid 46 and name HG2 ) 0 0 3.5 ! 
assign  ( resid 46 and name HN ) ( resid 46 and name HG1 ) 0 0 3.5 ! 
assign  ( resid 46 and name HN ) ( resid 55 and name HB* ) 0 0 5.3 ! 
assign  ( resid 46 and name HA ) ( resid 46 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 46 and name HA ) ( resid 46 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 46 and name HA ) ( resid 46 and name HG2 ) 0 0 5 ! 
assign  ( resid 46 and name HA ) ( resid 46 and name HG1 ) 0 0 5 ! 
assign  ( resid 46 and name HA ) ( resid 47 and name HN ) 0 0 3.50! 
assign  ( resid 46 and name HB2 ) ( resid 47 and name HN ) 0 0 2.7 ! 
assign  ( resid 46 and name HB1 ) ( resid 47 and name HN ) 0 0 3.5 ! 
                   
assign  ( resid 47 and name HN ) ( resid 47 and name HA ) 0 0 2.7 ! 
assign  ( resid 47 and name HN ) ( resid 47 and name HB2 ) 0 0 2.7 ! 
assign  ( resid 47 and name HN ) ( resid 47 and name HB1 ) 0 0 2.7 ! 
assign  ( resid 47 and name HN ) ( resid 48 and name HD* ) 0 0 6 ! 
assign  ( resid 47 and name HA ) ( resid 47 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 47 and name HA ) ( resid 47 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 47 and name HA ) ( resid 48 and name HD2 ) 0 0 2.7 ! 
assign  ( resid 47 and name HA ) ( resid 48 and name HD1 ) 0 0 2.7 ! 
assign  ( resid 47 and name HB2 ) ( resid 48 and name HD2 ) 0 0 5 ! 
assign  ( resid 47 and name HB1 ) ( resid 48 and name HD2 ) 0 0 5 ! 
                   
assign  ( resid 48 and name HA ) ( resid 49 and name HN ) 0 0 2.7 ! 
assign  ( resid 48 and name HB* ) ( resid 49 and name HN ) 0 0 4.5 ! 
                   
assign  ( resid 49 and name HN ) ( resid 49 and name HA ) 0 0 3.5 ! 
assign  ( resid 49 and name HN ) ( resid 49 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 49 and name HN ) ( resid 49 and name HB1 ) 0 0 2.7 !
assign  ( resid 49 and name HN ) ( resid 50 and name HN ) 0 0 2.7 !
assign  ( resid 49 and name HA ) ( resid 49 and name HB2 ) 0 0 3.5 !
assign  ( resid 49 and name HA ) ( resid 49 and name HB1 ) 0 0 3.5 !
assign  ( resid 49 and name HA ) ( resid 50 and name HN ) 0 0 3.5 !
assign  ( resid 49 and name HB2 ) ( resid 50 and name HN ) 0 0 5 !
assign  ( resid 49 and name HB1 ) ( resid 50 and name HN ) 0 0 5 !
                  
assign  ( resid 50 and name HN ) ( resid 50 and name HA ) 0 0 3.5 !
assign  ( resid 50 and name HN ) ( resid 50 and name HB ) 0 0 3.5 !
assign  ( resid 50 and name HN ) ( resid 50 and name HG2* ) 0 0 4.5 !
assign  ( resid 50 and name HN ) ( resid 51 and name HN ) 0 0 3.5 !
assign  ( resid 50 and name HA ) ( resid 50 and name HG2* ) 0 0 4.5 !
assign  ( resid 50 and name HA ) ( resid 51 and name HN ) 0 0 3.5 !
assign  ( resid 50 and name HB ) ( resid 51 and name HN ) 0 0 3.5 !
assign  ( resid 50 and name HG2* ) ( resid 51 and name HN ) 0 0 4.5 ! 
                   
assign  ( resid 51 and name HN ) ( resid 51 and name HA ) 0 0 3.5 ! 
assign  ( resid 51 and name HN ) ( resid 51 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 51 and name HN ) ( resid 51 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 51 and name HN ) ( resid 52 and name HN ) 0 0 5 ! 
assign  ( resid 51 and name HN ) ( resid 55 and name HB2 ) 0 0 5 ! 
assign  ( resid 51 and name HN ) ( resid 55 and name HB1 ) 0 0 5 ! 
assign  ( resid 51 and name HA ) ( resid 51 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 51 and name HA ) ( resid 51 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 51 and name HA ) ( resid 52 and name HN ) 0 0 2.7 ! 
assign  ( resid 51 and name HA ) ( resid 53 and name HN ) 0 0 5 ! 
assign  ( resid 51 and name HB2 ) ( resid 52 and name HN ) 0 0 5 ! 
assign  ( resid 51 and name HB1 ) ( resid 52 and name HN ) 0 0 5 ! 
                   
assign  ( resid 52 and name HN ) ( resid 52 and name HA ) 0 0 3.5 ! 
assign  ( resid 52 and name HN ) ( resid 52 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 52 and name HN ) ( resid 52 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 52 and name HN ) ( resid 80 and name HA ) 0 0 5
assign  ( resid 52 and name HN ) ( resid 78 and name HA ) 0 0 6
assign  ( resid 52 and name HA ) ( resid 52 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 52 and name HA ) ( resid 52 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 52 and name HA ) ( resid 53 and name HN ) 0 0 3.5 ! 
assign  ( resid 52 and name HB* ) ( resid 53 and name HN ) 0 0 4.5 ! 
                   
assign  ( resid 53 and name HN ) ( resid 53 and name HA ) 0 0 3.5 ! 
assign  ( resid 53 and name HN ) ( resid 53 and name HB2 ) 0 0 5.0 !
assign  ( resid 53 and name HN ) ( resid 53 and name HB1 ) 0 0 5.0 !
assign  ( resid 53 and name HN ) ( resid 53 and name HG* ) 0 0 3.8 ! 
assign  ( resid 53 and name HA ) ( resid 53 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 53 and name HA ) ( resid 53 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 53 and name HA ) ( resid 53 and name HG* ) 0 0 5.3 ! 
assign  ( resid 53 and name HB2 ) ( resid 54 and name HN ) 0 0 2.7 ! 
assign  ( resid 53 and name HB1 ) ( resid 54 and name HN ) 0 0 2.7 ! 
assign  ( resid 53 and name HB2 ) ( resid 66 and name HA ) 0 0 5 ! 
assign  ( resid 53 and name HB1 ) ( resid 66 and name HA ) 0 0 5 ! 
assign  ( resid 53 and name HG* ) ( resid 66 and name HA ) 0 0 5.3 ! 
                   
assign  ( resid 54 and name HN ) ( resid 54 and name HA ) 0 0 3.5 ! 
assign  ( resid 54 and name HN ) ( resid 54 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 54 and name HN ) ( resid 54 and name HB1 ) 0 0 3.5 !
assign  ( resid 54 and name HN ) ( resid 54 and name HD2* ) 0 0 4.5 ! 
assign  ( resid 54 and name HN ) ( resid 55 and name HN ) 0 0 5 ! 
assign  ( resid 54 and name HN ) ( resid 66 and name HA ) 0 0 5 ! 
assign  ( resid 54 and name HA ) ( resid 54 and name HB* ) 0 0 3 ! 
assign  ( resid 54 and name HA ) ( resid 54 and name HG ) 0 0 3.5 ! 
assign  ( resid 54 and name HA ) ( resid 54 and name HD** ) 0 0 5.1 ! 
assign  ( resid 54 and name HA ) ( resid 55 and name HN ) 0 0 2.7 ! 
assign  ( resid 54 and name HA ) ( resid 55 and name HB2 ) 0 0 5 ! 
assign  ( resid 54 and name HA ) ( resid 55 and name HB1 ) 0 0 5 ! 
assign  ( resid 54 and name HB* ) ( resid 65 and name HN ) 0 0 5.3 !
assign  ( resid 54 and name HD1* ) ( resid 55 and name HN ) 0 0 4.5 ! 
assign  ( resid 54 and name HD2* ) ( resid 66 and name HN ) 0 0 6 ! 
assign  ( resid 54 and name HD2* ) ( resid 55 and name HN ) 0 0 3.7 ! 
assign  ( resid 54 and name HD1* ) ( resid 67 and name HN ) 0 0 6 ! 
assign  ( resid 54 and name HD1* ) ( resid 68 and name HN ) 0 0 4.5 ! 
                   
assign  ( resid 55 and name HN ) ( resid 55 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 55 and name HN ) ( resid 55 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 55 and name HA ) ( resid 55 and name HB2 ) 0 0 5 ! 
assign  ( resid 55 and name HA ) ( resid 56 and name HN ) 0 0 2.7 ! 
assign  ( resid 55 and name HA ) ( resid 64 and name HA ) 0 0 5 ! 
assign  ( resid 55 and name HA ) ( resid 65 and name HN ) 0 0 3.5 ! 
assign  ( resid 55 and name HB2 ) ( resid 56 and name HN ) 0 0 5 ! 
assign  ( resid 55 and name HB1 ) ( resid 56 and name HN ) 0 0 3.5 ! 
                   
assign  ( resid 56 and name HN ) ( resid 56 and name HB ) 0 0 3.5 ! 
assign  ( resid 56 and name HN ) ( resid 64 and name HA ) 0 0 5 ! 
assign  ( resid 56 and name HA ) ( resid 56 and name HB ) 0 0 3.5 ! 
assign  ( resid 56 and name HA ) ( resid 57 and name HN ) 0 0 2.7 ! 
assign  ( resid 56 and name HA ) ( resid 57 and name HB2 ) 0 0 5 ! 
assign  ( resid 56 and name HA ) ( resid 57 and name HB1 ) 0 0 5 ! 
assign  ( resid 56 and name HB ) ( resid 57 and name HN ) 0 0 5 ! 
assign  ( resid 56 and name HG** ) ( resid 57 and name HN ) 0 0 5.1 ! 
                   
assign  ( resid 57 and name HN ) ( resid 57 and name HB2 ) 0 0 2.7 ! 
assign  ( resid 57 and name HN ) ( resid 57 and name HB1 ) 0 0 2.7 ! 
assign  ( resid 57 and name HN ) ( resid 57 and name HD21 ) 0 0 6 ! 
assign  ( resid 57 and name HN ) ( resid 57 and name HD22 ) 0 0 6 !
assign  ( resid 57 and name HA ) ( resid 57 and name HB2 ) 0 0 3.5 !
assign  ( resid 57 and name HA ) ( resid 57 and name HB1 ) 0 0 3.5 !
assign  ( resid 57 and name HA ) ( resid 58 and name HN ) 0 0 5 !
assign  ( resid 57 and name HA ) ( resid 62 and name HD* ) 0 0 7
assign  ( resid 57 and name HA ) ( resid 63 and name HN ) 0 0 5
assign  ( resid 57 and name HB2 ) ( resid 58 and name HN ) 0 0 5 !
assign  ( resid 57 and name HB1 ) ( resid 58 and name HN ) 0 0 3.5 !
assign  ( resid 57 and name HB1 ) ( resid 58 and name HA ) 0 0 5 !
                  
assign  ( resid 58 and name HN ) ( resid 58 and name HG ) 0 0 3.5 !
assign  ( resid 58 and name HN ) ( resid 58 and name HD1* ) 0 0 6 !
assign  ( resid 58 and name HA ) ( resid 59 and name HN ) 0 0 2.7 !
assign  ( resid 58 and name HG ) ( resid 59 and name HN ) 0 0 3.5 !
assign  ( resid 58 and name HG ) ( resid 61 and name HN ) 0 0 3.5
assign  ( resid 58 and name HD1* ) ( resid 61 and name HN ) 0 0 4.5
assign  ( resid 58 and name HD1* ) ( resid 59 and name HN ) 0 0 4.5 !
assign  ( resid 58 and name HD1* ) ( resid 62 and name HN ) 0 0 6
assign  ( resid 58 and name HD2* ) ( resid 59 and name HN ) 0 0 4.5 !
assign  ( resid 58 and name HD2* ) ( resid 63 and name HN ) 0 0 4.5
assign  ( resid 58 and name HD2* ) ( resid 61 and name HN ) 0 0 4.5
assign  ( resid 58 and name HD2* ) ( resid 62 and name HN ) 0 0 4.5
assign  ( resid 58 and name HD2* ) ( resid 63 and name HN ) 0 0 4.5 
                  
assign  ( resid 59 and name HN ) ( resid 59 and name HA ) 0 0 3.5 ! 
assign  ( resid 59 and name HN ) ( resid 59 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 59 and name HN ) ( resid 59 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 59 and name HA ) ( resid 59 and name HB2 ) 0 0 5 ! 
assign  ( resid 59 and name HA ) ( resid 59 and name HB1 ) 0 0 5 ! 
assign  ( resid 59 and name HA ) ( resid 60 and name HN ) 0 0 2.7
assign  ( resid 59 and name HA ) ( resid 61 and name HN ) 0 0 3.5 ! 
assign  ( resid 59 and name HB1 ) ( resid 60 and name HN ) 0 0 5
assign  ( resid 59 and name HB2 ) ( resid 60 and name HN ) 0 0 5
assign  ( resid 59 and name HB1 ) ( resid 61 and name HN ) 0 0 6
assign  ( resid 59 and name HB2 ) ( resid 61 and name HN ) 0 0 6
                   
assign  ( resid 60 and name HN ) ( resid 60 and name HA1 ) 0 0 2.7
assign  ( resid 60 and name HN ) ( resid 60 and name HA2 ) 0 0 2.7
assign  ( resid 60 and name HA2 ) ( resid 60 and name HN ) 0 0 2.7
assign  ( resid 60 and name HA2 ) ( resid 61 and name HN ) 0 0 3.5
assign  ( resid 60 and name HA2 ) ( resid 62 and name HN ) 0 0 5.5
assign  ( resid 60 and name HA1 ) ( resid 60 and name HN ) 0 0 2.7
assign  ( resid 60 and name HA1 ) ( resid 61 and name HN ) 0 0 3.5
assign  ( resid 60 and name HA1 ) ( resid 62 and name HN ) 0 0 5.5
 
assign  ( resid 61 and name HN ) ( resid 61 and name HA* ) 0 0 3
assign  ( resid 61 and name HN ) ( resid 62 and name HN ) 0 0 5 ! 
assign  ( resid 61 and name HA* ) ( resid 62 and name HN ) 0 0 3 ! 
                   
assign  ( resid 62 and name HN ) ( resid 62 and name HA ) 0 0 3.5
assign  ( resid 62 and name HN ) ( resid 62 and name HB2 ) 0 0 5 !
assign  ( resid 62 and name HN ) ( resid 62 and name HB1 ) 0 0 5 ! 
assign  ( resid 62 and name HN ) ( resid 62 and name HD* ) 0 0 5.5 ! 
assign  ( resid 62 and name HA ) ( resid 62 and name HB1 ) 0 0 5 ! 
assign  ( resid 62 and name HA ) ( resid 62 and name HD* ) 0 0 5.5 ! 
assign  ( resid 62 and name HA ) ( resid 62 and name HE* ) 0 0 7
assign  ( resid 62 and name HA ) ( resid 63 and name HN ) 0 0 2.70
assign  ( resid 62 and name HB2 ) ( resid 62 and name HD* ) 0 0 4.7 ! 
assign  ( resid 62 and name HB2 ) ( resid 62 and name HE* ) 0 0 5.5 ! 
assign  ( resid 62 and name HB2 ) ( resid 63 and name HN ) 0 0 5 ! 
assign  ( resid 62 and name HB1 ) ( resid 62 and name HD* ) 0 0 4.7 ! 
assign  ( resid 62 and name HB1 ) ( resid 62 and name HE* ) 0 0 5.5 ! 
assign  ( resid 62 and name HB1 ) ( resid 63 and name HN ) 0 0 5 ! 
assign  ( resid 62 and name HD* ) ( resid 63 and name HN ) 0 0 5.5
assign  ( resid 62 and name HD* ) ( resid 63 and name HA ) 0 0 5.5
assign  ( resid 62 and name HD* ) ( resid 64 and name HN ) 0 0 7
assign  ( resid 62 and name HE* ) ( resid 63 and name HA ) 0 0 7
assign  ( resid 62 and name HE* ) ( resid 64 and name HN ) 0 0 7
                   
assign  ( resid 63 and name HN ) ( resid 63 and name HA ) 0 0 3.5 ! 
assign  ( resid 63 and name HN ) ( resid 63 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 63 and name HN ) ( resid 63 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 63 and name HN ) ( resid 63 and name HG2 ) 0 0 5 ! 
assign  ( resid 63 and name HN ) ( resid 63 and name HG1 ) 0 0 5 ! 
assign  ( resid 63 and name HA ) ( resid 64 and name HN ) 0 0 2.7 ! 
assign  ( resid 63 and name HB2 ) ( resid 64 and name HN ) 0 0 3.5 ! 
assign  ( resid 63 and name HB1 ) ( resid 64 and name HN ) 0 0 3.5 ! 
assign  ( resid 63 and name HG2 ) ( resid 64 and name HN ) 0 0 5.00! 
assign  ( resid 63 and name HG1 ) ( resid 64 and name HN ) 0 0 5.00! 
                   
assign  ( resid 64 and name HN ) ( resid 64 and name HA ) 0 0 3.5 ! 
assign  ( resid 64 and name HN ) ( resid 64 and name HB2 ) 0 0 2.7 ! 
assign  ( resid 64 and name HN ) ( resid 64 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 64 and name HA ) ( resid 65 and name HN ) 0 0 2.7 ! 
assign  ( resid 64 and name HB2 ) ( resid 65 and name HN ) 0 0 3.5 ! 
assign  ( resid 64 and name HB1 ) ( resid 65 and name HN ) 0 0 3.5 ! 
                   
assign  ( resid 65 and name HN ) ( resid 65 and name HA ) 0 0 3.5 ! 
assign  ( resid 65 and name HA ) ( resid 65 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 65 and name HA ) ( resid 65 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 65 and name HA ) ( resid 66 and name HN ) 0 0 2.7 ! 
assign  ( resid 65 and name HB2 ) ( resid 66 and name HN ) 0 0 2.7 ! 
assign  ( resid 65 and name HB1 ) ( resid 66 and name HN ) 0 0 2.7 ! 
                   
assign  ( resid 66 and name HN ) ( resid 66 and name HA ) 0 0 3.5 ! 
assign  ( resid 66 and name HN ) ( resid 66 and name HB2 ) 0 0 2.7 ! 
assign  ( resid 66 and name HN ) ( resid 66 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 66 and name HA ) ( resid 66 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 66 and name HA ) ( resid 66 and name HB1 ) 0 0 2.7 ! 
assign  ( resid 66 and name HA ) ( resid 67 and name HN ) 0 0 2.7 ! 
assign  ( resid 66 and name HB2 ) ( resid 67 and name HN ) 0 0 3.5 ! 
assign  ( resid 66 and name HB2 ) ( resid 70 and name HD* ) 0 0 5.5 ! 
assign  ( resid 66 and name HB1 ) ( resid 67 and name HN ) 0 0 3.5 ! 
assign  ( resid 66 and name HB1 ) ( resid 70 and name HD* ) 0 0 4.7 ! 
assign  ( resid 66 and name HB* ) ( resid 70 and name HN ) 0 0 3.8 ! 
                   
assign  ( resid 67 and name HN ) ( resid 67 and name HA ) 0 0 3.5 ! 
assign  ( resid 67 and name HN ) ( resid 67 and name HB* ) 0 0 3 ! 
assign  ( resid 67 and name HN ) ( resid 67 and name HG* ) 0 0 5.3 ! 
assign  ( resid 67 and name HN ) ( resid 68 and name HN ) 0 0 5 ! 
assign  ( resid 67 and name HN ) ( resid 70 and name HN ) 0 0 5 ! 
assign  ( resid 67 and name HN ) ( resid 70 and name HB* ) 0 0 4.5 ! 
assign  ( resid 67 and name HN ) ( resid 70 and name HD* ) 0 0 5.5 !
assign  ( resid 67 and name HN ) ( resid 70 and name HE* ) 0 0 7.0 !
assign  ( resid 67 and name HA ) ( resid 67 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 67 and name HA ) ( resid 67 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 67 and name HA ) ( resid 67 and name HG* ) 0 0 3.8 ! 
assign  ( resid 67 and name HA ) ( resid 68 and name HN ) 0 0 3.50! 
assign  ( resid 67 and name HB2 ) ( resid 70 and name HD* ) 0 0 4.7 ! 
assign  ( resid 67 and name HB2 ) ( resid 70 and name HE* ) 0 0 4.7 !
assign  ( resid 67 and name HB1 ) ( resid 70 and name HD* ) 0 0 4.7 !
assign  ( resid 67 and name HB1 ) ( resid 70 and name HE* ) 0 0 4.7 !
assign  ( resid 67 and name HB* ) ( resid 68 and name HN ) 0 0 5.3! 
                  
assign  ( resid 68 and name HA ) ( resid 69 and name HN ) 0 0 3.5 !
assign  ( resid 68 and name HN ) ( resid 68 and name HB* ) 0 0 3.8
assign  ( resid 68 and name HB2 ) ( resid 69 and name HN ) 0 0 2.7 !
assign  ( resid 68 and name HB1 ) ( resid 69 and name HN ) 0 0 2.7 !
                  
assign  ( resid 69 and name HN ) ( resid 69 and name HA2 ) 0 0 2.7 !
assign  ( resid 69 and name HN ) ( resid 69 and name HA1 ) 0 0 2.7 !
assign  ( resid 69 and name HN ) ( resid 70 and name HN ) 0 0 2.7 !
assign  ( resid 69 and name HN ) ( resid 70 and name HD* ) 0 0 7 !
assign  ( resid 69 and name HA2 ) ( resid 70 and name HN ) 0 0 3.5 !
assign  ( resid 69 and name HA2 ) ( resid 70 and name HD* ) 0 0 7 !
assign  ( resid 69 and name HA1 ) ( resid 70 and name HN ) 0 0 3.5!
assign  ( resid 69 and name HA1 ) ( resid 70 and name HD* ) 0 0 7 !
assign  ( resid 69 and name HA1 ) ( resid 82 and name HG1* ) 0 0 6 !
                  
assign  ( resid 70 and name HN ) ( resid 70 and name HA ) 0 0 2.7 !
assign  ( resid 70 and name HN ) ( resid 70 and name HB2 ) 0 0 3.5 !
assign  ( resid 70 and name HN ) ( resid 70 and name HB1 ) 0 0 3.5 !
assign  ( resid 70 and name HN ) ( resid 70 and name HD* ) 0 0 4.7 !
assign  ( resid 70 and name HN ) ( resid 82 and name HG1* ) 0 0 6 !
assign  ( resid 70 and name HA ) ( resid 70 and name HB2 ) 0 0 3.5 !
assign  ( resid 70 and name HA ) ( resid 70 and name HB1 ) 0 0 2.7 !
assign  ( resid 70 and name HA ) ( resid 70 and name HD* ) 0 0 4.7 !
assign  ( resid 70 and name HA ) ( resid 70 and name HE* ) 0 0 7 !
assign  ( resid 70 and name HA ) ( resid 71 and name HN ) 0 0 2.7 !
assign  ( resid 70 and name HA ) ( resid 80 and name HN ) 0 0 5 !
assign  ( resid 70 and name HA ) ( resid 81 and name HA ) 0 0 2.7 ! 
assign  ( resid 70 and name HA ) ( resid 81 and name HB* ) 0 0 6 ! 
assign  ( resid 70 and name HA ) ( resid 82 and name HN ) 0 0 2.7 ! 
assign  ( resid 70 and name HA ) ( resid 82 and name HG** ) 0 0 7.4 ! 
assign  ( resid 70 and name HB2 ) ( resid 70 and name HD* ) 0 0 4.7 ! 
assign  ( resid 70 and name HB2 ) ( resid 70 and name HE* ) 0 0 5.5 ! 
assign  ( resid 70 and name HB2 ) ( resid 71 and name HN ) 0 0 5 ! 
assign  ( resid 70 and name HB2 ) ( resid 82 and name HN ) 0 0 5 ! 
assign  ( resid 70 and name HB1 ) ( resid 70 and name HD* ) 0 0 4.7 ! 
assign  ( resid 70 and name HB1 ) ( resid 70 and name HE* ) 0 0 4.7 ! 
assign  ( resid 70 and name HB1 ) ( resid 71 and name HN ) 0 0 2.7 ! 
assign  ( resid 70 and name HB1 ) ( resid 82 and name HN ) 0 0 5 ! 
assign  ( resid 70 and name HB* ) ( resid 71 and name HN ) 0 0 3.13 ! 
assign  ( resid 70 and name HD* ) ( resid 71 and name HN ) 0 0 4.7 ! 
assign  ( resid 70 and name HD* ) ( resid 79 and name HA ) 0 0 7 ! 
assign  ( resid 70 and name HD* ) ( resid 79 and name HB* ) 0 0 5 ! 
assign  ( resid 70 and name HD* ) ( resid 80 and name HN ) 0 0 5.5 !
assign  ( resid 70 and name HD* ) ( resid 80 and name HA ) 0 0 4.7 !
assign  ( resid 70 and name HD* ) ( resid 80 and name HB2 ) 0 0 4.7 !
assign  ( resid 70 and name HD* ) ( resid 80 and name HB1 ) 0 0 7 !
assign  ( resid 70 and name HD* ) ( resid 81 and name HN ) 0 0 4.7 !
assign  ( resid 70 and name HD* ) ( resid 81 and name HA ) 0 0 5.5 !
assign  ( resid 70 and name HD* ) ( resid 81 and name HB* ) 0 0 5.7 !
assign  ( resid 70 and name HE* ) ( resid 80 and name HA ) 0 0 7 !
assign  ( resid 70 and name HE* ) ( resid 80 and name HB2 ) 0 0 7 !
assign  ( resid 70 and name HE* ) ( resid 80 and name HB1 ) 0 0 7 !
assign  ( resid 70 and name HE* ) ( resid 81 and name HN ) 0 0 5.5 !
assign  ( resid 70 and name HE* ) ( resid 81 and name HA ) 0 0 5.5 !
assign  ( resid 70 and name HE* ) ( resid 81 and name HB* ) 0 0 5.7 !
assign  ( resid 70 and name HZ ) ( resid 81 and name HB* ) 0 0 5.7 !
                  
assign  ( resid 71 and name HN ) ( resid 71 and name HA ) 0 0 3.5 !
assign  ( resid 71 and name HN ) ( resid 71 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 71 and name HN ) ( resid 71 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 71 and name HN ) ( resid 71 and name HB* ) 0 0 2.95 ! 
assign  ( resid 71 and name HN ) ( resid 72 and name HN ) 0 0 5 ! 
assign  ( resid 71 and name HN ) ( resid 73 and name HN ) 0 0 5 ! 
assign  ( resid 71 and name HN ) ( resid 79 and name HA ) 0 0 5 ! 
assign  ( resid 71 and name HN ) ( resid 80 and name HN ) 0 0 2.7 ! 
assign  ( resid 71 and name HN ) ( resid 82 and name HN ) 0 0 3.5 ! 
assign  ( resid 71 and name HN ) ( resid 82 and name HN ) 0 0 5 ! 
assign  ( resid 71 and name HN ) ( resid 82 and name HG** ) 0 0 7.4 ! 
assign  ( resid 71 and name HA ) ( resid 71 and name HB2 ) 0 0 5 ! 
assign  ( resid 71 and name HA ) ( resid 71 and name HB1 ) 0 0 2.7 ! 
assign  ( resid 71 and name HA ) ( resid 72 and name HN ) 0 0 2.7 ! 
assign  ( resid 71 and name HA ) ( resid 72 and name HB2 ) 0 0 5 ! 
assign  ( resid 71 and name HA ) ( resid 72 and name HB2 ) 0 0 5 ! 
assign  ( resid 71 and name HA ) ( resid 72 and name HB1 ) 0 0 5 ! 
assign  ( resid 71 and name HA ) ( resid 72 and name HB1 ) 0 0 5 ! 
assign  ( resid 71 and name HB2 ) ( resid 72 and name HN ) 0 0 3.5 ! 
assign  ( resid 71 and name HB1 ) ( resid 72 and name HN ) 0 0 2.7 ! 
assign  ( resid 71 and name HB* ) ( resid 72 and name HD** ) 0 0 8.4 ! 
                   
assign  ( resid 72 and name HN ) ( resid 72 and name HA ) 0 0 3.5 ! 
assign  ( resid 72 and name HN ) ( resid 72 and name HB2 ) 0 0 2.7 ! 
assign  ( resid 72 and name HN ) ( resid 72 and name HB1 ) 0 0 2.7 ! 
assign  ( resid 72 and name HN ) ( resid 72 and name HG ) 0 0 5 ! 
assign  ( resid 72 and name HN ) ( resid 72 and name HD1* ) 0 0 6 ! 
assign  ( resid 72 and name HN ) ( resid 72 and name HD2* ) 0 0 6 ! 
assign  ( resid 72 and name HN ) ( resid 72 and name HD** ) 0 0 5.9 ! 
assign  ( resid 72 and name HA ) ( resid 72 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 72 and name HA ) ( resid 72 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 72 and name HA ) ( resid 72 and name HD1* ) 0 0 4.5 ! 
assign  ( resid 72 and name HA ) ( resid 72 and name HD2* ) 0 0 4.5 ! 
assign  ( resid 72 and name HA ) ( resid 73 and name HN ) 0 0 2.7 ! 
assign  ( resid 72 and name HA ) ( resid 80 and name HN ) 0 0 5 ! 
assign  ( resid 72 and name HG ) ( resid 73 and name HN ) 0 0 3.5 ! 
assign  ( resid 72 and name HD1* ) ( resid 73 and name HN ) 0 0 4.5 ! 
assign  ( resid 72 and name HD1* ) ( resid 77 and name HN ) 0 0 6 ! 
assign  ( resid 72 and name HD1* ) ( resid 78 and name HN ) 0 0 6 ! 
assign  ( resid 72 and name HD** ) ( resid 77 and name HA ) 0 0 5.9 ! 
assign  ( resid 72 and name HD** ) ( resid 79 and name HA ) 0 0 7.4 ! 
                   
assign  ( resid 73 and name HN ) ( resid 73 and name HA ) 0 0 3.5 ! 
assign  ( resid 73 and name HN ) ( resid 73 and name HB2 ) 0 0 2.7 ! 
assign  ( resid 73 and name HN ) ( resid 73 and name HB1 ) 0 0 2.7 ! 
assign  ( resid 73 and name HN ) ( resid 77 and name HN ) 0 0 5 ! 
assign  ( resid 73 and name HN ) ( resid 78 and name HN ) 0 0 5 ! 
assign  ( resid 73 and name HN ) ( resid 80 and name HN ) 0 0 5 ! 
assign  ( resid 73 and name HN ) ( resid 80 and name HG* ) 0 0 5.3 ! 
assign  ( resid 73 and name HA ) ( resid 73 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 73 and name HA ) ( resid 73 and name HB1 ) 0 0 3.5 ! 
assign  ( resid 73 and name HA ) ( resid 74 and name HD2 ) 0 0 3.5 ! 
assign  ( resid 73 and name HA ) ( resid 74 and name HD1 ) 0 0 3.5 ! 
assign  ( resid 73 and name HB1 ) ( resid 76 and name HN ) 0 0 5 ! 
assign  ( resid 73 and name HB1 ) ( resid 76 and name HB ) 0 0 5 ! 
assign  ( resid 73 and name HB1 ) ( resid 78 and name HN ) 0 0 3.5 ! 
assign  ( resid 73 and name HB1 ) ( resid 78 and name HB* ) 0 0 4.5 ! 
                   
assign  ( resid 74 and name HA ) ( resid 75 and name HN ) 0 0 3.50!
assign  ( resid 74 and name HB2 ) ( resid 75 and name HN ) 0 0 2.7 ! 
assign  ( resid 74 and name HG2 ) ( resid 75 and name HN ) 0 0 5 ! 
assign  ( resid 74 and name HG1 ) ( resid 75 and name HN ) 0 0 5 ! 
assign  ( resid 74 and name HG* ) ( resid 75 and name HD1 ) 0 0 3.8 ! 
                   
assign  ( resid 75 and name HN ) ( resid 75 and name HA ) 0 0 2.7 !
assign  ( resid 75 and name HN ) ( resid 75 and name HB* ) 0 0 3.8 !
assign  ( resid 75 and name HN ) ( resid 76 and name HN ) 0 0 2.7 !
assign  ( resid 75 and name HA ) ( resid 75 and name HB* ) 0 0 3 !
assign  ( resid 75 and name HA ) ( resid 75 and name HD1 ) 0 0 5 !
assign  ( resid 75 and name HA ) ( resid 76 and name HN ) 0 0 5 !
assign  ( resid 75 and name HA ) ( resid 76 and name HG2* ) 0 0 6 !
assign  ( resid 75 and name HB* ) ( resid 76 and name HN ) 0 0 3.8 !
assign  ( resid 75 and name HB* ) ( resid 76 and name HG2* ) 0 0 4.8 !
                  
assign  ( resid 76 and name HN ) ( resid 76 and name HA ) 0 0 3.5 !
assign  ( resid 76 and name HN ) ( resid 76 and name HG2* ) 0 0 4.5 !
assign  ( resid 76 and name HN ) ( resid 77 and name HN ) 0 0 2.7 !
assign  ( resid 76 and name HA ) ( resid 76 and name HG2* ) 0 0 3.7 !
assign  ( resid 76 and name HA ) ( resid 77 and name HN ) 0 0 3.5 !
assign  ( resid 76 and name HA ) ( resid 78 and name HN ) 0 0 5 ! 
assign  ( resid 76 and name HB ) ( resid 77 and name HN ) 0 0 3.5 ! 
assign  ( resid 76 and name HB ) ( resid 78 and name HN ) 0 0 2.7 ! 
                   
assign  ( resid 77 and name HN ) ( resid 77 and name HA ) 0 0 2.7 ! 
assign  ( resid 77 and name HN ) ( resid 77 and name HB2 ) 0 0 3.5 ! 
assign  ( resid 77 and name HN ) ( resid 77 and name HB1 ) 0 0 5 ! 
assign  ( resid 77 and name HN ) ( resid 77 and name HG* ) 0 0 3.8 ! 
assign  ( resid 77 and name HN ) ( resid 78 and name HN ) 0 0 2.7 ! 
assign  ( resid 77 and name HA ) ( resid 77 and name HB2 ) 0 0 2.7 ! 
assign  ( resid 77 and name HA ) ( resid 77 and name HB1 ) 0 0 2.7 ! 
assign  ( resid 77 and name HA ) ( resid 77 and name HG2 ) 0 0 5 ! 
assign  ( resid 77 and name HA ) ( resid 77 and name HG1 ) 0 0 5 ! 
assign  ( resid 77 and name HA ) ( resid 77 and name HD* ) 0 0 5.3 ! 
assign  ( resid 77 and name HA ) ( resid 78 and name HN ) 0 0 3.5 ! 
assign  ( resid 77 and name HA ) ( resid 78 and name HB* ) 0 0 6.53 ! 
assign  ( resid 77 and name HB2 ) ( resid 78 and name HN ) 0 0 5 ! 
assign  ( resid 77 and name HB1 ) ( resid 78 and name HN ) 0 0 5 ! 
                   
assign  ( resid 78 and name HN ) ( resid 78 and name HA ) 0 0 3.5 ! 
assign  ( resid 78 and name HN ) ( resid 78 and name HB* ) 0 0 3.7 ! 
assign  ( resid 78 and name HN ) ( resid 79 and name HN ) 0 0 5 ! !
assign  ( resid 78 and name HA ) ( resid 79 and name HN ) 0 0 3.5 ! 
assign  ( resid 78 and name HB* ) ( resid 79 and name HN ) 0 0 3.7 ! 
                   
assign  ( resid 79 and name HN ) ( resid 79 and name HA ) 0 0 3.5 ! 
assign  ( resid 79 and name HN ) ( resid 79 and name HB* ) 0 0 3.8 ! 
assign  ( resid 79 and name HN ) ( resid 80 and name HN ) 0 0 5 ! 
assign  ( resid 79 and name HA ) ( resid 79 and name HB* ) 0 0 3 ! 
assign  ( resid 79 and name HA ) ( resid 80 and name HN ) 0 0 2.7 ! 
assign  ( resid 79 and name HB* ) ( resid 80 and name HN ) 0 0 3.8 ! 
                   
assign  ( resid 80 and name HN ) ( resid 80 and name HA ) 0 0 3.5 !
assign  ( resid 80 and name HN ) ( resid 80 and name HB* ) 0 0 3.8 !
assign  ( resid 80 and name HN ) ( resid 80 and name HG* ) 0 0 3.8 !
assign  ( resid 80 and name HA ) ( resid 81 and name HN ) 0 0 2.7 !
assign  ( resid 80 and name HB* ) ( resid 81 and name HN ) 0 0 3.8 !
assign  ( resid 80 and name HG* ) ( resid 81 and name HN ) 0 0 5.3 !
                  
assign  ( resid 81 and name HN ) ( resid 81 and name HA ) 0 0 3.5 !
assign  ( resid 81 and name HN ) ( resid 81 and name HB* ) 0 0 3.7 !
assign  ( resid 81 and name HA ) ( resid 82 and name HG** ) 0 0 7.4 !
                  
assign  ( resid 82 and name HN ) ( resid 82 and name HA ) 0 0 2.7 !
assign  ( resid 82 and name HN ) ( resid 82 and name HB ) 0 0 2.7 !
assign  ( resid 82 and name HN ) ( resid 82 and name HG1* ) 0 0 4.5 !
assign  ( resid 82 and name HN ) ( resid 82 and name HG2* ) 0 0 4.5 !


!H-BOND 
assign (resid 32 and name HN) (resid 40 and name O) 1.9 0.1 0.1
assign (resid 32 and name N ) (resid 40 and name O) 2.8 0.1 0.2

assign (resid 82 and name HN) (resid 69 and name O) 1.9 0.1 0.1
assign (resid 82 and name N ) (resid 69 and name O) 2.8 0.1 0.2

assign (resid 8 and name HN) (resid 7 and name OD2) 1.9 0.1 0.1
assign (resid 8 and name N ) (resid 7 and name OD2) 2.8 0.1 0.2

assign (resid 36 and name HN) (resid 34 and name O) 1.9 0.1 0.1
assign (resid 36 and name N ) (resid 34 and name O) 2.8 0.1 0.2

assign (resid 40 and name HN) (resid 32 and name O) 1.9 0.1 0.1!
assign (resid 40 and name N ) (resid 32 and name O) 2.8 0.1 0.2!
 
assign (resid 43 and name OD2) (resid 45 and name HN) 1.9 0.1 0.1!
assign (resid 43 and name OD2) (resid 45 and name N ) 2.8 0.1 0.2!

assign (resid 31 and name HN) (resid 29 and name OD1) 1.9 0.1 0.1
assign (resid 31 and name N ) (resid 29 and name OD1) 2.8 0.1 0.2

assign (resid 69 and name HN) (resid 67 and name O) 1.9 0.1 0.1
assign (resid 69 and name N ) (resid 67 and name O) 2.8 0.1 0.2

assign (resid 56 and name HN) (resid 63 and name O) 1.9 0.1 0.1
assign (resid 56 and name N ) (resid 63 and name O) 2.8 0.1 0.2

assign (resid 63 and name HN) (resid 56 and name O) 1.9 0.1 0.1
assign (resid 63 and name N ) (resid 56 and name O) 2.8 0.1 0.2
 
assign (resid 17 and name HN) (resid 24 and name O) 1.9 0.1 0.1
assign (resid 17 and name N ) (resid 24 and name O) 2.8 0.1 0.2

assign (resid 24 and name HN) (resid 17 and name O) 1.9 0.1 0.1
assign (resid 24 and name N ) (resid 17 and name O) 2.8 0.1 0.2

assign (resid 58 and name HN) (resid 57 and name OD1) 1.9 0.1 0.1
assign (resid 58 and name N ) (resid 57 and name OD1) 2.8 0.1 0.2
 
assign (resid 72 and name HN) (resid 71 and name OE1) 1.9 0.1 0.1
assign (resid 72 and name N ) (resid 71 and name OE1) 2.8 0.1 0.2

assign (resid 42 and name HN) (resid 41 and name OD2) 1.9 0.1 0.1
assign (resid 42 and name N ) (resid 41 and name OD2) 2.8 0.1 0.2


!CALCIUM COORDINATION
!EGF-A
 assign ( resid 83 and name CAX) ( resid 4 and name OE1 ) 2.40 0.2 0.2
 assign ( resid 83 and name CAX) ( resid 4 and name OE2 ) 2.40 0.2 0.2 
 assign ( resid 83 and name CAX) ( resid 18 and name OD1 ) 2.40 0.2 0.2 

!EGF-B
 assign ( resid 84 and name CAX) ( resid 41 and name OD1 ) 2.40 0.2 0.2
 assign ( resid 84 and name CAX) ( resid 42 and name O ) 2.40 0.2 0.2
 assign ( resid 84 and name CAX) ( resid 44 and name OE1 ) 2.40 0.2 0.2
 assign ( resid 84 and name CAX) ( resid 44 and name OE2 ) 2.40 0.2 0.2
 assign ( resid 84 and name CAX) ( resid 57 and name OD1 ) 2.40 0.2 0.2
 assign ( resid 84 and name CAX) ( resid 58 and name O ) 2.40 0.2 0.2

!Dihedral restraints for EGF-AB
restraints dihedral reset


!EGF-A
assign (resid 2 and name c)(resid 3 and name n)
       (resid 3 and name ca)(resid 3 and name c)      1.0 -120 45 2

assign (resid 3 and name c)(resid 4 and name n)
       (resid 4 and name ca)(resid 4 and name c)      1.0 -60 30 2

assign (resid 4 and name c)(resid 5 and name n)
       (resid 5 and name ca)(resid 5 and name c)      1.0 -60 25 2

assign (resid 5 and name c)(resid 6 and name n)
       (resid 6 and name ca)(resid 6 and name c)      1.0 -60 25 2

assign (resid 6 and name c)(resid 7 and name n)
       (resid 7 and name ca)(resid 7 and name c)      1.0 -120 40 2

assign (resid 7 and name c)(resid 8 and name n)
       (resid 8 and name ca)(resid 8 and name c)      1.0 -60 25 2

assign (resid 8 and name c)(resid 9 and name n)
       (resid 9 and name ca)(resid 9 and name c)     1.0 -60 25 2

assign (resid 11 and name c)(resid 12 and name n)
       (resid 12 and name ca)(resid 12 and name c)    1.0 -120 45 2

assign (resid 12 and name c)(resid 13 and name n)
       (resid 13 and name ca)(resid 13 and name c)    1.0 -120 45 2

assign (resid 13 and name c)(resid 14 and name n)
       (resid 14 and name ca)(resid 14 and name c)    1.0 -120 40 2

assign (resid 14 and name c)(resid 15 and name n)
       (resid 15 and name ca)(resid 15 and name c)    1.0 -120 40 2

assign (resid 15 and name c)(resid 16 and name n)
       (resid 16 and name ca)(resid 16 and name c)    1.0 -120 45 2

assign (resid 16 and name c)(resid 17 and name n)
       (resid 17 and name ca)(resid 17 and name c)    1.0 -120 45 2

assign (resid 17 and name c)(resid 18 and name n)
       (resid 18 and name ca)(resid 18 and name c)    1.0 -60 25 2

assign (resid 19 and name c)(resid 20 and name n)
       (resid 20 and name ca)(resid 20 and name c)    1.0 -60 25 2

assign (resid 20 and name c)(resid 21 and name n)
       (resid 21 and name ca)(resid 21 and name c)    1.0 -120 40 2

assign (resid 22 and name c)(resid 23 and name n)
       (resid 23 and name ca)(resid 23 and name c)    1.0 -60 25 2

assign (resid 23 and name c)(resid 24 and name n)
       (resid 24 and name ca)(resid 24 and name c)    1.0 -120 40 2

assign (resid 24 and name c)(resid 25 and name n)
       (resid 25 and name ca)(resid 25 and name c)    1.0 -120 40 2

assign (resid 25 and name c)(resid 26 and name n)
       (resid 26 and name ca)(resid 26 and name c)    1.0 -120 45 2

assign (resid 26 and name c)(resid 27 and name n)
       (resid 27 and name ca)(resid 27 and name c)    1.0 -120 40 2

assign (resid 28 and name c)(resid 29 and name n)
       (resid 29 and name ca)(resid 29 and name c)    1.0 -120 40 2

assign (resid 29 and name c)(resid 30 and name n)
       (resid 30 and name ca)(resid 30 and name c)    1.0 -60 25 2

assign (resid 30 and name c)(resid 31 and name n)
       (resid 31 and name ca)(resid 31 and name c)    1.0 -100 65 2

assign (resid 31 and name c)(resid 32 and name n)
       (resid 32 and name ca)(resid 32 and name c)    1.0 -120 40 2

assign (resid 32 and name c)(resid 33 and name n)
       (resid 33 and name ca)(resid 33 and name c)    1.0 -60 25 2

assign (resid 33 and name c)(resid 34 and name n)
       (resid 34 and name ca)(resid 34 and name c)    1.0 -120 40 2

assign (resid 34 and name c)(resid 35 and name n)
       (resid 35 and name ca)(resid 35 and name c)    1.0 -60 25 2

assign (resid 35 and name c)(resid 36 and name n)
       (resid 36 and name ca)(resid 36 and name c)    1.0 50 40 2

assign (resid 36 and name c)(resid 37 and name n)
       (resid 37 and name ca)(resid 37 and name c)    1.0 -140 20 2 

assign (resid 37 and name c)(resid 38 and name n)
       (resid 38 and name ca)(resid 38 and name c)    1.0 -120 40 2

assign (resid 38 and name c)(resid 39 and name n)
       (resid 39 and name ca)(resid 39 and name c)    1.0 -60 35 2


!LINKER
assign (resid 39 and name c)(resid 40 and name n)
       (resid 40 and name ca)(resid 40 and name c)    1.0 -120 40 2

assign (resid 40 and name c)(resid 41 and name n)
       (resid 41 and name ca)(resid 41 and name c)    1.0 -100 65 2 

assign (resid 41 and name c)(resid 42 and name n)
       (resid 42 and name ca)(resid 42 and name c)    1.0 -100 65 2

assign (resid 42 and name c)(resid 43 and name n)
       (resid 43 and name ca)(resid 43 and name c)    1.0 -100 65 2

assign (resid 43 and name c)(resid 44 and name n)
       (resid 44 and name ca)(resid 44 and name c)    1.0 -60 25 2 


!EGF-B
assign (resid 44 and name c)(resid 45 and name n)
       (resid 45 and name ca)(resid 45 and name c)    1.0 -60 25 2

assign (resid 45 and name c)(resid 46 and name n)
       (resid 46 and name ca)(resid 46 and name c)    1.0 -60 25 2

assign (resid 46 and name c)(resid 47 and name n)
       (resid 47 and name ca)(resid 47 and name c)    1.0 -120 40 2

assign (resid 48 and name c)(resid 49 and name n)
       (resid 49 and name ca)(resid 49 and name c)    1.0 -120 40 2

assign (resid 49 and name c)(resid 50 and name n)
       (resid 50 and name ca)(resid 50 and name c)    1.0 -60 25 2

assign (resid 50 and name c)(resid 51 and name n)
       (resid 51 and name ca)(resid 51 and name c)    1.0 -120 40 2

assign (resid 52 and name c)(resid 53 and name n)
       (resid 53 and name ca)(resid 53 and name c)    1.0 -100 65 2

assign (resid 54 and name c)(resid 55 and name n)
       (resid 55 and name ca)(resid 55 and name c)    1.0 -120 40 2

assign (resid 55 and name c)(resid 56 and name n)
       (resid 56 and name ca)(resid 56 and name c)    1.0 -120 40 2

assign (resid 56 and name c)(resid 57 and name n)
       (resid 57 and name ca)(resid 57 and name c)    1.0 -60 25 2

assign (resid 58 and name c)(resid 59 and name n)
       (resid 59 and name ca)(resid 59 and name c)    1.0 -60 25 2

!dqf

assign (resid 59 and name c)(resid 60 and name n)
       (resid 60 and name ca)(resid 60 and name c)    1.0 50 40 2

assign (resid 60 and name c)(resid 61 and name n)
       (resid 61 and name ca)(resid 61 and name c)    1.0 -60 25 2

assign (resid 61 and name c)(resid 62 and name n)
       (resid 62 and name ca)(resid 62 and name c)    1.0 -100 65 2

assign (resid 62 and name c)(resid 63 and name n)
       (resid 63 and name ca)(resid 63 and name c)    1.0 -100 65 2

assign (resid 63 and name c)(resid 64 and name n)
       (resid 64 and name ca)(resid 64 and name c)    1.0 -120 40 2

assign (resid 64 and name c)(resid 65 and name n)
       (resid 65 and name ca)(resid 65 and name c)    1.0 -120 40 2

!dqf
assign (resid 65 and name c)(resid 66 and name n)
       (resid 66 and name ca)(resid 66 and name c)    1.0 -120 40 2 

assign (resid 66 and name c)(resid 67 and name n)
       (resid 67 and name ca)(resid 67 and name c)    1.0 -60 25 2

assign (resid 70 and name c)(resid 71 and name n)
       (resid 71 and name ca)(resid 71 and name c)    1.0 -120 40 2

assign (resid 71 and name c)(resid 72 and name n)
       (resid 72 and name ca)(resid 72 and name c)    1.0 -120 40 2

assign (resid 72 and name c)(resid 73 and name n)
       (resid 73 and name ca)(resid 73 and name c)    1.0 -60 25 2

assign (resid 75 and name c)(resid 76 and name n)
       (resid 76 and name ca)(resid 76 and name c)    1.0 -120 40 2

assign (resid 77 and name c)(resid 78 and name n)
       (resid 78 and name ca)(resid 78 and name c)    1.0 -120 40 2

assign (resid 78 and name c)(resid 79 and name n)
       (resid 79 and name ca)(resid 79 and name c)    1.0 -120 40 2

assign (resid 79 and name c)(resid 80 and name n)
       (resid 80 and name ca)(resid 80 and name c)    1.0 -120 40 2

assign (resid 80 and name c)(resid 81 and name n)
       (resid 81 and name ca)(resid 81 and name c)    1.0 -60 25 2


!chi angles

assign (resid 3 and name N ) (resid 3 and name CA)
       (resid 3 and name CB) (resid 3 and name CG)    1.0 180  30 2

assign (resid 14 and name N ) (resid 14 and name CA)
       (resid 14 and name CB) (resid 14 and name CG)    1.0 -60  30 2

assign (resid 17 and name N ) (resid 17 and name CA)
       (resid 17 and name CB) (resid 17 and name CG)    1.0 180  30 2

assign (resid 23 and name N ) (resid 23 and name CA)
       (resid 23 and name CB) (resid 23 and name CG)    1.0 -60	30 2

assign (resid 47 and name N ) (resid 47 and name CA)
       (resid 47 and name CB) (resid 47 and name CG)    1.0 180  30 2

assign (resid 8 and name N ) (resid 8 and name CA)
       (resid 8 and name CB) (resid 8 and name CG)    1.0 -60  30 2

assign (resid 66 and name N ) (resid 66 and name CA)
       (resid 66 and name CB) (resid 66 and name SG)    1.0 -60  30 2

assign (resid 27 and name N ) (resid 27 and name CA)
       (resid 27 and name CB) (resid 27 and name SG)    1.0 -60  30 2

assign (resid 62 and name N ) (resid 62 and name CA)
       (resid 62 and name CB) (resid 62 and name CG)    1.0 60  30 2

assign (resid 45 and name N ) (resid 45 and name CA)
       (resid 45 and name CB) (resid 45 and name SG)    1.0 -60  30 2

assign (resid 57 and name N ) (resid 57 and name CA)
       (resid 57 and name CB) (resid 57 and name CG)    1.0 180  30 2

assign (resid 73 and name N ) (resid 73 and name CA)
       (resid 73 and name CB) (resid 73 and name CG)	1.0 180  30 2

assign (resid 16 and name N ) (resid 16 and name CA)
       (resid 16 and name CB) (resid 16 and name SG)    1.0  60  30 2

assign (resid 51 and name N ) (resid 51 and name CA)
       (resid 51 and name CB) (resid 51 and name SG)    1.0  -60  30 2

end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    GLY   1           H        GLY   1 -24.350  -7.070   3.964
    2   1HA   GLY   1          2HA       GLY   1 -24.635  -6.062   1.762
    3   2HA   GLY   1          1HA       GLY   1 -26.334  -5.806   2.144
    4    H    THR   2           H        THR   2 -26.894  -3.886   2.819
    5    HA   THR   2           HA       THR   2 -26.832  -1.614   3.117
    6    HB   THR   2           HB       THR   2 -26.971  -2.676   5.320
    7    HG1  THR   2           1HG      THR   2 -26.982  -0.367   4.961
    8   1HG2  THR   2          1HG2      THR   2 -24.576  -3.529   5.487
    9   2HG2  THR   2          2HG2      THR   2 -25.005  -2.501   6.840
   10   3HG2  THR   2          3HG2      THR   2 -24.022  -1.863   5.526
   11    H    ASN   3           H        ASN   3 -25.390   0.266   4.047
   12    HA   ASN   3           HA       ASN   3 -22.872   0.351   2.453
   13   1HB   ASN   3          2HB       ASN   3 -24.872   1.712   1.726
   14   2HB   ASN   3          1HB       ASN   3 -24.756   2.611   3.219
   15   1HD2  ASN   3          1HD2      ASN   3 -24.493   4.070   0.910
   16   2HD2  ASN   3          2HD2      ASN   3 -22.884   4.569   0.700
   17    H    GLU   4           H        GLU   4 -22.031  -0.674   4.533
   18    HA   GLU   4           HA       GLU   4 -21.925   0.951   6.921
   19   1HB   GLU   4          2HB       GLU   4 -20.528  -0.780   7.805
   20   2HB   GLU   4          1HB       GLU   4 -21.818  -1.550   6.944
   21   1HG   GLU   4          2HG       GLU   4 -18.981  -1.219   5.891
   22   2HG   GLU   4          1HG       GLU   4 -19.601  -2.669   6.626
   23    H    CYS   5           H        CYS   5 -20.550   1.415   4.036
   24    HA   CYS   5           HA       CYS   5 -17.849   1.978   4.620
   25   1HB   CYS   5          2HB       CYS   5 -19.621   2.996   2.424
   26   2HB   CYS   5          1HB       CYS   5 -17.894   3.093   2.456
   27    H    LEU   6           H        LEU   6 -20.759   3.794   4.447
   28    HA   LEU   6           HA       LEU   6 -20.225   6.433   4.430
   29   1HB   LEU   6          2HB       LEU   6 -22.110   5.033   6.348
   30   2HB   LEU   6          1HB       LEU   6 -22.202   6.717   5.888
   31    HG   LEU   6           HG       LEU   6 -22.480   4.368   3.963
   32   1HD1  LEU   6          1HD1      LEU   6 -24.546   6.303   5.069
   33   2HD1  LEU   6          2HD1      LEU   6 -24.398   4.604   5.495
   34   3HD1  LEU   6          3HD1      LEU   6 -24.854   5.063   3.861
   35   1HD2  LEU   6          1HD2      LEU   6 -21.555   6.432   2.844
   36   2HD2  LEU   6          2HD2      LEU   6 -22.890   7.365   3.497
   37   3HD2  LEU   6          3HD2      LEU   6 -23.190   6.106   2.315
   38    H    ASP   7           H        ASP   7 -20.330   4.704   7.497
   39    HA   ASP   7           HA       ASP   7 -18.801   6.878   8.857
   40   1HB   ASP   7          2HB       ASP   7 -20.933   5.826   9.876
   41   2HB   ASP   7          1HB       ASP   7 -20.024   4.323   9.962
   42    H    ASN   8           H        ASN   8 -17.545   5.247  10.714
   43    HA   ASN   8           HA       ASN   8 -15.050   4.704   9.725
   44   1HB   ASN   8          2HB       ASN   8 -16.521   3.287  11.816
   45   2HB   ASN   8          1HB       ASN   8 -14.776   3.266  11.713
   46   1HD2  ASN   8          1HD2      ASN   8 -13.774   5.596  11.679
   47   2HD2  ASN   8          2HD2      ASN   8 -14.480   6.734  12.722
   48    H    ASN   9           H        ASN   9 -14.394   3.295   8.188
   49    HA   ASN   9           HA       ASN   9 -15.742   1.595   6.584
   50   1HB   ASN   9          2HB       ASN   9 -13.363   2.108   6.293
   51   2HB   ASN   9          1HB       ASN   9 -12.958   1.153   7.700
   52   1HD2  ASN   9          1HD2      ASN   9 -11.505   0.034   6.074
   53   2HD2  ASN   9          2HD2      ASN   9 -12.171  -1.243   5.183
   54    H    GLY  10           H        GLY  10 -17.441   0.609   7.819
   55   1HA   GLY  10          2HA       GLY  10 -18.502  -1.187   8.834
   56   2HA   GLY  10          1HA       GLY  10 -17.147  -2.130   8.234
   57    H    GLY  11           H        GLY  11 -16.032   0.303  10.170
   58   1HA   GLY  11          2HA       GLY  11 -16.279   0.116  12.776
   59   2HA   GLY  11          1HA       GLY  11 -15.544  -1.467  12.501
   60    H    CYS  12           H        CYS  12 -13.850  -0.767  10.396
   61    HA   CYS  12           HA       CYS  12 -11.653   0.575  11.810
   62   1HB   CYS  12          2HB       CYS  12 -10.329  -0.411   9.981
   63   2HB   CYS  12          1HB       CYS  12 -11.389  -1.598  10.709
   64    H    SER  13           H        SER  13 -10.528   1.250   9.053
   65    HA   SER  13           HA       SER  13 -12.240   3.310   7.961
   66   1HB   SER  13          2HB       SER  13 -10.741   5.250   8.665
   67   2HB   SER  13          1HB       SER  13 -11.454   4.453  10.074
   68    HG   SER  13           HG       SER  13  -8.927   3.859   8.918
   69    H    HIS  14           H        HIS  14 -10.968   1.117   6.887
   70    HA   HIS  14           HA       HIS  14  -8.839   2.230   5.150
   71   1HB   HIS  14          2HB       HIS  14  -9.641  -0.647   5.830
   72   2HB   HIS  14          1HB       HIS  14  -8.302  -0.169   4.815
   73    HD1  HIS  14           1HD      HIS  14  -8.032  -1.705   7.540
   74    HD2  HIS  14           2HD      HIS  14  -7.340   2.293   7.084
   75    HE1  HIS  14           1HE      HIS  14  -6.555  -1.038   9.400
   76    H    VAL  15           H        VAL  15 -10.047  -0.496   3.829
   77    HA   VAL  15           HA       VAL  15 -11.976   0.956   2.088
   78    HB   VAL  15           HB       VAL  15  -9.870   0.124   1.103
   79   1HG1  VAL  15          1HG1      VAL  15  -9.507  -2.276   0.717
   80   2HG1  VAL  15          2HG1      VAL  15 -10.858  -2.665   1.753
   81   3HG1  VAL  15          3HG1      VAL  15  -9.452  -1.853   2.421
   82   1HG2  VAL  15          1HG2      VAL  15 -10.953  -1.061  -0.866
   83   2HG2  VAL  15          2HG2      VAL  15 -11.915   0.313  -0.344
   84   3HG2  VAL  15          3HG2      VAL  15 -12.394  -1.316   0.104
   85    H    CYS  16           H        CYS  16 -14.009   0.336   2.120
   86    HA   CYS  16           HA       CYS  16 -14.876  -1.895   3.805
   87   1HB   CYS  16          2HB       CYS  16 -17.090  -0.962   3.318
   88   2HB   CYS  16          1HB       CYS  16 -16.009   0.287   3.863
   89    H    ASN  17           H        ASN  17 -14.284  -3.789   2.831
   90    HA   ASN  17           HA       ASN  17 -15.130  -4.230   0.015
   91   1HB   ASN  17          2HB       ASN  17 -12.895  -4.876   0.588
   92   2HB   ASN  17          1HB       ASN  17 -13.390  -5.713   2.026
   93   1HD2  ASN  17          1HD2      ASN  17 -13.681  -7.933   1.733
   94   2HD2  ASN  17          2HD2      ASN  17 -13.899  -8.702   0.239
   95    H    ASP  18           H        ASP  18 -17.057  -3.913   0.543
   96    HA   ASP  18           HA       ASP  18 -18.812  -4.862   2.446
   97   1HB   ASP  18          2HB       ASP  18 -19.349  -3.086   0.840
   98   2HB   ASP  18          1HB       ASP  18 -19.415  -4.254  -0.469
   99    H    LEU  19           H        LEU  19 -18.411  -6.936   2.957
  100    HA   LEU  19           HA       LEU  19 -18.727  -9.180   1.239
  101   1HB   LEU  19          2HB       LEU  19 -17.476  -8.849   3.549
  102   2HB   LEU  19          1HB       LEU  19 -19.057  -9.008   4.250
  103    HG   LEU  19           HG       LEU  19 -19.325 -11.277   3.281
  104   1HD1  LEU  19          1HD1      LEU  19 -17.295 -12.302   2.266
  105   2HD1  LEU  19          2HD1      LEU  19 -16.440 -10.772   2.456
  106   3HD1  LEU  19          3HD1      LEU  19 -17.780 -10.900   1.333
  107   1HD2  LEU  19          1HD2      LEU  19 -17.707 -12.325   4.837
  108   2HD2  LEU  19          2HD2      LEU  19 -18.438 -10.906   5.554
  109   3HD2  LEU  19          3HD2      LEU  19 -16.805 -10.815   4.923
  110    H    LYS  20           H        LYS  20 -20.531 -10.859   1.899
  111    HA   LYS  20           HA       LYS  20 -23.083  -9.535   1.516
  112   1HB   LYS  20          2HB       LYS  20 -23.992 -11.852   1.597
  113   2HB   LYS  20          1HB       LYS  20 -22.587 -11.752   0.555
  114   1HG   LYS  20          2HG       LYS  20 -21.165 -12.714   2.391
  115   2HG   LYS  20          1HG       LYS  20 -22.581 -12.825   3.418
  116   1HD   LYS  20          2HD       LYS  20 -22.141 -15.003   2.436
  117   2HD   LYS  20          1HD       LYS  20 -23.664 -14.376   1.841
  118   1HE   LYS  20          2HE       LYS  20 -22.548 -13.675  -0.285
  119   2HE   LYS  20          1HE       LYS  20 -21.014 -14.280   0.328
  120   1HZ   LYS  20          1HZ       LYS  20 -21.616 -16.158  -0.645
  121   2HZ   LYS  20          2HZ       LYS  20 -23.242 -15.691  -0.785
  122   3HZ   LYS  20          3HZ       LYS  20 -22.679 -16.377   0.661
  123    H    ILE  21           H        ILE  21 -21.464 -11.266   4.140
  124    HA   ILE  21           HA       ILE  21 -22.914  -9.764   6.197
  125    HB   ILE  21           HB       ILE  21 -22.765 -12.804   5.993
  126   1HG1  ILE  21          2HG1      ILE  21 -25.200 -10.955   5.942
  127   2HG1  ILE  21          1HG1      ILE  21 -24.572 -11.853   4.575
  128   1HG2  ILE  21          1HG2      ILE  21 -23.886 -11.030   8.198
  129   2HG2  ILE  21          2HG2      ILE  21 -22.428 -12.008   8.308
  130   3HG2  ILE  21          3HG2      ILE  21 -23.989 -12.788   8.179
  131   1HD1  ILE  21          1HD1      ILE  21 -25.723 -13.137   7.077
  132   2HD1  ILE  21          2HD1      ILE  21 -25.059 -13.992   5.693
  133   3HD1  ILE  21          3HD1      ILE  21 -26.506 -13.014   5.517
  134    H    GLY  22           H        GLY  22 -21.150  -8.856   7.178
  135   1HA   GLY  22          2HA       GLY  22 -19.398  -9.040   8.773
  136   2HA   GLY  22          1HA       GLY  22 -18.971 -10.565   8.047
  137    H    TYR  23           H        TYR  23 -19.534  -7.462   6.697
  138    HA   TYR  23           HA       TYR  23 -17.849  -7.105   4.610
  139   1HB   TYR  23          2HB       TYR  23 -17.979  -4.887   6.637
  140   2HB   TYR  23          1HB       TYR  23 -17.999  -4.783   4.884
  141    HD1  TYR  23           1HD      TYR  23 -20.042  -6.030   3.666
  142    HD2  TYR  23           2HD      TYR  23 -20.025  -4.881   7.755
  143    HE1  TYR  23           1HE      TYR  23 -22.483  -6.191   3.723
  144    HE2  TYR  23           2HE      TYR  23 -22.469  -5.039   7.814
  145    HH   TYR  23           HH       TYR  23 -24.244  -6.637   5.614
  146    H    GLU  24           H        GLU  24 -15.763  -6.240   4.200
  147    HA   GLU  24           HA       GLU  24 -13.833  -6.827   6.370
  148   1HB   GLU  24          2HB       GLU  24 -13.473  -6.969   3.403
  149   2HB   GLU  24          1HB       GLU  24 -12.318  -7.402   4.619
  150   1HG   GLU  24          2HG       GLU  24 -13.976  -9.071   5.504
  151   2HG   GLU  24          1HG       GLU  24 -15.044  -8.609   4.179
  152    H    CYS  25           H        CYS  25 -11.893  -5.947   6.393
  153    HA   CYS  25           HA       CYS  25 -11.614  -3.158   5.689
  154   1HB   CYS  25          2HB       CYS  25 -10.808  -4.759   8.116
  155   2HB   CYS  25          1HB       CYS  25 -10.140  -3.189   7.816
  156    H    LEU  26           H        LEU  26 -10.748  -4.239   3.687
  157    HA   LEU  26           HA       LEU  26  -8.215  -5.644   3.877
  158   1HB   LEU  26          2HB       LEU  26  -9.354  -4.307   1.397
  159   2HB   LEU  26          1HB       LEU  26  -8.298  -5.674   1.513
  160    HG   LEU  26           HG       LEU  26 -11.202  -5.687   2.361
  161   1HD1  LEU  26          1HD1      LEU  26 -11.487  -7.275   0.472
  162   2HD1  LEU  26          2HD1      LEU  26  -9.823  -7.038   0.010
  163   3HD1  LEU  26          3HD1      LEU  26 -10.955  -5.699  -0.081
  164   1HD2  LEU  26          1HD2      LEU  26  -9.224  -7.988   2.397
  165   2HD2  LEU  26          2HD2      LEU  26 -10.950  -8.102   2.712
  166   3HD2  LEU  26          3HD2      LEU  26  -9.921  -7.205   3.810
  167    H    CYS  27           H        CYS  27  -6.682  -4.448   1.989
  168    HA   CYS  27           HA       CYS  27  -5.554  -2.227   3.448
  169   1HB   CYS  27          2HB       CYS  27  -4.825  -3.528   0.846
  170   2HB   CYS  27          1HB       CYS  27  -3.897  -2.262   1.577
  171    HA   PRO  28           HA       PRO  28  -7.301   0.986   0.929
  172   1HB   PRO  28          2HB       PRO  28  -5.369   2.958   1.502
  173   2HB   PRO  28          1HB       PRO  28  -6.760   2.593   2.471
  174   1HG   PRO  28          2HG       PRO  28  -4.031   2.133   3.123
  175   2HG   PRO  28          1HG       PRO  28  -5.459   1.761   4.092
  176   1HD   PRO  28          2HD       PRO  28  -3.776  -0.014   2.469
  177   2HD   PRO  28          1HD       PRO  28  -4.912  -0.389   3.782
  178    H    ASP  29           H        ASP  29  -3.826   1.422   0.842
  179    HA   ASP  29           HA       ASP  29  -3.818   1.724  -2.092
  180   1HB   ASP  29          2HB       ASP  29  -1.620   2.758  -1.661
  181   2HB   ASP  29          1HB       ASP  29  -2.824   3.467  -0.613
  182    H    GLY  30           H        GLY  30  -0.982   1.117  -2.165
  183   1HA   GLY  30          2HA       GLY  30  -0.953  -1.460  -3.131
  184   2HA   GLY  30          1HA       GLY  30   0.469  -0.538  -2.734
  185    H    PHE  31           H        PHE  31  -0.151  -0.564   0.240
  186    HA   PHE  31           HA       PHE  31   1.327  -2.813   0.963
  187   1HB   PHE  31          2HB       PHE  31  -0.825  -1.355   2.545
  188   2HB   PHE  31          1HB       PHE  31   0.408  -2.380   3.248
  189    HD1  PHE  31           1HD      PHE  31  -0.222   0.997   2.671
  190    HD2  PHE  31           2HD      PHE  31   2.779  -1.917   2.141
  191    HE1  PHE  31           1HE      PHE  31   1.480   2.774   2.570
  192    HE2  PHE  31           2HE      PHE  31   4.510  -0.166   2.048
  193    HZ   PHE  31           HZ       PHE  31   3.876   2.162   2.284
  194    H    GLN  32           H        GLN  32   0.759  -4.568   2.348
  195    HA   GLN  32           HA       GLN  32  -1.503  -6.156   1.269
  196   1HB   GLN  32          2HB       GLN  32   1.138  -6.958   2.514
  197   2HB   GLN  32          1HB       GLN  32  -0.074  -8.056   1.907
  198   1HG   GLN  32          2HG       GLN  32   0.190  -7.093  -0.384
  199   2HG   GLN  32          1HG       GLN  32   1.370  -5.943   0.232
  200   1HE2  GLN  32          1HE2      GLN  32   0.859  -9.298  -0.650
  201   2HE2  GLN  32          2HE2      GLN  32   2.477  -9.785  -0.483
  202    H    LEU  33           H        LEU  33  -2.985  -7.094   2.625
  203    HA   LEU  33           HA       LEU  33  -3.016  -6.195   5.442
  204   1HB   LEU  33          2HB       LEU  33  -5.104  -6.348   3.845
  205   2HB   LEU  33          1HB       LEU  33  -5.026  -8.076   4.090
  206    HG   LEU  33           HG       LEU  33  -5.020  -7.484   6.654
  207   1HD1  LEU  33          1HD1      LEU  33  -6.142  -5.327   7.198
  208   2HD1  LEU  33          2HD1      LEU  33  -6.087  -4.883   5.507
  209   3HD1  LEU  33          3HD1      LEU  33  -4.596  -5.069   6.413
  210   1HD2  LEU  33          1HD2      LEU  33  -7.563  -7.051   5.064
  211   2HD2  LEU  33          2HD2      LEU  33  -7.474  -7.384   6.779
  212   3HD2  LEU  33          3HD2      LEU  33  -6.939  -8.592   5.622
  213    H    VAL  34           H        VAL  34  -0.898  -7.528   5.511
  214    HA   VAL  34           HA       VAL  34  -1.163 -10.427   5.694
  215    HB   VAL  34           HB       VAL  34   1.149  -8.588   6.458
  216   1HG1  VAL  34          1HG1      VAL  34   1.331 -10.832   7.544
  217   2HG1  VAL  34          2HG1      VAL  34   2.547 -10.641   6.298
  218   3HG1  VAL  34          3HG1      VAL  34   1.114 -11.605   5.983
  219   1HG2  VAL  34          1HG2      VAL  34   2.086  -9.249   4.255
  220   2HG2  VAL  34          2HG2      VAL  34   0.545  -8.435   4.068
  221   3HG2  VAL  34          3HG2      VAL  34   0.638 -10.181   3.910
  222    H    ALA  35           H        ALA  35  -0.600  -7.824   8.003
  223    HA   ALA  35           HA       ALA  35  -0.682  -9.567  10.255
  224   1HB   ALA  35          1HB       ALA  35  -0.569  -6.554  10.023
  225   2HB   ALA  35          2HB       ALA  35   0.781  -7.644  10.242
  226   3HB   ALA  35          3HB       ALA  35  -0.384  -7.428  11.536
  227    H    GLN  36           H        GLN  36  -2.965 -10.120   9.181
  228    HA   GLN  36           HA       GLN  36  -5.194 -10.459   9.547
  229   1HB   GLN  36          2HB       GLN  36  -4.686  -8.979  12.180
  230   2HB   GLN  36          1HB       GLN  36  -6.081  -9.971  11.811
  231   1HG   GLN  36          2HG       GLN  36  -4.652 -11.962  11.506
  232   2HG   GLN  36          1HG       GLN  36  -3.219 -11.002  11.849
  233   1HE2  GLN  36          1HE2      GLN  36  -5.792 -12.789  13.292
  234   2HE2  GLN  36          2HE2      GLN  36  -5.450 -12.387  14.905
  235    H    ARG  37           H        ARG  37  -5.029  -7.287  11.141
  236    HA   ARG  37           HA       ARG  37  -6.965  -6.214   9.112
  237   1HB   ARG  37          2HB       ARG  37  -6.721  -5.469  12.061
  238   2HB   ARG  37          1HB       ARG  37  -7.779  -4.679  10.921
  239   1HG   ARG  37          2HG       ARG  37  -9.081  -6.187  12.298
  240   2HG   ARG  37          1HG       ARG  37  -9.078  -6.774  10.650
  241   1HD   ARG  37          2HD       ARG  37  -7.496  -8.515  11.191
  242   2HD   ARG  37          1HD       ARG  37  -7.223  -7.887  12.811
  243    HE   ARG  37           HE       ARG  37  -9.525  -9.433  11.828
  244   1HH1  ARG  37          2HH1      ARG  37  -8.270  -7.346  14.299
  245   2HH1  ARG  37          1HH1      ARG  37  -9.417  -7.874  15.482
  246   1HH2  ARG  37          1HH2      ARG  37 -10.987 -10.111  13.315
  247   2HH2  ARG  37          2HH2      ARG  37 -10.978  -9.458  14.918
  248    H    ARG  38           H        ARG  38  -3.960  -5.983  10.531
  249    HA   ARG  38           HA       ARG  38  -3.503  -3.111   9.989
  250   1HB   ARG  38          2HB       ARG  38  -2.621  -4.122  12.052
  251   2HB   ARG  38          1HB       ARG  38  -1.731  -5.314  11.143
  252   1HG   ARG  38          2HG       ARG  38  -0.410  -3.406  10.077
  253   2HG   ARG  38          1HG       ARG  38  -1.275  -2.290  11.119
  254   1HD   ARG  38          2HD       ARG  38   0.469  -4.610  12.068
  255   2HD   ARG  38          1HD       ARG  38   0.937  -2.921  12.121
  256    HE   ARG  38           HE       ARG  38  -0.988  -4.268  13.894
  257   1HH1  ARG  38          2HH1      ARG  38   0.291  -1.262  12.727
  258   2HH1  ARG  38          1HH1      ARG  38  -0.257  -0.371  14.105
  259   1HH2  ARG  38          1HH2      ARG  38  -1.692  -3.159  15.636
  260   2HH2  ARG  38          2HH2      ARG  38  -1.399  -1.458  15.776
  261    H    CYS  39           H        CYS  39  -3.055  -2.588   7.936
  262    HA   CYS  39           HA       CYS  39  -1.822  -4.598   6.144
  263   1HB   CYS  39          2HB       CYS  39  -3.823  -3.351   5.363
  264   2HB   CYS  39          1HB       CYS  39  -2.921  -1.860   5.483
  265    H    GLU  40           H        GLU  40   0.144  -4.467   5.319
  266    HA   GLU  40           HA       GLU  40   1.736  -2.042   5.196
  267   1HB   GLU  40          2HB       GLU  40   2.051  -2.735   7.605
  268   2HB   GLU  40          1HB       GLU  40   2.604  -4.313   7.072
  269   1HG   GLU  40          2HG       GLU  40   4.521  -3.254   5.881
  270   2HG   GLU  40          1HG       GLU  40   3.907  -1.679   6.321
  271    H    ASP  41           H        ASP  41   3.825  -2.472   4.159
  272    HA   ASP  41           HA       ASP  41   3.590  -4.420   2.018
  273   1HB   ASP  41          2HB       ASP  41   4.537  -2.213   1.511
  274   2HB   ASP  41          1HB       ASP  41   5.744  -2.393   2.755
  275    H    ILE  42           H        ILE  42   5.392  -5.786   1.441
  276    HA   ILE  42           HA       ILE  42   6.038  -7.609   3.496
  277    HB   ILE  42           HB       ILE  42   5.924  -8.264   1.078
  278   1HG1  ILE  42          2HG1      ILE  42   8.701  -8.756   2.274
  279   2HG1  ILE  42          1HG1      ILE  42   7.262  -9.665   2.684
  280   1HG2  ILE  42          1HG2      ILE  42   7.776  -7.622  -0.479
  281   2HG2  ILE  42          2HG2      ILE  42   8.517  -6.656   0.781
  282   3HG2  ILE  42          3HG2      ILE  42   6.959  -6.202   0.120
  283   1HD1  ILE  42          1HD1      ILE  42   8.537  -9.533  -0.086
  284   2HD1  ILE  42          2HD1      ILE  42   7.086 -10.435   0.321
  285   3HD1  ILE  42          3HD1      ILE  42   8.630 -10.879   1.029
  286    H    ASP  43           H        ASP  43   8.173  -8.025   4.463
  287    HA   ASP  43           HA       ASP  43   9.633  -5.530   4.962
  288   1HB   ASP  43          2HB       ASP  43   9.126  -7.173   6.799
  289   2HB   ASP  43          1HB       ASP  43  10.203  -8.326   6.036
  290    H    GLU  44           H        GLU  44  10.891  -4.915   3.354
  291    HA   GLU  44           HA       GLU  44  12.519  -6.799   1.830
  292   1HB   GLU  44          2HB       GLU  44  13.199  -4.777   0.553
  293   2HB   GLU  44          1HB       GLU  44  11.470  -4.956   0.637
  294   1HG   GLU  44          2HG       GLU  44  12.999  -3.110   2.518
  295   2HG   GLU  44          1HG       GLU  44  12.323  -2.607   0.988
  296    H    CYS  45           H        CYS  45  12.993  -5.043   4.787
  297    HA   CYS  45           HA       CYS  45  15.730  -4.438   4.429
  298   1HB   CYS  45          2HB       CYS  45  14.013  -4.786   6.877
  299   2HB   CYS  45          1HB       CYS  45  15.692  -4.451   7.004
  300    H    GLN  46           H        GLN  46  14.245  -6.689   6.576
  301    HA   GLN  46           HA       GLN  46  16.287  -8.321   7.365
  302   1HB   GLN  46          2HB       GLN  46  13.422  -9.089   6.685
  303   2HB   GLN  46          1HB       GLN  46  14.493 -10.072   7.645
  304   1HG   GLN  46          2HG       GLN  46  13.612  -7.225   8.344
  305   2HG   GLN  46          1HG       GLN  46  12.970  -8.681   9.083
  306   1HE2  GLN  46          1HE2      GLN  46  14.578 -10.036  10.328
  307   2HE2  GLN  46          2HE2      GLN  46  15.889  -9.257  11.073
  308    H    ASP  47           H        ASP  47  14.419  -8.577   4.438
  309    HA   ASP  47           HA       ASP  47  15.745 -10.907   3.475
  310   1HB   ASP  47          2HB       ASP  47  13.398 -10.420   2.842
  311   2HB   ASP  47          1HB       ASP  47  13.902  -8.928   2.067
  312    HA   PRO  48           HA       PRO  48  19.144  -8.511   1.787
  313   1HB   PRO  48          2HB       PRO  48  20.345 -10.419   0.256
  314   2HB   PRO  48          1HB       PRO  48  20.399 -10.471   2.000
  315   1HG   PRO  48          2HG       PRO  48  18.578 -11.964   0.157
  316   2HG   PRO  48          1HG       PRO  48  19.460 -12.549   1.578
  317   1HD   PRO  48          2HD       PRO  48  16.832 -11.894   1.642
  318   2HD   PRO  48          1HD       PRO  48  17.900 -11.727   3.047
  319    H    ASP  49           H        ASP  49  17.690  -7.141   0.693
  320    HA   ASP  49           HA       ASP  49  17.802  -7.409  -2.249
  321   1HB   ASP  49          2HB       ASP  49  15.596  -8.273  -1.600
  322   2HB   ASP  49          1HB       ASP  49  15.307  -6.853  -0.608
  323    H    THR  50           H        THR  50  17.127  -5.381   0.546
  324    HA   THR  50           HA       THR  50  17.219  -2.895  -0.893
  325    HB   THR  50           HB       THR  50  17.260  -1.969   1.514
  326    HG1  THR  50           1HG      THR  50  16.824  -3.827   2.991
  327   1HG2  THR  50          1HG2      THR  50  15.085  -2.540   0.349
  328   2HG2  THR  50          2HG2      THR  50  15.025  -2.841   2.081
  329   3HG2  THR  50          3HG2      THR  50  15.234  -4.176   0.953
  330    H    CYS  51           H        CYS  51  19.267  -2.955   1.935
  331    HA   CYS  51           HA       CYS  51  21.545  -2.187   0.187
  332   1HB   CYS  51          2HB       CYS  51  20.898  -1.614   3.066
  333   2HB   CYS  51          1HB       CYS  51  22.283  -1.043   2.169
  334    H    SER  52           H        SER  52  23.762  -2.555   1.384
  335    HA   SER  52           HA       SER  52  24.014  -5.464   1.716
  336   1HB   SER  52          2HB       SER  52  25.621  -4.182   0.289
  337   2HB   SER  52          1HB       SER  52  26.131  -3.252   1.705
  338    HG   SER  52           HG       SER  52  27.426  -4.857   2.033
  339    H    GLN  53           H        GLN  53  23.144  -3.144   3.739
  340    HA   GLN  53           HA       GLN  53  24.277  -4.502   6.116
  341   1HB   GLN  53          2HB       GLN  53  24.243  -1.818   6.914
  342   2HB   GLN  53          1HB       GLN  53  25.615  -2.738   6.444
  343   1HG   GLN  53          2HG       GLN  53  25.493  -0.563   5.325
  344   2HG   GLN  53          1HG       GLN  53  25.317  -1.810   4.119
  345   1HE2  GLN  53          1HE2      GLN  53  22.316  -1.576   5.711
  346   2HE2  GLN  53          2HE2      GLN  53  21.583  -0.500   4.631
  347    H    LEU  54           H        LEU  54  23.337  -2.803   7.994
  348    HA   LEU  54           HA       LEU  54  20.886  -3.879   8.675
  349   1HB   LEU  54          2HB       LEU  54  22.530  -3.119  10.198
  350   2HB   LEU  54          1HB       LEU  54  22.584  -1.520   9.508
  351    HG   LEU  54           HG       LEU  54  20.062  -2.540  10.895
  352   1HD1  LEU  54          1HD1      LEU  54  22.463  -0.988  11.996
  353   2HD1  LEU  54          2HD1      LEU  54  22.096  -2.661  12.397
  354   3HD1  LEU  54          3HD1      LEU  54  20.992  -1.379  12.886
  355   1HD2  LEU  54          1HD2      LEU  54  20.046  -0.377   9.441
  356   2HD2  LEU  54          2HD2      LEU  54  21.364   0.183  10.434
  357   3HD2  LEU  54          3HD2      LEU  54  19.770  -0.069  11.139
  358    H    CYS  55           H        CYS  55  18.939  -2.832   9.060
  359    HA   CYS  55           HA       CYS  55  18.136  -0.451   7.572
  360   1HB   CYS  55          2HB       CYS  55  18.296  -2.119   5.785
  361   2HB   CYS  55          1HB       CYS  55  17.358  -3.260   6.636
  362    H    VAL  56           H        VAL  56  15.634  -0.355   7.635
  363    HA   VAL  56           HA       VAL  56  14.455  -1.569  10.052
  364    HB   VAL  56           HB       VAL  56  15.562   0.460  10.913
  365   1HG1  VAL  56          1HG1      VAL  56  15.733   1.807   8.838
  366   2HG1  VAL  56          2HG1      VAL  56  14.999   2.732  10.131
  367   3HG1  VAL  56          3HG1      VAL  56  14.003   2.094   8.846
  368   1HG2  VAL  56          1HG2      VAL  56  13.594   1.646  11.859
  369   2HG2  VAL  56          2HG2      VAL  56  13.378  -0.096  11.893
  370   3HG2  VAL  56          3HG2      VAL  56  12.554   0.868  10.677
  371    H    ASN  57           H        ASN  57  12.817  -2.466   9.223
  372    HA   ASN  57           HA       ASN  57  11.301  -1.453   6.950
  373   1HB   ASN  57          2HB       ASN  57  11.866  -3.830   7.086
  374   2HB   ASN  57          1HB       ASN  57  11.007  -3.935   8.616
  375   1HD2  ASN  57          1HD2      ASN  57   9.165  -5.128   8.265
  376   2HD2  ASN  57          2HD2      ASN  57   8.080  -4.882   6.983
  377    H    LEU  58           H        LEU  58   9.186  -1.434   6.815
  378    HA   LEU  58           HA       LEU  58   7.104  -1.420   8.691
  379   1HB   LEU  58          2HB       LEU  58   6.652   0.970   9.085
  380   2HB   LEU  58          1HB       LEU  58   8.197   0.563   9.732
  381    HG   LEU  58           HG       LEU  58   7.958   1.875   7.003
  382   1HD1  LEU  58          1HD1      LEU  58   6.941   3.341   8.813
  383   2HD1  LEU  58          2HD1      LEU  58   8.454   4.007   8.225
  384   3HD1  LEU  58          3HD1      LEU  58   8.405   3.163   9.765
  385   1HD2  LEU  58          1HD2      LEU  58  10.289   2.510   7.555
  386   2HD2  LEU  58          2HD2      LEU  58  10.103   0.777   7.555
  387   3HD2  LEU  58          3HD2      LEU  58  10.171   1.656   9.075
  388    H    GLU  59           H        GLU  59   5.718   0.744   7.635
  389    HA   GLU  59           HA       GLU  59   4.833  -0.379   5.089
  390   1HB   GLU  59          2HB       GLU  59   3.251   0.241   6.939
  391   2HB   GLU  59          1HB       GLU  59   3.759   1.911   6.829
  392   1HG   GLU  59          2HG       GLU  59   2.799   2.041   4.586
  393   2HG   GLU  59          1HG       GLU  59   2.355   0.333   4.637
  394    H    GLY  60           H        GLY  60   6.250  -0.098   3.713
  395   1HA   GLY  60          2HA       GLY  60   7.303   0.746   1.901
  396   2HA   GLY  60          1HA       GLY  60   6.090   2.005   1.933
  397    H    GLY  61           H        GLY  61   7.232   2.464   4.768
  398   1HA   GLY  61          2HA       GLY  61   9.112   4.585   3.973
  399   2HA   GLY  61          1HA       GLY  61   8.437   4.331   5.579
  400    H    TYR  62           H        TYR  62   9.763   1.558   4.305
  401    HA   TYR  62           HA       TYR  62  11.703   1.263   6.331
  402   1HB   TYR  62          2HB       TYR  62  12.569  -0.657   5.118
  403   2HB   TYR  62          1HB       TYR  62  10.840  -0.599   4.820
  404    HD1  TYR  62           1HD      TYR  62   9.998   0.308   2.576
  405    HD2  TYR  62           2HD      TYR  62  14.133  -0.333   3.383
  406    HE1  TYR  62           1HE      TYR  62  10.500   0.429   0.181
  407    HE2  TYR  62           2HE      TYR  62  14.632  -0.210   1.001
  408    HH   TYR  62           HH       TYR  62  12.880   1.106  -1.176
  409    H    LYS  63           H        LYS  63  13.856   1.721   6.598
  410    HA   LYS  63           HA       LYS  63  15.249   3.119   4.387
  411   1HB   LYS  63          2HB       LYS  63  15.222   3.817   7.308
  412   2HB   LYS  63          1HB       LYS  63  16.213   4.545   6.118
  413   1HG   LYS  63          2HG       LYS  63  13.168   4.651   6.161
  414   2HG   LYS  63          1HG       LYS  63  14.204   5.959   6.655
  415   1HD   LYS  63          2HD       LYS  63  14.034   4.840   3.813
  416   2HD   LYS  63          1HD       LYS  63  13.328   6.336   4.366
  417   1HE   LYS  63          2HE       LYS  63  16.322   5.728   4.317
  418   2HE   LYS  63          1HE       LYS  63  15.457   6.772   3.205
  419   1HZ   LYS  63          1HZ       LYS  63  14.741   8.040   5.251
  420   2HZ   LYS  63          2HZ       LYS  63  16.360   8.191   4.765
  421   3HZ   LYS  63          3HZ       LYS  63  15.957   7.189   6.075
  422    H    CYS  64           H        CYS  64  17.479   3.196   4.601
  423    HA   CYS  64           HA       CYS  64  18.701   0.825   5.914
  424   1HB   CYS  64          2HB       CYS  64  19.606   2.458   3.561
  425   2HB   CYS  64          1HB       CYS  64  20.474   1.157   4.261
  426    H    GLN  65           H        GLN  65  20.823   1.100   6.608
  427    HA   GLN  65           HA       GLN  65  22.038   3.724   7.143
  428   1HB   GLN  65          2HB       GLN  65  21.391   1.950   9.533
  429   2HB   GLN  65          1HB       GLN  65  22.075   3.543   9.549
  430   1HG   GLN  65          2HG       GLN  65  19.991   4.582   8.782
  431   2HG   GLN  65          1HG       GLN  65  19.205   3.006   8.720
  432   1HE2  GLN  65          1HE2      GLN  65  18.968   1.821  10.801
  433   2HE2  GLN  65          2HE2      GLN  65  18.902   2.700  12.252
  434    H    CYS  66           H        CYS  66  23.932   2.896   8.936
  435    HA   CYS  66           HA       CYS  66  25.286   0.775   7.381
  436   1HB   CYS  66          2HB       CYS  66  26.513   2.415   9.567
  437   2HB   CYS  66          1HB       CYS  66  27.225   1.500   8.362
  438    H    GLU  67           H        GLU  67  26.141  -0.911   8.238
  439    HA   GLU  67           HA       GLU  67  24.904  -2.113  10.621
  440   1HB   GLU  67          2HB       GLU  67  25.074  -3.328   8.463
  441   2HB   GLU  67          1HB       GLU  67  26.819  -3.230   8.520
  442   1HG   GLU  67          2HG       GLU  67  26.775  -4.652  10.609
  443   2HG   GLU  67          1HG       GLU  67  25.023  -4.727  10.477
  444    H    GLU  68           H        GLU  68  26.099  -0.313  11.737
  445    HA   GLU  68           HA       GLU  68  27.657   0.403  13.273
  446   1HB   GLU  68          2HB       GLU  68  28.341  -2.582  13.335
  447   2HB   GLU  68          1HB       GLU  68  28.891  -1.420  14.512
  448   1HG   GLU  68          2HG       GLU  68  26.910  -2.615  15.373
  449   2HG   GLU  68          1HG       GLU  68  26.505  -0.930  15.120
  450    H    GLY  69           H        GLY  69  29.683  -2.174  12.020
  451   1HA   GLY  69          2HA       GLY  69  32.031  -0.647  11.863
  452   2HA   GLY  69          1HA       GLY  69  31.805  -2.211  11.104
  453    H    PHE  70           H        PHE  70  29.401  -0.794   9.730
  454    HA   PHE  70           HA       PHE  70  30.809  -0.165   7.343
  455   1HB   PHE  70          2HB       PHE  70  27.904  -0.272   8.111
  456   2HB   PHE  70          1HB       PHE  70  28.383   0.205   6.499
  457    HD1  PHE  70           1HD      PHE  70  29.995  -2.556   8.499
  458    HD2  PHE  70           2HD      PHE  70  27.347  -1.538   5.346
  459    HE1  PHE  70           1HE      PHE  70  29.914  -4.902   7.828
  460    HE2  PHE  70           2HE      PHE  70  27.267  -3.890   4.659
  461    HZ   PHE  70           HZ       PHE  70  28.550  -5.583   5.898
  462    H    GLN  71           H        GLN  71  30.414   1.789   6.089
  463    HA   GLN  71           HA       GLN  71  29.806   4.190   7.656
  464   1HB   GLN  71          2HB       GLN  71  32.202   3.499   5.984
  465   2HB   GLN  71          1HB       GLN  71  31.672   5.141   5.956
  466   1HG   GLN  71          2HG       GLN  71  32.305   3.593   8.518
  467   2HG   GLN  71          1HG       GLN  71  33.387   4.761   7.760
  468   1HE2  GLN  71          1HE2      GLN  71  32.468   5.284  10.355
  469   2HE2  GLN  71          2HE2      GLN  71  31.366   6.576  10.332
  470    H    LEU  72           H        LEU  72  29.682   6.038   6.252
  471    HA   LEU  72           HA       LEU  72  27.585   5.436   4.263
  472   1HB   LEU  72          2HB       LEU  72  27.316   7.299   5.875
  473   2HB   LEU  72          1HB       LEU  72  28.681   8.123   5.149
  474    HG   LEU  72           HG       LEU  72  27.449   8.074   2.924
  475   1HD1  LEU  72          1HD1      LEU  72  25.021   7.636   2.924
  476   2HD1  LEU  72          2HD1      LEU  72  25.101   7.111   4.595
  477   3HD1  LEU  72          3HD1      LEU  72  25.910   6.186   3.341
  478   1HD2  LEU  72          1HD2      LEU  72  25.993   9.447   5.226
  479   2HD2  LEU  72          2HD2      LEU  72  25.863   9.897   3.530
  480   3HD2  LEU  72          3HD2      LEU  72  27.392  10.090   4.375
  481    H    ASP  73           H        ASP  73  28.395   4.679   2.429
  482    HA   ASP  73           HA       ASP  73  30.818   5.682   1.172
  483   1HB   ASP  73          2HB       ASP  73  29.975   3.349   0.736
  484   2HB   ASP  73          1HB       ASP  73  28.583   4.019  -0.101
  485    HA   PRO  74           HA       PRO  74  28.649   9.197  -0.635
  486   1HB   PRO  74          2HB       PRO  74  30.691  10.314  -1.983
  487   2HB   PRO  74          1HB       PRO  74  30.655  10.321  -0.235
  488   1HG   PRO  74          2HG       PRO  74  32.128   8.447  -2.048
  489   2HG   PRO  74          1HG       PRO  74  32.710   9.293  -0.603
  490   1HD   PRO  74          2HD       PRO  74  31.906   6.706  -0.569
  491   2HD   PRO  74          1HD       PRO  74  31.747   7.782   0.831
  492    H    HIS  75           H        HIS  75  28.279  10.122  -2.773
  493    HA   HIS  75           HA       HIS  75  27.547  10.002  -4.974
  494   1HB   HIS  75          2HB       HIS  75  29.647   7.793  -5.252
  495   2HB   HIS  75          1HB       HIS  75  28.879   8.666  -6.566
  496    HD1  HIS  75           1HD      HIS  75  31.294   9.226  -3.805
  497    HD2  HIS  75           2HD      HIS  75  29.883  11.257  -7.054
  498    HE1  HIS  75           1HE      HIS  75  32.733  11.215  -4.059
  499    H    THR  76           H        THR  76  27.051   7.706  -2.815
  500    HA   THR  76           HA       THR  76  25.008   6.271  -4.424
  501    HB   THR  76           HB       THR  76  25.668   4.134  -3.210
  502    HG1  THR  76           1HG      THR  76  27.613   4.259  -2.060
  503   1HG2  THR  76          1HG2      THR  76  27.835   3.710  -4.387
  504   2HG2  THR  76          2HG2      THR  76  28.112   5.433  -4.576
  505   3HG2  THR  76          3HG2      THR  76  26.828   4.646  -5.480
  506    H    LYS  77           H        LYS  77  26.341   7.133  -1.414
  507    HA   LYS  77           HA       LYS  77  25.468   7.756   0.664
  508   1HB   LYS  77          2HB       LYS  77  22.911   7.675  -0.758
  509   2HB   LYS  77          1HB       LYS  77  23.115   8.376   0.824
  510   1HG   LYS  77          2HG       LYS  77  24.789   9.986  -0.136
  511   2HG   LYS  77          1HG       LYS  77  24.501   9.317  -1.733
  512   1HD   LYS  77          2HD       LYS  77  22.101   9.983  -1.581
  513   2HD   LYS  77          1HD       LYS  77  22.387  10.650   0.017
  514   1HE   LYS  77          2HE       LYS  77  22.448  12.437  -1.700
  515   2HE   LYS  77          1HE       LYS  77  24.025  12.263  -0.946
  516   1HZ   LYS  77          1HZ       LYS  77  24.893  11.230  -2.793
  517   2HZ   LYS  77          2HZ       LYS  77  23.876  12.408  -3.475
  518   3HZ   LYS  77          3HZ       LYS  77  23.374  10.786  -3.408
  519    H    ALA  78           H        ALA  78  25.426   4.959  -0.631
  520    HA   ALA  78           HA       ALA  78  23.593   3.466   1.169
  521   1HB   ALA  78          1HB       ALA  78  23.698   2.843  -1.243
  522   2HB   ALA  78          2HB       ALA  78  24.257   1.530  -0.211
  523   3HB   ALA  78          3HB       ALA  78  25.420   2.528  -1.074
  524    H    CYS  79           H        CYS  79  24.384   2.375   2.884
  525    HA   CYS  79           HA       CYS  79  27.184   2.835   3.588
  526   1HB   CYS  79          2HB       CYS  79  24.985   1.390   5.029
  527   2HB   CYS  79          1HB       CYS  79  26.590   1.530   5.666
  528    H    LYS  80           H        LYS  80  28.657   1.273   4.174
  529    HA   LYS  80           HA       LYS  80  28.243  -1.572   3.587
  530   1HB   LYS  80          2HB       LYS  80  29.992  -1.814   2.183
  531   2HB   LYS  80          1HB       LYS  80  28.763  -0.857   1.342
  532   1HG   LYS  80          2HG       LYS  80  30.114   1.241   1.944
  533   2HG   LYS  80          1HG       LYS  80  31.380   0.198   2.567
  534   1HD   LYS  80          2HD       LYS  80  31.590  -0.871   0.313
  535   2HD   LYS  80          1HD       LYS  80  30.382   0.242  -0.306
  536   1HE   LYS  80          2HE       LYS  80  32.636   1.124  -0.803
  537   2HE   LYS  80          1HE       LYS  80  31.843   2.160   0.374
  538   1HZ   LYS  80          1HZ       LYS  80  33.860   0.081   0.953
  539   2HZ   LYS  80          2HZ       LYS  80  33.024   0.968   2.135
  540   3HZ   LYS  80          3HZ       LYS  80  34.063   1.765   1.056
  541    H    ALA  81           H        ALA  81  30.324  -2.771   4.182
  542    HA   ALA  81           HA       ALA  81  31.473  -2.052   6.624
  543   1HB   ALA  81          1HB       ALA  81  33.255  -3.694   6.089
  544   2HB   ALA  81          2HB       ALA  81  32.769  -3.674   4.400
  545   3HB   ALA  81          3HB       ALA  81  31.677  -4.303   5.622
  546    H    VAL  82           H        VAL  82  32.809  -0.494   7.267
  547    HA   VAL  82           HA       VAL  82  33.831   1.536   5.718
  548    HB   VAL  82           HB       VAL  82  33.676   1.580   8.183
  549   1HG1  VAL  82          1HG1      VAL  82  35.400   0.450   9.579
  550   2HG1  VAL  82          2HG1      VAL  82  36.116  -0.262   8.142
  551   3HG1  VAL  82          3HG1      VAL  82  34.513  -0.740   8.646
  552   1HG2  VAL  82          1HG2      VAL  82  36.508   2.133   7.200
  553   2HG2  VAL  82          2HG2      VAL  82  35.794   2.775   8.668
  554   3HG2  VAL  82          3HG2      VAL  82  35.150   3.240   7.103
  Start of MODEL    2
    1    H    GLY   1           H        GLY   1 -23.531  -6.706   1.557
    2   1HA   GLY   1          2HA       GLY   1 -23.691  -6.888  -1.228
    3   2HA   GLY   1          1HA       GLY   1 -25.278  -7.349  -0.618
    4    H    THR   2           H        THR   2 -24.863  -5.462   1.733
    5    HA   THR   2           HA       THR   2 -26.186  -3.217   0.661
    6    HB   THR   2           HB       THR   2 -26.427  -4.032   3.049
    7    HG1  THR   2           1HG      THR   2 -26.698  -1.992   3.749
    8   1HG2  THR   2          1HG2      THR   2 -23.825  -2.464   3.405
    9   2HG2  THR   2          2HG2      THR   2 -23.902  -4.218   3.496
   10   3HG2  THR   2          3HG2      THR   2 -24.759  -3.232   4.677
   11    H    ASN   3           H        ASN   3 -25.066  -0.995   1.741
   12    HA   ASN   3           HA       ASN   3 -22.460  -0.688   0.307
   13   1HB   ASN   3          2HB       ASN   3 -24.535   0.361  -0.638
   14   2HB   ASN   3          1HB       ASN   3 -24.639   1.362   0.788
   15   1HD2  ASN   3          1HD2      ASN   3 -24.434   2.936  -1.274
   16   2HD2  ASN   3          2HD2      ASN   3 -22.861   3.510  -1.550
   17    H    GLU   4           H        GLU   4 -21.385  -1.325   2.333
   18    HA   GLU   4           HA       GLU   4 -21.691   0.167   4.766
   19   1HB   GLU   4          2HB       GLU   4 -19.121  -1.256   4.043
   20   2HB   GLU   4          1HB       GLU   4 -19.867  -1.013   5.595
   21   1HG   GLU   4          2HG       GLU   4 -20.112  -3.315   5.174
   22   2HG   GLU   4          1HG       GLU   4 -21.706  -2.633   4.882
   23    H    CYS   5           H        CYS   5 -20.265   0.942   1.839
   24    HA   CYS   5           HA       CYS   5 -17.934   2.302   2.550
   25   1HB   CYS   5          2HB       CYS   5 -19.855   2.847   0.285
   26   2HB   CYS   5          1HB       CYS   5 -18.205   3.354   0.355
   27    H    LEU   6           H        LEU   6 -21.187   3.226   2.326
   28    HA   LEU   6           HA       LEU   6 -21.281   5.965   2.505
   29   1HB   LEU   6          2HB       LEU   6 -23.047   3.965   3.946
   30   2HB   LEU   6          1HB       LEU   6 -23.479   5.616   3.573
   31    HG   LEU   6           HG       LEU   6 -22.799   3.456   1.517
   32   1HD1  LEU   6          1HD1      LEU   6 -25.233   3.572   0.980
   33   2HD1  LEU   6          2HD1      LEU   6 -25.465   4.734   2.276
   34   3HD1  LEU   6          3HD1      LEU   6 -24.976   3.089   2.650
   35   1HD2  LEU   6          1HD2      LEU   6 -23.879   6.296   1.101
   36   2HD2  LEU   6          2HD2      LEU   6 -23.631   5.115  -0.170
   37   3HD2  LEU   6          3HD2      LEU   6 -22.255   5.773   0.684
   38    H    ASP   7           H        ASP   7 -20.989   3.656   5.111
   39    HA   ASP   7           HA       ASP   7 -20.359   5.781   7.129
   40   1HB   ASP   7          2HB       ASP   7 -22.234   4.046   7.517
   41   2HB   ASP   7          1HB       ASP   7 -20.979   2.822   7.451
   42    H    ASN   8           H        ASN   8 -18.915   4.040   8.753
   43    HA   ASN   8           HA       ASN   8 -16.289   4.329   8.014
   44   1HB   ASN   8          2HB       ASN   8 -17.546   2.159   9.528
   45   2HB   ASN   8          1HB       ASN   8 -15.840   2.519   9.660
   46   1HD2  ASN   8          1HD2      ASN   8 -15.369   4.887  10.336
   47   2HD2  ASN   8          2HD2      ASN   8 -16.414   5.590  11.476
   48    H    ASN   9           H        ASN   9 -15.150   3.415   6.266
   49    HA   ASN   9           HA       ASN   9 -16.295   1.779   4.374
   50   1HB   ASN   9          2HB       ASN   9 -13.379   2.186   5.101
   51   2HB   ASN   9          1HB       ASN   9 -13.894   1.362   3.645
   52   1HD2  ASN   9          1HD2      ASN   9 -14.889   4.397   5.349
   53   2HD2  ASN   9          2HD2      ASN   9 -14.903   5.341   3.944
   54    H    GLY  10           H        GLY  10 -17.377   0.103   5.247
   55   1HA   GLY  10          2HA       GLY  10 -17.685  -2.173   5.583
   56   2HA   GLY  10          1HA       GLY  10 -15.945  -2.356   5.447
   57    H    GLY  11           H        GLY  11 -15.911  -0.092   7.550
   58   1HA   GLY  11          2HA       GLY  11 -16.837  -0.241   9.979
   59   2HA   GLY  11          1HA       GLY  11 -15.981  -1.792   9.981
   60    H    CYS  12           H        CYS  12 -14.650   0.667   7.979
   61    HA   CYS  12           HA       CYS  12 -12.751   1.647   9.967
   62   1HB   CYS  12          2HB       CYS  12 -12.202   0.093   7.441
   63   2HB   CYS  12          1HB       CYS  12 -11.014   1.032   8.252
   64    H    SER  13           H        SER  13 -11.321   2.395   7.244
   65    HA   SER  13           HA       SER  13 -13.121   4.218   5.976
   66   1HB   SER  13          2HB       SER  13 -12.000   6.327   6.789
   67   2HB   SER  13          1HB       SER  13 -12.744   5.440   8.124
   68    HG   SER  13           HG       SER  13 -10.141   4.721   7.414
   69    H    HIS  14           H        HIS  14 -11.357   2.162   5.402
   70    HA   HIS  14           HA       HIS  14  -9.303   3.384   3.639
   71   1HB   HIS  14          2HB       HIS  14  -9.656   0.538   4.747
   72   2HB   HIS  14          1HB       HIS  14  -8.307   1.094   3.782
   73    HD1  HIS  14           1HD      HIS  14  -8.324   0.131   6.862
   74    HD2  HIS  14           2HD      HIS  14  -7.828   3.966   5.552
   75    HE1  HIS  14           1HE      HIS  14  -7.163   1.339   8.671
   76    H    VAL  15           H        VAL  15 -10.036   0.237   2.772
   77    HA   VAL  15           HA       VAL  15 -11.979   1.171   0.727
   78    HB   VAL  15           HB       VAL  15  -9.887   0.033   0.010
   79   1HG1  VAL  15          1HG1      VAL  15  -9.567  -1.521   1.880
   80   2HG1  VAL  15          2HG1      VAL  15  -9.615  -2.365   0.338
   81   3HG1  VAL  15          3HG1      VAL  15 -10.996  -2.426   1.416
   82   1HG2  VAL  15          1HG2      VAL  15 -12.453  -1.574  -0.516
   83   2HG2  VAL  15          2HG2      VAL  15 -11.020  -1.633  -1.523
   84   3HG2  VAL  15          3HG2      VAL  15 -11.953  -0.151  -1.413
   85    H    CYS  16           H        CYS  16 -13.944   0.389   0.658
   86    HA   CYS  16           HA       CYS  16 -14.925  -1.258   2.902
   87   1HB   CYS  16          2HB       CYS  16 -17.127  -0.351   2.028
   88   2HB   CYS  16          1HB       CYS  16 -16.008   0.891   2.513
   89    H    ASN  17           H        ASN  17 -14.321  -3.356   2.297
   90    HA   ASN  17           HA       ASN  17 -14.795  -4.290  -0.420
   91   1HB   ASN  17          2HB       ASN  17 -12.870  -4.906   0.800
   92   2HB   ASN  17          1HB       ASN  17 -13.810  -5.331   2.196
   93   1HD2  ASN  17          1HD2      ASN  17 -11.828  -6.806   0.361
   94   2HD2  ASN  17          2HD2      ASN  17 -12.607  -8.261  -0.024
   95    H    ASP  18           H        ASP  18 -16.763  -4.607  -0.986
   96    HA   ASP  18           HA       ASP  18 -18.936  -5.125   0.869
   97   1HB   ASP  18          2HB       ASP  18 -19.208  -3.688  -1.179
   98   2HB   ASP  18          1HB       ASP  18 -18.974  -5.110  -2.172
   99    H    LEU  19           H        LEU  19 -17.744  -7.138   1.584
  100    HA   LEU  19           HA       LEU  19 -17.695  -9.493   0.063
  101   1HB   LEU  19          2HB       LEU  19 -16.634  -8.845   2.391
  102   2HB   LEU  19          1HB       LEU  19 -18.196  -9.258   3.039
  103    HG   LEU  19           HG       LEU  19 -18.032 -11.560   2.124
  104   1HD1  LEU  19          1HD1      LEU  19 -15.812 -12.283   1.261
  105   2HD1  LEU  19          2HD1      LEU  19 -15.223 -10.633   1.422
  106   3HD1  LEU  19          3HD1      LEU  19 -16.460 -11.014   0.244
  107   1HD2  LEU  19          1HD2      LEU  19 -16.358 -12.297   3.794
  108   2HD2  LEU  19          2HD2      LEU  19 -17.375 -11.017   4.412
  109   3HD2  LEU  19          3HD2      LEU  19 -15.738 -10.653   3.899
  110    H    LYS  20           H        LYS  20 -19.148 -11.395   0.409
  111    HA   LYS  20           HA       LYS  20 -21.899 -10.639   0.037
  112   1HB   LYS  20          2HB       LYS  20 -22.301 -13.104   0.030
  113   2HB   LYS  20          1HB       LYS  20 -20.945 -12.647  -0.979
  114   1HG   LYS  20          2HG       LYS  20 -19.364 -13.332   0.868
  115   2HG   LYS  20          1HG       LYS  20 -20.738 -13.815   1.842
  116   1HD   LYS  20          2HD       LYS  20 -19.776 -15.783   0.782
  117   2HD   LYS  20          1HD       LYS  20 -21.389 -15.501   0.162
  118   1HE   LYS  20          2HE       LYS  20 -20.427 -14.455  -1.893
  119   2HE   LYS  20          1HE       LYS  20 -18.806 -14.694  -1.254
  120   1HZ   LYS  20          1HZ       LYS  20 -20.765 -16.697  -2.150
  121   2HZ   LYS  20          2HZ       LYS  20 -19.497 -17.127  -1.106
  122   3HZ   LYS  20          3HZ       LYS  20 -19.153 -16.482  -2.639
  123    H    ILE  21           H        ILE  21 -20.104 -12.088   2.736
  124    HA   ILE  21           HA       ILE  21 -22.025 -11.023   4.684
  125    HB   ILE  21           HB       ILE  21 -21.153 -13.934   4.453
  126   1HG1  ILE  21          2HG1      ILE  21 -23.940 -12.682   4.238
  127   2HG1  ILE  21          1HG1      ILE  21 -23.026 -13.364   2.908
  128   1HG2  ILE  21          1HG2      ILE  21 -22.814 -12.538   6.591
  129   2HG2  ILE  21          2HG2      ILE  21 -21.183 -13.164   6.803
  130   3HG2  ILE  21          3HG2      ILE  21 -22.510 -14.273   6.535
  131   1HD1  ILE  21          1HD1      ILE  21 -24.707 -14.960   3.676
  132   2HD1  ILE  21          2HD1      ILE  21 -24.033 -14.957   5.292
  133   3HD1  ILE  21          3HD1      ILE  21 -23.095 -15.597   3.952
  134    H    GLY  22           H        GLY  22 -20.717  -9.837   5.967
  135   1HA   GLY  22          2HA       GLY  22 -19.122  -9.544   7.649
  136   2HA   GLY  22          1HA       GLY  22 -18.321 -10.983   7.083
  137    H    TYR  23           H        TYR  23 -19.224  -7.977   5.626
  138    HA   TYR  23           HA       TYR  23 -17.423  -7.356   3.710
  139   1HB   TYR  23          2HB       TYR  23 -18.105  -5.305   5.801
  140   2HB   TYR  23          1HB       TYR  23 -17.807  -5.039   4.101
  141    HD1  TYR  23           1HD      TYR  23 -19.345  -6.364   2.421
  142    HD2  TYR  23           2HD      TYR  23 -20.363  -5.641   6.472
  143    HE1  TYR  23           1HE      TYR  23 -21.693  -6.745   1.888
  144    HE2  TYR  23           2HE      TYR  23 -22.729  -6.028   5.952
  145    HH   TYR  23           HH       TYR  23 -24.229  -6.017   4.106
  146    H    GLU  24           H        GLU  24 -15.446  -6.132   3.525
  147    HA   GLU  24           HA       GLU  24 -13.692  -6.527   5.884
  148   1HB   GLU  24          2HB       GLU  24 -12.772  -6.630   3.029
  149   2HB   GLU  24          1HB       GLU  24 -12.022  -7.132   4.502
  150   1HG   GLU  24          2HG       GLU  24 -13.794  -8.813   4.836
  151   2HG   GLU  24          1HG       GLU  24 -14.494  -8.282   3.303
  152    H    CYS  25           H        CYS  25 -11.904  -5.471   6.092
  153    HA   CYS  25           HA       CYS  25 -11.836  -2.651   5.458
  154   1HB   CYS  25          2HB       CYS  25 -12.306  -3.147   7.792
  155   2HB   CYS  25          1HB       CYS  25 -10.979  -4.277   7.837
  156    H    LEU  26           H        LEU  26 -10.586  -3.806   3.418
  157    HA   LEU  26           HA       LEU  26  -7.851  -4.608   4.068
  158   1HB   LEU  26          2HB       LEU  26  -9.137  -3.953   1.386
  159   2HB   LEU  26          1HB       LEU  26  -7.557  -4.589   1.593
  160    HG   LEU  26           HG       LEU  26  -8.407  -6.686   2.493
  161   1HD1  LEU  26          1HD1      LEU  26 -11.146  -5.558   1.865
  162   2HD1  LEU  26          2HD1      LEU  26 -10.545  -5.916   3.475
  163   3HD1  LEU  26          3HD1      LEU  26 -10.794  -7.215   2.330
  164   1HD2  LEU  26          1HD2      LEU  26  -9.398  -7.504   0.350
  165   2HD2  LEU  26          2HD2      LEU  26  -8.035  -6.442   0.047
  166   3HD2  LEU  26          3HD2      LEU  26  -9.675  -5.846  -0.155
  167    H    CYS  27           H        CYS  27  -6.540  -3.302   2.037
  168    HA   CYS  27           HA       CYS  27  -5.799  -0.845   3.338
  169   1HB   CYS  27          2HB       CYS  27  -4.909  -2.040   0.744
  170   2HB   CYS  27          1HB       CYS  27  -4.129  -0.727   1.566
  171    HA   PRO  28           HA       PRO  28  -7.964   1.931   0.607
  172   1HB   PRO  28          2HB       PRO  28  -6.443   4.209   1.166
  173   2HB   PRO  28          1HB       PRO  28  -7.729   3.610   2.160
  174   1HG   PRO  28          2HG       PRO  28  -4.937   3.662   2.755
  175   2HG   PRO  28          1HG       PRO  28  -6.266   3.125   3.784
  176   1HD   PRO  28          2HD       PRO  28  -4.356   1.542   2.223
  177   2HD   PRO  28          1HD       PRO  28  -5.420   1.065   3.561
  178    H    ASP  29           H        ASP  29  -4.584   2.819   0.682
  179    HA   ASP  29           HA       ASP  29  -4.430   3.263  -2.208
  180   1HB   ASP  29          2HB       ASP  29  -2.276   4.296  -1.617
  181   2HB   ASP  29          1HB       ASP  29  -3.513   4.866  -0.524
  182    H    GLY  30           H        GLY  30  -1.625   2.728  -2.320
  183   1HA   GLY  30          2HA       GLY  30  -1.516   0.244  -3.499
  184   2HA   GLY  30          1HA       GLY  30  -0.127   1.179  -3.032
  185    H    PHE  31           H        PHE  31  -0.511   0.921  -0.123
  186    HA   PHE  31           HA       PHE  31   0.942  -1.408   0.353
  187   1HB   PHE  31          2HB       PHE  31  -1.001   0.049   2.183
  188   2HB   PHE  31          1HB       PHE  31   0.253  -1.042   2.736
  189    HD1  PHE  31           1HD      PHE  31  -0.312   2.383   2.357
  190    HD2  PHE  31           2HD      PHE  31   2.525  -0.598   1.438
  191    HE1  PHE  31           1HE      PHE  31   1.430   4.107   2.163
  192    HE2  PHE  31           2HE      PHE  31   4.296   1.098   1.244
  193    HZ   PHE  31           HZ       PHE  31   3.762   3.443   1.623
  194    H    GLN  32           H        GLN  32   0.416  -3.208   1.708
  195    HA   GLN  32           HA       GLN  32  -2.082  -4.606   0.794
  196   1HB   GLN  32          2HB       GLN  32   0.031  -5.591  -0.032
  197   2HB   GLN  32          1HB       GLN  32   0.595  -5.773   1.626
  198   1HG   GLN  32          2HG       GLN  32  -1.302  -7.335   2.097
  199   2HG   GLN  32          1HG       GLN  32  -1.866  -7.143   0.444
  200   1HE2  GLN  32          1HE2      GLN  32  -1.470  -9.656   0.818
  201   2HE2  GLN  32          2HE2      GLN  32   0.044 -10.229   0.308
  202    H    LEU  33           H        LEU  33  -3.261  -5.781   2.254
  203    HA   LEU  33           HA       LEU  33  -3.176  -4.813   5.006
  204   1HB   LEU  33          2HB       LEU  33  -5.314  -5.477   3.697
  205   2HB   LEU  33          1HB       LEU  33  -4.845  -7.147   3.921
  206    HG   LEU  33           HG       LEU  33  -4.781  -6.674   6.451
  207   1HD1  LEU  33          1HD1      LEU  33  -4.607  -4.186   6.324
  208   2HD1  LEU  33          2HD1      LEU  33  -6.028  -4.654   7.230
  209   3HD1  LEU  33          3HD1      LEU  33  -6.187  -4.114   5.572
  210   1HD2  LEU  33          1HD2      LEU  33  -7.477  -6.325   5.081
  211   2HD2  LEU  33          2HD2      LEU  33  -7.231  -6.797   6.747
  212   3HD2  LEU  33          3HD2      LEU  33  -6.699  -7.853   5.451
  213    H    VAL  34           H        VAL  34  -1.477  -5.501   6.165
  214    HA   VAL  34           HA       VAL  34  -0.333  -8.171   5.860
  215    HB   VAL  34           HB       VAL  34   0.329  -5.940   7.850
  216   1HG1  VAL  34          1HG1      VAL  34   1.928  -8.421   7.082
  217   2HG1  VAL  34          2HG1      VAL  34   1.138  -8.175   8.629
  218   3HG1  VAL  34          3HG1      VAL  34   2.471  -7.142   8.155
  219   1HG2  VAL  34          1HG2      VAL  34   0.683  -5.270   5.479
  220   2HG2  VAL  34          2HG2      VAL  34   1.647  -6.712   5.212
  221   3HG2  VAL  34          3HG2      VAL  34   2.212  -5.467   6.313
  222    H    ALA  35           H        ALA  35  -0.973  -6.740   9.021
  223    HA   ALA  35           HA       ALA  35  -1.784  -9.268  10.056
  224   1HB   ALA  35          1HB       ALA  35  -1.877  -8.022  12.238
  225   2HB   ALA  35          2HB       ALA  35  -1.617  -6.529  11.356
  226   3HB   ALA  35          3HB       ALA  35  -0.371  -7.765  11.374
  227    H    GLN  36           H        GLN  36  -3.626  -8.576   8.179
  228    HA   GLN  36           HA       GLN  36  -5.898  -8.404   7.742
  229   1HB   GLN  36          2HB       GLN  36  -6.173  -9.185  10.670
  230   2HB   GLN  36          1HB       GLN  36  -7.431  -9.277   9.463
  231   1HG   GLN  36          2HG       GLN  36  -6.112 -10.919   8.142
  232   2HG   GLN  36          1HG       GLN  36  -4.803 -10.832   9.315
  233   1HE2  GLN  36          1HE2      GLN  36  -5.082 -11.901  11.353
  234   2HE2  GLN  36          2HE2      GLN  36  -6.396 -12.930  11.665
  235    H    ARG  37           H        ARG  37  -4.442  -6.088   9.421
  236    HA   ARG  37           HA       ARG  37  -6.792  -4.361   9.325
  237   1HB   ARG  37          2HB       ARG  37  -6.585  -5.765  11.663
  238   2HB   ARG  37          1HB       ARG  37  -5.431  -4.510  12.033
  239   1HG   ARG  37          2HG       ARG  37  -7.557  -3.806  12.926
  240   2HG   ARG  37          1HG       ARG  37  -7.244  -2.798  11.520
  241   1HD   ARG  37          2HD       ARG  37  -8.673  -4.315  10.107
  242   2HD   ARG  37          1HD       ARG  37  -8.915  -5.365  11.489
  243    HE   ARG  37           HE       ARG  37  -9.754  -2.787  12.285
  244   1HH1  ARG  37          2HH1      ARG  37 -10.570  -5.205   9.945
  245   2HH1  ARG  37          1HH1      ARG  37 -12.246  -4.767   9.906
  246   1HH2  ARG  37          1HH2      ARG  37 -11.876  -2.216  12.255
  247   2HH2  ARG  37          2HH2      ARG  37 -12.997  -3.048  11.229
  248    H    ARG  38           H        ARG  38  -3.507  -4.966  10.153
  249    HA   ARG  38           HA       ARG  38  -2.683  -2.142   9.927
  250   1HB   ARG  38          2HB       ARG  38  -1.667  -3.595  11.697
  251   2HB   ARG  38          1HB       ARG  38  -1.077  -4.685  10.475
  252   1HG   ARG  38          2HG       ARG  38   0.779  -3.381  11.193
  253   2HG   ARG  38          1HG       ARG  38   0.392  -2.906   9.559
  254   1HD   ARG  38          2HD       ARG  38  -0.521  -1.407  12.014
  255   2HD   ARG  38          1HD       ARG  38   0.912  -0.983  11.092
  256    HE   ARG  38           HE       ARG  38  -1.893  -0.544  10.301
  257   1HH1  ARG  38          2HH1      ARG  38   1.442  -0.640   9.309
  258   2HH1  ARG  38          1HH1      ARG  38   1.154   0.339   7.911
  259   1HH2  ARG  38          1HH2      ARG  38  -2.253   0.690   8.535
  260   2HH2  ARG  38          2HH2      ARG  38  -0.949   1.101   7.470
  261    H    CYS  39           H        CYS  39  -2.576  -1.446   7.860
  262    HA   CYS  39           HA       CYS  39  -1.733  -3.325   5.742
  263   1HB   CYS  39          2HB       CYS  39  -3.723  -2.016   5.310
  264   2HB   CYS  39          1HB       CYS  39  -2.829  -0.524   5.530
  265    H    GLU  40           H        GLU  40   0.183  -3.354   4.826
  266    HA   GLU  40           HA       GLU  40   1.809  -0.948   4.483
  267   1HB   GLU  40          2HB       GLU  40   2.387  -1.743   6.802
  268   2HB   GLU  40          1HB       GLU  40   2.823  -3.308   6.141
  269   1HG   GLU  40          2HG       GLU  40   4.614  -2.274   4.782
  270   2HG   GLU  40          1HG       GLU  40   4.122  -0.694   5.345
  271    H    ASP  41           H        ASP  41   3.714  -1.388   3.193
  272    HA   ASP  41           HA       ASP  41   3.179  -3.218   0.996
  273   1HB   ASP  41          2HB       ASP  41   4.122  -0.963   0.525
  274   2HB   ASP  41          1HB       ASP  41   5.475  -1.292   1.569
  275    H    ILE  42           H        ILE  42   4.884  -4.548   0.152
  276    HA   ILE  42           HA       ILE  42   5.695  -6.571   1.908
  277    HB   ILE  42           HB       ILE  42   6.540  -5.844  -0.936
  278   1HG1  ILE  42          2HG1      ILE  42   5.120  -7.765  -1.642
  279   2HG1  ILE  42          1HG1      ILE  42   4.655  -8.037   0.021
  280   1HG2  ILE  42          1HG2      ILE  42   8.353  -7.252  -0.053
  281   2HG2  ILE  42          2HG2      ILE  42   7.418  -8.146  -1.223
  282   3HG2  ILE  42          3HG2      ILE  42   7.187  -8.450   0.491
  283   1HD1  ILE  42          1HD1      ILE  42   4.007  -5.547  -1.605
  284   2HD1  ILE  42          2HD1      ILE  42   3.490  -5.825   0.054
  285   3HD1  ILE  42          3HD1      ILE  42   2.897  -6.852  -1.226
  286    H    ASP  43           H        ASP  43   8.223  -7.233   1.953
  287    HA   ASP  43           HA       ASP  43   9.742  -4.807   2.840
  288   1HB   ASP  43          2HB       ASP  43   9.133  -6.652   4.476
  289   2HB   ASP  43          1HB       ASP  43  10.200  -7.712   3.580
  290    H    GLU  44           H        GLU  44  11.225  -4.115   1.660
  291    HA   GLU  44           HA       GLU  44  12.363  -5.570  -0.580
  292   1HB   GLU  44          2HB       GLU  44  13.038  -2.807   0.491
  293   2HB   GLU  44          1HB       GLU  44  13.412  -3.425  -1.098
  294   1HG   GLU  44          2HG       GLU  44  11.551  -1.937  -1.222
  295   2HG   GLU  44          1HG       GLU  44  10.996  -3.541  -1.659
  296    H    CYS  45           H        CYS  45  13.305  -4.620   2.653
  297    HA   CYS  45           HA       CYS  45  16.072  -4.713   2.513
  298   1HB   CYS  45          2HB       CYS  45  14.318  -5.727   4.774
  299   2HB   CYS  45          1HB       CYS  45  15.985  -5.389   4.870
  300    H    GLN  46           H        GLN  46  13.960  -7.152   3.516
  301    HA   GLN  46           HA       GLN  46  15.376  -9.417   3.948
  302   1HB   GLN  46          2HB       GLN  46  12.769  -9.131   2.445
  303   2HB   GLN  46          1HB       GLN  46  13.370 -10.647   3.039
  304   1HG   GLN  46          2HG       GLN  46  12.774  -8.171   4.742
  305   2HG   GLN  46          1HG       GLN  46  11.734  -9.582   4.646
  306   1HE2  GLN  46          1HE2      GLN  46  13.019 -11.739   5.208
  307   2HE2  GLN  46          2HE2      GLN  46  14.048 -11.632   6.554
  308    H    ASP  47           H        ASP  47  14.663  -8.227   0.753
  309    HA   ASP  47           HA       ASP  47  15.683 -10.528  -0.585
  310   1HB   ASP  47          2HB       ASP  47  13.932  -9.086  -1.592
  311   2HB   ASP  47          1HB       ASP  47  15.074  -7.754  -1.671
  312    HA   PRO  48           HA       PRO  48  19.945  -9.085  -0.358
  313   1HB   PRO  48          2HB       PRO  48  21.163 -11.125  -1.560
  314   2HB   PRO  48          1HB       PRO  48  20.277 -11.376  -0.076
  315   1HG   PRO  48          2HG       PRO  48  19.362 -11.898  -2.878
  316   2HG   PRO  48          1HG       PRO  48  19.232 -12.938  -1.447
  317   1HD   PRO  48          2HD       PRO  48  17.205 -11.334  -2.369
  318   2HD   PRO  48          1HD       PRO  48  17.372 -11.875  -0.687
  319    H    ASP  49           H        ASP  49  18.636  -7.538  -2.141
  320    HA   ASP  49           HA       ASP  49  20.605  -7.252  -4.362
  321   1HB   ASP  49          2HB       ASP  49  18.495  -8.278  -5.287
  322   2HB   ASP  49          1HB       ASP  49  17.587  -6.942  -4.591
  323    H    THR  50           H        THR  50  18.267  -5.983  -2.164
  324    HA   THR  50           HA       THR  50  18.570  -3.203  -2.812
  325    HB   THR  50           HB       THR  50  17.149  -2.969  -0.686
  326    HG1  THR  50           1HG      THR  50  17.436  -4.574   0.628
  327   1HG2  THR  50          1HG2      THR  50  16.305  -5.292  -2.522
  328   2HG2  THR  50          2HG2      THR  50  16.076  -3.603  -2.939
  329   3HG2  THR  50          3HG2      THR  50  15.233  -4.290  -1.568
  330    H    CYS  51           H        CYS  51  18.984  -3.985   0.592
  331    HA   CYS  51           HA       CYS  51  21.333  -2.265   0.696
  332   1HB   CYS  51          2HB       CYS  51  20.122  -3.975   2.864
  333   2HB   CYS  51          1HB       CYS  51  21.006  -2.477   3.037
  334    H    SER  52           H        SER  52  23.534  -2.983   1.316
  335    HA   SER  52           HA       SER  52  24.189  -5.611   0.334
  336   1HB   SER  52          2HB       SER  52  25.791  -3.677   0.206
  337   2HB   SER  52          1HB       SER  52  25.878  -3.656   1.977
  338    HG   SER  52           HG       SER  52  26.356  -5.973   0.428
  339    H    GLN  53           H        GLN  53  23.415  -4.245   3.403
  340    HA   GLN  53           HA       GLN  53  23.570  -6.920   4.674
  341   1HB   GLN  53          2HB       GLN  53  24.816  -4.375   5.716
  342   2HB   GLN  53          1HB       GLN  53  24.566  -5.783   6.715
  343   1HG   GLN  53          2HG       GLN  53  26.231  -5.634   4.194
  344   2HG   GLN  53          1HG       GLN  53  26.858  -5.621   5.841
  345   1HE2  GLN  53          1HE2      GLN  53  26.769  -7.642   3.341
  346   2HE2  GLN  53          2HE2      GLN  53  26.523  -9.130   4.119
  347    H    LEU  54           H        LEU  54  23.206  -4.192   6.732
  348    HA   LEU  54           HA       LEU  54  20.634  -5.063   7.612
  349   1HB   LEU  54          2HB       LEU  54  22.495  -4.402   9.032
  350   2HB   LEU  54          1HB       LEU  54  22.558  -2.830   8.278
  351    HG   LEU  54           HG       LEU  54  20.022  -3.689   9.731
  352   1HD1  LEU  54          1HD1      LEU  54  22.025  -3.938  11.254
  353   2HD1  LEU  54          2HD1      LEU  54  21.004  -2.583  11.723
  354   3HD1  LEU  54          3HD1      LEU  54  22.512  -2.296  10.856
  355   1HD2  LEU  54          1HD2      LEU  54  19.902  -1.215   9.967
  356   2HD2  LEU  54          2HD2      LEU  54  20.152  -1.567   8.274
  357   3HD2  LEU  54          3HD2      LEU  54  21.510  -1.080   9.259
  358    H    CYS  55           H        CYS  55  18.891  -3.719   7.826
  359    HA   CYS  55           HA       CYS  55  18.512  -1.358   6.144
  360   1HB   CYS  55          2HB       CYS  55  18.425  -3.194   4.488
  361   2HB   CYS  55          1HB       CYS  55  17.281  -4.037   5.405
  362    H    VAL  56           H        VAL  56  16.091  -0.794   6.092
  363    HA   VAL  56           HA       VAL  56  14.583  -1.713   8.454
  364    HB   VAL  56           HB       VAL  56  16.028   0.018   9.416
  365   1HG1  VAL  56          1HG1      VAL  56  14.960   1.965   7.333
  366   2HG1  VAL  56          2HG1      VAL  56  16.596   1.331   7.415
  367   3HG1  VAL  56          3HG1      VAL  56  15.990   2.369   8.687
  368   1HG2  VAL  56          1HG2      VAL  56  13.733  -0.083  10.274
  369   2HG2  VAL  56          2HG2      VAL  56  13.190   1.058   9.055
  370   3HG2  VAL  56          3HG2      VAL  56  14.309   1.574  10.304
  371    H    ASN  57           H        ASN  57  13.050  -2.422   7.256
  372    HA   ASN  57           HA       ASN  57  11.690  -0.896   5.177
  373   1HB   ASN  57          2HB       ASN  57  12.079  -3.288   4.874
  374   2HB   ASN  57          1HB       ASN  57  11.184  -3.623   6.351
  375   1HD2  ASN  57          1HD2      ASN  57   9.228  -4.534   5.814
  376   2HD2  ASN  57          2HD2      ASN  57   8.208  -3.990   4.571
  377    H    LEU  58           H        LEU  58   9.490  -0.756   5.065
  378    HA   LEU  58           HA       LEU  58   7.550  -0.926   7.102
  379   1HB   LEU  58          2HB       LEU  58   7.235   1.411   7.831
  380   2HB   LEU  58          1HB       LEU  58   8.811   0.871   8.266
  381    HG   LEU  58           HG       LEU  58   8.401   2.520   5.745
  382   1HD1  LEU  58          1HD1      LEU  58   9.112   3.454   8.588
  383   2HD1  LEU  58          2HD1      LEU  58   7.586   3.786   7.783
  384   3HD1  LEU  58          3HD1      LEU  58   9.074   4.473   7.157
  385   1HD2  LEU  58          1HD2      LEU  58  10.523   1.275   6.029
  386   2HD2  LEU  58          2HD2      LEU  58  10.750   2.000   7.611
  387   3HD2  LEU  58          3HD2      LEU  58  10.795   2.998   6.169
  388    H    GLU  59           H        GLU  59   6.157   1.375   6.506
  389    HA   GLU  59           HA       GLU  59   4.882   0.655   4.001
  390   1HB   GLU  59          2HB       GLU  59   3.689   1.215   6.164
  391   2HB   GLU  59          1HB       GLU  59   4.300   2.846   6.069
  392   1HG   GLU  59          2HG       GLU  59   2.944   3.214   4.035
  393   2HG   GLU  59          1HG       GLU  59   2.341   1.558   4.115
  394    H    GLY  60           H        GLY  60   6.189   0.990   2.475
  395   1HA   GLY  60          2HA       GLY  60   7.089   1.996   0.655
  396   2HA   GLY  60          1HA       GLY  60   6.022   3.336   1.020
  397    H    GLY  61           H        GLY  61   7.575   3.191   3.724
  398   1HA   GLY  61          2HA       GLY  61   9.519   5.290   3.036
  399   2HA   GLY  61          1HA       GLY  61   9.060   4.775   4.654
  400    H    TYR  62           H        TYR  62   9.700   2.044   3.249
  401    HA   TYR  62           HA       TYR  62  11.912   1.219   4.645
  402   1HB   TYR  62          2HB       TYR  62  12.208  -0.573   3.085
  403   2HB   TYR  62          1HB       TYR  62  10.501  -0.161   3.039
  404    HD1  TYR  62           1HD      TYR  62   9.618   1.240   1.070
  405    HD2  TYR  62           2HD      TYR  62  13.595  -0.276   1.223
  406    HE1  TYR  62           1HE      TYR  62   9.884   1.641  -1.332
  407    HE2  TYR  62           2HE      TYR  62  13.864   0.121  -1.161
  408    HH   TYR  62           HH       TYR  62  12.572   1.912  -2.879
  409    H    LYS  63           H        LYS  63  14.066   1.456   4.720
  410    HA   LYS  63           HA       LYS  63  15.511   2.435   2.408
  411   1HB   LYS  63          2HB       LYS  63  16.578   4.081   3.880
  412   2HB   LYS  63          1HB       LYS  63  14.991   4.535   3.335
  413   1HG   LYS  63          2HG       LYS  63  14.224   3.688   5.704
  414   2HG   LYS  63          1HG       LYS  63  15.919   3.413   6.050
  415   1HD   LYS  63          2HD       LYS  63  15.239   5.554   7.019
  416   2HD   LYS  63          1HD       LYS  63  16.427   5.808   5.764
  417   1HE   LYS  63          2HE       LYS  63  14.619   7.476   5.590
  418   2HE   LYS  63          1HE       LYS  63  14.595   6.453   4.168
  419   1HZ   LYS  63          1HZ       LYS  63  12.449   6.273   4.679
  420   2HZ   LYS  63          2HZ       LYS  63  12.674   6.707   6.306
  421   3HZ   LYS  63          3HZ       LYS  63  12.964   5.112   5.803
  422    H    CYS  64           H        CYS  64  17.659   2.261   2.586
  423    HA   CYS  64           HA       CYS  64  18.570   0.020   4.247
  424   1HB   CYS  64          2HB       CYS  64  19.969   1.598   2.109
  425   2HB   CYS  64          1HB       CYS  64  20.620   0.218   2.913
  426    H    GLN  65           H        GLN  65  20.583   0.013   5.225
  427    HA   GLN  65           HA       GLN  65  21.818   2.529   6.146
  428   1HB   GLN  65          2HB       GLN  65  20.892   0.444   8.135
  429   2HB   GLN  65          1HB       GLN  65  21.611   1.977   8.504
  430   1HG   GLN  65          2HG       GLN  65  19.647   3.206   7.656
  431   2HG   GLN  65          1HG       GLN  65  18.853   1.686   7.257
  432   1HE2  GLN  65          1HE2      GLN  65  19.809   3.789   9.911
  433   2HE2  GLN  65          2HE2      GLN  65  18.962   2.949  11.119
  434    H    CYS  66           H        CYS  66  23.500   1.409   7.956
  435    HA   CYS  66           HA       CYS  66  24.919  -0.718   6.402
  436   1HB   CYS  66          2HB       CYS  66  26.080   1.343   8.278
  437   2HB   CYS  66          1HB       CYS  66  26.888   0.303   7.244
  438    H    GLU  67           H        GLU  67  26.166  -2.098   7.408
  439    HA   GLU  67           HA       GLU  67  25.040  -3.259   9.857
  440   1HB   GLU  67          2HB       GLU  67  25.583  -4.547   7.766
  441   2HB   GLU  67          1HB       GLU  67  27.272  -4.258   8.030
  442   1HG   GLU  67          2HG       GLU  67  26.650  -6.505   8.870
  443   2HG   GLU  67          1HG       GLU  67  27.170  -5.506  10.210
  444    H    GLU  68           H        GLU  68  25.987  -1.128  10.816
  445    HA   GLU  68           HA       GLU  68  27.459  -0.138  12.329
  446   1HB   GLU  68          2HB       GLU  68  28.470  -3.025  12.597
  447   2HB   GLU  68          1HB       GLU  68  28.844  -1.724  13.697
  448   1HG   GLU  68          2HG       GLU  68  26.424  -1.471  14.235
  449   2HG   GLU  68          1HG       GLU  68  26.015  -2.702  13.051
  450    H    GLY  69           H        GLY  69  29.742  -2.576  11.261
  451   1HA   GLY  69          2HA       GLY  69  31.951  -0.917  10.927
  452   2HA   GLY  69          1HA       GLY  69  31.791  -2.510  10.203
  453    H    PHE  70           H        PHE  70  29.316  -1.550   8.770
  454    HA   PHE  70           HA       PHE  70  30.638  -0.661   6.413
  455   1HB   PHE  70          2HB       PHE  70  27.812  -1.341   7.132
  456   2HB   PHE  70          1HB       PHE  70  28.151  -0.634   5.561
  457    HD1  PHE  70           1HD      PHE  70  27.439  -2.480   4.263
  458    HD2  PHE  70           2HD      PHE  70  30.339  -3.123   7.312
  459    HE1  PHE  70           1HE      PHE  70  27.884  -4.717   3.386
  460    HE2  PHE  70           2HE      PHE  70  30.766  -5.365   6.444
  461    HZ   PHE  70           HZ       PHE  70  29.545  -6.173   4.467
  462    H    GLN  71           H        GLN  71  29.932   1.238   5.183
  463    HA   GLN  71           HA       GLN  71  28.804   3.427   6.742
  464   1HB   GLN  71          2HB       GLN  71  31.491   3.195   5.469
  465   2HB   GLN  71          1HB       GLN  71  30.735   4.743   5.399
  466   1HG   GLN  71          2HG       GLN  71  31.218   3.141   7.970
  467   2HG   GLN  71          1HG       GLN  71  32.190   4.515   7.445
  468   1HE2  GLN  71          1HE2      GLN  71  30.821   4.662   9.899
  469   2HE2  GLN  71          2HE2      GLN  71  29.554   5.786   9.776
  470    H    LEU  72           H        LEU  72  28.640   5.344   5.455
  471    HA   LEU  72           HA       LEU  72  26.910   4.702   3.161
  472   1HB   LEU  72          2HB       LEU  72  26.320   6.507   4.792
  473   2HB   LEU  72          1HB       LEU  72  27.724   7.419   4.276
  474    HG   LEU  72           HG       LEU  72  26.792   7.359   1.903
  475   1HD1  LEU  72          1HD1      LEU  72  24.401   6.822   1.599
  476   2HD1  LEU  72          2HD1      LEU  72  24.300   6.271   3.260
  477   3HD1  LEU  72          3HD1      LEU  72  25.295   5.404   2.104
  478   1HD2  LEU  72          1HD2      LEU  72  26.470   9.339   3.371
  479   2HD2  LEU  72          2HD2      LEU  72  25.004   8.622   4.027
  480   3HD2  LEU  72          3HD2      LEU  72  25.067   9.103   2.336
  481    H    ASP  73           H        ASP  73  28.054   4.065   1.458
  482    HA   ASP  73           HA       ASP  73  30.615   5.200   0.682
  483   1HB   ASP  73          2HB       ASP  73  29.919   2.839   0.141
  484   2HB   ASP  73          1HB       ASP  73  28.710   3.460  -0.971
  485    HA   PRO  74           HA       PRO  74  28.658   8.658  -1.417
  486   1HB   PRO  74          2HB       PRO  74  30.811   9.816  -2.515
  487   2HB   PRO  74          1HB       PRO  74  30.586   9.798  -0.781
  488   1HG   PRO  74          2HG       PRO  74  32.268   7.959  -2.443
  489   2HG   PRO  74          1HG       PRO  74  32.675   8.816  -0.944
  490   1HD   PRO  74          2HD       PRO  74  31.918   6.210  -0.983
  491   2HD   PRO  74          1HD       PRO  74  31.588   7.288   0.387
  492    H    HIS  75           H        HIS  75  28.410   9.540  -3.515
  493    HA   HIS  75           HA       HIS  75  27.867   9.429  -5.778
  494   1HB   HIS  75          2HB       HIS  75  30.227   7.491  -5.910
  495   2HB   HIS  75          1HB       HIS  75  29.487   8.311  -7.276
  496    HD1  HIS  75           1HD      HIS  75  31.678   8.987  -4.385
  497    HD2  HIS  75           2HD      HIS  75  30.063  11.099  -7.483
  498    HE1  HIS  75           1HE      HIS  75  32.838  11.164  -4.420
  499    H    THR  76           H        THR  76  27.410   7.025  -3.760
  500    HA   THR  76           HA       THR  76  25.723   5.412  -5.606
  501    HB   THR  76           HB       THR  76  26.464   3.332  -4.326
  502    HG1  THR  76           1HG      THR  76  27.135   4.197  -2.472
  503   1HG2  THR  76          1HG2      THR  76  28.895   4.903  -5.395
  504   2HG2  THR  76          2HG2      THR  76  27.816   3.998  -6.444
  505   3HG2  THR  76          3HG2      THR  76  28.784   3.160  -5.242
  506    H    LYS  77           H        LYS  77  26.617   6.338  -2.451
  507    HA   LYS  77           HA       LYS  77  25.484   6.768  -0.454
  508   1HB   LYS  77          2HB       LYS  77  23.103   6.641  -2.140
  509   2HB   LYS  77          1HB       LYS  77  23.162   7.420  -0.583
  510   1HG   LYS  77          2HG       LYS  77  24.599   8.304  -3.136
  511   2HG   LYS  77          1HG       LYS  77  23.309   9.154  -2.318
  512   1HD   LYS  77          2HD       LYS  77  24.767   9.536  -0.340
  513   2HD   LYS  77          1HD       LYS  77  26.083   8.683  -1.128
  514   1HE   LYS  77          2HE       LYS  77  24.785  11.230  -2.172
  515   2HE   LYS  77          1HE       LYS  77  26.367  11.105  -1.419
  516   1HZ   LYS  77          1HZ       LYS  77  26.575   9.280  -3.349
  517   2HZ   LYS  77          2HZ       LYS  77  27.051  10.903  -3.511
  518   3HZ   LYS  77          3HZ       LYS  77  25.534  10.399  -4.086
  519    H    ALA  78           H        ALA  78  25.770   4.043  -1.787
  520    HA   ALA  78           HA       ALA  78  23.721   2.448  -0.354
  521   1HB   ALA  78          1HB       ALA  78  24.642   0.572  -1.696
  522   2HB   ALA  78          2HB       ALA  78  25.878   1.641  -2.343
  523   3HB   ALA  78          3HB       ALA  78  24.189   1.916  -2.739
  524    H    CYS  79           H        CYS  79  24.236   1.180   1.375
  525    HA   CYS  79           HA       CYS  79  26.782   1.685   2.674
  526   1HB   CYS  79          2HB       CYS  79  24.443  -0.007   3.444
  527   2HB   CYS  79          1HB       CYS  79  25.908  -0.004   4.376
  528    H    LYS  80           H        LYS  80  28.404   0.472   3.058
  529    HA   LYS  80           HA       LYS  80  28.487  -2.384   2.509
  530   1HB   LYS  80          2HB       LYS  80  30.353  -2.283   1.135
  531   2HB   LYS  80          1HB       LYS  80  28.936  -1.678   0.268
  532   1HG   LYS  80          2HG       LYS  80  29.700   0.700   0.786
  533   2HG   LYS  80          1HG       LYS  80  31.168   0.062   1.492
  534   1HD   LYS  80          2HD       LYS  80  30.321  -0.303  -1.408
  535   2HD   LYS  80          1HD       LYS  80  31.529   0.830  -0.836
  536   1HE   LYS  80          2HE       LYS  80  32.910  -1.069   0.023
  537   2HE   LYS  80          1HE       LYS  80  31.716  -2.210  -0.582
  538   1HZ   LYS  80          1HZ       LYS  80  32.899  -0.221  -2.384
  539   2HZ   LYS  80          2HZ       LYS  80  32.204  -1.729  -2.747
  540   3HZ   LYS  80          3HZ       LYS  80  33.734  -1.652  -2.011
  541    H    ALA  81           H        ALA  81  30.871  -3.133   3.067
  542    HA   ALA  81           HA       ALA  81  31.744  -2.302   5.580
  543   1HB   ALA  81          1HB       ALA  81  33.893  -3.418   5.031
  544   2HB   ALA  81          2HB       ALA  81  33.454  -3.415   3.329
  545   3HB   ALA  81          3HB       ALA  81  32.522  -4.365   4.476
  546    H    VAL  82           H        VAL  82  32.695  -0.537   6.391
  547    HA   VAL  82           HA       VAL  82  33.219   1.790   5.021
  548    HB   VAL  82           HB       VAL  82  33.056   1.644   7.476
  549   1HG1  VAL  82          1HG1      VAL  82  34.350  -0.491   7.798
  550   2HG1  VAL  82          2HG1      VAL  82  34.967   0.782   8.830
  551   3HG1  VAL  82          3HG1      VAL  82  35.824   0.341   7.363
  552   1HG2  VAL  82          1HG2      VAL  82  34.169   3.637   6.558
  553   2HG2  VAL  82          2HG2      VAL  82  35.723   2.824   6.614
  554   3HG2  VAL  82          3HG2      VAL  82  34.873   3.194   8.103
  Start of MODEL    3
    1    H    GLY   1           H        GLY   1 -27.513  -3.405   5.457
    2   1HA   GLY   1          2HA       GLY   1 -26.004  -3.206   3.029
    3   2HA   GLY   1          1HA       GLY   1 -27.604  -2.513   2.788
    4    H    THR   2           H        THR   2 -26.162  -2.353   5.931
    5    HA   THR   2           HA       THR   2 -26.402   0.412   6.173
    6    HB   THR   2           HB       THR   2 -26.349  -1.010   8.136
    7    HG1  THR   2           1HG      THR   2 -25.456   1.201   8.089
    8   1HG2  THR   2          1HG2      THR   2 -24.192  -1.997   8.887
    9   2HG2  THR   2          2HG2      THR   2 -23.372  -1.328   7.480
   10   3HG2  THR   2          3HG2      THR   2 -24.557  -2.615   7.278
   11    H    ASN   3           H        ASN   3 -24.728   1.885   6.758
   12    HA   ASN   3           HA       ASN   3 -22.437   1.814   4.858
   13   1HB   ASN   3          2HB       ASN   3 -24.209   3.585   4.667
   14   2HB   ASN   3          1HB       ASN   3 -23.784   4.148   6.270
   15   1HD2  ASN   3          1HD2      ASN   3 -23.480   6.128   4.598
   16   2HD2  ASN   3          2HD2      ASN   3 -21.876   6.363   4.091
   17    H    GLU   4           H        GLU   4 -21.558   0.340   6.534
   18    HA   GLU   4           HA       GLU   4 -20.744   1.315   9.108
   19   1HB   GLU   4          2HB       GLU   4 -19.225  -0.801   8.937
   20   2HB   GLU   4          1HB       GLU   4 -20.954  -1.011   8.976
   21   1HG   GLU   4          2HG       GLU   4 -19.821  -2.462   7.306
   22   2HG   GLU   4          1HG       GLU   4 -21.039  -1.450   6.579
   23    H    CYS   5           H        CYS   5 -19.702   2.313   6.205
   24    HA   CYS   5           HA       CYS   5 -16.893   2.393   6.487
   25   1HB   CYS   5          2HB       CYS   5 -18.771   4.143   4.896
   26   2HB   CYS   5          1HB       CYS   5 -17.058   4.111   4.695
   27    H    LEU   6           H        LEU   6 -19.553   4.445   7.200
   28    HA   LEU   6           HA       LEU   6 -18.545   6.885   7.910
   29   1HB   LEU   6          2HB       LEU   6 -20.742   5.349   9.329
   30   2HB   LEU   6          1HB       LEU   6 -20.518   7.081   9.374
   31    HG   LEU   6           HG       LEU   6 -21.153   5.449   6.875
   32   1HD1  LEU   6          1HD1      LEU   6 -23.040   5.643   8.431
   33   2HD1  LEU   6          2HD1      LEU   6 -23.332   6.609   6.992
   34   3HD1  LEU   6          3HD1      LEU   6 -22.837   7.389   8.489
   35   1HD2  LEU   6          1HD2      LEU   6 -21.422   7.667   5.756
   36   2HD2  LEU   6          2HD2      LEU   6 -19.782   7.501   6.338
   37   3HD2  LEU   6          3HD2      LEU   6 -20.931   8.485   7.229
   38    H    ASP   7           H        ASP   7 -18.881   4.101  10.021
   39    HA   ASP   7           HA       ASP   7 -17.274   5.375  12.198
   40   1HB   ASP   7          2HB       ASP   7 -19.512   4.165  12.655
   41   2HB   ASP   7          1HB       ASP   7 -18.724   2.704  12.077
   42    H    ASN   8           H        ASN   8 -16.212   2.977  13.144
   43    HA   ASN   8           HA       ASN   8 -13.742   2.730  11.967
   44   1HB   ASN   8          2HB       ASN   8 -15.350   0.641  13.242
   45   2HB   ASN   8          1HB       ASN   8 -13.611   0.549  13.082
   46   1HD2  ASN   8          1HD2      ASN   8 -12.369   2.376  14.177
   47   2HD2  ASN   8          2HD2      ASN   8 -13.007   3.040  15.603
   48    H    ASN   9           H        ASN   9 -13.313   2.238   9.899
   49    HA   ASN   9           HA       ASN   9 -14.918   1.454   7.852
   50   1HB   ASN   9          2HB       ASN   9 -12.557   2.190   7.692
   51   2HB   ASN   9          1HB       ASN   9 -12.039   0.602   8.251
   52   1HD2  ASN   9          1HD2      ASN   9 -12.459  -1.249   6.857
   53   2HD2  ASN   9          2HD2      ASN   9 -12.672  -1.030   5.198
   54    H    GLY  10           H        GLY  10 -16.453  -0.077   8.579
   55   1HA   GLY  10          2HA       GLY  10 -17.395  -2.180   8.744
   56   2HA   GLY  10          1HA       GLY  10 -16.046  -2.714   7.757
   57    H    GLY  11           H        GLY  11 -14.915  -1.257  10.504
   58   1HA   GLY  11          2HA       GLY  11 -15.006  -2.486  12.794
   59   2HA   GLY  11          1HA       GLY  11 -14.308  -3.821  11.874
   60    H    CYS  12           H        CYS  12 -12.719  -2.191  10.139
   61    HA   CYS  12           HA       CYS  12 -10.491  -1.504  11.956
   62   1HB   CYS  12          2HB       CYS  12  -9.145  -1.816  10.009
   63   2HB   CYS  12          1HB       CYS  12 -10.270  -3.152  10.091
   64    H    SER  13           H        SER  13  -9.557  -0.034   9.377
   65    HA   SER  13           HA       SER  13 -11.145   2.355   9.177
   66   1HB   SER  13          2HB       SER  13  -9.392   3.872  10.215
   67   2HB   SER  13          1HB       SER  13 -10.056   2.745  11.403
   68    HG   SER  13           HG       SER  13  -7.797   2.119   9.812
   69    H    HIS  14           H        HIS  14 -10.168   0.406   7.441
   70    HA   HIS  14           HA       HIS  14  -8.168   1.823   5.772
   71   1HB   HIS  14          2HB       HIS  14  -8.993  -1.111   5.925
   72   2HB   HIS  14          1HB       HIS  14  -7.767  -0.455   4.868
   73    HD1  HIS  14           1HD      HIS  14  -7.616  -2.330   7.632
   74    HD2  HIS  14           2HD      HIS  14  -6.067   1.391   6.977
   75    HE1  HIS  14           1HE      HIS  14  -5.799  -2.031   9.274
   76    H    VAL  15           H        VAL  15  -9.635  -0.573   4.037
   77    HA   VAL  15           HA       VAL  15 -11.484   1.309   2.676
   78    HB   VAL  15           HB       VAL  15  -9.593   0.440   1.420
   79   1HG1  VAL  15          1HG1      VAL  15 -10.691  -2.350   1.891
   80   2HG1  VAL  15          2HG1      VAL  15  -9.197  -1.686   2.524
   81   3HG1  VAL  15          3HG1      VAL  15  -9.394  -1.926   0.799
   82   1HG2  VAL  15          1HG2      VAL  15 -11.764   0.840   0.181
   83   2HG2  VAL  15          2HG2      VAL  15 -12.268  -0.805   0.525
   84   3HG2  VAL  15          3HG2      VAL  15 -10.913  -0.513  -0.547
   85    H    CYS  16           H        CYS  16 -13.565   1.029   3.045
   86    HA   CYS  16           HA       CYS  16 -14.588  -1.387   4.306
   87   1HB   CYS  16          2HB       CYS  16 -16.687  -0.121   4.293
   88   2HB   CYS  16          1HB       CYS  16 -15.405   0.790   5.012
   89    H    ASN  17           H        ASN  17 -14.226  -2.962   2.806
   90    HA   ASN  17           HA       ASN  17 -15.215  -2.820   0.069
   91   1HB   ASN  17          2HB       ASN  17 -13.257  -4.105   0.555
   92   2HB   ASN  17          1HB       ASN  17 -13.987  -4.972   1.871
   93   1HD2  ASN  17          1HD2      ASN  17 -13.822  -7.083   0.974
   94   2HD2  ASN  17          2HD2      ASN  17 -14.550  -7.558  -0.482
   95    H    ASP  18           H        ASP  18 -17.240  -2.419   0.146
   96    HA   ASP  18           HA       ASP  18 -19.094  -3.459   2.066
   97   1HB   ASP  18          2HB       ASP  18 -19.272  -1.239   0.796
   98   2HB   ASP  18          1HB       ASP  18 -19.824  -2.170  -0.584
   99    H    LEU  19           H        LEU  19 -18.957  -5.595   2.052
  100    HA   LEU  19           HA       LEU  19 -19.500  -7.324  -0.127
  101   1HB   LEU  19          2HB       LEU  19 -18.316  -7.684   2.212
  102   2HB   LEU  19          1HB       LEU  19 -19.938  -7.817   2.828
  103    HG   LEU  19           HG       LEU  19 -20.401  -9.742   1.316
  104   1HD1  LEU  19          1HD1      LEU  19 -17.428  -9.425   0.746
  105   2HD1  LEU  19          2HD1      LEU  19 -18.699  -9.113  -0.422
  106   3HD1  LEU  19          3HD1      LEU  19 -18.440 -10.745   0.163
  107   1HD2  LEU  19          1HD2      LEU  19 -19.028 -11.308   2.651
  108   2HD2  LEU  19          2HD2      LEU  19 -19.669 -10.009   3.634
  109   3HD2  LEU  19          3HD2      LEU  19 -17.985  -9.976   3.143
  110    H    LYS  20           H        LYS  20 -21.451  -8.880   0.069
  111    HA   LYS  20           HA       LYS  20 -23.869  -7.292  -0.044
  112   1HB   LYS  20          2HB       LYS  20 -24.954  -9.472  -0.564
  113   2HB   LYS  20          1HB       LYS  20 -23.496  -9.255  -1.511
  114   1HG   LYS  20          2HG       LYS  20 -22.244 -10.725   0.100
  115   2HG   LYS  20          1HG       LYS  20 -23.735 -10.987   0.993
  116   1HD   LYS  20          2HD       LYS  20 -24.806 -11.955  -1.010
  117   2HD   LYS  20          1HD       LYS  20 -23.321 -11.723  -1.920
  118   1HE   LYS  20          2HE       LYS  20 -22.110 -13.209  -0.316
  119   2HE   LYS  20          1HE       LYS  20 -23.606 -13.449   0.578
  120   1HZ   LYS  20          1HZ       LYS  20 -23.488 -15.258  -0.815
  121   2HZ   LYS  20          2HZ       LYS  20 -22.920 -14.356  -2.135
  122   3HZ   LYS  20          3HZ       LYS  20 -24.540 -14.216  -1.646
  123    H    ILE  21           H        ILE  21 -22.587  -9.777   2.142
  124    HA   ILE  21           HA       ILE  21 -24.066  -8.678   4.426
  125    HB   ILE  21           HB       ILE  21 -24.143 -11.578   3.485
  126   1HG1  ILE  21          2HG1      ILE  21 -26.414  -9.549   3.757
  127   2HG1  ILE  21          1HG1      ILE  21 -25.748 -10.135   2.245
  128   1HG2  ILE  21          1HG2      ILE  21 -25.287 -10.287   5.993
  129   2HG2  ILE  21          2HG2      ILE  21 -23.930 -11.404   5.939
  130   3HG2  ILE  21          3HG2      ILE  21 -25.535 -11.969   5.533
  131   1HD1  ILE  21          1HD1      ILE  21 -27.189 -11.881   4.275
  132   2HD1  ILE  21          2HD1      ILE  21 -26.483 -12.431   2.762
  133   3HD1  ILE  21          3HD1      ILE  21 -27.833 -11.311   2.751
  134    H    GLY  22           H        GLY  22 -22.448  -8.322   5.868
  135   1HA   GLY  22          2HA       GLY  22 -20.786  -8.914   7.389
  136   2HA   GLY  22          1HA       GLY  22 -20.531 -10.376   6.474
  137    H    TYR  23           H        TYR  23 -20.403  -7.001   5.823
  138    HA   TYR  23           HA       TYR  23 -18.615  -6.480   3.884
  139   1HB   TYR  23          2HB       TYR  23 -18.534  -4.927   6.473
  140   2HB   TYR  23          1HB       TYR  23 -18.223  -4.329   4.853
  141    HD1  TYR  23           1HD      TYR  23 -20.659  -4.709   7.335
  142    HD2  TYR  23           2HD      TYR  23 -20.263  -4.664   3.111
  143    HE1  TYR  23           1HE      TYR  23 -23.042  -4.201   7.122
  144    HE2  TYR  23           2HE      TYR  23 -22.647  -4.149   2.888
  145    HH   TYR  23           HH       TYR  23 -24.433  -2.922   4.643
  146    H    GLU  24           H        GLU  24 -16.359  -5.686   3.807
  147    HA   GLU  24           HA       GLU  24 -14.576  -7.038   5.772
  148   1HB   GLU  24          2HB       GLU  24 -14.808  -8.490   3.840
  149   2HB   GLU  24          1HB       GLU  24 -14.448  -7.173   2.750
  150   1HG   GLU  24          2HG       GLU  24 -12.534  -8.706   2.990
  151   2HG   GLU  24          1HG       GLU  24 -12.117  -7.104   3.541
  152    H    CYS  25           H        CYS  25 -12.482  -6.459   5.608
  153    HA   CYS  25           HA       CYS  25 -11.947  -3.659   5.038
  154   1HB   CYS  25          2HB       CYS  25 -12.034  -4.095   7.463
  155   2HB   CYS  25          1HB       CYS  25 -10.887  -5.405   7.289
  156    H    LEU  26           H        LEU  26 -11.057  -4.121   2.979
  157    HA   LEU  26           HA       LEU  26  -8.891  -6.069   2.701
  158   1HB   LEU  26          2HB       LEU  26  -9.850  -3.937   0.754
  159   2HB   LEU  26          1HB       LEU  26  -8.889  -5.325   0.395
  160    HG   LEU  26           HG       LEU  26 -11.758  -5.483   1.382
  161   1HD1  LEU  26          1HD1      LEU  26 -12.249  -6.186  -0.981
  162   2HD1  LEU  26          2HD1      LEU  26 -10.577  -5.911  -1.406
  163   3HD1  LEU  26          3HD1      LEU  26 -11.593  -4.563  -0.928
  164   1HD2  LEU  26          1HD2      LEU  26  -9.926  -7.670   0.326
  165   2HD2  LEU  26          2HD2      LEU  26 -11.616  -7.865   0.768
  166   3HD2  LEU  26          3HD2      LEU  26 -10.428  -7.485   2.002
  167    H    CYS  27           H        CYS  27  -7.226  -4.677   1.040
  168    HA   CYS  27           HA       CYS  27  -5.650  -3.167   2.952
  169   1HB   CYS  27          2HB       CYS  27  -5.143  -4.168   0.181
  170   2HB   CYS  27          1HB       CYS  27  -4.000  -3.159   1.007
  171    HA   PRO  28           HA       PRO  28  -6.546   0.815   1.202
  172   1HB   PRO  28          2HB       PRO  28  -4.414   2.182   2.396
  173   2HB   PRO  28          1HB       PRO  28  -5.927   1.833   3.170
  174   1HG   PRO  28          2HG       PRO  28  -3.349   0.713   3.746
  175   2HG   PRO  28          1HG       PRO  28  -4.874   0.484   4.601
  176   1HD   PRO  28          2HD       PRO  28  -3.522  -1.306   2.740
  177   2HD   PRO  28          1HD       PRO  28  -4.887  -1.595   3.840
  178    H    ASP  29           H        ASP  29  -3.064   0.518   1.521
  179    HA   ASP  29           HA       ASP  29  -2.626   1.443  -1.244
  180   1HB   ASP  29          2HB       ASP  29  -0.355   1.863  -0.432
  181   2HB   ASP  29          1HB       ASP  29  -1.497   2.557   0.690
  182    H    GLY  30           H        GLY  30  -0.056   0.289  -1.503
  183   1HA   GLY  30          2HA       GLY  30  -0.592  -2.102  -2.824
  184   2HA   GLY  30          1HA       GLY  30   0.998  -1.498  -2.449
  185    H    PHE  31           H        PHE  31  -0.042  -1.783   0.555
  186    HA   PHE  31           HA       PHE  31   1.414  -4.104   1.206
  187   1HB   PHE  31          2HB       PHE  31  -0.788  -2.612   2.654
  188   2HB   PHE  31          1HB       PHE  31   0.109  -3.907   3.393
  189    HD1  PHE  31           1HD      PHE  31   0.525  -1.892   5.026
  190    HD2  PHE  31           2HD      PHE  31   2.316  -2.150   1.156
  191    HE1  PHE  31           1HE      PHE  31   2.326  -0.399   5.734
  192    HE2  PHE  31           2HE      PHE  31   4.082  -0.671   1.871
  193    HZ   PHE  31           HZ       PHE  31   4.118   0.201   4.157
  194    H    GLN  32           H        GLN  32   0.525  -5.911   2.528
  195    HA   GLN  32           HA       GLN  32  -1.572  -7.343   0.930
  196   1HB   GLN  32          2HB       GLN  32   0.656  -8.408   0.997
  197   2HB   GLN  32          1HB       GLN  32   0.597  -8.432   2.756
  198   1HG   GLN  32          2HG       GLN  32  -1.406  -9.942   2.651
  199   2HG   GLN  32          1HG       GLN  32  -1.316  -9.919   0.893
  200   1HE2  GLN  32          1HE2      GLN  32   0.344 -11.193  -0.116
  201   2HE2  GLN  32          2HE2      GLN  32   1.345 -12.243   0.763
  202    H    LEU  33           H        LEU  33  -3.241  -8.346   1.950
  203    HA   LEU  33           HA       LEU  33  -3.978  -7.240   4.581
  204   1HB   LEU  33          2HB       LEU  33  -5.644  -7.624   2.631
  205   2HB   LEU  33          1HB       LEU  33  -5.495  -9.339   2.940
  206    HG   LEU  33           HG       LEU  33  -6.229  -8.891   5.346
  207   1HD1  LEU  33          1HD1      LEU  33  -6.831  -6.113   4.244
  208   2HD1  LEU  33          2HD1      LEU  33  -5.625  -6.470   5.467
  209   3HD1  LEU  33          3HD1      LEU  33  -7.320  -6.723   5.809
  210   1HD2  LEU  33          1HD2      LEU  33  -7.874  -9.670   3.687
  211   2HD2  LEU  33          2HD2      LEU  33  -8.177  -8.008   3.195
  212   3HD2  LEU  33          3HD2      LEU  33  -8.609  -8.534   4.811
  213    H    VAL  34           H        VAL  34  -2.395  -8.154   5.908
  214    HA   VAL  34           HA       VAL  34  -1.884 -10.991   5.929
  215    HB   VAL  34           HB       VAL  34  -0.329 -10.397   7.763
  216   1HG1  VAL  34          1HG1      VAL  34  -0.179  -8.701   5.230
  217   2HG1  VAL  34          2HG1      VAL  34   0.373 -10.357   5.388
  218   3HG1  VAL  34          3HG1      VAL  34   1.178  -9.076   6.275
  219   1HG2  VAL  34          1HG2      VAL  34  -1.260  -7.559   7.230
  220   2HG2  VAL  34          2HG2      VAL  34   0.121  -8.038   8.206
  221   3HG2  VAL  34          3HG2      VAL  34  -1.495  -8.440   8.734
  222    H    ALA  35           H        ALA  35  -3.139  -8.920   8.550
  223    HA   ALA  35           HA       ALA  35  -3.948 -11.255   9.997
  224   1HB   ALA  35          1HB       ALA  35  -4.368  -8.313  10.569
  225   2HB   ALA  35          2HB       ALA  35  -3.048  -9.290  11.193
  226   3HB   ALA  35          3HB       ALA  35  -4.694  -9.584  11.733
  227    H    GLN  36           H        GLN  36  -5.166 -10.913   7.547
  228    HA   GLN  36           HA       GLN  36  -7.186 -11.145   6.439
  229   1HB   GLN  36          2HB       GLN  36  -8.164 -11.765   9.261
  230   2HB   GLN  36          1HB       GLN  36  -9.097 -12.069   7.811
  231   1HG   GLN  36          2HG       GLN  36  -7.294 -13.587   6.988
  232   2HG   GLN  36          1HG       GLN  36  -6.357 -13.264   8.444
  233   1HE2  GLN  36          1HE2      GLN  36  -9.310 -14.809   7.229
  234   2HE2  GLN  36          2HE2      GLN  36  -9.602 -15.739   8.618
  235    H    ARG  37           H        ARG  37  -6.908  -8.631   8.686
  236    HA   ARG  37           HA       ARG  37  -9.156  -7.175   7.414
  237   1HB   ARG  37          2HB       ARG  37  -8.629  -7.092  10.412
  238   2HB   ARG  37          1HB       ARG  37  -9.790  -6.109   9.556
  239   1HG   ARG  37          2HG       ARG  37 -11.087  -7.796  10.595
  240   2HG   ARG  37          1HG       ARG  37 -10.981  -8.298   8.922
  241   1HD   ARG  37          2HD       ARG  37  -9.149  -9.899   9.540
  242   2HD   ARG  37          1HD       ARG  37  -9.277  -9.358  11.198
  243    HE   ARG  37           HE       ARG  37 -11.839 -10.216  10.236
  244   1HH1  ARG  37          2HH1      ARG  37  -8.725 -11.395  11.206
  245   2HH1  ARG  37          1HH1      ARG  37  -9.336 -12.931  11.713
  246   1HH2  ARG  37          1HH2      ARG  37 -12.637 -12.161  10.874
  247   2HH2  ARG  37          2HH2      ARG  37 -11.585 -13.373  11.525
  248    H    ARG  38           H        ARG  38  -6.274  -7.159   9.416
  249    HA   ARG  38           HA       ARG  38  -5.701  -4.321   8.851
  250   1HB   ARG  38          2HB       ARG  38  -4.169  -6.361  10.520
  251   2HB   ARG  38          1HB       ARG  38  -3.893  -4.655  10.457
  252   1HG   ARG  38          2HG       ARG  38  -6.452  -5.934  11.487
  253   2HG   ARG  38          1HG       ARG  38  -5.153  -5.334  12.492
  254   1HD   ARG  38          2HD       ARG  38  -5.522  -3.019  11.545
  255   2HD   ARG  38          1HD       ARG  38  -6.863  -3.651  10.598
  256    HE   ARG  38           HE       ARG  38  -8.179  -3.675  12.522
  257   1HH1  ARG  38          2HH1      ARG  38  -4.822  -3.474  13.370
  258   2HH1  ARG  38          1HH1      ARG  38  -5.144  -3.233  15.052
  259   1HH2  ARG  38          1HH2      ARG  38  -8.607  -3.373  14.654
  260   2HH2  ARG  38          2HH2      ARG  38  -7.315  -3.176  15.790
  261    H    CYS  39           H        CYS  39  -4.588  -3.852   7.113
  262    HA   CYS  39           HA       CYS  39  -3.004  -5.936   5.744
  263   1HB   CYS  39          2HB       CYS  39  -4.683  -4.607   4.509
  264   2HB   CYS  39          1HB       CYS  39  -3.774  -3.165   4.866
  265    H    GLU  40           H        GLU  40  -0.888  -5.977   5.585
  266    HA   GLU  40           HA       GLU  40   0.764  -3.584   6.061
  267   1HB   GLU  40          2HB       GLU  40   0.421  -4.695   8.290
  268   2HB   GLU  40          1HB       GLU  40   1.119  -6.163   7.632
  269   1HG   GLU  40          2HG       GLU  40   3.254  -4.957   7.176
  270   2HG   GLU  40          1HG       GLU  40   2.555  -3.478   7.806
  271    H    ASP  41           H        ASP  41   2.965  -3.912   5.433
  272    HA   ASP  41           HA       ASP  41   3.355  -5.902   3.279
  273   1HB   ASP  41          2HB       ASP  41   3.347  -3.698   2.642
  274   2HB   ASP  41          1HB       ASP  41   4.524  -3.165   3.822
  275    H    ILE  42           H        ILE  42   5.545  -6.490   2.878
  276    HA   ILE  42           HA       ILE  42   6.695  -7.651   5.207
  277    HB   ILE  42           HB       ILE  42   6.731  -8.875   3.071
  278   1HG1  ILE  42          2HG1      ILE  42   9.134  -9.518   2.908
  279   2HG1  ILE  42          1HG1      ILE  42   9.585  -8.122   3.859
  280   1HG2  ILE  42          1HG2      ILE  42   6.860  -6.972   1.502
  281   2HG2  ILE  42          2HG2      ILE  42   8.110  -8.143   1.150
  282   3HG2  ILE  42          3HG2      ILE  42   8.517  -6.655   1.981
  283   1HD1  ILE  42          1HD1      ILE  42   8.252  -9.027   5.785
  284   2HD1  ILE  42          2HD1      ILE  42   9.488 -10.154   5.263
  285   3HD1  ILE  42          3HD1      ILE  42   7.814 -10.416   4.806
  286    H    ASP  43           H        ASP  43   8.440  -6.988   6.369
  287    HA   ASP  43           HA       ASP  43   9.542  -4.306   5.774
  288   1HB   ASP  43          2HB       ASP  43   8.837  -4.925   8.117
  289   2HB   ASP  43          1HB       ASP  43  10.080  -6.160   8.150
  290    H    GLU  44           H        GLU  44  10.844  -4.605   4.133
  291    HA   GLU  44           HA       GLU  44  12.640  -6.822   3.796
  292   1HB   GLU  44          2HB       GLU  44  13.461  -5.516   1.841
  293   2HB   GLU  44          1HB       GLU  44  11.731  -5.674   1.866
  294   1HG   GLU  44          2HG       GLU  44  13.191  -3.180   2.811
  295   2HG   GLU  44          1HG       GLU  44  12.504  -3.397   1.217
  296    H    CYS  45           H        CYS  45  12.951  -3.898   5.717
  297    HA   CYS  45           HA       CYS  45  15.736  -3.595   5.406
  298   1HB   CYS  45          2HB       CYS  45  13.879  -2.859   7.671
  299   2HB   CYS  45          1HB       CYS  45  15.560  -2.562   7.739
  300    H    GLN  46           H        GLN  46  13.895  -4.935   8.025
  301    HA   GLN  46           HA       GLN  46  15.709  -6.037   9.716
  302   1HB   GLN  46          2HB       GLN  46  13.100  -7.263   8.756
  303   2HB   GLN  46          1HB       GLN  46  13.945  -7.759  10.197
  304   1HG   GLN  46          2HG       GLN  46  12.863  -4.952   9.662
  305   2HG   GLN  46          1HG       GLN  46  12.103  -6.129  10.717
  306   1HE2  GLN  46          1HE2      GLN  46  13.708  -6.980  12.513
  307   2HE2  GLN  46          2HE2      GLN  46  14.677  -5.795  13.248
  308    H    ASP  47           H        ASP  47  14.615  -7.460   6.729
  309    HA   ASP  47           HA       ASP  47  16.130  -9.853   7.020
  310   1HB   ASP  47          2HB       ASP  47  14.019  -9.823   5.741
  311   2HB   ASP  47          1HB       ASP  47  14.710  -8.683   4.598
  312    HA   PRO  48           HA       PRO  48  19.840  -7.934   5.344
  313   1HB   PRO  48          2HB       PRO  48  21.499 -10.050   5.422
  314   2HB   PRO  48          1HB       PRO  48  20.889  -9.333   6.893
  315   1HG   PRO  48          2HG       PRO  48  19.912 -11.783   5.487
  316   2HG   PRO  48          1HG       PRO  48  20.193 -11.517   7.216
  317   1HD   PRO  48          2HD       PRO  48  17.730 -11.363   6.015
  318   2HD   PRO  48          1HD       PRO  48  18.165 -10.530   7.520
  319    H    ASP  49           H        ASP  49  18.577  -7.651   3.361
  320    HA   ASP  49           HA       ASP  49  19.838  -9.079   1.088
  321   1HB   ASP  49          2HB       ASP  49  17.635 -10.149   1.430
  322   2HB   ASP  49          1HB       ASP  49  16.854  -8.573   1.452
  323    H    THR  50           H        THR  50  17.934  -6.422   2.328
  324    HA   THR  50           HA       THR  50  18.197  -4.697   0.061
  325    HB   THR  50           HB       THR  50  17.332  -2.977   1.789
  326    HG1  THR  50           1HG      THR  50  16.654  -4.433   3.715
  327   1HG2  THR  50          1HG2      THR  50  15.877  -5.675   1.773
  328   2HG2  THR  50          2HG2      THR  50  15.727  -4.478   0.495
  329   3HG2  THR  50          3HG2      THR  50  15.162  -4.104   2.115
  330    H    CYS  51           H        CYS  51  19.267  -3.425   3.150
  331    HA   CYS  51           HA       CYS  51  21.671  -2.313   1.881
  332   1HB   CYS  51          2HB       CYS  51  20.642  -2.080   4.700
  333   2HB   CYS  51          1HB       CYS  51  21.718  -0.978   3.877
  334    H    SER  52           H        SER  52  23.778  -2.439   3.322
  335    HA   SER  52           HA       SER  52  24.402  -5.242   3.683
  336   1HB   SER  52          2HB       SER  52  26.134  -3.552   2.956
  337   2HB   SER  52          1HB       SER  52  26.013  -2.790   4.555
  338    HG   SER  52           HG       SER  52  27.655  -4.366   4.488
  339    H    GLN  53           H        GLN  53  23.835  -2.507   5.798
  340    HA   GLN  53           HA       GLN  53  23.370  -4.355   8.095
  341   1HB   GLN  53          2HB       GLN  53  24.907  -1.731   8.138
  342   2HB   GLN  53          1HB       GLN  53  24.446  -2.642   9.564
  343   1HG   GLN  53          2HG       GLN  53  26.208  -3.669   7.321
  344   2HG   GLN  53          1HG       GLN  53  26.812  -3.066   8.855
  345   1HE2  GLN  53          1HE2      GLN  53  25.323  -4.237  10.770
  346   2HE2  GLN  53          2HE2      GLN  53  25.342  -5.930  10.648
  347    H    LEU  54           H        LEU  54  23.262  -0.860   8.461
  348    HA   LEU  54           HA       LEU  54  20.605  -0.990   9.415
  349   1HB   LEU  54          2HB       LEU  54  22.196   1.357   8.461
  350   2HB   LEU  54          1HB       LEU  54  20.651   1.465   9.270
  351    HG   LEU  54           HG       LEU  54  23.269   0.536  10.462
  352   1HD1  LEU  54          1HD1      LEU  54  21.271   2.774  10.985
  353   2HD1  LEU  54          2HD1      LEU  54  22.791   2.983  10.142
  354   3HD1  LEU  54          3HD1      LEU  54  22.785   2.551  11.855
  355   1HD2  LEU  54          1HD2      LEU  54  21.324  -0.832  11.316
  356   2HD2  LEU  54          2HD2      LEU  54  20.481   0.670  11.683
  357   3HD2  LEU  54          3HD2      LEU  54  21.967   0.256  12.536
  358    H    CYS  55           H        CYS  55  18.972   0.258   8.880
  359    HA   CYS  55           HA       CYS  55  18.426   1.068   6.126
  360   1HB   CYS  55          2HB       CYS  55  18.294  -1.408   5.998
  361   2HB   CYS  55          1HB       CYS  55  17.142  -1.433   7.266
  362    H    VAL  56           H        VAL  56  15.896   1.354   5.947
  363    HA   VAL  56           HA       VAL  56  14.651   2.322   8.452
  364    HB   VAL  56           HB       VAL  56  14.985   4.073   5.958
  365   1HG1  VAL  56          1HG1      VAL  56  13.741   4.706   8.668
  366   2HG1  VAL  56          2HG1      VAL  56  12.856   4.473   7.170
  367   3HG1  VAL  56          3HG1      VAL  56  13.927   5.850   7.349
  368   1HG2  VAL  56          1HG2      VAL  56  16.410   5.549   7.351
  369   2HG2  VAL  56          2HG2      VAL  56  17.113   3.952   7.190
  370   3HG2  VAL  56          3HG2      VAL  56  16.301   4.406   8.682
  371    H    ASN  57           H        ASN  57  12.940   1.015   8.317
  372    HA   ASN  57           HA       ASN  57  11.749   0.260   5.753
  373   1HB   ASN  57          2HB       ASN  57  11.897  -1.357   7.644
  374   2HB   ASN  57          1HB       ASN  57  10.862  -0.310   8.590
  375   1HD2  ASN  57          1HD2      ASN  57   9.045  -1.642   8.823
  376   2HD2  ASN  57          2HD2      ASN  57   8.120  -2.194   7.511
  377    H    LEU  58           H        LEU  58   9.642   0.474   5.307
  378    HA   LEU  58           HA       LEU  58   7.636   2.193   6.378
  379   1HB   LEU  58          2HB       LEU  58   7.750   4.139   4.868
  380   2HB   LEU  58          1HB       LEU  58   9.201   4.052   5.804
  381    HG   LEU  58           HG       LEU  58   9.088   3.008   2.941
  382   1HD1  LEU  58          1HD1      LEU  58   8.618   5.478   3.027
  383   2HD1  LEU  58          2HD1      LEU  58  10.197   5.153   2.334
  384   3HD1  LEU  58          3HD1      LEU  58  10.065   5.717   3.993
  385   1HD2  LEU  58          1HD2      LEU  58  10.970   2.158   4.338
  386   2HD2  LEU  58          2HD2      LEU  58  11.377   3.809   4.786
  387   3HD2  LEU  58          3HD2      LEU  58  11.546   3.272   3.135
  388    H    GLU  59           H        GLU  59   6.759   3.095   3.858
  389    HA   GLU  59           HA       GLU  59   5.425   0.705   2.938
  390   1HB   GLU  59          2HB       GLU  59   4.302   3.010   3.102
  391   2HB   GLU  59          1HB       GLU  59   5.360   3.569   1.825
  392   1HG   GLU  59          2HG       GLU  59   4.292   1.972   0.220
  393   2HG   GLU  59          1HG       GLU  59   3.302   1.331   1.513
  394    H    GLY  60           H        GLY  60   7.111  -0.425   2.544
  395   1HA   GLY  60          2HA       GLY  60   8.389  -1.684   1.217
  396   2HA   GLY  60          1HA       GLY  60   7.371  -1.103  -0.090
  397    H    GLY  61           H        GLY  61   8.500   1.627   0.989
  398   1HA   GLY  61          2HA       GLY  61  10.642   1.865  -1.024
  399   2HA   GLY  61          1HA       GLY  61   9.909   3.181  -0.129
  400    H    TYR  62           H        TYR  62  11.334   0.355   1.302
  401    HA   TYR  62           HA       TYR  62  12.749   1.394   3.362
  402   1HB   TYR  62          2HB       TYR  62  14.222  -0.509   3.338
  403   2HB   TYR  62          1HB       TYR  62  12.663  -1.018   2.720
  404    HD1  TYR  62           1HD      TYR  62  16.157  -0.685   2.017
  405    HD2  TYR  62           2HD      TYR  62  12.369  -1.183   0.139
  406    HE1  TYR  62           1HE      TYR  62  17.277  -1.406  -0.022
  407    HE2  TYR  62           2HE      TYR  62  13.492  -1.907  -1.910
  408    HH   TYR  62           HH       TYR  62  16.108  -3.084  -2.261
  409    H    LYS  63           H        LYS  63  14.539   2.581   3.833
  410    HA   LYS  63           HA       LYS  63  16.336   3.392   1.603
  411   1HB   LYS  63          2HB       LYS  63  15.684   4.821   4.159
  412   2HB   LYS  63          1HB       LYS  63  16.637   5.420   2.848
  413   1HG   LYS  63          2HG       LYS  63  14.664   5.327   1.310
  414   2HG   LYS  63          1HG       LYS  63  13.668   4.778   2.638
  415   1HD   LYS  63          2HD       LYS  63  15.028   7.494   2.465
  416   2HD   LYS  63          1HD       LYS  63  13.333   7.184   2.179
  417   1HE   LYS  63          2HE       LYS  63  13.554   8.095   4.420
  418   2HE   LYS  63          1HE       LYS  63  13.118   6.402   4.576
  419   1HZ   LYS  63          1HZ       LYS  63  15.949   6.838   4.498
  420   2HZ   LYS  63          2HZ       LYS  63  15.010   5.936   5.589
  421   3HZ   LYS  63          3HZ       LYS  63  15.185   7.609   5.802
  422    H    CYS  64           H        CYS  64  18.553   3.717   2.333
  423    HA   CYS  64           HA       CYS  64  19.306   1.832   4.486
  424   1HB   CYS  64          2HB       CYS  64  20.872   2.898   2.177
  425   2HB   CYS  64          1HB       CYS  64  21.470   1.817   3.381
  426    H    GLN  65           H        GLN  65  21.141   2.170   5.633
  427    HA   GLN  65           HA       GLN  65  22.217   4.883   6.155
  428   1HB   GLN  65          2HB       GLN  65  21.266   3.197   8.493
  429   2HB   GLN  65          1HB       GLN  65  21.796   4.837   8.497
  430   1HG   GLN  65          2HG       GLN  65  19.831   5.636   7.302
  431   2HG   GLN  65          1HG       GLN  65  19.216   3.993   7.168
  432   1HE2  GLN  65          1HE2      GLN  65  19.039   2.818   9.401
  433   2HE2  GLN  65          2HE2      GLN  65  18.435   3.750  10.686
  434    H    CYS  66           H        CYS  66  23.863   4.215   8.236
  435    HA   CYS  66           HA       CYS  66  25.274   1.766   7.329
  436   1HB   CYS  66          2HB       CYS  66  26.590   4.295   8.213
  437   2HB   CYS  66          1HB       CYS  66  27.260   2.905   7.595
  438    H    GLU  67           H        GLU  67  26.556   0.755   8.649
  439    HA   GLU  67           HA       GLU  67  25.821   0.743  11.507
  440   1HB   GLU  67          2HB       GLU  67  25.875  -1.292  10.112
  441   2HB   GLU  67          1HB       GLU  67  27.576  -1.095   9.795
  442   1HG   GLU  67          2HG       GLU  67  26.363  -1.629  12.544
  443   2HG   GLU  67          1HG       GLU  67  27.024  -2.870  11.506
  444    H    GLU  68           H        GLU  68  26.749   2.865  11.656
  445    HA   GLU  68           HA       GLU  68  28.334   4.422  12.264
  446   1HB   GLU  68          2HB       GLU  68  29.439   1.910  13.593
  447   2HB   GLU  68          1HB       GLU  68  29.971   3.527  13.988
  448   1HG   GLU  68          2HG       GLU  68  28.264   2.764  15.604
  449   2HG   GLU  68          1HG       GLU  68  27.650   4.124  14.691
  450    H    GLY  69           H        GLY  69  30.625   1.779  12.024
  451   1HA   GLY  69          2HA       GLY  69  32.706   3.250  10.873
  452   2HA   GLY  69          1HA       GLY  69  32.609   1.494  10.888
  453    H    PHE  70           H        PHE  70  29.936   1.761   9.413
  454    HA   PHE  70           HA       PHE  70  31.038   1.543   6.808
  455   1HB   PHE  70          2HB       PHE  70  28.262   1.371   7.940
  456   2HB   PHE  70          1HB       PHE  70  28.528   1.243   6.210
  457    HD1  PHE  70           1HD      PHE  70  30.797  -0.248   8.788
  458    HD2  PHE  70           2HD      PHE  70  27.639  -0.952   6.023
  459    HE1  PHE  70           1HE      PHE  70  31.093  -2.656   9.079
  460    HE2  PHE  70           2HE      PHE  70  27.955  -3.366   6.306
  461    HZ   PHE  70           HZ       PHE  70  29.673  -4.228   7.832
  462    H    GLN  71           H        GLN  71  30.288   2.762   4.972
  463    HA   GLN  71           HA       GLN  71  29.290   5.454   5.523
  464   1HB   GLN  71          2HB       GLN  71  31.787   4.568   4.134
  465   2HB   GLN  71          1HB       GLN  71  31.002   5.973   3.516
  466   1HG   GLN  71          2HG       GLN  71  31.843   5.609   6.441
  467   2HG   GLN  71          1HG       GLN  71  32.726   6.574   5.261
  468   1HE2  GLN  71          1HE2      GLN  71  31.682   7.841   7.541
  469   2HE2  GLN  71          2HE2      GLN  71  30.389   8.849   7.100
  470    H    LEU  72           H        LEU  72  28.889   6.605   3.581
  471    HA   LEU  72           HA       LEU  72  26.914   5.053   2.045
  472   1HB   LEU  72          2HB       LEU  72  26.460   7.394   2.799
  473   2HB   LEU  72          1HB       LEU  72  27.723   7.969   1.730
  474    HG   LEU  72           HG       LEU  72  26.472   6.880  -0.206
  475   1HD1  LEU  72          1HD1      LEU  72  25.128   5.226   1.053
  476   2HD1  LEU  72          2HD1      LEU  72  24.092   6.287   0.125
  477   3HD1  LEU  72          3HD1      LEU  72  24.262   6.527   1.854
  478   1HD2  LEU  72          1HD2      LEU  72  24.725   8.656  -0.325
  479   2HD2  LEU  72          2HD2      LEU  72  26.243   9.310   0.275
  480   3HD2  LEU  72          3HD2      LEU  72  24.929   8.970   1.394
  481    H    ASP  73           H        ASP  73  27.843   3.716   0.657
  482    HA   ASP  73           HA       ASP  73  30.207   4.326  -0.901
  483   1HB   ASP  73          2HB       ASP  73  29.457   1.969  -0.323
  484   2HB   ASP  73          1HB       ASP  73  28.109   2.161  -1.431
  485    HA   PRO  74           HA       PRO  74  27.879   6.714  -3.925
  486   1HB   PRO  74          2HB       PRO  74  29.823   7.259  -5.683
  487   2HB   PRO  74          1HB       PRO  74  29.859   7.939  -4.074
  488   1HG   PRO  74          2HG       PRO  74  31.314   5.528  -5.091
  489   2HG   PRO  74          1HG       PRO  74  31.918   6.893  -4.133
  490   1HD   PRO  74          2HD       PRO  74  31.218   4.517  -3.012
  491   2HD   PRO  74          1HD       PRO  74  31.076   6.069  -2.162
  492    H    HIS  75           H        HIS  75  27.310   6.686  -6.137
  493    HA   HIS  75           HA       HIS  75  26.448   5.693  -8.061
  494   1HB   HIS  75          2HB       HIS  75  28.819   3.793  -7.746
  495   2HB   HIS  75          1HB       HIS  75  27.875   4.038  -9.207
  496    HD1  HIS  75           1HD      HIS  75  30.417   5.729  -7.134
  497    HD2  HIS  75           2HD      HIS  75  28.367   6.490 -10.582
  498    HE1  HIS  75           1HE      HIS  75  31.516   7.676  -8.180
  499    H    THR  76           H        THR  76  26.346   4.325  -5.212
  500    HA   THR  76           HA       THR  76  24.504   2.128  -6.011
  501    HB   THR  76           HB       THR  76  25.434   0.773  -4.067
  502    HG1  THR  76           1HG      THR  76  27.374   2.827  -4.096
  503   1HG2  THR  76          1HG2      THR  76  26.530   0.451  -6.403
  504   2HG2  THR  76          2HG2      THR  76  27.647   0.187  -5.073
  505   3HG2  THR  76          3HG2      THR  76  27.686   1.698  -5.966
  506    H    LYS  77           H        LYS  77  25.682   4.296  -3.655
  507    HA   LYS  77           HA       LYS  77  24.713   5.550  -1.937
  508   1HB   LYS  77          2HB       LYS  77  22.213   4.679  -3.187
  509   2HB   LYS  77          1HB       LYS  77  22.302   5.941  -1.988
  510   1HG   LYS  77          2HG       LYS  77  23.842   7.226  -3.508
  511   2HG   LYS  77          1HG       LYS  77  23.641   5.987  -4.738
  512   1HD   LYS  77          2HD       LYS  77  21.184   6.428  -4.781
  513   2HD   LYS  77          1HD       LYS  77  21.391   7.671  -3.558
  514   1HE   LYS  77          2HE       LYS  77  22.880   8.946  -5.096
  515   2HE   LYS  77          1HE       LYS  77  22.675   7.703  -6.326
  516   1HZ   LYS  77          1HZ       LYS  77  20.477   9.290  -5.135
  517   2HZ   LYS  77          2HZ       LYS  77  20.338   8.155  -6.391
  518   3HZ   LYS  77          3HZ       LYS  77  21.203   9.596  -6.641
  519    H    ALA  78           H        ALA  78  25.035   2.508  -1.995
  520    HA   ALA  78           HA       ALA  78  23.296   1.693   0.277
  521   1HB   ALA  78          1HB       ALA  78  25.153   0.078  -1.522
  522   2HB   ALA  78          2HB       ALA  78  23.408   0.187  -1.708
  523   3HB   ALA  78          3HB       ALA  78  24.094  -0.596  -0.290
  524    H    CYS  79           H        CYS  79  24.199   1.230   2.251
  525    HA   CYS  79           HA       CYS  79  26.913   2.213   2.682
  526   1HB   CYS  79          2HB       CYS  79  24.848   1.194   4.560
  527   2HB   CYS  79          1HB       CYS  79  26.427   1.665   5.095
  528    H    LYS  80           H        LYS  80  28.585   1.266   3.526
  529    HA   LYS  80           HA       LYS  80  28.649  -1.519   4.359
  530   1HB   LYS  80          2HB       LYS  80  30.234  -2.196   2.859
  531   2HB   LYS  80          1HB       LYS  80  28.696  -1.969   2.064
  532   1HG   LYS  80          2HG       LYS  80  30.154  -1.079   0.422
  533   2HG   LYS  80          1HG       LYS  80  29.533   0.322   1.241
  534   1HD   LYS  80          2HD       LYS  80  31.842   0.694   0.776
  535   2HD   LYS  80          1HD       LYS  80  31.723   0.522   2.500
  536   1HE   LYS  80          2HE       LYS  80  32.608  -1.653   0.556
  537   2HE   LYS  80          1HE       LYS  80  33.678  -0.717   1.581
  538   1HZ   LYS  80          1HZ       LYS  80  32.114  -1.672   3.428
  539   2HZ   LYS  80          2HZ       LYS  80  33.441  -2.545   2.838
  540   3HZ   LYS  80          3HZ       LYS  80  31.878  -2.896   2.273
  541    H    ALA  81           H        ALA  81  30.874  -2.092   5.121
  542    HA   ALA  81           HA       ALA  81  32.104  -0.324   6.843
  543   1HB   ALA  81          1HB       ALA  81  34.093  -1.804   6.733
  544   2HB   ALA  81          2HB       ALA  81  33.464  -2.528   5.260
  545   3HB   ALA  81          3HB       ALA  81  32.600  -2.729   6.776
  546    H    VAL  82           H        VAL  82  33.088   1.573   6.622
  547    HA   VAL  82           HA       VAL  82  33.746   2.874   4.291
  548    HB   VAL  82           HB       VAL  82  33.636   3.943   6.519
  549   1HG1  VAL  82          1HG1      VAL  82  35.562   3.787   8.090
  550   2HG1  VAL  82          2HG1      VAL  82  36.356   2.639   7.026
  551   3HG1  VAL  82          3HG1      VAL  82  34.872   2.195   7.835
  552   1HG2  VAL  82          1HG2      VAL  82  35.521   5.522   6.261
  553   2HG2  VAL  82          2HG2      VAL  82  34.765   5.176   4.716
  554   3HG2  VAL  82          3HG2      VAL  82  36.300   4.429   5.130
  Start of MODEL    4
    1    H    GLY   1           H        GLY   1 -26.033   4.312  -1.956
    2   1HA   GLY   1          2HA       GLY   1 -23.595   4.024  -0.586
    3   2HA   GLY   1          1HA       GLY   1 -24.684   5.396  -0.381
    4    H    THR   2           H        THR   2 -24.297   2.017   0.607
    5    HA   THR   2           HA       THR   2 -26.023   1.986   2.784
    6    HB   THR   2           HB       THR   2 -25.135  -0.046   1.827
    7    HG1  THR   2           1HG      THR   2 -24.568  -1.030   3.793
    8   1HG2  THR   2          1HG2      THR   2 -22.764  -0.699   2.293
    9   2HG2  THR   2          2HG2      THR   2 -22.507   0.813   3.152
   10   3HG2  THR   2          3HG2      THR   2 -22.767   0.823   1.414
   11    H    ASN   3           H        ASN   3 -25.368   1.600   5.026
   12    HA   ASN   3           HA       ASN   3 -23.576   3.774   5.954
   13   1HB   ASN   3          2HB       ASN   3 -26.025   3.688   6.674
   14   2HB   ASN   3          1HB       ASN   3 -25.706   2.156   7.457
   15   1HD2  ASN   3          1HD2      ASN   3 -24.641   5.592   7.571
   16   2HD2  ASN   3          2HD2      ASN   3 -24.292   5.581   9.232
   17    H    GLU   4           H        GLU   4 -22.624   1.331   5.039
   18    HA   GLU   4           HA       GLU   4 -21.429  -0.025   7.373
   19   1HB   GLU   4          2HB       GLU   4 -21.204  -0.448   4.353
   20   2HB   GLU   4          1HB       GLU   4 -20.492  -1.489   5.563
   21   1HG   GLU   4          2HG       GLU   4 -22.656  -2.074   6.485
   22   2HG   GLU   4          1HG       GLU   4 -23.481  -0.877   5.525
   23    H    CYS   5           H        CYS   5 -20.711   2.094   4.679
   24    HA   CYS   5           HA       CYS   5 -17.921   2.305   5.250
   25   1HB   CYS   5          2HB       CYS   5 -19.760   3.892   3.449
   26   2HB   CYS   5          1HB       CYS   5 -18.027   4.033   3.451
   27    H    LEU   6           H        LEU   6 -20.823   4.159   5.573
   28    HA   LEU   6           HA       LEU   6 -19.918   6.564   6.624
   29   1HB   LEU   6          2HB       LEU   6 -22.472   5.073   7.185
   30   2HB   LEU   6          1HB       LEU   6 -22.236   6.772   7.477
   31    HG   LEU   6           HG       LEU   6 -22.124   5.346   4.766
   32   1HD1  LEU   6          1HD1      LEU   6 -24.127   7.359   5.875
   33   2HD1  LEU   6          2HD1      LEU   6 -24.433   5.648   5.640
   34   3HD1  LEU   6          3HD1      LEU   6 -24.158   6.683   4.251
   35   1HD2  LEU   6          1HD2      LEU   6 -20.545   7.292   4.777
   36   2HD2  LEU   6          2HD2      LEU   6 -21.837   8.337   5.344
   37   3HD2  LEU   6          3HD2      LEU   6 -21.922   7.611   3.747
   38    H    ASP   7           H        ASP   7 -20.821   3.591   8.195
   39    HA   ASP   7           HA       ASP   7 -20.085   4.598  10.917
   40   1HB   ASP   7          2HB       ASP   7 -22.235   3.231  10.459
   41   2HB   ASP   7          1HB       ASP   7 -21.163   1.903  10.024
   42    H    ASN   8           H        ASN   8 -19.120   2.164  11.864
   43    HA   ASN   8           HA       ASN   8 -16.400   2.260  11.358
   44   1HB   ASN   8          2HB       ASN   8 -18.107   0.043  12.212
   45   2HB   ASN   8          1HB       ASN   8 -16.364  -0.012  12.390
   46   1HD2  ASN   8          1HD2      ASN   8 -19.331   1.287  13.727
   47   2HD2  ASN   8          2HD2      ASN   8 -18.618   2.141  15.007
   48    H    ASN   9           H        ASN   9 -15.568   2.065   9.400
   49    HA   ASN   9           HA       ASN   9 -16.490   1.229   7.004
   50   1HB   ASN   9          2HB       ASN   9 -14.322   2.281   7.453
   51   2HB   ASN   9          1HB       ASN   9 -13.722   0.747   8.083
   52   1HD2  ASN   9          1HD2      ASN   9 -13.280  -0.954   6.640
   53   2HD2  ASN   9          2HD2      ASN   9 -13.108  -0.695   4.984
   54    H    GLY  10           H        GLY  10 -17.917  -0.508   7.342
   55   1HA   GLY  10          2HA       GLY  10 -18.630  -2.688   7.171
   56   2HA   GLY  10          1HA       GLY  10 -17.103  -2.994   6.367
   57    H    GLY  11           H        GLY  11 -16.610  -1.750   9.414
   58   1HA   GLY  11          2HA       GLY  11 -16.990  -3.343  11.479
   59   2HA   GLY  11          1HA       GLY  11 -15.860  -4.362  10.582
   60    H    CYS  12           H        CYS  12 -14.282  -2.301   9.484
   61    HA   CYS  12           HA       CYS  12 -12.743  -1.442  11.868
   62   1HB   CYS  12          2HB       CYS  12 -10.898  -1.395  10.365
   63   2HB   CYS  12          1HB       CYS  12 -11.750  -2.909  10.157
   64    H    SER  13           H        SER  13 -11.411   0.302   9.639
   65    HA   SER  13           HA       SER  13 -13.261   2.474   9.162
   66   1HB   SER  13          2HB       SER  13 -12.036   4.123  10.592
   67   2HB   SER  13          1HB       SER  13 -12.696   2.810  11.575
   68    HG   SER  13           HG       SER  13 -10.510   1.792  10.927
   69    H    HIS  14           H        HIS  14 -11.696   0.745   7.637
   70    HA   HIS  14           HA       HIS  14  -9.592   2.460   6.440
   71   1HB   HIS  14          2HB       HIS  14 -10.061  -0.550   6.395
   72   2HB   HIS  14          1HB       HIS  14  -8.741   0.277   5.605
   73    HD1  HIS  14           1HD      HIS  14  -9.371  -1.370   8.630
   74    HD2  HIS  14           2HD      HIS  14  -7.266   2.003   7.703
   75    HE1  HIS  14           1HE      HIS  14  -7.849  -0.960  10.529
   76    H    VAL  15           H        VAL  15 -10.380  -0.050   4.412
   77    HA   VAL  15           HA       VAL  15 -12.056   1.665   2.667
   78    HB   VAL  15           HB       VAL  15  -9.859   1.018   1.866
   79   1HG1  VAL  15          1HG1      VAL  15 -10.703  -1.880   2.146
   80   2HG1  VAL  15          2HG1      VAL  15  -9.479  -1.042   3.078
   81   3HG1  VAL  15          3HG1      VAL  15  -9.250  -1.302   1.361
   82   1HG2  VAL  15          1HG2      VAL  15 -12.101  -0.538   0.427
   83   2HG2  VAL  15          2HG2      VAL  15 -10.585  -0.081  -0.326
   84   3HG2  VAL  15          3HG2      VAL  15 -11.732   1.156   0.160
   85    H    CYS  16           H        CYS  16 -14.132   1.209   2.738
   86    HA   CYS  16           HA       CYS  16 -15.170  -1.310   3.717
   87   1HB   CYS  16          2HB       CYS  16 -17.331  -0.237   3.270
   88   2HB   CYS  16          1HB       CYS  16 -16.302   0.783   4.218
   89    H    ASN  17           H        ASN  17 -14.521  -2.915   2.359
   90    HA   ASN  17           HA       ASN  17 -15.063  -2.718  -0.541
   91   1HB   ASN  17          2HB       ASN  17 -12.986  -3.723   0.106
   92   2HB   ASN  17          1HB       ASN  17 -13.719  -4.787   1.271
   93   1HD2  ASN  17          1HD2      ASN  17 -13.116  -6.773   0.203
   94   2HD2  ASN  17          2HD2      ASN  17 -13.664  -7.210  -1.337
   95    H    ASP  18           H        ASP  18 -17.089  -2.472  -0.450
   96    HA   ASP  18           HA       ASP  18 -19.021  -3.951   1.029
   97   1HB   ASP  18          2HB       ASP  18 -19.407  -1.660   0.125
   98   2HB   ASP  18          1HB       ASP  18 -19.432  -2.309  -1.505
   99    H    LEU  19           H        LEU  19 -18.551  -6.089   0.701
  100    HA   LEU  19           HA       LEU  19 -18.504  -7.459  -1.769
  101   1HB   LEU  19          2HB       LEU  19 -17.694  -8.106   0.655
  102   2HB   LEU  19          1HB       LEU  19 -19.362  -8.507   0.942
  103    HG   LEU  19           HG       LEU  19 -19.329 -10.184  -0.890
  104   1HD1  LEU  19          1HD1      LEU  19 -17.100 -10.764  -1.833
  105   2HD1  LEU  19          2HD1      LEU  19 -16.369  -9.459  -0.900
  106   3HD1  LEU  19          3HD1      LEU  19 -17.481  -9.094  -2.204
  107   1HD2  LEU  19          1HD2      LEU  19 -17.960 -11.804   0.396
  108   2HD2  LEU  19          2HD2      LEU  19 -18.893 -10.778   1.463
  109   3HD2  LEU  19          3HD2      LEU  19 -17.181 -10.474   1.245
  110    H    LYS  20           H        LYS  20 -20.253  -9.196  -2.255
  111    HA   LYS  20           HA       LYS  20 -22.794  -7.837  -2.520
  112   1HB   LYS  20          2HB       LYS  20 -23.533  -9.953  -3.561
  113   2HB   LYS  20          1HB       LYS  20 -21.975  -9.470  -4.202
  114   1HG   LYS  20          2HG       LYS  20 -20.842 -11.098  -2.646
  115   2HG   LYS  20          1HG       LYS  20 -22.415 -11.632  -2.090
  116   1HD   LYS  20          2HD       LYS  20 -21.457 -11.833  -4.961
  117   2HD   LYS  20          1HD       LYS  20 -21.496 -13.151  -3.809
  118   1HE   LYS  20          2HE       LYS  20 -23.981 -12.914  -3.624
  119   2HE   LYS  20          1HE       LYS  20 -23.942 -11.612  -4.805
  120   1HZ   LYS  20          1HZ       LYS  20 -23.342 -14.459  -5.203
  121   2HZ   LYS  20          2HZ       LYS  20 -22.767 -13.280  -6.283
  122   3HZ   LYS  20          3HZ       LYS  20 -24.437 -13.462  -6.036
  123    H    ILE  21           H        ILE  21 -21.554 -10.519  -0.579
  124    HA   ILE  21           HA       ILE  21 -23.486 -10.012   1.566
  125    HB   ILE  21           HB       ILE  21 -23.030 -12.692   0.178
  126   1HG1  ILE  21          2HG1      ILE  21 -25.562 -10.985   0.360
  127   2HG1  ILE  21          1HG1      ILE  21 -24.604 -11.242  -1.083
  128   1HG2  ILE  21          1HG2      ILE  21 -23.219 -12.926   2.633
  129   2HG2  ILE  21          2HG2      ILE  21 -24.648 -13.587   1.870
  130   3HG2  ILE  21          3HG2      ILE  21 -24.710 -11.995   2.621
  131   1HD1  ILE  21          1HD1      ILE  21 -25.109 -13.653  -1.051
  132   2HD1  ILE  21          2HD1      ILE  21 -26.574 -12.688  -1.126
  133   3HD1  ILE  21          3HD1      ILE  21 -26.102 -13.442   0.382
  134    H    GLY  22           H        GLY  22 -22.025  -9.578   3.163
  135   1HA   GLY  22          2HA       GLY  22 -20.599 -10.393   4.877
  136   2HA   GLY  22          1HA       GLY  22 -19.916 -11.493   3.711
  137    H    TYR  23           H        TYR  23 -20.434  -8.084   3.618
  138    HA   TYR  23           HA       TYR  23 -18.323  -6.994   2.267
  139   1HB   TYR  23          2HB       TYR  23 -19.091  -5.679   4.864
  140   2HB   TYR  23          1HB       TYR  23 -18.712  -4.948   3.318
  141    HD1  TYR  23           1HD      TYR  23 -20.399  -5.330   1.345
  142    HD2  TYR  23           2HD      TYR  23 -21.285  -6.218   5.392
  143    HE1  TYR  23           1HE      TYR  23 -22.789  -5.336   0.806
  144    HE2  TYR  23           2HE      TYR  23 -23.688  -6.232   4.867
  145    HH   TYR  23           HH       TYR  23 -25.112  -6.620   2.810
  146    H    GLU  24           H        GLU  24 -16.203  -6.031   2.847
  147    HA   GLU  24           HA       GLU  24 -15.079  -6.992   5.374
  148   1HB   GLU  24          2HB       GLU  24 -13.196  -7.839   4.076
  149   2HB   GLU  24          1HB       GLU  24 -14.643  -8.798   3.873
  150   1HG   GLU  24          2HG       GLU  24 -14.985  -7.399   1.690
  151   2HG   GLU  24          1HG       GLU  24 -13.383  -6.744   2.000
  152    H    CYS  25           H        CYS  25 -12.956  -6.334   5.734
  153    HA   CYS  25           HA       CYS  25 -12.500  -3.556   5.055
  154   1HB   CYS  25          2HB       CYS  25 -12.855  -4.011   7.412
  155   2HB   CYS  25          1HB       CYS  25 -11.612  -5.236   7.403
  156    H    LEU  26           H        LEU  26 -11.179  -3.694   3.173
  157    HA   LEU  26           HA       LEU  26  -8.842  -5.472   3.189
  158   1HB   LEU  26          2HB       LEU  26  -9.569  -3.328   1.158
  159   2HB   LEU  26          1HB       LEU  26  -8.512  -4.674   0.963
  160    HG   LEU  26           HG       LEU  26 -11.501  -4.927   1.346
  161   1HD1  LEU  26          1HD1      LEU  26 -10.909  -3.951  -0.856
  162   2HD1  LEU  26          2HD1      LEU  26 -11.482  -5.588  -1.079
  163   3HD1  LEU  26          3HD1      LEU  26  -9.770  -5.256  -1.150
  164   1HD2  LEU  26          1HD2      LEU  26 -10.303  -6.919   2.192
  165   2HD2  LEU  26          2HD2      LEU  26  -9.444  -7.058   0.661
  166   3HD2  LEU  26          3HD2      LEU  26 -11.185  -7.280   0.718
  167    H    CYS  27           H        CYS  27  -7.010  -3.951   1.922
  168    HA   CYS  27           HA       CYS  27  -6.102  -2.050   3.974
  169   1HB   CYS  27          2HB       CYS  27  -4.661  -3.608   1.855
  170   2HB   CYS  27          1HB       CYS  27  -3.898  -2.441   2.899
  171    HA   PRO  28           HA       PRO  28  -7.023   1.260   1.052
  172   1HB   PRO  28          2HB       PRO  28  -5.184   2.805   2.847
  173   2HB   PRO  28          1HB       PRO  28  -6.809   3.182   2.343
  174   1HG   PRO  28          2HG       PRO  28  -6.361   2.326   4.797
  175   2HG   PRO  28          1HG       PRO  28  -7.791   1.773   3.904
  176   1HD   PRO  28          2HD       PRO  28  -5.207   0.340   4.408
  177   2HD   PRO  28          1HD       PRO  28  -6.882  -0.259   4.468
  178    H    ASP  29           H        ASP  29  -3.766   1.391   2.399
  179    HA   ASP  29           HA       ASP  29  -2.574   2.144  -0.145
  180   1HB   ASP  29          2HB       ASP  29  -0.528   2.310   1.173
  181   2HB   ASP  29          1HB       ASP  29  -1.829   3.076   2.041
  182    H    GLY  30           H        GLY  30  -0.257   0.967  -0.296
  183   1HA   GLY  30          2HA       GLY  30  -0.692  -1.454  -1.605
  184   2HA   GLY  30          1HA       GLY  30   0.871  -0.799  -1.201
  185    H    PHE  31           H        PHE  31  -0.300  -1.136   1.796
  186    HA   PHE  31           HA       PHE  31   1.222  -3.493   2.328
  187   1HB   PHE  31          2HB       PHE  31  -0.789  -1.938   3.972
  188   2HB   PHE  31          1HB       PHE  31   0.120  -3.275   4.603
  189    HD1  PHE  31           1HD      PHE  31   2.169  -1.563   2.199
  190    HD2  PHE  31           2HD      PHE  31   0.804  -1.306   6.238
  191    HE1  PHE  31           1HE      PHE  31   4.055  -0.170   2.738
  192    HE2  PHE  31           2HE      PHE  31   2.733   0.107   6.766
  193    HZ   PHE  31           HZ       PHE  31   4.371   0.662   5.005
  194    H    GLN  32           H        GLN  32   0.462  -5.271   3.605
  195    HA   GLN  32           HA       GLN  32  -1.732  -6.681   2.210
  196   1HB   GLN  32          2HB       GLN  32   0.532  -7.649   3.986
  197   2HB   GLN  32          1HB       GLN  32  -0.612  -8.670   3.150
  198   1HG   GLN  32          2HG       GLN  32   0.186  -7.790   0.955
  199   2HG   GLN  32          1HG       GLN  32   1.312  -6.724   1.787
  200   1HE2  GLN  32          1HE2      GLN  32   0.801  -9.970   0.670
  201   2HE2  GLN  32          2HE2      GLN  32   2.263 -10.615   1.244
  202    H    LEU  33           H        LEU  33  -3.448  -7.595   3.306
  203    HA   LEU  33           HA       LEU  33  -4.031  -6.455   5.966
  204   1HB   LEU  33          2HB       LEU  33  -5.745  -6.737   3.998
  205   2HB   LEU  33          1HB       LEU  33  -5.745  -8.442   4.380
  206    HG   LEU  33           HG       LEU  33  -6.257  -7.690   6.830
  207   1HD1  LEU  33          1HD1      LEU  33  -5.703  -5.313   6.539
  208   2HD1  LEU  33          2HD1      LEU  33  -7.383  -5.461   7.007
  209   3HD1  LEU  33          3HD1      LEU  33  -6.970  -5.146   5.336
  210   1HD2  LEU  33          1HD2      LEU  33  -8.375  -7.282   4.709
  211   2HD2  LEU  33          2HD2      LEU  33  -8.672  -7.539   6.423
  212   3HD2  LEU  33          3HD2      LEU  33  -7.935  -8.812   5.466
  213    H    VAL  34           H        VAL  34  -1.983  -7.807   6.597
  214    HA   VAL  34           HA       VAL  34  -2.371 -10.642   6.980
  215    HB   VAL  34           HB       VAL  34  -0.163 -10.495   8.088
  216   1HG1  VAL  34          1HG1      VAL  34  -0.402  -9.063   5.415
  217   2HG1  VAL  34          2HG1      VAL  34  -0.337 -10.803   5.634
  218   3HG1  VAL  34          3HG1      VAL  34   1.063  -9.820   6.024
  219   1HG2  VAL  34          1HG2      VAL  34  -0.327  -8.227   9.060
  220   2HG2  VAL  34          2HG2      VAL  34  -0.371  -7.533   7.445
  221   3HG2  VAL  34          3HG2      VAL  34   1.069  -8.366   8.011
  222    H    ALA  35           H        ALA  35  -2.194  -7.893   9.187
  223    HA   ALA  35           HA       ALA  35  -2.812  -9.522  11.455
  224   1HB   ALA  35          1HB       ALA  35  -1.195  -7.734  11.643
  225   2HB   ALA  35          2HB       ALA  35  -2.554  -7.342  12.684
  226   3HB   ALA  35          3HB       ALA  35  -2.369  -6.550  11.123
  227    H    GLN  36           H        GLN  36  -4.845  -9.972   9.977
  228    HA   GLN  36           HA       GLN  36  -7.139 -10.122   9.910
  229   1HB   GLN  36          2HB       GLN  36  -6.989  -8.496  12.504
  230   2HB   GLN  36          1HB       GLN  36  -8.410  -9.330  11.922
  231   1HG   GLN  36          2HG       GLN  36  -7.224 -11.498  12.020
  232   2HG   GLN  36          1HG       GLN  36  -5.760 -10.693  12.565
  233   1HE2  GLN  36          1HE2      GLN  36  -5.601 -10.138  14.770
  234   2HE2  GLN  36          2HE2      GLN  36  -6.829 -10.431  15.903
  235    H    ARG  37           H        ARG  37  -7.093  -6.904  11.349
  236    HA   ARG  37           HA       ARG  37  -8.347  -5.767   8.871
  237   1HB   ARG  37          2HB       ARG  37  -8.862  -5.020  11.782
  238   2HB   ARG  37          1HB       ARG  37  -9.439  -4.085  10.427
  239   1HG   ARG  37          2HG       ARG  37 -11.252  -5.440  11.285
  240   2HG   ARG  37          1HG       ARG  37 -10.835  -5.973   9.676
  241   1HD   ARG  37          2HD       ARG  37  -9.667  -7.918  10.569
  242   2HD   ARG  37          1HD       ARG  37  -9.951  -7.385  12.228
  243    HE   ARG  37           HE       ARG  37 -12.473  -7.460  11.296
  244   1HH1  ARG  37          2HH1      ARG  37  -9.871  -9.725  10.833
  245   2HH1  ARG  37          1HH1      ARG  37 -10.944 -11.074  10.681
  246   1HH2  ARG  37          1HH2      ARG  37 -13.824  -9.159  11.099
  247   2HH2  ARG  37          2HH2      ARG  37 -13.203 -10.753  10.829
  248    H    ARG  38           H        ARG  38  -5.656  -5.892  10.578
  249    HA   ARG  38           HA       ARG  38  -4.829  -3.041  10.272
  250   1HB   ARG  38          2HB       ARG  38  -4.571  -3.947  12.517
  251   2HB   ARG  38          1HB       ARG  38  -3.723  -5.349  11.936
  252   1HG   ARG  38          2HG       ARG  38  -1.876  -3.802  11.112
  253   2HG   ARG  38          1HG       ARG  38  -2.760  -2.450  11.804
  254   1HD   ARG  38          2HD       ARG  38  -2.589  -3.527  14.073
  255   2HD   ARG  38          1HD       ARG  38  -1.721  -4.871  13.345
  256    HE   ARG  38           HE       ARG  38   0.184  -3.506  13.071
  257   1HH1  ARG  38          2HH1      ARG  38  -2.547  -1.665  14.175
  258   2HH1  ARG  38          1HH1      ARG  38  -1.588  -0.278  14.559
  259   1HH2  ARG  38          1HH2      ARG  38   1.402  -1.766  13.552
  260   2HH2  ARG  38          2HH2      ARG  38   0.681  -0.332  14.203
  261    H    CYS  39           H        CYS  39  -3.639  -2.597   8.600
  262    HA   CYS  39           HA       CYS  39  -2.501  -4.747   6.946
  263   1HB   CYS  39          2HB       CYS  39  -2.913  -1.815   6.419
  264   2HB   CYS  39          1HB       CYS  39  -2.358  -2.988   5.240
  265    H    GLU  40           H        GLU  40  -0.479  -4.917   6.271
  266    HA   GLU  40           HA       GLU  40   1.628  -3.022   6.934
  267   1HB   GLU  40          2HB       GLU  40   1.317  -4.246   9.091
  268   2HB   GLU  40          1HB       GLU  40   1.654  -5.756   8.259
  269   1HG   GLU  40          2HG       GLU  40   3.898  -4.883   7.591
  270   2HG   GLU  40          1HG       GLU  40   3.548  -3.369   8.403
  271    H    ASP  41           H        ASP  41   3.425  -3.329   5.705
  272    HA   ASP  41           HA       ASP  41   3.341  -5.423   3.618
  273   1HB   ASP  41          2HB       ASP  41   3.396  -3.181   2.885
  274   2HB   ASP  41          1HB       ASP  41   4.799  -2.772   3.849
  275    H    ILE  42           H        ILE  42   5.431  -6.201   2.916
  276    HA   ILE  42           HA       ILE  42   6.839  -7.384   5.072
  277    HB   ILE  42           HB       ILE  42   8.358  -8.314   3.293
  278   1HG1  ILE  42          2HG1      ILE  42   6.814  -6.468   1.396
  279   2HG1  ILE  42          1HG1      ILE  42   8.479  -6.240   1.876
  280   1HG2  ILE  42          1HG2      ILE  42   5.396  -8.318   2.539
  281   2HG2  ILE  42          2HG2      ILE  42   6.157  -9.382   3.710
  282   3HG2  ILE  42          3HG2      ILE  42   6.565  -9.515   2.014
  283   1HD1  ILE  42          1HD1      ILE  42   7.435  -8.639   0.321
  284   2HD1  ILE  42          2HD1      ILE  42   9.098  -8.395   0.827
  285   3HD1  ILE  42          3HD1      ILE  42   8.359  -7.303  -0.332
  286    H    ASP  43           H        ASP  43   9.197  -7.063   5.497
  287    HA   ASP  43           HA       ASP  43  10.003  -4.190   5.158
  288   1HB   ASP  43          2HB       ASP  43   9.683  -5.212   7.478
  289   2HB   ASP  43          1HB       ASP  43  11.051  -6.253   7.136
  290    H    GLU  44           H        GLU  44  11.290  -3.923   3.569
  291    HA   GLU  44           HA       GLU  44  12.767  -6.009   2.270
  292   1HB   GLU  44          2HB       GLU  44  13.132  -3.009   2.038
  293   2HB   GLU  44          1HB       GLU  44  13.633  -4.212   0.873
  294   1HG   GLU  44          2HG       GLU  44  11.653  -3.194   0.075
  295   2HG   GLU  44          1HG       GLU  44  11.210  -4.828   0.496
  296    H    CYS  45           H        CYS  45  13.520  -3.668   4.764
  297    HA   CYS  45           HA       CYS  45  16.325  -3.779   4.547
  298   1HB   CYS  45          2HB       CYS  45  14.600  -3.133   6.961
  299   2HB   CYS  45          1HB       CYS  45  16.294  -2.923   6.876
  300    H    GLN  46           H        GLN  46  14.306  -5.083   6.989
  301    HA   GLN  46           HA       GLN  46  15.894  -6.657   8.520
  302   1HB   GLN  46          2HB       GLN  46  13.107  -7.243   7.495
  303   2HB   GLN  46          1HB       GLN  46  13.852  -8.136   8.791
  304   1HG   GLN  46          2HG       GLN  46  13.407  -5.110   8.784
  305   2HG   GLN  46          1HG       GLN  46  12.382  -6.254   9.639
  306   1HE2  GLN  46          1HE2      GLN  46  15.155  -4.291   9.887
  307   2HE2  GLN  46          2HE2      GLN  46  15.771  -4.926  11.336
  308    H    ASP  47           H        ASP  47  14.685  -7.634   5.380
  309    HA   ASP  47           HA       ASP  47  15.755 -10.270   5.575
  310   1HB   ASP  47          2HB       ASP  47  13.767  -9.774   4.170
  311   2HB   ASP  47          1HB       ASP  47  14.749  -8.754   3.132
  312    HA   PRO  48           HA       PRO  48  19.832  -8.857   4.259
  313   1HB   PRO  48          2HB       PRO  48  21.168 -11.166   4.446
  314   2HB   PRO  48          1HB       PRO  48  20.493 -10.416   5.871
  315   1HG   PRO  48          2HG       PRO  48  19.359 -12.665   4.255
  316   2HG   PRO  48          1HG       PRO  48  19.498 -12.510   6.015
  317   1HD   PRO  48          2HD       PRO  48  17.210 -11.962   4.595
  318   2HD   PRO  48          1HD       PRO  48  17.602 -11.265   6.180
  319    H    ASP  49           H        ASP  49  18.494  -8.565   2.128
  320    HA   ASP  49           HA       ASP  49  20.030  -9.904  -0.017
  321   1HB   ASP  49          2HB       ASP  49  17.881 -11.171   0.216
  322   2HB   ASP  49          1HB       ASP  49  17.014  -9.647   0.070
  323    H    THR  50           H        THR  50  17.985  -7.373   1.156
  324    HA   THR  50           HA       THR  50  18.017  -5.685  -1.162
  325    HB   THR  50           HB       THR  50  17.454  -5.045   1.797
  326    HG1  THR  50           1HG      THR  50  15.331  -5.348   0.921
  327   1HG2  THR  50          1HG2      THR  50  16.139  -3.161   0.868
  328   2HG2  THR  50          2HG2      THR  50  16.541  -3.635  -0.778
  329   3HG2  THR  50          3HG2      THR  50  17.778  -2.965   0.272
  330    H    CYS  51           H        CYS  51  19.274  -4.281   1.805
  331    HA   CYS  51           HA       CYS  51  21.495  -3.082   0.321
  332   1HB   CYS  51          2HB       CYS  51  20.772  -2.916   3.244
  333   2HB   CYS  51          1HB       CYS  51  21.744  -1.794   2.330
  334    H    SER  52           H        SER  52  23.805  -3.185   1.261
  335    HA   SER  52           HA       SER  52  24.587  -5.906   1.621
  336   1HB   SER  52          2HB       SER  52  26.114  -3.299   2.104
  337   2HB   SER  52          1HB       SER  52  26.838  -4.905   1.935
  338    HG   SER  52           HG       SER  52  25.385  -3.412   0.048
  339    H    GLN  53           H        GLN  53  24.166  -3.174   3.772
  340    HA   GLN  53           HA       GLN  53  24.090  -5.000   6.121
  341   1HB   GLN  53          2HB       GLN  53  25.664  -2.397   5.951
  342   2HB   GLN  53          1HB       GLN  53  25.357  -3.288   7.433
  343   1HG   GLN  53          2HG       GLN  53  26.816  -4.389   5.024
  344   2HG   GLN  53          1HG       GLN  53  27.612  -3.735   6.450
  345   1HE2  GLN  53          1HE2      GLN  53  26.983  -6.616   5.102
  346   2HE2  GLN  53          2HE2      GLN  53  26.714  -7.568   6.482
  347    H    LEU  54           H        LEU  54  24.089  -1.492   6.450
  348    HA   LEU  54           HA       LEU  54  21.568  -1.601   7.750
  349   1HB   LEU  54          2HB       LEU  54  23.079   0.750   6.684
  350   2HB   LEU  54          1HB       LEU  54  21.659   0.834   7.707
  351    HG   LEU  54           HG       LEU  54  24.404  -0.144   8.489
  352   1HD1  LEU  54          1HD1      LEU  54  23.881   2.324   8.328
  353   2HD1  LEU  54          2HD1      LEU  54  24.119   1.829  10.006
  354   3HD1  LEU  54          3HD1      LEU  54  22.500   2.075   9.367
  355   1HD2  LEU  54          1HD2      LEU  54  22.581  -1.538   9.532
  356   2HD2  LEU  54          2HD2      LEU  54  21.804  -0.049  10.068
  357   3HD2  LEU  54          3HD2      LEU  54  23.387  -0.500  10.703
  358    H    CYS  55           H        CYS  55  19.938  -0.320   7.477
  359    HA   CYS  55           HA       CYS  55  19.025   0.667   4.897
  360   1HB   CYS  55          2HB       CYS  55  18.782  -1.799   4.604
  361   2HB   CYS  55          1HB       CYS  55  17.857  -1.909   6.040
  362    H    VAL  56           H        VAL  56  16.536   1.085   5.098
  363    HA   VAL  56           HA       VAL  56  15.567   1.720   7.777
  364    HB   VAL  56           HB       VAL  56  17.046   3.669   7.370
  365   1HG1  VAL  56          1HG1      VAL  56  17.185   3.656   4.907
  366   2HG1  VAL  56          2HG1      VAL  56  16.726   5.234   5.500
  367   3HG1  VAL  56          3HG1      VAL  56  15.520   4.198   4.775
  368   1HG2  VAL  56          1HG2      VAL  56  15.372   5.498   7.539
  369   2HG2  VAL  56          2HG2      VAL  56  14.925   4.116   8.524
  370   3HG2  VAL  56          3HG2      VAL  56  14.115   4.402   6.992
  371    H    ASN  57           H        ASN  57  13.844   0.604   7.443
  372    HA   ASN  57           HA       ASN  57  12.268   0.671   4.983
  373   1HB   ASN  57          2HB       ASN  57  12.670  -1.442   6.215
  374   2HB   ASN  57          1HB       ASN  57  11.813  -0.787   7.599
  375   1HD2  ASN  57          1HD2      ASN  57   9.920  -2.004   7.687
  376   2HD2  ASN  57          2HD2      ASN  57   8.852  -2.215   6.384
  377    H    LEU  58           H        LEU  58  10.082   0.848   4.984
  378    HA   LEU  58           HA       LEU  58   8.331   2.132   6.831
  379   1HB   LEU  58          2HB       LEU  58   8.085   4.359   5.808
  380   2HB   LEU  58          1HB       LEU  58   9.710   4.170   6.371
  381    HG   LEU  58           HG       LEU  58   8.995   3.751   3.433
  382   1HD1  LEU  58          1HD1      LEU  58  10.083   6.242   4.846
  383   2HD1  LEU  58          2HD1      LEU  58   8.465   6.095   4.179
  384   3HD1  LEU  58          3HD1      LEU  58   9.859   6.060   3.113
  385   1HD2  LEU  58          1HD2      LEU  58  11.429   4.163   3.184
  386   2HD2  LEU  58          2HD2      LEU  58  11.160   2.791   4.231
  387   3HD2  LEU  58          3HD2      LEU  58  11.596   4.347   4.915
  388    H    GLU  59           H        GLU  59   6.913   3.479   4.810
  389    HA   GLU  59           HA       GLU  59   5.491   1.236   3.681
  390   1HB   GLU  59          2HB       GLU  59   4.319   3.361   4.488
  391   2HB   GLU  59          1HB       GLU  59   5.109   4.253   3.203
  392   1HG   GLU  59          2HG       GLU  59   3.864   2.924   1.489
  393   2HG   GLU  59          1HG       GLU  59   3.150   1.942   2.746
  394    H    GLY  60           H        GLY  60   6.927   0.258   2.726
  395   1HA   GLY  60          2HA       GLY  60   7.942  -0.653   0.966
  396   2HA   GLY  60          1HA       GLY  60   6.736   0.200   0.007
  397    H    GLY  61           H        GLY  61   8.234   2.555   1.578
  398   1HA   GLY  61          2HA       GLY  61   9.920   3.355  -0.697
  399   2HA   GLY  61          1HA       GLY  61   9.494   4.345   0.693
  400    H    TYR  62           H        TYR  62  10.694   1.376   1.545
  401    HA   TYR  62           HA       TYR  62  12.775   2.071   3.157
  402   1HB   TYR  62          2HB       TYR  62  13.705  -0.162   2.935
  403   2HB   TYR  62          1HB       TYR  62  11.964  -0.289   2.742
  404    HD1  TYR  62           1HD      TYR  62  15.165  -0.748   1.193
  405    HD2  TYR  62           2HD      TYR  62  11.025  -0.337   0.312
  406    HE1  TYR  62           1HE      TYR  62  15.569  -1.625  -1.044
  407    HE2  TYR  62           2HE      TYR  62  11.426  -1.218  -1.938
  408    HH   TYR  62           HH       TYR  62  13.841  -2.941  -2.836
  409    H    LYS  63           H        LYS  63  14.953   2.549   3.123
  410    HA   LYS  63           HA       LYS  63  16.318   2.723   0.509
  411   1HB   LYS  63          2HB       LYS  63  16.337   4.760   2.739
  412   2HB   LYS  63          1HB       LYS  63  17.269   4.796   1.291
  413   1HG   LYS  63          2HG       LYS  63  15.156   4.896  -0.083
  414   2HG   LYS  63          1HG       LYS  63  14.232   4.883   1.412
  415   1HD   LYS  63          2HD       LYS  63  15.258   7.005   2.121
  416   2HD   LYS  63          1HD       LYS  63  16.226   7.047   0.655
  417   1HE   LYS  63          2HE       LYS  63  14.137   7.094  -0.715
  418   2HE   LYS  63          1HE       LYS  63  13.175   7.069   0.758
  419   1HZ   LYS  63          1HZ       LYS  63  13.269   9.273   0.420
  420   2HZ   LYS  63          2HZ       LYS  63  14.756   9.218  -0.396
  421   3HZ   LYS  63          3HZ       LYS  63  14.715   9.121   1.299
  422    H    CYS  64           H        CYS  64  18.650   2.834   0.828
  423    HA   CYS  64           HA       CYS  64  19.500   1.084   3.043
  424   1HB   CYS  64          2HB       CYS  64  20.924   1.905   0.555
  425   2HB   CYS  64          1HB       CYS  64  21.515   0.814   1.747
  426    H    GLN  65           H        GLN  65  21.438   1.379   4.049
  427    HA   GLN  65           HA       GLN  65  22.645   4.111   4.241
  428   1HB   GLN  65          2HB       GLN  65  22.056   2.501   6.749
  429   2HB   GLN  65          1HB       GLN  65  22.546   4.142   6.628
  430   1HG   GLN  65          2HG       GLN  65  19.796   3.164   5.770
  431   2HG   GLN  65          1HG       GLN  65  20.156   4.028   7.249
  432   1HE2  GLN  65          1HE2      GLN  65  21.965   6.013   6.204
  433   2HE2  GLN  65          2HE2      GLN  65  21.079   7.023   5.166
  434    H    CYS  66           H        CYS  66  24.573   3.506   6.108
  435    HA   CYS  66           HA       CYS  66  25.923   1.079   5.052
  436   1HB   CYS  66          2HB       CYS  66  27.275   3.628   5.771
  437   2HB   CYS  66          1HB       CYS  66  27.911   2.263   5.088
  438    H    GLU  67           H        GLU  67  27.238   0.045   6.292
  439    HA   GLU  67           HA       GLU  67  26.849   0.265   9.219
  440   1HB   GLU  67          2HB       GLU  67  26.758  -1.915   7.895
  441   2HB   GLU  67          1HB       GLU  67  28.480  -1.809   7.665
  442   1HG   GLU  67          2HG       GLU  67  27.033  -2.021  10.346
  443   2HG   GLU  67          1HG       GLU  67  27.919  -3.307   9.564
  444    H    GLU  68           H        GLU  68  27.976   2.334   9.201
  445    HA   GLU  68           HA       GLU  68  29.771   3.740   9.546
  446   1HB   GLU  68          2HB       GLU  68  30.865   1.158  10.720
  447   2HB   GLU  68          1HB       GLU  68  31.550   2.741  11.021
  448   1HG   GLU  68          2HG       GLU  68  29.354   3.479  11.990
  449   2HG   GLU  68          1HG       GLU  68  28.681   1.887  11.673
  450    H    GLY  69           H        GLY  69  31.765   0.915   9.016
  451   1HA   GLY  69          2HA       GLY  69  33.814   2.183   7.612
  452   2HA   GLY  69          1HA       GLY  69  33.552   0.447   7.656
  453    H    PHE  70           H        PHE  70  30.769   0.997   6.458
  454    HA   PHE  70           HA       PHE  70  31.618   0.652   3.769
  455   1HB   PHE  70          2HB       PHE  70  28.983   0.772   5.153
  456   2HB   PHE  70          1HB       PHE  70  29.022   0.683   3.397
  457    HD1  PHE  70           1HD      PHE  70  31.347  -1.122   5.727
  458    HD2  PHE  70           2HD      PHE  70  27.928  -1.423   3.205
  459    HE1  PHE  70           1HE      PHE  70  31.411  -3.549   5.945
  460    HE2  PHE  70           2HE      PHE  70  28.010  -3.852   3.418
  461    HZ   PHE  70           HZ       PHE  70  29.741  -4.933   4.782
  462    H    GLN  71           H        GLN  71  30.865   1.931   1.983
  463    HA   GLN  71           HA       GLN  71  30.268   4.736   2.563
  464   1HB   GLN  71          2HB       GLN  71  32.518   3.509   1.016
  465   2HB   GLN  71          1HB       GLN  71  31.889   5.008   0.429
  466   1HG   GLN  71          2HG       GLN  71  32.873   4.540   3.290
  467   2HG   GLN  71          1HG       GLN  71  33.800   5.360   2.035
  468   1HE2  GLN  71          1HE2      GLN  71  33.123   6.771   4.365
  469   2HE2  GLN  71          2HE2      GLN  71  31.967   7.961   4.002
  470    H    LEU  72           H        LEU  72  29.959   5.936   0.593
  471    HA   LEU  72           HA       LEU  72  27.633   4.747  -0.751
  472   1HB   LEU  72          2HB       LEU  72  27.651   7.143  -0.044
  473   2HB   LEU  72          1HB       LEU  72  28.937   7.463  -1.192
  474    HG   LEU  72           HG       LEU  72  27.405   6.573  -3.029
  475   1HD1  LEU  72          1HD1      LEU  72  25.280   6.680  -0.857
  476   2HD1  LEU  72          2HD1      LEU  72  25.856   5.224  -1.650
  477   3HD1  LEU  72          3HD1      LEU  72  24.979   6.430  -2.566
  478   1HD2  LEU  72          1HD2      LEU  72  26.366   8.948  -1.426
  479   2HD2  LEU  72          2HD2      LEU  72  26.010   8.633  -3.120
  480   3HD2  LEU  72          3HD2      LEU  72  27.653   9.010  -2.623
  481    H    ASP  73           H        ASP  73  28.238   3.229  -2.130
  482    HA   ASP  73           HA       ASP  73  30.521   3.424  -3.919
  483   1HB   ASP  73          2HB       ASP  73  29.635   1.229  -3.132
  484   2HB   ASP  73          1HB       ASP  73  28.121   1.531  -3.966
  485    HA   PRO  74           HA       PRO  74  28.122   6.029  -6.731
  486   1HB   PRO  74          2HB       PRO  74  29.968   6.343  -8.688
  487   2HB   PRO  74          1HB       PRO  74  30.106   7.152  -7.146
  488   1HG   PRO  74          2HG       PRO  74  31.425   4.612  -8.022
  489   2HG   PRO  74          1HG       PRO  74  32.131   6.026  -7.218
  490   1HD   PRO  74          2HD       PRO  74  31.464   3.817  -5.855
  491   2HD   PRO  74          1HD       PRO  74  31.301   5.433  -5.144
  492    H    HIS  75           H        HIS  75  27.408   5.991  -8.926
  493    HA   HIS  75           HA       HIS  75  26.327   5.021 -10.743
  494   1HB   HIS  75          2HB       HIS  75  28.503   2.893 -10.485
  495   2HB   HIS  75          1HB       HIS  75  27.478   3.155 -11.887
  496    HD1  HIS  75           1HD      HIS  75  30.281   4.754 -10.064
  497    HD2  HIS  75           2HD      HIS  75  28.148   5.392 -13.488
  498    HE1  HIS  75           1HE      HIS  75  31.490   6.500 -11.321
  499    H    THR  76           H        THR  76  26.280   3.782  -7.825
  500    HA   THR  76           HA       THR  76  24.113   1.833  -8.384
  501    HB   THR  76           HB       THR  76  25.090   0.333  -6.563
  502    HG1  THR  76           1HG      THR  76  26.264   1.828  -5.495
  503   1HG2  THR  76          1HG2      THR  76  27.185   0.971  -8.736
  504   2HG2  THR  76          2HG2      THR  76  25.820  -0.096  -9.023
  505   3HG2  THR  76          3HG2      THR  76  27.049  -0.536  -7.848
  506    H    LYS  77           H        LYS  77  25.842   3.790  -6.210
  507    HA   LYS  77           HA       LYS  77  25.282   5.161  -4.403
  508   1HB   LYS  77          2HB       LYS  77  22.548   4.643  -5.307
  509   2HB   LYS  77          1HB       LYS  77  22.961   5.870  -4.141
  510   1HG   LYS  77          2HG       LYS  77  24.430   6.968  -5.848
  511   2HG   LYS  77          1HG       LYS  77  23.947   5.762  -7.030
  512   1HD   LYS  77          2HD       LYS  77  21.569   6.487  -6.788
  513   2HD   LYS  77          1HD       LYS  77  22.053   7.688  -5.605
  514   1HE   LYS  77          2HE       LYS  77  21.798   8.717  -7.845
  515   2HE   LYS  77          1HE       LYS  77  23.475   8.808  -7.324
  516   1HZ   LYS  77          1HZ       LYS  77  22.495   6.571  -8.978
  517   2HZ   LYS  77          2HZ       LYS  77  24.091   7.106  -8.748
  518   3HZ   LYS  77          3HZ       LYS  77  23.007   8.035  -9.670
  519    H    ALA  78           H        ALA  78  25.053   2.049  -4.456
  520    HA   ALA  78           HA       ALA  78  23.480   1.557  -1.999
  521   1HB   ALA  78          1HB       ALA  78  23.278  -0.026  -3.903
  522   2HB   ALA  78          2HB       ALA  78  23.963  -0.831  -2.499
  523   3HB   ALA  78          3HB       ALA  78  25.005  -0.344  -3.829
  524    H    CYS  79           H        CYS  79  24.389   0.919  -0.088
  525    HA   CYS  79           HA       CYS  79  27.144   1.715   0.360
  526   1HB   CYS  79          2HB       CYS  79  25.073   0.556   2.161
  527   2HB   CYS  79          1HB       CYS  79  26.676   0.938   2.713
  528    H    LYS  80           H        LYS  80  28.843   0.602   0.891
  529    HA   LYS  80           HA       LYS  80  28.806  -2.261   1.455
  530   1HB   LYS  80          2HB       LYS  80  30.314  -2.825  -0.168
  531   2HB   LYS  80          1HB       LYS  80  28.759  -2.455  -0.922
  532   1HG   LYS  80          2HG       LYS  80  29.680  -0.103  -1.440
  533   2HG   LYS  80          1HG       LYS  80  31.259  -0.648  -0.917
  534   1HD   LYS  80          2HD       LYS  80  29.684  -1.833  -3.232
  535   2HD   LYS  80          1HD       LYS  80  31.043  -0.738  -3.381
  536   1HE   LYS  80          2HE       LYS  80  32.520  -2.406  -2.263
  537   2HE   LYS  80          1HE       LYS  80  31.165  -3.519  -2.134
  538   1HZ   LYS  80          1HZ       LYS  80  31.871  -2.403  -4.749
  539   2HZ   LYS  80          2HZ       LYS  80  31.111  -3.874  -4.372
  540   3HZ   LYS  80          3HZ       LYS  80  32.779  -3.688  -4.108
  541    H    ALA  81           H        ALA  81  31.012  -2.988   2.077
  542    HA   ALA  81           HA       ALA  81  32.497  -1.313   3.726
  543   1HB   ALA  81          1HB       ALA  81  34.327  -2.982   3.523
  544   2HB   ALA  81          2HB       ALA  81  33.545  -3.661   2.105
  545   3HB   ALA  81          3HB       ALA  81  32.766  -3.769   3.674
  546    H    VAL  82           H        VAL  82  33.684   0.427   3.422
  547    HA   VAL  82           HA       VAL  82  34.267   1.676   1.043
  548    HB   VAL  82           HB       VAL  82  34.473   2.741   3.261
  549   1HG1  VAL  82          1HG1      VAL  82  37.043   1.106   3.562
  550   2HG1  VAL  82          2HG1      VAL  82  35.578   0.842   4.479
  551   3HG1  VAL  82          3HG1      VAL  82  36.478   2.331   4.686
  552   1HG2  VAL  82          1HG2      VAL  82  36.517   4.081   2.866
  553   2HG2  VAL  82          2HG2      VAL  82  35.617   3.842   1.379
  554   3HG2  VAL  82          3HG2      VAL  82  37.072   2.909   1.684
  Start of MODEL    5
    1    H    GLY   1           H        GLY   1 -23.013  -4.281  -2.700
    2   1HA   GLY   1          2HA       GLY   1 -25.802  -4.400  -3.564
    3   2HA   GLY   1          1HA       GLY   1 -25.569  -4.831  -1.868
    4    H    THR   2           H        THR   2 -25.731  -3.171  -0.497
    5    HA   THR   2           HA       THR   2 -26.113  -0.515  -1.219
    6    HB   THR   2           HB       THR   2 -26.912  -1.360   0.913
    7    HG1  THR   2           1HG      THR   2 -26.296   0.865   0.631
    8   1HG2  THR   2          1HG2      THR   2 -24.875  -2.809   1.452
    9   2HG2  THR   2          2HG2      THR   2 -25.304  -1.732   2.775
   10   3HG2  THR   2          3HG2      THR   2 -23.953  -1.334   1.718
   11    H    ASN   3           H        ASN   3 -24.912   1.300  -0.422
   12    HA   ASN   3           HA       ASN   3 -22.051   1.171  -1.226
   13   1HB   ASN   3          2HB       ASN   3 -23.649   2.821  -2.281
   14   2HB   ASN   3          1HB       ASN   3 -23.883   3.564  -0.713
   15   1HD2  ASN   3          1HD2      ASN   3 -20.666   2.750  -0.588
   16   2HD2  ASN   3          2HD2      ASN   3 -20.007   4.159  -1.266
   17    H    GLU   4           H        GLU   4 -21.769  -0.042   0.767
   18    HA   GLU   4           HA       GLU   4 -22.088   1.046   3.378
   19   1HB   GLU   4          2HB       GLU   4 -20.801  -0.840   4.085
   20   2HB   GLU   4          1HB       GLU   4 -21.798  -1.383   2.769
   21   1HG   GLU   4          2HG       GLU   4 -18.826  -0.698   2.575
   22   2HG   GLU   4          1HG       GLU   4 -19.513  -2.295   2.503
   23    H    CYS   5           H        CYS   5 -19.953   1.980   0.968
   24    HA   CYS   5           HA       CYS   5 -17.619   2.471   2.457
   25   1HB   CYS   5          2HB       CYS   5 -18.659   3.822  -0.012
   26   2HB   CYS   5          1HB       CYS   5 -17.057   3.986   0.605
   27    H    LEU   6           H        LEU   6 -20.415   4.312   1.712
   28    HA   LEU   6           HA       LEU   6 -19.901   6.923   2.291
   29   1HB   LEU   6          2HB       LEU   6 -22.324   5.317   3.166
   30   2HB   LEU   6          1HB       LEU   6 -22.276   7.057   2.977
   31    HG   LEU   6           HG       LEU   6 -21.774   5.044   0.733
   32   1HD1  LEU   6          1HD1      LEU   6 -24.161   6.854   1.300
   33   2HD1  LEU   6          2HD1      LEU   6 -24.140   5.105   1.474
   34   3HD1  LEU   6          3HD1      LEU   6 -23.975   5.831  -0.117
   35   1HD2  LEU   6          1HD2      LEU   6 -22.074   8.092   0.621
   36   2HD2  LEU   6          2HD2      LEU   6 -21.890   7.038  -0.769
   37   3HD2  LEU   6          3HD2      LEU   6 -20.570   7.226   0.361
   38    H    ASP   7           H        ASP   7 -20.918   4.575   4.698
   39    HA   ASP   7           HA       ASP   7 -20.029   6.336   6.944
   40   1HB   ASP   7          2HB       ASP   7 -22.315   5.098   6.955
   41   2HB   ASP   7          1HB       ASP   7 -21.375   3.612   6.978
   42    H    ASN   8           H        ASN   8 -19.286   4.288   8.661
   43    HA   ASN   8           HA       ASN   8 -16.587   3.922   8.202
   44   1HB   ASN   8          2HB       ASN   8 -18.518   2.321   9.689
   45   2HB   ASN   8          1HB       ASN   8 -16.810   2.027   9.867
   46   1HD2  ASN   8          1HD2      ASN   8 -18.682   5.143   9.731
   47   2HD2  ASN   8          2HD2      ASN   8 -18.107   5.702  11.222
   48    H    ASN   9           H        ASN   9 -15.542   2.687   6.686
   49    HA   ASN   9           HA       ASN   9 -16.492   1.325   4.551
   50   1HB   ASN   9          2HB       ASN   9 -14.112   1.711   4.873
   51   2HB   ASN   9          1HB       ASN   9 -14.070   0.603   6.220
   52   1HD2  ASN   9          1HD2      ASN   9 -12.243  -0.132   4.592
   53   2HD2  ASN   9          2HD2      ASN   9 -12.698  -1.392   3.549
   54    H    GLY  10           H        GLY  10 -18.426   0.241   5.090
   55   1HA   GLY  10          2HA       GLY  10 -19.754  -1.616   5.616
   56   2HA   GLY  10          1HA       GLY  10 -18.325  -2.534   5.172
   57    H    GLY  11           H        GLY  11 -17.763  -0.440   7.699
   58   1HA   GLY  11          2HA       GLY  11 -18.559  -0.993  10.105
   59   2HA   GLY  11          1HA       GLY  11 -17.864  -2.581   9.771
   60    H    CYS  12           H        CYS  12 -15.667  -1.698   8.233
   61    HA   CYS  12           HA       CYS  12 -13.830  -0.794  10.338
   62   1HB   CYS  12          2HB       CYS  12 -12.149  -1.635   8.787
   63   2HB   CYS  12          1HB       CYS  12 -13.459  -2.785   8.917
   64    H    SER  13           H        SER  13 -12.018   0.210   8.164
   65    HA   SER  13           HA       SER  13 -13.237   2.525   6.935
   66   1HB   SER  13          2HB       SER  13 -11.998   4.237   8.351
   67   2HB   SER  13          1HB       SER  13 -13.141   3.318   9.336
   68    HG   SER  13           HG       SER  13 -11.388   1.856   9.773
   69    H    HIS  14           H        HIS  14 -11.808   0.400   5.989
   70    HA   HIS  14           HA       HIS  14  -9.151   1.486   5.241
   71   1HB   HIS  14          2HB       HIS  14 -10.236  -1.361   5.309
   72   2HB   HIS  14          1HB       HIS  14  -8.602  -0.888   4.907
   73    HD1  HIS  14           1HD      HIS  14 -10.578  -1.770   7.695
   74    HD2  HIS  14           2HD      HIS  14  -7.264   0.550   7.197
   75    HE1  HIS  14           1HE      HIS  14  -9.586  -1.487   9.946
   76    H    VAL  15           H        VAL  15  -9.994  -1.075   3.348
   77    HA   VAL  15           HA       VAL  15 -10.783   0.667   1.058
   78    HB   VAL  15           HB       VAL  15  -9.651  -2.147   1.114
   79   1HG1  VAL  15          1HG1      VAL  15  -9.427  -1.887  -1.371
   80   2HG1  VAL  15          2HG1      VAL  15 -10.223  -0.324  -1.280
   81   3HG1  VAL  15          3HG1      VAL  15 -11.104  -1.787  -0.886
   82   1HG2  VAL  15          1HG2      VAL  15  -8.358   0.474   0.313
   83   2HG2  VAL  15          2HG2      VAL  15  -7.617  -1.116   0.169
   84   3HG2  VAL  15          3HG2      VAL  15  -7.993  -0.463   1.758
   85    H    CYS  16           H        CYS  16 -12.965   0.746   0.961
   86    HA   CYS  16           HA       CYS  16 -14.626  -1.538   1.694
   87   1HB   CYS  16          2HB       CYS  16 -16.439  -0.008   1.104
   88   2HB   CYS  16          1HB       CYS  16 -15.286   0.851   2.079
   89    H    ASN  17           H        ASN  17 -13.747  -3.105   0.374
   90    HA   ASN  17           HA       ASN  17 -14.030  -2.763  -2.552
   91   1HB   ASN  17          2HB       ASN  17 -11.966  -3.599  -1.862
   92   2HB   ASN  17          1HB       ASN  17 -12.597  -4.679  -0.671
   93   1HD2  ASN  17          1HD2      ASN  17 -12.586  -6.790  -1.405
   94   2HD2  ASN  17          2HD2      ASN  17 -12.637  -7.289  -3.020
   95    H    ASP  18           H        ASP  18 -16.021  -2.595  -2.573
   96    HA   ASP  18           HA       ASP  18 -18.178  -3.894  -1.459
   97   1HB   ASP  18          2HB       ASP  18 -18.376  -1.852  -2.766
   98   2HB   ASP  18          1HB       ASP  18 -17.964  -2.704  -4.242
   99    H    LEU  19           H        LEU  19 -17.849  -6.025  -1.248
  100    HA   LEU  19           HA       LEU  19 -17.604  -7.915  -3.348
  101   1HB   LEU  19          2HB       LEU  19 -17.081  -8.026  -0.761
  102   2HB   LEU  19          1HB       LEU  19 -18.793  -8.240  -0.579
  103    HG   LEU  19           HG       LEU  19 -18.770 -10.312  -1.914
  104   1HD1  LEU  19          1HD1      LEU  19 -16.547 -11.245  -2.513
  105   2HD1  LEU  19          2HD1      LEU  19 -15.774  -9.804  -1.855
  106   3HD1  LEU  19          3HD1      LEU  19 -16.762  -9.694  -3.301
  107   1HD2  LEU  19          1HD2      LEU  19 -18.523 -10.313   0.530
  108   2HD2  LEU  19          2HD2      LEU  19 -16.781 -10.190   0.384
  109   3HD2  LEU  19          3HD2      LEU  19 -17.618 -11.638  -0.166
  110    H    LYS  20           H        LYS  20 -19.495  -9.645  -3.498
  111    HA   LYS  20           HA       LYS  20 -21.856  -8.208  -4.386
  112   1HB   LYS  20          2HB       LYS  20 -22.695 -10.483  -4.942
  113   2HB   LYS  20          1HB       LYS  20 -21.051 -10.268  -5.510
  114   1HG   LYS  20          2HG       LYS  20 -20.207 -11.511  -3.492
  115   2HG   LYS  20          1HG       LYS  20 -21.870 -11.779  -2.989
  116   1HD   LYS  20          2HD       LYS  20 -22.352 -12.983  -5.089
  117   2HD   LYS  20          1HD       LYS  20 -20.700 -12.725  -5.628
  118   1HE   LYS  20          2HE       LYS  20 -19.861 -13.999  -3.652
  119   2HE   LYS  20          1HE       LYS  20 -21.519 -14.264  -3.125
  120   1HZ   LYS  20          1HZ       LYS  20 -21.969 -15.507  -5.078
  121   2HZ   LYS  20          2HZ       LYS  20 -20.549 -16.124  -4.380
  122   3HZ   LYS  20          3HZ       LYS  20 -20.458 -15.124  -5.750
  123    H    ILE  21           H        ILE  21 -21.017 -10.364  -1.710
  124    HA   ILE  21           HA       ILE  21 -23.040  -9.181   0.049
  125    HB   ILE  21           HB       ILE  21 -22.756 -12.149  -0.581
  126   1HG1  ILE  21          2HG1      ILE  21 -25.130 -10.272  -1.040
  127   2HG1  ILE  21          1HG1      ILE  21 -24.104 -10.941  -2.294
  128   1HG2  ILE  21          1HG2      ILE  21 -23.128 -11.738   1.827
  129   2HG2  ILE  21          2HG2      ILE  21 -24.567 -12.452   1.132
  130   3HG2  ILE  21          3HG2      ILE  21 -24.515 -10.721   1.456
  131   1HD1  ILE  21          1HD1      ILE  21 -24.818 -13.227  -1.726
  132   2HD1  ILE  21          2HD1      ILE  21 -26.185 -12.211  -2.155
  133   3HD1  ILE  21          3HD1      ILE  21 -25.884 -12.602  -0.476
  134    H    GLY  22           H        GLY  22 -21.769  -8.564   1.749
  135   1HA   GLY  22          2HA       GLY  22 -20.501  -8.970   3.680
  136   2HA   GLY  22          1HA       GLY  22 -19.908 -10.429   2.931
  137    H    TYR  23           H        TYR  23 -19.978  -7.129   1.976
  138    HA   TYR  23           HA       TYR  23 -17.809  -6.577   0.485
  139   1HB   TYR  23          2HB       TYR  23 -18.399  -4.749   2.790
  140   2HB   TYR  23          1HB       TYR  23 -17.879  -4.334   1.170
  141    HD1  TYR  23           1HD      TYR  23 -19.574  -5.555  -0.724
  142    HD2  TYR  23           2HD      TYR  23 -20.622  -4.215   3.160
  143    HE1  TYR  23           1HE      TYR  23 -21.905  -5.356  -1.427
  144    HE2  TYR  23           2HE      TYR  23 -22.966  -4.008   2.461
  145    HH   TYR  23           HH       TYR  23 -23.920  -3.954  -0.677
  146    H    GLU  24           H        GLU  24 -15.708  -5.828   0.698
  147    HA   GLU  24           HA       GLU  24 -14.269  -6.938   3.025
  148   1HB   GLU  24          2HB       GLU  24 -13.312  -6.235   0.277
  149   2HB   GLU  24          1HB       GLU  24 -12.382  -7.013   1.526
  150   1HG   GLU  24          2HG       GLU  24 -14.106  -8.851   1.578
  151   2HG   GLU  24          1HG       GLU  24 -14.903  -8.047   0.228
  152    H    CYS  25           H        CYS  25 -12.396  -6.067   3.691
  153    HA   CYS  25           HA       CYS  25 -12.072  -3.200   3.711
  154   1HB   CYS  25          2HB       CYS  25 -11.902  -5.253   5.936
  155   2HB   CYS  25          1HB       CYS  25 -11.333  -3.625   6.116
  156    H    LEU  26           H        LEU  26 -10.639  -3.885   1.870
  157    HA   LEU  26           HA       LEU  26  -8.317  -5.525   2.423
  158   1HB   LEU  26          2HB       LEU  26  -8.502  -3.534   0.135
  159   2HB   LEU  26          1HB       LEU  26  -7.670  -5.042   0.233
  160    HG   LEU  26           HG       LEU  26 -10.676  -4.862   0.153
  161   1HD1  LEU  26          1HD1      LEU  26  -9.697  -4.273  -2.026
  162   2HD1  LEU  26          2HD1      LEU  26 -10.436  -5.855  -2.121
  163   3HD1  LEU  26          3HD1      LEU  26  -8.702  -5.722  -2.002
  164   1HD2  LEU  26          1HD2      LEU  26  -8.880  -7.309   0.073
  165   2HD2  LEU  26          2HD2      LEU  26 -10.624  -7.295  -0.145
  166   3HD2  LEU  26          3HD2      LEU  26  -9.934  -6.850   1.405
  167    H    CYS  27           H        CYS  27  -6.209  -4.255   1.496
  168    HA   CYS  27           HA       CYS  27  -5.638  -2.226   3.546
  169   1HB   CYS  27          2HB       CYS  27  -3.867  -3.847   1.740
  170   2HB   CYS  27          1HB       CYS  27  -3.314  -2.745   2.971
  171    HA   PRO  28           HA       PRO  28  -6.085   1.068   0.487
  172   1HB   PRO  28          2HB       PRO  28  -4.151   2.367   2.398
  173   2HB   PRO  28          1HB       PRO  28  -5.617   3.010   1.704
  174   1HG   PRO  28          2HG       PRO  28  -5.640   2.174   4.194
  175   2HG   PRO  28          1HG       PRO  28  -7.011   1.805   3.130
  176   1HD   PRO  28          2HD       PRO  28  -4.796   0.022   4.048
  177   2HD   PRO  28          1HD       PRO  28  -6.519  -0.332   3.790
  178    H    ASP  29           H        ASP  29  -2.916   0.742   1.973
  179    HA   ASP  29           HA       ASP  29  -1.501   1.383  -0.484
  180   1HB   ASP  29          2HB       ASP  29   0.496   1.053   0.976
  181   2HB   ASP  29          1HB       ASP  29  -0.662   2.151   1.681
  182    H    GLY  30           H        GLY  30   0.516  -0.104  -0.772
  183   1HA   GLY  30          2HA       GLY  30  -0.276  -2.392  -2.130
  184   2HA   GLY  30          1HA       GLY  30   1.369  -2.009  -1.711
  185    H    PHE  31           H        PHE  31  -0.028  -2.364   1.275
  186    HA   PHE  31           HA       PHE  31   1.239  -4.872   1.703
  187   1HB   PHE  31          2HB       PHE  31  -0.759  -3.309   3.306
  188   2HB   PHE  31          1HB       PHE  31  -0.042  -4.763   3.924
  189    HD1  PHE  31           1HD      PHE  31   0.654  -3.079   5.731
  190    HD2  PHE  31           2HD      PHE  31   2.292  -3.033   1.796
  191    HE1  PHE  31           1HE      PHE  31   2.561  -1.713   6.511
  192    HE2  PHE  31           2HE      PHE  31   4.145  -1.681   2.562
  193    HZ   PHE  31           HZ       PHE  31   4.312  -1.034   4.894
  194    H    GLN  32           H        GLN  32   0.354  -6.633   2.786
  195    HA   GLN  32           HA       GLN  32  -1.910  -7.770   1.236
  196   1HB   GLN  32          2HB       GLN  32   0.243  -8.984   2.960
  197   2HB   GLN  32          1HB       GLN  32  -0.974  -9.912   2.126
  198   1HG   GLN  32          2HG       GLN  32  -0.089  -8.992  -0.054
  199   2HG   GLN  32          1HG       GLN  32   1.128  -8.092   0.846
  200   1HE2  GLN  32          1HE2      GLN  32   0.482 -11.082  -0.648
  201   2HE2  GLN  32          2HE2      GLN  32   1.776 -11.962   0.009
  202    H    LEU  33           H        LEU  33  -3.803  -8.202   2.196
  203    HA   LEU  33           HA       LEU  33  -4.182  -7.387   4.989
  204   1HB   LEU  33          2HB       LEU  33  -5.928  -7.034   3.093
  205   2HB   LEU  33          1HB       LEU  33  -6.235  -8.756   3.177
  206    HG   LEU  33           HG       LEU  33  -6.614  -8.397   5.728
  207   1HD1  LEU  33          1HD1      LEU  33  -7.255  -6.112   6.370
  208   2HD1  LEU  33          2HD1      LEU  33  -6.775  -5.513   4.801
  209   3HD1  LEU  33          3HD1      LEU  33  -5.569  -6.161   5.900
  210   1HD2  LEU  33          1HD2      LEU  33  -8.495  -8.824   4.249
  211   2HD2  LEU  33          2HD2      LEU  33  -8.594  -7.110   3.853
  212   3HD2  LEU  33          3HD2      LEU  33  -8.908  -7.656   5.495
  213    H    VAL  34           H        VAL  34  -4.118  -8.758   6.688
  214    HA   VAL  34           HA       VAL  34  -4.184 -11.672   6.191
  215    HB   VAL  34           HB       VAL  34  -2.620 -11.662   8.254
  216   1HG1  VAL  34          1HG1      VAL  34  -0.656 -11.272   6.731
  217   2HG1  VAL  34          2HG1      VAL  34  -1.699 -10.448   5.583
  218   3HG1  VAL  34          3HG1      VAL  34  -1.897 -12.168   5.876
  219   1HG2  VAL  34          1HG2      VAL  34  -2.884  -9.229   8.828
  220   2HG2  VAL  34          2HG2      VAL  34  -2.215  -8.817   7.265
  221   3HG2  VAL  34          3HG2      VAL  34  -1.225  -9.645   8.453
  222    H    ALA  35           H        ALA  35  -4.048 -10.304   9.411
  223    HA   ALA  35           HA       ALA  35  -6.340 -11.782  10.191
  224   1HB   ALA  35          1HB       ALA  35  -4.365 -11.694  11.610
  225   2HB   ALA  35          2HB       ALA  35  -5.708 -10.969  12.477
  226   3HB   ALA  35          3HB       ALA  35  -4.485  -9.949  11.738
  227    H    GLN  36           H        GLN  36  -7.510 -10.296   8.587
  228    HA   GLN  36           HA       GLN  36  -9.464  -9.064   8.317
  229   1HB   GLN  36          2HB       GLN  36  -9.155  -8.155  11.225
  230   2HB   GLN  36          1HB       GLN  36 -10.547  -7.933  10.206
  231   1HG   GLN  36          2HG       GLN  36 -10.907 -10.354  10.025
  232   2HG   GLN  36          1HG       GLN  36  -9.458 -10.672  10.971
  233   1HE2  GLN  36          1HE2      GLN  36  -9.462  -9.408  13.184
  234   2HE2  GLN  36          2HE2      GLN  36 -10.932  -9.430  14.036
  235    H    ARG  37           H        ARG  37  -6.978  -7.232  10.114
  236    HA   ARG  37           HA       ARG  37  -6.997  -5.174   8.034
  237   1HB   ARG  37          2HB       ARG  37  -7.645  -3.298   9.387
  238   2HB   ARG  37          1HB       ARG  37  -8.919  -4.482   9.445
  239   1HG   ARG  37          2HG       ARG  37  -6.894  -3.911  11.627
  240   2HG   ARG  37          1HG       ARG  37  -8.593  -3.514  11.642
  241   1HD   ARG  37          2HD       ARG  37  -9.161  -5.934  11.542
  242   2HD   ARG  37          1HD       ARG  37  -7.434  -6.300  11.636
  243    HE   ARG  37           HE       ARG  37  -8.270  -4.540  13.776
  244   1HH1  ARG  37          2HH1      ARG  37  -8.087  -7.841  12.733
  245   2HH1  ARG  37          1HH1      ARG  37  -8.067  -8.468  14.346
  246   1HH2  ARG  37          1HH2      ARG  37  -8.244  -5.307  15.819
  247   2HH2  ARG  37          2HH2      ARG  37  -8.155  -7.010  16.123
  248    H    ARG  38           H        ARG  38  -5.217  -7.058   9.495
  249    HA   ARG  38           HA       ARG  38  -3.169  -5.276  10.703
  250   1HB   ARG  38          2HB       ARG  38  -3.625  -8.260  10.578
  251   2HB   ARG  38          1HB       ARG  38  -2.062  -7.663  11.020
  252   1HG   ARG  38          2HG       ARG  38  -3.402  -8.311  12.968
  253   2HG   ARG  38          1HG       ARG  38  -2.876  -6.650  13.021
  254   1HD   ARG  38          2HD       ARG  38  -5.583  -7.377  11.990
  255   2HD   ARG  38          1HD       ARG  38  -5.310  -7.168  13.717
  256    HE   ARG  38           HE       ARG  38  -5.101  -5.067  11.610
  257   1HH1  ARG  38          2HH1      ARG  38  -4.934  -5.942  14.973
  258   2HH1  ARG  38          1HH1      ARG  38  -4.991  -4.294  15.495
  259   1HH2  ARG  38          1HH2      ARG  38  -5.165  -3.005  12.267
  260   2HH2  ARG  38          2HH2      ARG  38  -5.121  -2.613  13.954
  261    H    CYS  39           H        CYS  39  -3.525  -4.734   8.102
  262    HA   CYS  39           HA       CYS  39  -2.255  -5.966   6.035
  263   1HB   CYS  39          2HB       CYS  39  -2.122  -3.035   6.754
  264   2HB   CYS  39          1HB       CYS  39  -1.794  -3.684   5.165
  265    H    GLU  40           H        GLU  40  -0.331  -6.771   5.618
  266    HA   GLU  40           HA       GLU  40   2.020  -5.913   7.184
  267   1HB   GLU  40          2HB       GLU  40   2.908  -8.061   6.626
  268   2HB   GLU  40          1HB       GLU  40   1.311  -8.272   7.318
  269   1HG   GLU  40          2HG       GLU  40   0.399  -8.310   4.949
  270   2HG   GLU  40          1HG       GLU  40   2.030  -8.242   4.348
  271    H    ASP  41           H        ASP  41   3.928  -5.593   6.349
  272    HA   ASP  41           HA       ASP  41   4.118  -4.602   3.581
  273   1HB   ASP  41          2HB       ASP  41   4.986  -3.209   5.557
  274   2HB   ASP  41          1HB       ASP  41   6.121  -4.483   5.876
  275    H    ILE  42           H        ILE  42   6.174  -4.961   2.532
  276    HA   ILE  42           HA       ILE  42   7.170  -7.683   2.709
  277    HB   ILE  42           HB       ILE  42   5.834  -7.407   0.648
  278   1HG1  ILE  42          2HG1      ILE  42   7.502  -7.702  -1.171
  279   2HG1  ILE  42          1HG1      ILE  42   8.771  -7.148  -0.100
  280   1HG2  ILE  42          1HG2      ILE  42   5.704  -4.965   0.555
  281   2HG2  ILE  42          2HG2      ILE  42   6.217  -5.603  -0.995
  282   3HG2  ILE  42          3HG2      ILE  42   7.385  -4.861   0.073
  283   1HD1  ILE  42          1HD1      ILE  42   8.703  -9.621  -0.188
  284   2HD1  ILE  42          2HD1      ILE  42   7.030  -9.611   0.348
  285   3HD1  ILE  42          3HD1      ILE  42   8.307  -9.075   1.430
  286    H    ASP  43           H        ASP  43   9.397  -7.672   3.111
  287    HA   ASP  43           HA       ASP  43  10.700  -4.982   3.189
  288   1HB   ASP  43          2HB       ASP  43  10.529  -6.439   5.247
  289   2HB   ASP  43          1HB       ASP  43  11.627  -7.568   4.475
  290    H    GLU  44           H        GLU  44  11.936  -4.432   1.671
  291    HA   GLU  44           HA       GLU  44  13.079  -6.251  -0.281
  292   1HB   GLU  44          2HB       GLU  44  13.484  -3.265  -0.040
  293   2HB   GLU  44          1HB       GLU  44  13.705  -4.276  -1.445
  294   1HG   GLU  44          2HG       GLU  44  11.717  -3.045  -1.697
  295   2HG   GLU  44          1HG       GLU  44  11.241  -4.717  -1.518
  296    H    CYS  45           H        CYS  45  14.135  -4.425   2.501
  297    HA   CYS  45           HA       CYS  45  16.868  -4.237   1.927
  298   1HB   CYS  45          2HB       CYS  45  15.442  -4.396   4.604
  299   2HB   CYS  45          1HB       CYS  45  17.095  -4.003   4.408
  300    H    GLN  46           H        GLN  46  15.306  -6.280   4.185
  301    HA   GLN  46           HA       GLN  46  17.206  -8.062   4.990
  302   1HB   GLN  46          2HB       GLN  46  14.294  -8.628   4.324
  303   2HB   GLN  46          1HB       GLN  46  15.300  -9.683   5.280
  304   1HG   GLN  46          2HG       GLN  46  14.683  -6.776   5.970
  305   2HG   GLN  46          1HG       GLN  46  13.895  -8.156   6.718
  306   1HE2  GLN  46          1HE2      GLN  46  15.435  -9.693   7.912
  307   2HE2  GLN  46          2HE2      GLN  46  16.794  -9.013   8.669
  308    H    ASP  47           H        ASP  47  15.333  -8.281   2.041
  309    HA   ASP  47           HA       ASP  47  16.543 -10.716   1.189
  310   1HB   ASP  47          2HB       ASP  47  14.238 -10.134   0.496
  311   2HB   ASP  47          1HB       ASP  47  14.835  -8.705  -0.334
  312    HA   PRO  48           HA       PRO  48  20.059  -8.390  -0.434
  313   1HB   PRO  48          2HB       PRO  48  21.558 -10.448  -1.329
  314   2HB   PRO  48          1HB       PRO  48  21.301 -10.193   0.381
  315   1HG   PRO  48          2HG       PRO  48  19.883 -12.100  -1.438
  316   2HG   PRO  48          1HG       PRO  48  20.535 -12.377   0.186
  317   1HD   PRO  48          2HD       PRO  48  17.901 -11.864  -0.312
  318   2HD   PRO  48          1HD       PRO  48  18.709 -11.461   1.215
  319    H    ASP  49           H        ASP  49  18.632  -7.408  -1.978
  320    HA   ASP  49           HA       ASP  49  19.264  -8.226  -4.751
  321   1HB   ASP  49          2HB       ASP  49  17.069  -9.198  -4.303
  322   2HB   ASP  49          1HB       ASP  49  16.487  -7.670  -3.656
  323    H    THR  50           H        THR  50  17.266  -5.826  -3.105
  324    HA   THR  50           HA       THR  50  17.842  -3.700  -4.870
  325    HB   THR  50           HB       THR  50  16.779  -2.307  -3.004
  326    HG1  THR  50           1HG      THR  50  15.998  -3.803  -1.299
  327   1HG2  THR  50          1HG2      THR  50  15.348  -3.631  -4.660
  328   2HG2  THR  50          2HG2      THR  50  14.605  -3.500  -3.081
  329   3HG2  THR  50          3HG2      THR  50  15.398  -4.995  -3.554
  330    H    CYS  51           H        CYS  51  18.817  -3.419  -1.440
  331    HA   CYS  51           HA       CYS  51  21.035  -1.714  -2.266
  332   1HB   CYS  51          2HB       CYS  51  20.385  -2.858   0.454
  333   2HB   CYS  51          1HB       CYS  51  21.310  -1.431   0.094
  334    H    SER  52           H        SER  52  23.231  -2.391  -2.486
  335    HA   SER  52           HA       SER  52  23.731  -5.297  -2.263
  336   1HB   SER  52          2HB       SER  52  24.557  -3.988  -4.262
  337   2HB   SER  52          1HB       SER  52  25.557  -3.004  -3.183
  338    HG   SER  52           HG       SER  52  26.714  -4.771  -2.626
  339    H    GLN  53           H        GLN  53  23.407  -3.061  -0.171
  340    HA   GLN  53           HA       GLN  53  25.305  -4.045   1.816
  341   1HB   GLN  53          2HB       GLN  53  25.379  -1.210   2.188
  342   2HB   GLN  53          1HB       GLN  53  26.637  -2.209   1.607
  343   1HG   GLN  53          2HG       GLN  53  26.047  -0.193   0.176
  344   2HG   GLN  53          1HG       GLN  53  25.782  -1.660  -0.748
  345   1HE2  GLN  53          1HE2      GLN  53  24.143  -0.620  -2.090
  346   2HE2  GLN  53          2HE2      GLN  53  22.618  -0.218  -1.467
  347    H    LEU  54           H        LEU  54  24.636  -1.824   3.526
  348    HA   LEU  54           HA       LEU  54  22.448  -2.830   4.931
  349   1HB   LEU  54          2HB       LEU  54  24.264  -1.661   5.903
  350   2HB   LEU  54          1HB       LEU  54  24.074  -0.281   4.854
  351    HG   LEU  54           HG       LEU  54  21.926  -0.983   6.910
  352   1HD1  LEU  54          1HD1      LEU  54  24.373   0.863   7.122
  353   2HD1  LEU  54          2HD1      LEU  54  24.211  -0.664   7.975
  354   3HD1  LEU  54          3HD1      LEU  54  23.122   0.668   8.347
  355   1HD2  LEU  54          1HD2      LEU  54  21.510   1.462   6.605
  356   2HD2  LEU  54          2HD2      LEU  54  21.489   0.750   5.011
  357   3HD2  LEU  54          3HD2      LEU  54  22.923   1.570   5.559
  358    H    CYS  55           H        CYS  55  20.480  -1.644   5.452
  359    HA   CYS  55           HA       CYS  55  19.373   0.189   3.441
  360   1HB   CYS  55          2HB       CYS  55  19.181  -1.961   2.297
  361   2HB   CYS  55          1HB       CYS  55  18.441  -2.712   3.624
  362    H    VAL  56           H        VAL  56  16.999   0.520   3.869
  363    HA   VAL  56           HA       VAL  56  16.232   0.268   6.733
  364    HB   VAL  56           HB       VAL  56  16.305   2.926   5.208
  365   1HG1  VAL  56          1HG1      VAL  56  14.385   2.787   6.796
  366   2HG1  VAL  56          2HG1      VAL  56  15.583   3.933   7.364
  367   3HG1  VAL  56          3HG1      VAL  56  15.483   2.335   8.089
  368   1HG2  VAL  56          1HG2      VAL  56  18.569   2.227   5.946
  369   2HG2  VAL  56          2HG2      VAL  56  17.974   1.996   7.582
  370   3HG2  VAL  56          3HG2      VAL  56  18.012   3.604   6.876
  371    H    ASN  57           H        ASN  57  14.528  -0.960   6.383
  372    HA   ASN  57           HA       ASN  57  12.595  -0.465   4.239
  373   1HB   ASN  57          2HB       ASN  57  13.303  -2.772   4.869
  374   2HB   ASN  57          1HB       ASN  57  12.606  -2.521   6.461
  375   1HD2  ASN  57          1HD2      ASN  57  10.825  -3.881   6.480
  376   2HD2  ASN  57          2HD2      ASN  57   9.596  -3.874   5.311
  377    H    LEU  58           H        LEU  58  10.388  -0.476   4.606
  378    HA   LEU  58           HA       LEU  58   8.870   0.140   6.925
  379   1HB   LEU  58          2HB       LEU  58   8.376   2.524   6.661
  380   2HB   LEU  58          1HB       LEU  58  10.073   2.337   6.936
  381    HG   LEU  58           HG       LEU  58   8.953   2.703   4.129
  382   1HD1  LEU  58          1HD1      LEU  58  10.099   4.789   6.068
  383   2HD1  LEU  58          2HD1      LEU  58   8.410   4.687   5.592
  384   3HD1  LEU  58          3HD1      LEU  58   9.632   5.090   4.400
  385   1HD2  LEU  58          1HD2      LEU  58  11.280   3.400   3.707
  386   2HD2  LEU  58          2HD2      LEU  58  11.229   1.764   4.320
  387   3HD2  LEU  58          3HD2      LEU  58  11.693   3.088   5.380
  388    H    GLU  59           H        GLU  59   7.055   1.858   5.652
  389    HA   GLU  59           HA       GLU  59   5.689  -0.110   4.031
  390   1HB   GLU  59          2HB       GLU  59   4.392   1.446   5.558
  391   2HB   GLU  59          1HB       GLU  59   4.927   2.817   4.605
  392   1HG   GLU  59          2HG       GLU  59   3.621   2.027   2.643
  393   2HG   GLU  59          1HG       GLU  59   3.195   0.551   3.459
  394    H    GLY  60           H        GLY  60   6.895  -0.582   2.542
  395   1HA   GLY  60          2HA       GLY  60   7.614  -0.724   0.403
  396   2HA   GLY  60          1HA       GLY  60   6.260   0.327   0.037
  397    H    GLY  61           H        GLY  61   7.911   2.118   2.079
  398   1HA   GLY  61          2HA       GLY  61   9.217   3.745   0.012
  399   2HA   GLY  61          1HA       GLY  61   8.957   4.192   1.692
  400    H    TYR  62           H        TYR  62  10.358   1.214   1.404
  401    HA   TYR  62           HA       TYR  62  12.657   1.627   2.852
  402   1HB   TYR  62          2HB       TYR  62  13.587  -0.417   1.921
  403   2HB   TYR  62          1HB       TYR  62  11.841  -0.599   2.011
  404    HD1  TYR  62           1HD      TYR  62  10.475  -0.099  -0.156
  405    HD2  TYR  62           2HD      TYR  62  14.703  -0.587  -0.139
  406    HE1  TYR  62           1HE      TYR  62  10.449  -0.474  -2.576
  407    HE2  TYR  62           2HE      TYR  62  14.680  -0.964  -2.547
  408    HH   TYR  62           HH       TYR  62  12.370  -1.897  -4.232
  409    H    LYS  63           H        LYS  63  14.788   2.077   2.556
  410    HA   LYS  63           HA       LYS  63  15.712   2.978  -0.115
  411   1HB   LYS  63          2HB       LYS  63  14.788   4.941   0.949
  412   2HB   LYS  63          1HB       LYS  63  15.811   4.726   2.370
  413   1HG   LYS  63          2HG       LYS  63  17.812   5.115   0.924
  414   2HG   LYS  63          1HG       LYS  63  16.771   5.324  -0.470
  415   1HD   LYS  63          2HD       LYS  63  16.820   7.059   2.044
  416   2HD   LYS  63          1HD       LYS  63  17.511   7.493   0.494
  417   1HE   LYS  63          2HE       LYS  63  15.233   7.426  -0.542
  418   2HE   LYS  63          1HE       LYS  63  14.539   7.030   1.025
  419   1HZ   LYS  63          1HZ       LYS  63  14.371   9.361   0.587
  420   2HZ   LYS  63          2HZ       LYS  63  16.053   9.485   0.385
  421   3HZ   LYS  63          3HZ       LYS  63  15.408   9.086   1.905
  422    H    CYS  64           H        CYS  64  17.829   3.333  -0.227
  423    HA   CYS  64           HA       CYS  64  19.483   1.538   1.459
  424   1HB   CYS  64          2HB       CYS  64  20.008   2.646  -1.278
  425   2HB   CYS  64          1HB       CYS  64  20.973   1.496  -0.430
  426    H    GLN  65           H        GLN  65  21.586   1.977   1.802
  427    HA   GLN  65           HA       GLN  65  22.771   4.687   1.765
  428   1HB   GLN  65          2HB       GLN  65  22.553   3.142   4.381
  429   2HB   GLN  65          1HB       GLN  65  23.207   4.735   4.152
  430   1HG   GLN  65          2HG       GLN  65  20.992   5.668   3.601
  431   2HG   GLN  65          1HG       GLN  65  20.256   4.082   3.813
  432   1HE2  GLN  65          1HE2      GLN  65  20.528   3.070   6.020
  433   2HE2  GLN  65          2HE2      GLN  65  20.582   4.096   7.372
  434    H    CYS  66           H        CYS  66  24.958   4.005   3.321
  435    HA   CYS  66           HA       CYS  66  26.008   1.652   1.824
  436   1HB   CYS  66          2HB       CYS  66  27.645   3.770   3.164
  437   2HB   CYS  66          1HB       CYS  66  28.084   2.576   2.079
  438    H    GLU  67           H        GLU  67  27.216   0.222   2.783
  439    HA   GLU  67           HA       GLU  67  26.674  -0.418   5.607
  440   1HB   GLU  67          2HB       GLU  67  26.425  -2.112   3.834
  441   2HB   GLU  67          1HB       GLU  67  28.108  -1.942   3.386
  442   1HG   GLU  67          2HG       GLU  67  28.736  -2.840   5.665
  443   2HG   GLU  67          1HG       GLU  67  27.025  -3.001   6.035
  444    H    GLU  68           H        GLU  68  27.927   1.540   6.127
  445    HA   GLU  68           HA       GLU  68  29.769   2.613   7.040
  446   1HB   GLU  68          2HB       GLU  68  30.684  -0.278   7.421
  447   2HB   GLU  68          1HB       GLU  68  31.393   1.106   8.223
  448   1HG   GLU  68          2HG       GLU  68  29.188   1.623   9.273
  449   2HG   GLU  68          1HG       GLU  68  28.462   0.257   8.442
  450    H    GLY  69           H        GLY  69  31.649  -0.066   5.786
  451   1HA   GLY  69          2HA       GLY  69  33.736   1.513   4.762
  452   2HA   GLY  69          1HA       GLY  69  33.504  -0.192   4.427
  453    H    PHE  70           H        PHE  70  30.711   0.756   3.411
  454    HA   PHE  70           HA       PHE  70  31.490   0.885   0.679
  455   1HB   PHE  70          2HB       PHE  70  28.860   0.822   2.127
  456   2HB   PHE  70          1HB       PHE  70  28.914   0.958   0.383
  457    HD1  PHE  70           1HD      PHE  70  27.912  -1.053  -0.192
  458    HD2  PHE  70           2HD      PHE  70  31.155  -1.206   2.530
  459    HE1  PHE  70           1HE      PHE  70  27.946  -3.499  -0.363
  460    HE2  PHE  70           2HE      PHE  70  31.191  -3.641   2.376
  461    HZ   PHE  70           HZ       PHE  70  29.586  -4.805   0.921
  462    H    GLN  71           H        GLN  71  30.648   2.508  -0.825
  463    HA   GLN  71           HA       GLN  71  30.166   5.151   0.327
  464   1HB   GLN  71          2HB       GLN  71  32.293   4.225  -1.567
  465   2HB   GLN  71          1HB       GLN  71  31.651   5.806  -1.828
  466   1HG   GLN  71          2HG       GLN  71  32.814   4.823   0.831
  467   2HG   GLN  71          1HG       GLN  71  33.663   5.863  -0.310
  468   1HE2  GLN  71          1HE2      GLN  71  33.128   6.808   2.294
  469   2HE2  GLN  71          2HE2      GLN  71  31.966   8.043   2.221
  470    H    LEU  72           H        LEU  72  29.718   6.691  -1.357
  471    HA   LEU  72           HA       LEU  72  27.311   5.733  -2.748
  472   1HB   LEU  72          2HB       LEU  72  27.332   7.912  -1.563
  473   2HB   LEU  72          1HB       LEU  72  28.530   8.513  -2.691
  474    HG   LEU  72           HG       LEU  72  26.896   8.018  -4.579
  475   1HD1  LEU  72          1HD1      LEU  72  25.477   6.330  -3.472
  476   2HD1  LEU  72          2HD1      LEU  72  24.516   7.686  -4.021
  477   3HD1  LEU  72          3HD1      LEU  72  24.923   7.536  -2.322
  478   1HD2  LEU  72          1HD2      LEU  72  25.448   9.992  -4.098
  479   2HD2  LEU  72          2HD2      LEU  72  27.112  10.307  -3.626
  480   3HD2  LEU  72          3HD2      LEU  72  25.911   9.917  -2.402
  481    H    ASP  73           H        ASP  73  27.779   4.565  -4.471
  482    HA   ASP  73           HA       ASP  73  29.879   5.187  -6.379
  483   1HB   ASP  73          2HB       ASP  73  29.075   2.845  -6.083
  484   2HB   ASP  73          1HB       ASP  73  27.494   3.296  -6.695
  485    HA   PRO  74           HA       PRO  74  27.334   8.213  -8.540
  486   1HB   PRO  74          2HB       PRO  74  29.042   8.865 -10.524
  487   2HB   PRO  74          1HB       PRO  74  29.355   9.337  -8.872
  488   1HG   PRO  74          2HG       PRO  74  30.471   6.992 -10.366
  489   2HG   PRO  74          1HG       PRO  74  31.317   8.176  -9.353
  490   1HD   PRO  74          2HD       PRO  74  30.606   5.738  -8.449
  491   2HD   PRO  74          1HD       PRO  74  30.671   7.159  -7.393
  492    H    HIS  75           H        HIS  75  26.531   8.567 -10.748
  493    HA   HIS  75           HA       HIS  75  25.384   7.900 -12.653
  494   1HB   HIS  75          2HB       HIS  75  27.389   5.587 -12.725
  495   2HB   HIS  75          1HB       HIS  75  26.376   6.129 -14.051
  496    HD1  HIS  75           1HD      HIS  75  29.228   7.345 -11.989
  497    HD2  HIS  75           2HD      HIS  75  27.350   8.340 -15.475
  498    HE1  HIS  75           1HE      HIS  75  30.619   9.084 -13.054
  499    H    THR  76           H        THR  76  25.350   6.283  -9.893
  500    HA   THR  76           HA       THR  76  23.030   4.580 -10.622
  501    HB   THR  76           HB       THR  76  23.927   2.804  -9.045
  502    HG1  THR  76           1HG      THR  76  26.224   4.441  -9.163
  503   1HG2  THR  76          1HG2      THR  76  26.024   3.563 -11.180
  504   2HG2  THR  76          2HG2      THR  76  24.579   2.639 -11.557
  505   3HG2  THR  76          3HG2      THR  76  25.797   1.968 -10.486
  506    H    LYS  77           H        LYS  77  24.936   6.129  -8.264
  507    HA   LYS  77           HA       LYS  77  24.486   7.291  -6.283
  508   1HB   LYS  77          2HB       LYS  77  21.695   6.935  -7.097
  509   2HB   LYS  77          1HB       LYS  77  22.203   8.020  -5.832
  510   1HG   LYS  77          2HG       LYS  77  23.609   9.266  -7.498
  511   2HG   LYS  77          1HG       LYS  77  23.025   8.208  -8.772
  512   1HD   LYS  77          2HD       LYS  77  20.687   8.962  -8.324
  513   2HD   LYS  77          1HD       LYS  77  21.274  10.022  -7.055
  514   1HE   LYS  77          2HE       LYS  77  20.946  11.280  -9.172
  515   2HE   LYS  77          1HE       LYS  77  22.646  11.267  -8.726
  516   1HZ   LYS  77          1HZ       LYS  77  21.635   9.139 -10.463
  517   2HZ   LYS  77          2HZ       LYS  77  23.176   9.847 -10.400
  518   3HZ   LYS  77          3HZ       LYS  77  21.887  10.682 -11.126
  519    H    ALA  78           H        ALA  78  24.288   4.277  -6.777
  520    HA   ALA  78           HA       ALA  78  22.887   3.328  -4.330
  521   1HB   ALA  78          1HB       ALA  78  22.464   2.147  -6.491
  522   2HB   ALA  78          2HB       ALA  78  23.256   1.087  -5.333
  523   3HB   ALA  78          3HB       ALA  78  24.183   1.817  -6.637
  524    H    CYS  79           H        CYS  79  24.064   2.084  -2.800
  525    HA   CYS  79           HA       CYS  79  26.918   2.837  -2.667
  526   1HB   CYS  79          2HB       CYS  79  25.091   1.651  -0.624
  527   2HB   CYS  79          1HB       CYS  79  26.779   1.925  -0.338
  528    H    LYS  80           H        LYS  80  28.540   1.494  -2.186
  529    HA   LYS  80           HA       LYS  80  28.233  -1.413  -2.066
  530   1HB   LYS  80          2HB       LYS  80  29.696  -1.903  -3.710
  531   2HB   LYS  80          1HB       LYS  80  28.251  -1.220  -4.474
  532   1HG   LYS  80          2HG       LYS  80  29.521   1.009  -4.654
  533   2HG   LYS  80          1HG       LYS  80  30.964   0.191  -4.085
  534   1HD   LYS  80          2HD       LYS  80  30.813  -1.388  -6.030
  535   2HD   LYS  80          1HD       LYS  80  29.435  -0.476  -6.625
  536   1HE   LYS  80          2HE       LYS  80  31.497   0.317  -7.741
  537   2HE   LYS  80          1HE       LYS  80  30.852   1.578  -6.700
  538   1HZ   LYS  80          1HZ       LYS  80  33.343   0.985  -6.617
  539   2HZ   LYS  80          2HZ       LYS  80  32.827  -0.273  -5.599
  540   3HZ   LYS  80          3HZ       LYS  80  32.499   1.340  -5.187
  541    H    ALA  81           H        ALA  81  30.558  -2.360  -1.783
  542    HA   ALA  81           HA       ALA  81  32.093  -1.077   0.174
  543   1HB   ALA  81          1HB       ALA  81  33.891  -2.680  -0.423
  544   2HB   ALA  81          2HB       ALA  81  33.066  -3.042  -1.932
  545   3HB   ALA  81          3HB       ALA  81  32.321  -3.469  -0.400
  546    H    VAL  82           H        VAL  82  33.437   0.635   0.192
  547    HA   VAL  82           HA       VAL  82  33.858   2.358  -1.917
  548    HB   VAL  82           HB       VAL  82  34.274   2.913   0.455
  549   1HG1  VAL  82          1HG1      VAL  82  36.370   2.185   1.579
  550   2HG1  VAL  82          2HG1      VAL  82  36.808   1.223   0.179
  551   3HG1  VAL  82          3HG1      VAL  82  35.416   0.782   1.138
  552   1HG2  VAL  82          1HG2      VAL  82  36.736   3.378  -1.275
  553   2HG2  VAL  82          2HG2      VAL  82  36.319   4.278   0.171
  554   3HG2  VAL  82          3HG2      VAL  82  35.292   4.374  -1.248
  Start of MODEL    6
    1    H    GLY   1           H        GLY   1 -26.370  -5.813   4.182
    2   1HA   GLY   1          2HA       GLY   1 -24.325  -5.541   2.531
    3   2HA   GLY   1          1HA       GLY   1 -25.568  -4.841   1.498
    4    H    THR   2           H        THR   2 -27.034  -3.350   3.005
    5    HA   THR   2           HA       THR   2 -27.211  -1.148   3.642
    6    HB   THR   2           HB       THR   2 -27.338  -2.536   5.643
    7    HG1  THR   2           1HG      THR   2 -27.249  -0.068   5.517
    8   1HG2  THR   2          1HG2      THR   2 -24.455  -1.618   6.103
    9   2HG2  THR   2          2HG2      THR   2 -24.919  -3.283   5.782
   10   3HG2  THR   2          3HG2      THR   2 -25.449  -2.501   7.258
   11    H    ASN   3           H        ASN   3 -25.886   0.659   5.000
   12    HA   ASN   3           HA       ASN   3 -23.448   1.237   3.386
   13   1HB   ASN   3          2HB       ASN   3 -25.515   2.682   3.155
   14   2HB   ASN   3          1HB       ASN   3 -25.325   3.147   4.832
   15   1HD2  ASN   3          1HD2      ASN   3 -25.223   5.274   3.275
   16   2HD2  ASN   3          2HD2      ASN   3 -23.642   5.823   2.995
   17    H    GLU   4           H        GLU   4 -22.564  -0.298   5.049
   18    HA   GLU   4           HA       GLU   4 -22.233   0.522   7.789
   19   1HB   GLU   4          2HB       GLU   4 -20.798  -1.391   7.948
   20   2HB   GLU   4          1HB       GLU   4 -22.057  -1.854   6.838
   21   1HG   GLU   4          2HG       GLU   4 -19.214  -1.006   6.107
   22   2HG   GLU   4          1HG       GLU   4 -19.889  -2.599   5.935
   23    H    CYS   5           H        CYS   5 -21.036   1.768   4.985
   24    HA   CYS   5           HA       CYS   5 -18.328   2.268   5.584
   25   1HB   CYS   5          2HB       CYS   5 -19.730   2.398   3.368
   26   2HB   CYS   5          1HB       CYS   5 -20.030   4.039   3.851
   27    H    LEU   6           H        LEU   6 -21.302   3.733   6.266
   28    HA   LEU   6           HA       LEU   6 -20.754   6.330   7.017
   29   1HB   LEU   6          2HB       LEU   6 -22.687   4.349   8.233
   30   2HB   LEU   6          1HB       LEU   6 -22.757   6.071   8.489
   31    HG   LEU   6           HG       LEU   6 -22.956   4.664   5.782
   32   1HD1  LEU   6          1HD1      LEU   6 -24.945   4.285   7.221
   33   2HD1  LEU   6          2HD1      LEU   6 -25.359   5.342   5.880
   34   3HD1  LEU   6          3HD1      LEU   6 -25.101   6.016   7.484
   35   1HD2  LEU   6          1HD2      LEU   6 -22.053   7.002   5.570
   36   2HD2  LEU   6          2HD2      LEU   6 -23.416   7.607   6.496
   37   3HD2  LEU   6          3HD2      LEU   6 -23.668   6.901   4.910
   38    H    ASP   7           H        ASP   7 -20.434   3.403   8.863
   39    HA   ASP   7           HA       ASP   7 -19.330   4.823  11.261
   40   1HB   ASP   7          2HB       ASP   7 -21.137   2.975  11.441
   41   2HB   ASP   7          1HB       ASP   7 -19.937   1.879  10.776
   42    H    ASN   8           H        ASN   8 -17.607   2.730  11.959
   43    HA   ASN   8           HA       ASN   8 -15.248   3.423  10.696
   44   1HB   ASN   8          2HB       ASN   8 -16.056   0.962  12.056
   45   2HB   ASN   8          1HB       ASN   8 -14.370   1.285  11.715
   46   1HD2  ASN   8          1HD2      ASN   8 -17.129   2.215  13.729
   47   2HD2  ASN   8          2HD2      ASN   8 -16.259   3.224  14.778
   48    H    ASN   9           H        ASN   9 -14.616   2.977   8.563
   49    HA   ASN   9           HA       ASN   9 -16.133   1.714   6.665
   50   1HB   ASN   9          2HB       ASN   9 -13.135   2.127   6.822
   51   2HB   ASN   9          1HB       ASN   9 -13.929   1.567   5.369
   52   1HD2  ASN   9          1HD2      ASN   9 -14.853   4.093   7.790
   53   2HD2  ASN   9          2HD2      ASN   9 -15.058   5.315   6.635
   54    H    GLY  10           H        GLY  10 -16.969  -0.117   7.550
   55   1HA   GLY  10          2HA       GLY  10 -17.300  -2.387   7.528
   56   2HA   GLY  10          1HA       GLY  10 -15.760  -2.554   6.714
   57    H    GLY  11           H        GLY  11 -14.775  -0.788   9.122
   58   1HA   GLY  11          2HA       GLY  11 -14.956  -1.755  11.621
   59   2HA   GLY  11          1HA       GLY  11 -13.962  -3.005  10.861
   60    H    CYS  12           H        CYS  12 -13.480  -0.001   9.345
   61    HA   CYS  12           HA       CYS  12 -11.329   0.867  11.122
   62   1HB   CYS  12          2HB       CYS  12 -11.132   0.019   8.248
   63   2HB   CYS  12          1HB       CYS  12  -9.935   0.914   9.084
   64    H    SER  13           H        SER  13 -10.621   2.282   8.359
   65    HA   SER  13           HA       SER  13 -12.779   4.077   7.888
   66   1HB   SER  13          2HB       SER  13 -11.660   6.127   8.848
   67   2HB   SER  13          1HB       SER  13 -11.980   4.938  10.118
   68    HG   SER  13           HG       SER  13  -9.850   4.120   9.745
   69    H    HIS  14           H        HIS  14 -10.972   2.330   6.674
   70    HA   HIS  14           HA       HIS  14  -9.379   3.981   4.790
   71   1HB   HIS  14          2HB       HIS  14  -9.483   0.955   5.336
   72   2HB   HIS  14          1HB       HIS  14  -8.355   1.754   4.265
   73    HD1  HIS  14           1HD      HIS  14  -7.541   0.155   6.832
   74    HD2  HIS  14           2HD      HIS  14  -7.759   4.229   6.655
   75    HE1  HIS  14           1HE      HIS  14  -6.094   1.008   8.640
   76    H    VAL  15           H        VAL  15 -10.224   1.025   3.493
   77    HA   VAL  15           HA       VAL  15 -12.453   2.230   1.961
   78    HB   VAL  15           HB       VAL  15 -10.534   1.266   0.755
   79   1HG1  VAL  15          1HG1      VAL  15 -10.121  -1.130   0.706
   80   2HG1  VAL  15          2HG1      VAL  15 -11.290  -1.417   1.977
   81   3HG1  VAL  15          3HG1      VAL  15  -9.835  -0.502   2.320
   82   1HG2  VAL  15          1HG2      VAL  15 -12.810   1.151  -0.312
   83   2HG2  VAL  15          2HG2      VAL  15 -13.103  -0.396   0.462
   84   3HG2  VAL  15          3HG2      VAL  15 -11.868  -0.256  -0.773
   85    H    CYS  16           H        CYS  16 -14.468   1.703   2.442
   86    HA   CYS  16           HA       CYS  16 -15.045  -0.368   4.433
   87   1HB   CYS  16          2HB       CYS  16 -17.320   0.515   4.213
   88   2HB   CYS  16          1HB       CYS  16 -16.192   1.800   4.494
   89    H    ASN  17           H        ASN  17 -14.527  -2.333   3.367
   90    HA   ASN  17           HA       ASN  17 -15.570  -2.787   0.657
   91   1HB   ASN  17          2HB       ASN  17 -13.424  -3.699   1.228
   92   2HB   ASN  17          1HB       ASN  17 -14.028  -4.530   2.631
   93   1HD2  ASN  17          1HD2      ASN  17 -13.257  -6.595   1.622
   94   2HD2  ASN  17          2HD2      ASN  17 -14.108  -7.306   0.342
   95    H    ASP  18           H        ASP  18 -17.625  -2.645   0.789
   96    HA   ASP  18           HA       ASP  18 -19.311  -3.908   2.786
   97   1HB   ASP  18          2HB       ASP  18 -19.984  -1.821   1.620
   98   2HB   ASP  18          1HB       ASP  18 -20.054  -2.675   0.094
   99    H    LEU  19           H        LEU  19 -18.600  -6.012   2.680
  100    HA   LEU  19           HA       LEU  19 -18.705  -7.720   0.435
  101   1HB   LEU  19          2HB       LEU  19 -17.591  -7.941   2.824
  102   2HB   LEU  19          1HB       LEU  19 -19.171  -8.438   3.347
  103    HG   LEU  19           HG       LEU  19 -19.153 -10.344   1.736
  104   1HD1  LEU  19          1HD1      LEU  19 -16.289  -9.389   1.329
  105   2HD1  LEU  19          2HD1      LEU  19 -17.546  -9.293   0.112
  106   3HD1  LEU  19          3HD1      LEU  19 -16.976 -10.861   0.647
  107   1HD2  LEU  19          1HD2      LEU  19 -18.446 -10.588   4.088
  108   2HD2  LEU  19          2HD2      LEU  19 -16.798 -10.174   3.649
  109   3HD2  LEU  19          3HD2      LEU  19 -17.526 -11.660   3.054
  110    H    LYS  20           H        LYS  20 -20.383  -9.672   0.451
  111    HA   LYS  20           HA       LYS  20 -23.017  -8.468   0.301
  112   1HB   LYS  20          2HB       LYS  20 -23.754 -10.752  -0.316
  113   2HB   LYS  20          1HB       LYS  20 -22.302 -10.320  -1.195
  114   1HG   LYS  20          2HG       LYS  20 -20.929 -11.665   0.409
  115   2HG   LYS  20          1HG       LYS  20 -22.398 -12.132   1.257
  116   1HD   LYS  20          2HD       LYS  20 -23.303 -13.156  -0.805
  117   2HD   LYS  20          1HD       LYS  20 -21.842 -12.712  -1.672
  118   1HE   LYS  20          2HE       LYS  20 -20.490 -14.116  -0.122
  119   2HE   LYS  20          1HE       LYS  20 -21.954 -14.558   0.752
  120   1HZ   LYS  20          1HZ       LYS  20 -21.322 -16.230  -0.857
  121   2HZ   LYS  20          2HZ       LYS  20 -21.436 -15.095  -2.114
  122   3HZ   LYS  20          3HZ       LYS  20 -22.826 -15.547  -1.250
  123    H    ILE  21           H        ILE  21 -21.369 -10.749   2.443
  124    HA   ILE  21           HA       ILE  21 -22.997  -9.959   4.744
  125    HB   ILE  21           HB       ILE  21 -22.640 -12.811   3.720
  126   1HG1  ILE  21          2HG1      ILE  21 -25.190 -11.151   4.054
  127   2HG1  ILE  21          1HG1      ILE  21 -24.459 -11.594   2.525
  128   1HG2  ILE  21          1HG2      ILE  21 -23.950 -13.469   5.754
  129   2HG2  ILE  21          2HG2      ILE  21 -23.965 -11.784   6.262
  130   3HG2  ILE  21          3HG2      ILE  21 -22.450 -12.675   6.180
  131   1HD1  ILE  21          1HD1      ILE  21 -24.846 -13.984   2.979
  132   2HD1  ILE  21          2HD1      ILE  21 -26.344 -13.067   3.001
  133   3HD1  ILE  21          3HD1      ILE  21 -25.615 -13.584   4.508
  134    H    GLY  22           H        GLY  22 -21.273  -9.190   5.938
  135   1HA   GLY  22          2HA       GLY  22 -19.602  -9.808   7.568
  136   2HA   GLY  22          1HA       GLY  22 -19.008 -10.960   6.407
  137    H    TYR  23           H        TYR  23 -19.806  -7.625   6.082
  138    HA   TYR  23           HA       TYR  23 -17.960  -6.567   4.352
  139   1HB   TYR  23          2HB       TYR  23 -18.521  -5.010   6.872
  140   2HB   TYR  23          1HB       TYR  23 -18.386  -4.426   5.225
  141    HD1  TYR  23           1HD      TYR  23 -20.236  -6.472   3.851
  142    HD2  TYR  23           2HD      TYR  23 -20.627  -4.217   7.423
  143    HE1  TYR  23           1HE      TYR  23 -22.690  -6.623   3.682
  144    HE2  TYR  23           2HE      TYR  23 -23.078  -4.361   7.255
  145    HH   TYR  23           HH       TYR  23 -24.683  -6.412   5.787
  146    H    GLU  24           H        GLU  24 -15.879  -5.396   4.564
  147    HA   GLU  24           HA       GLU  24 -14.403  -5.890   7.010
  148   1HB   GLU  24          2HB       GLU  24 -12.671  -6.966   5.687
  149   2HB   GLU  24          1HB       GLU  24 -14.113  -7.952   5.815
  150   1HG   GLU  24          2HG       GLU  24 -14.725  -6.982   3.479
  151   2HG   GLU  24          1HG       GLU  24 -13.119  -6.264   3.472
  152    H    CYS  25           H        CYS  25 -12.190  -5.332   6.774
  153    HA   CYS  25           HA       CYS  25 -11.823  -2.649   5.779
  154   1HB   CYS  25          2HB       CYS  25 -11.707  -2.923   8.170
  155   2HB   CYS  25          1HB       CYS  25 -10.598  -4.255   7.964
  156    H    LEU  26           H        LEU  26 -10.908  -2.975   3.667
  157    HA   LEU  26           HA       LEU  26  -8.557  -4.762   3.429
  158   1HB   LEU  26          2HB       LEU  26  -9.796  -2.987   1.306
  159   2HB   LEU  26          1HB       LEU  26  -8.762  -4.350   1.107
  160    HG   LEU  26           HG       LEU  26 -11.593  -4.544   2.159
  161   1HD1  LEU  26          1HD1      LEU  26 -10.427  -5.234  -0.580
  162   2HD1  LEU  26          2HD1      LEU  26 -11.521  -3.905  -0.234
  163   3HD1  LEU  26          3HD1      LEU  26 -12.071  -5.559  -0.089
  164   1HD2  LEU  26          1HD2      LEU  26 -11.321  -6.968   1.832
  165   2HD2  LEU  26          2HD2      LEU  26 -10.159  -6.380   3.007
  166   3HD2  LEU  26          3HD2      LEU  26  -9.645  -6.744   1.366
  167    H    CYS  27           H        CYS  27  -7.105  -3.284   1.636
  168    HA   CYS  27           HA       CYS  27  -5.808  -1.360   3.352
  169   1HB   CYS  27          2HB       CYS  27  -5.303  -2.326   0.554
  170   2HB   CYS  27          1HB       CYS  27  -4.350  -1.058   1.237
  171    HA   PRO  28           HA       PRO  28  -7.540   2.320   1.618
  172   1HB   PRO  28          2HB       PRO  28  -5.357   4.030   2.232
  173   2HB   PRO  28          1HB       PRO  28  -6.685   3.653   3.278
  174   1HG   PRO  28          2HG       PRO  28  -3.986   2.880   3.597
  175   2HG   PRO  28          1HG       PRO  28  -5.364   2.434   4.610
  176   1HD   PRO  28          2HD       PRO  28  -3.959   0.881   2.549
  177   2HD   PRO  28          1HD       PRO  28  -4.982   0.346   3.899
  178    H    ASP  29           H        ASP  29  -4.073   2.529   1.138
  179    HA   ASP  29           HA       ASP  29  -4.408   3.291  -1.693
  180   1HB   ASP  29          2HB       ASP  29  -2.125   4.130  -1.434
  181   2HB   ASP  29          1HB       ASP  29  -3.098   4.718  -0.108
  182    H    GLY  30           H        GLY  30  -1.667   2.497  -2.286
  183   1HA   GLY  30          2HA       GLY  30  -2.100  -0.027  -3.402
  184   2HA   GLY  30          1HA       GLY  30  -0.603   0.848  -3.435
  185    H    PHE  31           H        PHE  31  -0.454   0.661  -0.324
  186    HA   PHE  31           HA       PHE  31   1.243  -1.551  -0.164
  187   1HB   PHE  31          2HB       PHE  31  -0.450  -0.192   1.959
  188   2HB   PHE  31          1HB       PHE  31   0.924  -1.218   2.303
  189    HD1  PHE  31           1HD      PHE  31   0.225   2.001   2.470
  190    HD2  PHE  31           2HD      PHE  31   2.855  -0.445   0.182
  191    HE1  PHE  31           1HE      PHE  31   1.701   3.914   2.087
  192    HE2  PHE  31           2HE      PHE  31   4.323   1.466  -0.186
  193    HZ   PHE  31           HZ       PHE  31   3.779   3.629   0.772
  194    H    GLN  32           H        GLN  32   1.059  -3.320   1.483
  195    HA   GLN  32           HA       GLN  32  -1.198  -5.061   0.708
  196   1HB   GLN  32          2HB       GLN  32   1.469  -5.609   2.067
  197   2HB   GLN  32          1HB       GLN  32   0.321  -6.830   1.583
  198   1HG   GLN  32          2HG       GLN  32   1.769  -4.895  -0.292
  199   2HG   GLN  32          1HG       GLN  32   2.160  -6.591  -0.086
  200   1HE2  GLN  32          1HE2      GLN  32   0.648  -8.188  -0.953
  201   2HE2  GLN  32          2HE2      GLN  32  -0.520  -7.747  -2.105
  202    H    LEU  33           H        LEU  33  -2.593  -5.924   2.231
  203    HA   LEU  33           HA       LEU  33  -2.706  -4.553   4.839
  204   1HB   LEU  33          2HB       LEU  33  -4.772  -5.197   3.355
  205   2HB   LEU  33          1HB       LEU  33  -4.487  -6.845   3.849
  206    HG   LEU  33           HG       LEU  33  -4.640  -6.022   6.284
  207   1HD1  LEU  33          1HD1      LEU  33  -5.808  -3.842   6.639
  208   2HD1  LEU  33          2HD1      LEU  33  -5.745  -3.533   4.917
  209   3HD1  LEU  33          3HD1      LEU  33  -4.264  -3.598   5.854
  210   1HD2  LEU  33          1HD2      LEU  33  -7.113  -5.918   6.298
  211   2HD2  LEU  33          2HD2      LEU  33  -6.540  -7.192   5.235
  212   3HD2  LEU  33          3HD2      LEU  33  -7.109  -5.669   4.564
  213    H    VAL  34           H        VAL  34  -0.565  -5.448   5.356
  214    HA   VAL  34           HA       VAL  34  -0.273  -8.302   5.854
  215    HB   VAL  34           HB       VAL  34   1.528  -5.956   6.596
  216   1HG1  VAL  34          1HG1      VAL  34   2.144  -8.945   6.479
  217   2HG1  VAL  34          2HG1      VAL  34   2.032  -7.995   7.951
  218   3HG1  VAL  34          3HG1      VAL  34   3.314  -7.677   6.799
  219   1HG2  VAL  34          1HG2      VAL  34   1.633  -7.860   4.215
  220   2HG2  VAL  34          2HG2      VAL  34   2.818  -6.617   4.579
  221   3HG2  VAL  34          3HG2      VAL  34   1.179  -6.166   4.153
  222    H    ALA  35           H        ALA  35  -0.156  -5.489   7.979
  223    HA   ALA  35           HA       ALA  35  -0.358  -7.064  10.339
  224   1HB   ALA  35          1HB       ALA  35   1.027  -5.090  10.287
  225   2HB   ALA  35          2HB       ALA  35  -0.243  -4.821  11.469
  226   3HB   ALA  35          3HB       ALA  35  -0.341  -4.080   9.877
  227    H    GLN  36           H        GLN  36  -2.521  -7.798   9.161
  228    HA   GLN  36           HA       GLN  36  -4.755  -8.213   9.370
  229   1HB   GLN  36          2HB       GLN  36  -4.540  -6.561  11.920
  230   2HB   GLN  36          1HB       GLN  36  -5.885  -7.587  11.477
  231   1HG   GLN  36          2HG       GLN  36  -4.404  -9.583  11.460
  232   2HG   GLN  36          1HG       GLN  36  -3.019  -8.576  11.869
  233   1HE2  GLN  36          1HE2      GLN  36  -2.945  -7.624  14.021
  234   2HE2  GLN  36          2HE2      GLN  36  -3.925  -8.216  15.276
  235    H    ARG  37           H        ARG  37  -4.731  -4.937  10.725
  236    HA   ARG  37           HA       ARG  37  -6.698  -4.102   8.629
  237   1HB   ARG  37          2HB       ARG  37  -6.477  -3.175  11.520
  238   2HB   ARG  37          1HB       ARG  37  -7.696  -2.658  10.372
  239   1HG   ARG  37          2HG       ARG  37  -7.340  -5.520  11.411
  240   2HG   ARG  37          1HG       ARG  37  -8.605  -4.411  11.893
  241   1HD   ARG  37          2HD       ARG  37  -9.447  -4.321   9.599
  242   2HD   ARG  37          1HD       ARG  37  -8.188  -5.432   9.057
  243    HE   ARG  37           HE       ARG  37  -9.787  -6.511  11.225
  244   1HH1  ARG  37          2HH1      ARG  37  -9.531  -6.029   7.791
  245   2HH1  ARG  37          1HH1      ARG  37 -10.537  -7.384   7.415
  246   1HH2  ARG  37          1HH2      ARG  37 -11.070  -8.232  10.756
  247   2HH2  ARG  37          2HH2      ARG  37 -11.421  -8.648   9.111
  248    H    ARG  38           H        ARG  38  -3.653  -3.699   9.770
  249    HA   ARG  38           HA       ARG  38  -3.381  -0.871   8.912
  250   1HB   ARG  38          2HB       ARG  38  -1.640  -2.741  10.560
  251   2HB   ARG  38          1HB       ARG  38  -1.178  -1.116  10.121
  252   1HG   ARG  38          2HG       ARG  38  -3.215  -0.274  11.348
  253   2HG   ARG  38          1HG       ARG  38  -3.644  -1.929  11.748
  254   1HD   ARG  38          2HD       ARG  38  -1.532  -2.202  13.009
  255   2HD   ARG  38          1HD       ARG  38  -1.058  -0.554  12.622
  256    HE   ARG  38           HE       ARG  38  -3.063  -1.381  14.585
  257   1HH1  ARG  38          2HH1      ARG  38  -1.924   1.178  12.538
  258   2HH1  ARG  38          1HH1      ARG  38  -2.643   2.420  13.505
  259   1HH2  ARG  38          1HH2      ARG  38  -3.983   0.174  15.816
  260   2HH2  ARG  38          2HH2      ARG  38  -3.829   1.844  15.388
  261    H    CYS  39           H        CYS  39  -2.890  -0.742   6.868
  262    HA   CYS  39           HA       CYS  39  -1.523  -2.946   5.462
  263   1HB   CYS  39          2HB       CYS  39  -3.629  -1.967   4.630
  264   2HB   CYS  39          1HB       CYS  39  -2.821  -0.441   4.430
  265    H    GLU  40           H        GLU  40   0.511  -2.931   4.883
  266    HA   GLU  40           HA       GLU  40   1.962  -0.400   4.367
  267   1HB   GLU  40          2HB       GLU  40   2.424  -1.051   6.775
  268   2HB   GLU  40          1HB       GLU  40   2.997  -2.605   6.216
  269   1HG   GLU  40          2HG       GLU  40   4.848  -1.587   4.980
  270   2HG   GLU  40          1HG       GLU  40   4.272   0.025   5.295
  271    H    ASP  41           H        ASP  41   3.972  -0.742   3.283
  272    HA   ASP  41           HA       ASP  41   3.744  -2.660   1.119
  273   1HB   ASP  41          2HB       ASP  41   4.827  -0.374   0.809
  274   2HB   ASP  41          1HB       ASP  41   6.067  -0.850   1.916
  275    H    ILE  42           H        ILE  42   5.569  -4.071   0.575
  276    HA   ILE  42           HA       ILE  42   6.063  -6.006   2.535
  277    HB   ILE  42           HB       ILE  42   7.663  -5.380   0.007
  278   1HG1  ILE  42          2HG1      ILE  42   5.293  -5.709  -0.537
  279   2HG1  ILE  42          1HG1      ILE  42   6.233  -7.054  -1.132
  280   1HG2  ILE  42          1HG2      ILE  42   7.538  -8.002   1.557
  281   2HG2  ILE  42          2HG2      ILE  42   8.930  -6.946   1.433
  282   3HG2  ILE  42          3HG2      ILE  42   8.335  -7.773   0.010
  283   1HD1  ILE  42          1HD1      ILE  42   4.569  -7.077   1.429
  284   2HD1  ILE  42          2HD1      ILE  42   5.519  -8.428   0.831
  285   3HD1  ILE  42          3HD1      ILE  42   4.144  -7.847  -0.087
  286    H    ASP  43           H        ASP  43   8.259  -6.571   3.534
  287    HA   ASP  43           HA       ASP  43   9.663  -4.053   4.299
  288   1HB   ASP  43          2HB       ASP  43   8.632  -5.563   6.053
  289   2HB   ASP  43          1HB       ASP  43   9.822  -6.779   5.635
  290    H    GLU  44           H        GLU  44  11.403  -3.642   3.241
  291    HA   GLU  44           HA       GLU  44  12.951  -5.623   1.778
  292   1HB   GLU  44          2HB       GLU  44  13.541  -2.679   2.151
  293   2HB   GLU  44          1HB       GLU  44  14.131  -3.749   0.900
  294   1HG   GLU  44          2HG       GLU  44  12.514  -2.334   0.036
  295   2HG   GLU  44          1HG       GLU  44  11.867  -3.964  -0.047
  296    H    CYS  45           H        CYS  45  13.126  -3.988   4.814
  297    HA   CYS  45           HA       CYS  45  15.919  -4.059   5.180
  298   1HB   CYS  45          2HB       CYS  45  13.684  -3.917   7.241
  299   2HB   CYS  45          1HB       CYS  45  15.357  -3.665   7.556
  300    H    GLN  46           H        GLN  46  13.496  -5.804   6.890
  301    HA   GLN  46           HA       GLN  46  14.948  -7.724   8.214
  302   1HB   GLN  46          2HB       GLN  46  12.206  -8.016   6.913
  303   2HB   GLN  46          1HB       GLN  46  12.827  -9.073   8.158
  304   1HG   GLN  46          2HG       GLN  46  12.384  -6.070   8.487
  305   2HG   GLN  46          1HG       GLN  46  11.331  -7.319   9.126
  306   1HE2  GLN  46          1HE2      GLN  46  12.446  -8.898  10.703
  307   2HE2  GLN  46          2HE2      GLN  46  13.654  -8.263  11.712
  308    H    ASP  47           H        ASP  47  13.671  -7.911   4.959
  309    HA   ASP  47           HA       ASP  47  14.803 -10.465   4.399
  310   1HB   ASP  47          2HB       ASP  47  12.699  -9.738   3.308
  311   2HB   ASP  47          1HB       ASP  47  13.528  -8.373   2.583
  312    HA   PRO  48           HA       PRO  48  18.760  -8.700   3.235
  313   1HB   PRO  48          2HB       PRO  48  19.810 -10.766   1.756
  314   2HB   PRO  48          1HB       PRO  48  19.671 -10.850   3.494
  315   1HG   PRO  48          2HG       PRO  48  17.836 -11.996   1.430
  316   2HG   PRO  48          1HG       PRO  48  18.455 -12.737   2.916
  317   1HD   PRO  48          2HD       PRO  48  15.979 -11.689   2.752
  318   2HD   PRO  48          1HD       PRO  48  16.923 -11.657   4.250
  319    H    ASP  49           H        ASP  49  17.797  -7.070   2.027
  320    HA   ASP  49           HA       ASP  49  18.003  -7.387  -0.921
  321   1HB   ASP  49          2HB       ASP  49  15.623  -7.573  -0.357
  322   2HB   ASP  49          1HB       ASP  49  15.700  -6.115   0.612
  323    H    THR  50           H        THR  50  17.610  -5.049   1.694
  324    HA   THR  50           HA       THR  50  18.712  -2.850   0.170
  325    HB   THR  50           HB       THR  50  18.394  -1.675   2.448
  326    HG1  THR  50           1HG      THR  50  17.392  -3.071   4.005
  327   1HG2  THR  50          1HG2      THR  50  15.929  -1.992   2.559
  328   2HG2  THR  50          2HG2      THR  50  16.067  -3.495   1.661
  329   3HG2  THR  50          3HG2      THR  50  16.392  -1.964   0.865
  330    H    CYS  51           H        CYS  51  19.914  -2.903   3.317
  331    HA   CYS  51           HA       CYS  51  22.700  -3.223   2.370
  332   1HB   CYS  51          2HB       CYS  51  21.376  -1.877   4.700
  333   2HB   CYS  51          1HB       CYS  51  23.092  -2.144   4.669
  334    H    SER  52           H        SER  52  24.243  -4.270   3.785
  335    HA   SER  52           HA       SER  52  23.508  -6.925   4.432
  336   1HB   SER  52          2HB       SER  52  25.858  -6.262   3.900
  337   2HB   SER  52          1HB       SER  52  25.938  -5.353   5.417
  338    HG   SER  52           HG       SER  52  24.981  -7.907   5.700
  339    H    GLN  53           H        GLN  53  23.744  -4.081   6.468
  340    HA   GLN  53           HA       GLN  53  22.687  -5.699   8.756
  341   1HB   GLN  53          2HB       GLN  53  24.586  -3.343   8.793
  342   2HB   GLN  53          1HB       GLN  53  23.952  -4.127  10.231
  343   1HG   GLN  53          2HG       GLN  53  25.611  -5.494   8.061
  344   2HG   GLN  53          1HG       GLN  53  26.230  -5.013   9.627
  345   1HE2  GLN  53          1HE2      GLN  53  25.210  -7.681   8.007
  346   2HE2  GLN  53          2HE2      GLN  53  24.622  -8.607   9.303
  347    H    LEU  54           H        LEU  54  22.954  -2.187   9.092
  348    HA   LEU  54           HA       LEU  54  20.217  -2.120   9.807
  349   1HB   LEU  54          2HB       LEU  54  22.089   0.141   9.178
  350   2HB   LEU  54          1HB       LEU  54  20.478   0.330   9.815
  351    HG   LEU  54           HG       LEU  54  22.889  -0.794  11.210
  352   1HD1  LEU  54          1HD1      LEU  54  20.792   1.341  11.736
  353   2HD1  LEU  54          2HD1      LEU  54  22.402   1.672  11.133
  354   3HD1  LEU  54          3HD1      LEU  54  22.184   1.031  12.766
  355   1HD2  LEU  54          1HD2      LEU  54  20.962  -2.293  11.675
  356   2HD2  LEU  54          2HD2      LEU  54  20.000  -0.876  12.108
  357   3HD2  LEU  54          3HD2      LEU  54  21.413  -1.324  13.072
  358    H    CYS  55           H        CYS  55  18.677  -0.996   9.270
  359    HA   CYS  55           HA       CYS  55  18.225   0.278   6.689
  360   1HB   CYS  55          2HB       CYS  55  18.160  -2.157   6.110
  361   2HB   CYS  55          1HB       CYS  55  16.954  -2.394   7.322
  362    H    VAL  56           H        VAL  56  15.634   0.563   6.550
  363    HA   VAL  56           HA       VAL  56  14.253   0.727   9.108
  364    HB   VAL  56           HB       VAL  56  15.721   2.695   9.333
  365   1HG1  VAL  56          1HG1      VAL  56  14.648   3.727   6.667
  366   2HG1  VAL  56          2HG1      VAL  56  16.271   3.135   6.971
  367   3HG1  VAL  56          3HG1      VAL  56  15.699   4.590   7.763
  368   1HG2  VAL  56          1HG2      VAL  56  12.883   3.544   8.630
  369   2HG2  VAL  56          2HG2      VAL  56  14.015   4.483   9.583
  370   3HG2  VAL  56          3HG2      VAL  56  13.431   2.943  10.185
  371    H    ASN  57           H        ASN  57  12.698  -0.422   8.158
  372    HA   ASN  57           HA       ASN  57  11.419   0.322   5.641
  373   1HB   ASN  57          2HB       ASN  57  11.810  -2.055   6.198
  374   2HB   ASN  57          1HB       ASN  57  10.774  -1.863   7.609
  375   1HD2  ASN  57          1HD2      ASN  57   8.886  -2.980   7.183
  376   2HD2  ASN  57          2HD2      ASN  57   7.992  -2.848   5.746
  377    H    LEU  58           H        LEU  58   9.282   0.450   5.324
  378    HA   LEU  58           HA       LEU  58   7.075   0.857   6.996
  379   1HB   LEU  58          2HB       LEU  58   6.788   3.285   7.097
  380   2HB   LEU  58          1HB       LEU  58   8.274   2.876   7.878
  381    HG   LEU  58           HG       LEU  58   8.211   3.829   4.994
  382   1HD1  LEU  58          1HD1      LEU  58   8.859   6.064   5.953
  383   2HD1  LEU  58          2HD1      LEU  58   8.709   5.419   7.580
  384   3HD1  LEU  58          3HD1      LEU  58   7.287   5.587   6.566
  385   1HD2  LEU  58          1HD2      LEU  58  10.409   3.716   7.078
  386   2HD2  LEU  58          2HD2      LEU  58  10.564   4.373   5.459
  387   3HD2  LEU  58          3HD2      LEU  58  10.264   2.667   5.674
  388    H    GLU  59           H        GLU  59   5.895   2.953   5.610
  389    HA   GLU  59           HA       GLU  59   5.062   1.631   3.185
  390   1HB   GLU  59          2HB       GLU  59   4.251   4.126   4.652
  391   2HB   GLU  59          1HB       GLU  59   3.672   3.975   3.044
  392   1HG   GLU  59          2HG       GLU  59   1.893   3.047   4.354
  393   2HG   GLU  59          1HG       GLU  59   2.760   1.641   3.834
  394    H    GLY  60           H        GLY  60   6.495   1.503   1.782
  395   1HA   GLY  60          2HA       GLY  60   7.790   1.967  -0.040
  396   2HA   GLY  60          1HA       GLY  60   6.735   3.350  -0.244
  397    H    GLY  61           H        GLY  61   7.897   3.953   2.628
  398   1HA   GLY  61          2HA       GLY  61   9.967   5.818   1.700
  399   2HA   GLY  61          1HA       GLY  61   9.264   5.736   3.312
  400    H    TYR  62           H        TYR  62  10.036   2.731   2.646
  401    HA   TYR  62           HA       TYR  62  11.995   2.359   4.543
  402   1HB   TYR  62          2HB       TYR  62  12.483   0.192   3.520
  403   2HB   TYR  62          1HB       TYR  62  10.765   0.522   3.380
  404    HD1  TYR  62           1HD      TYR  62  13.894   0.111   1.599
  405    HD2  TYR  62           2HD      TYR  62   9.816   1.250   1.141
  406    HE1  TYR  62           1HE      TYR  62  14.119  -0.114  -0.813
  407    HE2  TYR  62           2HE      TYR  62  10.039   1.025  -1.285
  408    HH   TYR  62           HH       TYR  62  12.797   0.996  -2.899
  409    H    LYS  63           H        LYS  63  14.207   2.514   4.763
  410    HA   LYS  63           HA       LYS  63  15.780   3.173   2.354
  411   1HB   LYS  63          2HB       LYS  63  16.104   4.385   5.090
  412   2HB   LYS  63          1HB       LYS  63  17.027   4.681   3.673
  413   1HG   LYS  63          2HG       LYS  63  15.048   5.637   2.501
  414   2HG   LYS  63          1HG       LYS  63  14.086   5.313   3.935
  415   1HD   LYS  63          2HD       LYS  63  15.489   6.839   5.276
  416   2HD   LYS  63          1HD       LYS  63  16.492   7.171   3.875
  417   1HE   LYS  63          2HE       LYS  63  14.801   8.962   4.186
  418   2HE   LYS  63          1HE       LYS  63  14.504   8.106   2.680
  419   1HZ   LYS  63          1HZ       LYS  63  12.638   7.149   3.480
  420   2HZ   LYS  63          2HZ       LYS  63  12.613   8.568   4.413
  421   3HZ   LYS  63          3HZ       LYS  63  13.181   7.117   5.086
  422    H    CYS  64           H        CYS  64  17.814   2.654   2.460
  423    HA   CYS  64           HA       CYS  64  18.570   0.250   4.050
  424   1HB   CYS  64          2HB       CYS  64  18.763   0.434   1.701
  425   2HB   CYS  64          1HB       CYS  64  19.896   1.756   1.801
  426    H    GLN  65           H        GLN  65  20.548   0.271   4.989
  427    HA   GLN  65           HA       GLN  65  21.918   2.815   5.758
  428   1HB   GLN  65          2HB       GLN  65  20.686   1.208   7.995
  429   2HB   GLN  65          1HB       GLN  65  21.565   2.689   8.153
  430   1HG   GLN  65          2HG       GLN  65  19.827   3.950   6.934
  431   2HG   GLN  65          1HG       GLN  65  18.855   2.485   6.805
  432   1HE2  GLN  65          1HE2      GLN  65  18.810   1.307   9.177
  433   2HE2  GLN  65          2HE2      GLN  65  18.310   2.353  10.417
  434    H    CYS  66           H        CYS  66  23.338   2.119   7.986
  435    HA   CYS  66           HA       CYS  66  24.838  -0.310   7.238
  436   1HB   CYS  66          2HB       CYS  66  26.032   2.370   7.897
  437   2HB   CYS  66          1HB       CYS  66  26.835   0.940   7.665
  438    H    GLU  67           H        GLU  67  26.354  -1.011   8.772
  439    HA   GLU  67           HA       GLU  67  25.316  -0.939  11.530
  440   1HB   GLU  67          2HB       GLU  67  25.997  -3.059  10.356
  441   2HB   GLU  67          1HB       GLU  67  27.644  -2.488  10.289
  442   1HG   GLU  67          2HG       GLU  67  27.695  -2.480  12.831
  443   2HG   GLU  67          1HG       GLU  67  26.044  -3.075  12.825
  444    H    GLU  68           H        GLU  68  26.158   1.492  10.855
  445    HA   GLU  68           HA       GLU  68  27.447   3.282  11.505
  446   1HB   GLU  68          2HB       GLU  68  28.511   1.267  13.561
  447   2HB   GLU  68          1HB       GLU  68  28.847   2.970  13.595
  448   1HG   GLU  68          2HG       GLU  68  26.973   2.418  15.129
  449   2HG   GLU  68          1HG       GLU  68  26.379   3.430  13.829
  450    H    GLY  69           H        GLY  69  29.861   0.834  12.214
  451   1HA   GLY  69          2HA       GLY  69  32.048   2.117  11.074
  452   2HA   GLY  69          1HA       GLY  69  31.972   0.387  11.377
  453    H    PHE  70           H        PHE  70  29.553   0.305   9.550
  454    HA   PHE  70           HA       PHE  70  30.978  -0.331   7.182
  455   1HB   PHE  70          2HB       PHE  70  28.099  -0.346   7.961
  456   2HB   PHE  70          1HB       PHE  70  28.565  -0.804   6.338
  457    HD1  PHE  70           1HD      PHE  70  30.729  -1.808   9.157
  458    HD2  PHE  70           2HD      PHE  70  27.403  -2.921   6.742
  459    HE1  PHE  70           1HE      PHE  70  30.923  -4.110   9.962
  460    HE2  PHE  70           2HE      PHE  70  27.609  -5.230   7.549
  461    HZ   PHE  70           HZ       PHE  70  29.363  -5.830   9.158
  462    H    GLN  71           H        GLN  71  30.454   0.506   5.067
  463    HA   GLN  71           HA       GLN  71  29.400   3.243   4.971
  464   1HB   GLN  71          2HB       GLN  71  32.042   2.146   4.085
  465   2HB   GLN  71          1HB       GLN  71  31.333   3.366   3.086
  466   1HG   GLN  71          2HG       GLN  71  31.825   3.657   6.094
  467   2HG   GLN  71          1HG       GLN  71  32.838   4.365   4.835
  468   1HE2  GLN  71          1HE2      GLN  71  31.511   6.029   6.693
  469   2HE2  GLN  71          2HE2      GLN  71  30.301   6.911   5.892
  470    H    LEU  72           H        LEU  72  29.317   3.971   2.713
  471    HA   LEU  72           HA       LEU  72  27.427   2.171   1.358
  472   1HB   LEU  72          2HB       LEU  72  27.060   4.647   1.455
  473   2HB   LEU  72          1HB       LEU  72  28.484   4.881   0.460
  474    HG   LEU  72           HG       LEU  72  27.397   3.409  -1.312
  475   1HD1  LEU  72          1HD1      LEU  72  25.794   2.172   0.115
  476   2HD1  LEU  72          2HD1      LEU  72  24.960   3.011  -1.176
  477   3HD1  LEU  72          3HD1      LEU  72  24.933   3.663   0.452
  478   1HD2  LEU  72          1HD2      LEU  72  27.299   5.878  -1.461
  479   2HD2  LEU  72          2HD2      LEU  72  25.838   5.891  -0.481
  480   3HD2  LEU  72          3HD2      LEU  72  25.817   5.165  -2.083
  481    H    ASP  73           H        ASP  73  28.400   0.509   0.469
  482    HA   ASP  73           HA       ASP  73  30.962   0.597  -0.892
  483   1HB   ASP  73          2HB       ASP  73  30.028  -1.440   0.269
  484   2HB   ASP  73          1HB       ASP  73  28.804  -1.572  -0.979
  485    HA   PRO  74           HA       PRO  74  29.072   2.027  -4.713
  486   1HB   PRO  74          2HB       PRO  74  31.199   2.038  -6.322
  487   2HB   PRO  74          1HB       PRO  74  31.124   3.121  -4.952
  488   1HG   PRO  74          2HG       PRO  74  32.520   0.478  -5.135
  489   2HG   PRO  74          1HG       PRO  74  33.127   2.030  -4.528
  490   1HD   PRO  74          2HD       PRO  74  32.177   0.076  -2.889
  491   2HD   PRO  74          1HD       PRO  74  32.071   1.805  -2.495
  492    H    HIS  75           H        HIS  75  28.730   1.357  -6.883
  493    HA   HIS  75           HA       HIS  75  28.036  -0.149  -8.520
  494   1HB   HIS  75          2HB       HIS  75  30.246  -1.929  -7.379
  495   2HB   HIS  75          1HB       HIS  75  29.476  -2.107  -8.947
  496    HD1  HIS  75           1HD      HIS  75  31.794   0.163  -7.153
  497    HD2  HIS  75           2HD      HIS  75  30.354  -0.305 -10.945
  498    HE1  HIS  75           1HE      HIS  75  33.138   1.649  -8.595
  499    H    THR  76           H        THR  76  27.577  -0.604  -5.412
  500    HA   THR  76           HA       THR  76  25.684  -2.875  -5.723
  501    HB   THR  76           HB       THR  76  26.368  -3.637  -3.388
  502    HG1  THR  76           1HG      THR  76  28.380  -1.702  -3.838
  503   1HG2  THR  76          1HG2      THR  76  28.618  -4.573  -3.975
  504   2HG2  THR  76          2HG2      THR  76  28.817  -3.386  -5.252
  505   3HG2  THR  76          3HG2      THR  76  27.625  -4.663  -5.421
  506    H    LYS  77           H        LYS  77  26.811  -0.171  -3.973
  507    HA   LYS  77           HA       LYS  77  25.798   1.563  -2.780
  508   1HB   LYS  77          2HB       LYS  77  23.359   0.524  -4.027
  509   2HB   LYS  77          1HB       LYS  77  23.486   2.061  -3.212
  510   1HG   LYS  77          2HG       LYS  77  25.264   2.758  -4.845
  511   2HG   LYS  77          1HG       LYS  77  25.128   1.221  -5.663
  512   1HD   LYS  77          2HD       LYS  77  23.955   2.882  -6.968
  513   2HD   LYS  77          1HD       LYS  77  22.784   1.768  -6.310
  514   1HE   LYS  77          2HE       LYS  77  23.388   4.516  -5.134
  515   2HE   LYS  77          1HE       LYS  77  22.031   4.157  -6.185
  516   1HZ   LYS  77          1HZ       LYS  77  20.962   3.799  -4.299
  517   2HZ   LYS  77          2HZ       LYS  77  22.383   3.623  -3.389
  518   3HZ   LYS  77          3HZ       LYS  77  21.765   2.303  -4.263
  519    H    ALA  78           H        ALA  78  25.876  -1.375  -1.932
  520    HA   ALA  78           HA       ALA  78  23.852  -1.417   0.253
  521   1HB   ALA  78          1HB       ALA  78  24.081  -3.444  -1.182
  522   2HB   ALA  78          2HB       ALA  78  24.544  -3.798   0.476
  523   3HB   ALA  78          3HB       ALA  78  25.780  -3.557  -0.751
  524    H    CYS  79           H        CYS  79  24.648  -1.963   2.429
  525    HA   CYS  79           HA       CYS  79  27.218  -0.612   2.954
  526   1HB   CYS  79          2HB       CYS  79  25.028  -1.429   4.801
  527   2HB   CYS  79          1HB       CYS  79  26.513  -0.725   5.336
  528    H    LYS  80           H        LYS  80  28.869  -1.327   3.961
  529    HA   LYS  80           HA       LYS  80  29.006  -3.864   5.369
  530   1HB   LYS  80          2HB       LYS  80  30.692  -4.784   4.035
  531   2HB   LYS  80          1HB       LYS  80  29.153  -4.791   3.210
  532   1HG   LYS  80          2HG       LYS  80  30.658  -4.203   1.463
  533   2HG   LYS  80          1HG       LYS  80  29.900  -2.711   1.934
  534   1HD   LYS  80          2HD       LYS  80  32.290  -2.389   1.507
  535   2HD   LYS  80          1HD       LYS  80  31.949  -2.011   3.164
  536   1HE   LYS  80          2HE       LYS  80  33.999  -3.398   2.942
  537   2HE   LYS  80          1HE       LYS  80  32.784  -4.308   3.823
  538   1HZ   LYS  80          1HZ       LYS  80  32.864  -4.548   0.911
  539   2HZ   LYS  80          2HZ       LYS  80  32.452  -5.704   2.084
  540   3HZ   LYS  80          3HZ       LYS  80  34.084  -5.316   1.811
  541    H    ALA  81           H        ALA  81  31.177  -4.186   6.307
  542    HA   ALA  81           HA       ALA  81  32.266  -2.126   7.730
  543   1HB   ALA  81          1HB       ALA  81  33.801  -4.457   6.552
  544   2HB   ALA  81          2HB       ALA  81  32.893  -4.466   8.057
  545   3HB   ALA  81          3HB       ALA  81  34.337  -3.476   7.908
  546    H    VAL  82           H        VAL  82  33.065  -0.199   7.228
  547    HA   VAL  82           HA       VAL  82  33.854   0.732   4.764
  548    HB   VAL  82           HB       VAL  82  33.453   2.172   6.734
  549   1HG1  VAL  82          1HG1      VAL  82  34.635   0.781   8.459
  550   2HG1  VAL  82          2HG1      VAL  82  35.191   2.443   8.485
  551   3HG1  VAL  82          3HG1      VAL  82  36.172   1.193   7.738
  552   1HG2  VAL  82          1HG2      VAL  82  36.236   2.600   5.561
  553   2HG2  VAL  82          2HG2      VAL  82  35.273   3.818   6.377
  554   3HG2  VAL  82          3HG2      VAL  82  34.727   3.146   4.851
  Start of MODEL    7
    1    H    GLY   1           H        GLY   1 -22.774  -5.867   1.242
    2   1HA   GLY   1          2HA       GLY   1 -24.366  -6.274  -0.937
    3   2HA   GLY   1          1HA       GLY   1 -25.461  -6.652   0.393
    4    H    THR   2           H        THR   2 -25.397  -4.933   2.190
    5    HA   THR   2           HA       THR   2 -26.397  -2.527   1.224
    6    HB   THR   2           HB       THR   2 -26.973  -3.313   3.439
    7    HG1  THR   2           1HG      THR   2 -26.796  -1.017   2.895
    8   1HG2  THR   2          1HG2      THR   2 -25.319  -3.139   5.290
    9   2HG2  THR   2          2HG2      THR   2 -24.102  -2.543   4.168
   10   3HG2  THR   2          3HG2      THR   2 -24.656  -4.209   4.058
   11    H    ASN   3           H        ASN   3 -25.652  -0.366   1.856
   12    HA   ASN   3           HA       ASN   3 -22.842   0.049   0.995
   13   1HB   ASN   3          2HB       ASN   3 -24.774   1.143  -0.228
   14   2HB   ASN   3          1HB       ASN   3 -25.168   2.018   1.240
   15   1HD2  ASN   3          1HD2      ASN   3 -24.695   3.716  -0.699
   16   2HD2  ASN   3          2HD2      ASN   3 -23.131   4.377  -0.663
   17    H    GLU   4           H        GLU   4 -22.605  -0.916   3.257
   18    HA   GLU   4           HA       GLU   4 -23.032   0.776   5.558
   19   1HB   GLU   4          2HB       GLU   4 -21.421  -0.972   6.597
   20   2HB   GLU   4          1HB       GLU   4 -22.943  -1.570   5.980
   21   1HG   GLU   4          2HG       GLU   4 -20.934  -2.934   5.378
   22   2HG   GLU   4          1HG       GLU   4 -21.877  -2.464   3.988
   23    H    CYS   5           H        CYS   5 -21.076   1.228   3.038
   24    HA   CYS   5           HA       CYS   5 -18.592   1.892   4.226
   25   1HB   CYS   5          2HB       CYS   5 -19.283   1.322   1.765
   26   2HB   CYS   5          1HB       CYS   5 -19.643   3.012   1.640
   27    H    LEU   6           H        LEU   6 -21.568   3.407   3.531
   28    HA   LEU   6           HA       LEU   6 -21.155   6.121   3.601
   29   1HB   LEU   6          2HB       LEU   6 -23.426   4.550   4.853
   30   2HB   LEU   6          1HB       LEU   6 -23.478   6.256   4.481
   31    HG   LEU   6           HG       LEU   6 -23.132   4.024   2.416
   32   1HD1  LEU   6          1HD1      LEU   6 -25.386   4.127   3.400
   33   2HD1  LEU   6          2HD1      LEU   6 -25.410   4.671   1.730
   34   3HD1  LEU   6          3HD1      LEU   6 -25.482   5.845   3.037
   35   1HD2  LEU   6          1HD2      LEU   6 -22.010   6.184   1.718
   36   2HD2  LEU   6          2HD2      LEU   6 -23.509   7.041   2.031
   37   3HD2  LEU   6          3HD2      LEU   6 -23.423   5.856   0.742
   38    H    ASP   7           H        ASP   7 -21.602   3.990   6.349
   39    HA   ASP   7           HA       ASP   7 -20.948   6.148   8.326
   40   1HB   ASP   7          2HB       ASP   7 -22.959   4.534   8.622
   41   2HB   ASP   7          1HB       ASP   7 -21.769   3.247   8.740
   42    H    ASN   8           H        ASN   8 -19.730   4.408  10.152
   43    HA   ASN   8           HA       ASN   8 -17.042   4.533   9.569
   44   1HB   ASN   8          2HB       ASN   8 -18.518   2.592  11.182
   45   2HB   ASN   8          1HB       ASN   8 -16.787   2.800  11.335
   46   1HD2  ASN   8          1HD2      ASN   8 -16.018   4.829  12.272
   47   2HD2  ASN   8          2HD2      ASN   8 -17.056   5.852  13.142
   48    H    ASN   9           H        ASN   9 -16.002   3.611   7.917
   49    HA   ASN   9           HA       ASN   9 -16.818   1.920   5.957
   50   1HB   ASN   9          2HB       ASN   9 -14.673   3.168   6.064
   51   2HB   ASN   9          1HB       ASN   9 -14.049   1.965   7.183
   52   1HD2  ASN   9          1HD2      ASN   9 -13.779  -0.269   6.348
   53   2HD2  ASN   9          2HD2      ASN   9 -13.524  -0.501   4.694
   54    H    GLY  10           H        GLY  10 -18.191   0.309   6.829
   55   1HA   GLY  10          2HA       GLY  10 -18.755  -1.831   7.485
   56   2HA   GLY  10          1HA       GLY  10 -17.124  -2.262   6.997
   57    H    GLY  11           H        GLY  11 -17.074   0.117   9.309
   58   1HA   GLY  11          2HA       GLY  11 -17.523  -0.436  11.801
   59   2HA   GLY  11          1HA       GLY  11 -16.381  -1.753  11.515
   60    H    CYS  12           H        CYS  12 -14.719  -0.302   9.687
   61    HA   CYS  12           HA       CYS  12 -13.196   1.369  11.587
   62   1HB   CYS  12          2HB       CYS  12 -11.362   0.884  10.159
   63   2HB   CYS  12          1HB       CYS  12 -12.221  -0.613  10.411
   64    H    SER  13           H        SER  13 -11.921   2.338   8.908
   65    HA   SER  13           HA       SER  13 -13.848   4.107   7.693
   66   1HB   SER  13          2HB       SER  13 -12.763   6.244   8.536
   67   2HB   SER  13          1HB       SER  13 -13.436   5.309   9.880
   68    HG   SER  13           HG       SER  13 -10.763   5.204   8.926
   69    H    HIS  14           H        HIS  14 -12.058   2.117   6.921
   70    HA   HIS  14           HA       HIS  14 -10.011   3.535   5.305
   71   1HB   HIS  14          2HB       HIS  14 -10.202   0.672   6.259
   72   2HB   HIS  14          1HB       HIS  14  -8.912   1.331   5.288
   73    HD1  HIS  14           1HD      HIS  14  -9.575   3.912   7.508
   74    HD2  HIS  14           2HD      HIS  14  -7.735   0.305   7.987
   75    HE1  HIS  14           1HE      HIS  14  -8.209   4.100   9.559
   76    H    VAL  15           H        VAL  15 -10.477   0.375   4.306
   77    HA   VAL  15           HA       VAL  15 -11.946   1.233   1.852
   78    HB   VAL  15           HB       VAL  15 -10.100  -1.127   2.319
   79   1HG1  VAL  15          1HG1      VAL  15 -11.846  -1.692   0.619
   80   2HG1  VAL  15          2HG1      VAL  15 -10.283  -1.521  -0.143
   81   3HG1  VAL  15          3HG1      VAL  15 -11.468  -0.229  -0.271
   82   1HG2  VAL  15          1HG2      VAL  15  -9.730   1.402   0.691
   83   2HG2  VAL  15          2HG2      VAL  15  -8.606   0.051   0.764
   84   3HG2  VAL  15          3HG2      VAL  15  -8.920   1.015   2.204
   85    H    CYS  16           H        CYS  16 -14.043   0.737   1.927
   86    HA   CYS  16           HA       CYS  16 -15.023  -1.522   3.487
   87   1HB   CYS  16          2HB       CYS  16 -17.195  -0.771   2.656
   88   2HB   CYS  16          1HB       CYS  16 -16.329   0.554   3.349
   89    H    ASN  17           H        ASN  17 -13.809  -3.184   2.425
   90    HA   ASN  17           HA       ASN  17 -14.442  -3.733  -0.427
   91   1HB   ASN  17          2HB       ASN  17 -12.151  -3.875   0.137
   92   2HB   ASN  17          1HB       ASN  17 -12.406  -4.726   1.621
   93   1HD2  ASN  17          1HD2      ASN  17 -11.976  -6.943   1.374
   94   2HD2  ASN  17          2HD2      ASN  17 -12.070  -7.813  -0.073
   95    H    ASP  18           H        ASP  18 -16.414  -3.810   0.136
   96    HA   ASP  18           HA       ASP  18 -17.869  -5.357   1.948
   97   1HB   ASP  18          2HB       ASP  18 -18.640  -3.385   0.483
   98   2HB   ASP  18          1HB       ASP  18 -18.837  -4.543  -0.814
   99    H    LEU  19           H        LEU  19 -17.185  -7.280   2.145
  100    HA   LEU  19           HA       LEU  19 -16.884  -9.358   0.274
  101   1HB   LEU  19          2HB       LEU  19 -16.077  -8.990   2.743
  102   2HB   LEU  19          1HB       LEU  19 -17.674  -9.500   3.191
  103    HG   LEU  19           HG       LEU  19 -17.337 -11.716   2.147
  104   1HD1  LEU  19          1HD1      LEU  19 -15.630 -10.947   0.467
  105   2HD1  LEU  19          2HD1      LEU  19 -15.024 -12.279   1.437
  106   3HD1  LEU  19          3HD1      LEU  19 -14.515 -10.628   1.785
  107   1HD2  LEU  19          1HD2      LEU  19 -16.924 -11.259   4.522
  108   2HD2  LEU  19          2HD2      LEU  19 -15.265 -10.816   4.177
  109   3HD2  LEU  19          3HD2      LEU  19 -15.807 -12.474   3.943
  110    H    LYS  20           H        LYS  20 -18.373 -11.461   0.731
  111    HA   LYS  20           HA       LYS  20 -21.042 -10.716  -0.137
  112   1HB   LYS  20          2HB       LYS  20 -21.430 -13.160  -0.153
  113   2HB   LYS  20          1HB       LYS  20 -19.910 -12.784  -0.940
  114   1HG   LYS  20          2HG       LYS  20 -18.676 -13.404   1.158
  115   2HG   LYS  20          1HG       LYS  20 -20.193 -13.856   1.907
  116   1HD   LYS  20          2HD       LYS  20 -19.038 -15.151  -0.585
  117   2HD   LYS  20          1HD       LYS  20 -19.013 -15.836   1.025
  118   1HE   LYS  20          2HE       LYS  20 -21.537 -15.239  -0.598
  119   2HE   LYS  20          1HE       LYS  20 -20.859 -16.821  -0.269
  120   1HZ   LYS  20          1HZ       LYS  20 -22.525 -16.551   1.292
  121   2HZ   LYS  20          2HZ       LYS  20 -22.091 -14.945   1.636
  122   3HZ   LYS  20          3HZ       LYS  20 -21.098 -16.220   2.155
  123    H    ILE  21           H        ILE  21 -19.576 -12.127   2.764
  124    HA   ILE  21           HA       ILE  21 -21.604 -10.966   4.525
  125    HB   ILE  21           HB       ILE  21 -20.864 -13.922   4.384
  126   1HG1  ILE  21          2HG1      ILE  21 -23.559 -12.561   3.889
  127   2HG1  ILE  21          1HG1      ILE  21 -22.549 -13.308   2.668
  128   1HG2  ILE  21          1HG2      ILE  21 -22.427 -14.175   6.335
  129   2HG2  ILE  21          2HG2      ILE  21 -22.651 -12.427   6.346
  130   3HG2  ILE  21          3HG2      ILE  21 -21.078 -13.126   6.711
  131   1HD1  ILE  21          1HD1      ILE  21 -23.857 -14.809   4.965
  132   2HD1  ILE  21          2HD1      ILE  21 -22.820 -15.518   3.738
  133   3HD1  ILE  21          3HD1      ILE  21 -24.368 -14.822   3.291
  134    H    GLY  22           H        GLY  22 -20.328  -9.894   5.980
  135   1HA   GLY  22          2HA       GLY  22 -18.798  -9.723   7.744
  136   2HA   GLY  22          1HA       GLY  22 -18.037 -11.184   7.165
  137    H    TYR  23           H        TYR  23 -18.809  -8.169   5.725
  138    HA   TYR  23           HA       TYR  23 -16.986  -7.554   3.865
  139   1HB   TYR  23          2HB       TYR  23 -17.720  -5.512   5.936
  140   2HB   TYR  23          1HB       TYR  23 -17.345  -5.239   4.253
  141    HD1  TYR  23           1HD      TYR  23 -19.901  -4.704   6.043
  142    HD2  TYR  23           2HD      TYR  23 -19.005  -7.517   2.994
  143    HE1  TYR  23           1HE      TYR  23 -22.289  -4.891   5.514
  144    HE2  TYR  23           2HE      TYR  23 -21.391  -7.703   2.462
  145    HH   TYR  23           HH       TYR  23 -23.825  -6.419   4.487
  146    H    GLU  24           H        GLU  24 -15.128  -6.249   3.613
  147    HA   GLU  24           HA       GLU  24 -13.142  -6.629   5.767
  148   1HB   GLU  24          2HB       GLU  24 -12.771  -6.201   2.835
  149   2HB   GLU  24          1HB       GLU  24 -11.535  -6.593   3.983
  150   1HG   GLU  24          2HG       GLU  24 -13.867  -8.366   3.208
  151   2HG   GLU  24          1HG       GLU  24 -12.206  -8.578   2.689
  152    H    CYS  25           H        CYS  25 -11.548  -5.189   6.002
  153    HA   CYS  25           HA       CYS  25 -12.037  -2.400   5.347
  154   1HB   CYS  25          2HB       CYS  25 -12.550  -2.762   7.753
  155   2HB   CYS  25          1HB       CYS  25 -11.005  -3.557   7.978
  156    H    LEU  26           H        LEU  26 -10.595  -2.972   3.522
  157    HA   LEU  26           HA       LEU  26  -7.864  -3.805   4.093
  158   1HB   LEU  26          2HB       LEU  26  -8.810  -2.568   1.493
  159   2HB   LEU  26          1HB       LEU  26  -7.555  -3.721   1.775
  160    HG   LEU  26           HG       LEU  26 -10.476  -4.373   2.116
  161   1HD1  LEU  26          1HD1      LEU  26  -8.515  -5.221  -0.052
  162   2HD1  LEU  26          2HD1      LEU  26  -9.888  -4.143  -0.257
  163   3HD1  LEU  26          3HD1      LEU  26 -10.138  -5.834   0.120
  164   1HD2  LEU  26          1HD2      LEU  26  -8.074  -6.212   2.356
  165   2HD2  LEU  26          2HD2      LEU  26  -9.760  -6.712   2.394
  166   3HD2  LEU  26          3HD2      LEU  26  -9.120  -5.700   3.675
  167    H    CYS  27           H        CYS  27  -6.299  -2.287   2.623
  168    HA   CYS  27           HA       CYS  27  -6.207   0.266   4.086
  169   1HB   CYS  27          2HB       CYS  27  -4.172  -1.208   2.428
  170   2HB   CYS  27          1HB       CYS  27  -3.866   0.240   3.348
  171    HA   PRO  28           HA       PRO  28  -7.561   2.441   0.387
  172   1HB   PRO  28          2HB       PRO  28  -6.971   4.958   1.205
  173   2HB   PRO  28          1HB       PRO  28  -8.298   4.024   1.809
  174   1HG   PRO  28          2HG       PRO  28  -5.667   4.515   3.087
  175   2HG   PRO  28          1HG       PRO  28  -7.282   4.494   3.803
  176   1HD   PRO  28          2HD       PRO  28  -5.537   2.412   3.958
  177   2HD   PRO  28          1HD       PRO  28  -7.299   2.236   4.038
  178    H    ASP  29           H        ASP  29  -4.662   3.592   1.825
  179    HA   ASP  29           HA       ASP  29  -3.473   4.598  -0.626
  180   1HB   ASP  29          2HB       ASP  29  -1.612   5.210   0.913
  181   2HB   ASP  29          1HB       ASP  29  -3.167   5.713   1.542
  182    H    GLY  30           H        GLY  30  -0.958   4.147  -0.619
  183   1HA   GLY  30          2HA       GLY  30  -0.453   1.869  -2.043
  184   2HA   GLY  30          1HA       GLY  30   0.789   2.765  -1.203
  185    H    PHE  31           H        PHE  31   0.100   2.207   1.460
  186    HA   PHE  31           HA       PHE  31   1.367  -0.286   1.843
  187   1HB   PHE  31          2HB       PHE  31  -0.470   1.240   3.753
  188   2HB   PHE  31          1HB       PHE  31   0.789   0.121   4.200
  189    HD1  PHE  31           1HD      PHE  31   0.398   3.589   4.085
  190    HD2  PHE  31           2HD      PHE  31   2.972   0.567   2.622
  191    HE1  PHE  31           1HE      PHE  31   2.184   5.242   3.770
  192    HE2  PHE  31           2HE      PHE  31   4.764   2.198   2.304
  193    HZ   PHE  31           HZ       PHE  31   4.391   4.527   2.872
  194    H    GLN  32           H        GLN  32   0.655  -2.077   2.902
  195    HA   GLN  32           HA       GLN  32  -2.023  -3.040   1.956
  196   1HB   GLN  32          2HB       GLN  32  -0.086  -4.072   0.822
  197   2HB   GLN  32          1HB       GLN  32   0.564  -4.580   2.368
  198   1HG   GLN  32          2HG       GLN  32  -1.421  -6.045   2.737
  199   2HG   GLN  32          1HG       GLN  32  -2.115  -5.499   1.216
  200   1HE2  GLN  32          1HE2      GLN  32  -1.193  -6.330  -0.752
  201   2HE2  GLN  32          2HE2      GLN  32  -0.052  -7.586  -0.757
  202    H    LEU  33           H        LEU  33  -3.153  -4.512   3.191
  203    HA   LEU  33           HA       LEU  33  -3.060  -3.999   6.058
  204   1HB   LEU  33          2HB       LEU  33  -5.137  -4.467   4.434
  205   2HB   LEU  33          1HB       LEU  33  -4.728  -6.148   4.662
  206    HG   LEU  33           HG       LEU  33  -4.852  -5.688   7.196
  207   1HD1  LEU  33          1HD1      LEU  33  -6.184  -3.644   7.815
  208   2HD1  LEU  33          2HD1      LEU  33  -6.184  -3.154   6.141
  209   3HD1  LEU  33          3HD1      LEU  33  -4.680  -3.198   7.041
  210   1HD2  LEU  33          1HD2      LEU  33  -7.410  -5.346   5.579
  211   2HD2  LEU  33          2HD2      LEU  33  -7.332  -5.836   7.257
  212   3HD2  LEU  33          3HD2      LEU  33  -6.671  -6.882   6.014
  213    H    VAL  34           H        VAL  34  -1.573  -5.064   7.259
  214    HA   VAL  34           HA       VAL  34  -0.697  -7.803   6.436
  215    HB   VAL  34           HB       VAL  34   0.847  -5.651   7.949
  216   1HG1  VAL  34          1HG1      VAL  34   2.784  -7.200   7.729
  217   2HG1  VAL  34          2HG1      VAL  34   1.752  -8.407   6.983
  218   3HG1  VAL  34          3HG1      VAL  34   1.515  -7.963   8.665
  219   1HG2  VAL  34          1HG2      VAL  34   2.240  -5.584   5.889
  220   2HG2  VAL  34          2HG2      VAL  34   0.579  -5.173   5.521
  221   3HG2  VAL  34          3HG2      VAL  34   1.188  -6.769   5.130
  222    H    ALA  35           H        ALA  35  -0.337  -6.099   9.507
  223    HA   ALA  35           HA       ALA  35  -0.960  -8.475  10.964
  224   1HB   ALA  35          1HB       ALA  35  -0.230  -5.681  11.937
  225   2HB   ALA  35          2HB       ALA  35   0.872  -7.026  11.718
  226   3HB   ALA  35          3HB       ALA  35  -0.365  -7.092  12.963
  227    H    GLN  36           H        GLN  36  -3.031  -8.413   9.948
  228    HA   GLN  36           HA       GLN  36  -5.334  -8.512  10.117
  229   1HB   GLN  36          2HB       GLN  36  -4.954  -7.186  12.862
  230   2HB   GLN  36          1HB       GLN  36  -6.401  -7.984  12.285
  231   1HG   GLN  36          2HG       GLN  36  -5.211 -10.136  12.089
  232   2HG   GLN  36          1HG       GLN  36  -3.718  -9.378  12.630
  233   1HE2  GLN  36          1HE2      GLN  36  -6.696 -10.785  13.690
  234   2HE2  GLN  36          2HE2      GLN  36  -6.488 -10.488  15.349
  235    H    ARG  37           H        ARG  37  -4.731  -5.460  11.816
  236    HA   ARG  37           HA       ARG  37  -6.304  -4.007   9.733
  237   1HB   ARG  37          2HB       ARG  37  -6.164  -3.470  12.721
  238   2HB   ARG  37          1HB       ARG  37  -6.914  -2.386  11.578
  239   1HG   ARG  37          2HG       ARG  37  -8.647  -3.666  12.671
  240   2HG   ARG  37          1HG       ARG  37  -8.577  -4.141  10.992
  241   1HD   ARG  37          2HD       ARG  37  -7.439  -6.218  11.564
  242   2HD   ARG  37          1HD       ARG  37  -7.313  -5.758  13.257
  243    HE   ARG  37           HE       ARG  37  -9.668  -6.751  11.822
  244   1HH1  ARG  37          2HH1      ARG  37  -8.511  -5.000  14.585
  245   2HH1  ARG  37          1HH1      ARG  37  -9.937  -5.310  15.515
  246   1HH2  ARG  37          1HH2      ARG  37 -11.476  -7.152  12.984
  247   2HH2  ARG  37          2HH2      ARG  37 -11.641  -6.546  14.596
  248    H    ARG  38           H        ARG  38  -3.257  -4.456  10.595
  249    HA   ARG  38           HA       ARG  38  -2.347  -1.655  10.776
  250   1HB   ARG  38          2HB       ARG  38  -1.297  -3.458  12.121
  251   2HB   ARG  38          1HB       ARG  38  -0.799  -4.241  10.632
  252   1HG   ARG  38          2HG       ARG  38   0.595  -2.264  10.023
  253   2HG   ARG  38          1HG       ARG  38   0.097  -1.460  11.501
  254   1HD   ARG  38          2HD       ARG  38   1.613  -4.102  11.360
  255   2HD   ARG  38          1HD       ARG  38   2.317  -2.547  11.796
  256    HE   ARG  38           HE       ARG  38   0.252  -2.776  13.584
  257   1HH1  ARG  38          2HH1      ARG  38   2.845  -4.878  12.641
  258   2HH1  ARG  38          1HH1      ARG  38   2.938  -5.641  14.192
  259   1HH2  ARG  38          1HH2      ARG  38   0.355  -3.726  15.550
  260   2HH2  ARG  38          2HH2      ARG  38   1.508  -4.978  15.866
  261    H    CYS  39           H        CYS  39  -2.134  -0.475   8.983
  262    HA   CYS  39           HA       CYS  39  -1.629  -1.793   6.388
  263   1HB   CYS  39          2HB       CYS  39  -2.420   1.021   7.073
  264   2HB   CYS  39          1HB       CYS  39  -2.138   0.454   5.446
  265    H    GLU  40           H        GLU  40   0.402  -2.155   5.904
  266    HA   GLU  40           HA       GLU  40   2.291   0.098   5.677
  267   1HB   GLU  40          2HB       GLU  40   2.732  -0.924   7.974
  268   2HB   GLU  40          1HB       GLU  40   3.060  -2.445   7.178
  269   1HG   GLU  40          2HG       GLU  40   4.944  -1.488   5.921
  270   2HG   GLU  40          1HG       GLU  40   4.598   0.119   6.498
  271    H    ASP  41           H        ASP  41   4.030  -0.391   4.288
  272    HA   ASP  41           HA       ASP  41   3.355  -2.162   2.088
  273   1HB   ASP  41          2HB       ASP  41   4.458   0.009   1.623
  274   2HB   ASP  41          1HB       ASP  41   5.772  -0.398   2.691
  275    H    ILE  42           H        ILE  42   5.127  -3.577   1.215
  276    HA   ILE  42           HA       ILE  42   5.656  -5.696   2.968
  277    HB   ILE  42           HB       ILE  42   6.960  -4.938   0.303
  278   1HG1  ILE  42          2HG1      ILE  42   5.555  -6.765  -0.684
  279   2HG1  ILE  42          1HG1      ILE  42   4.802  -7.019   0.872
  280   1HG2  ILE  42          1HG2      ILE  42   7.173  -7.602   1.761
  281   2HG2  ILE  42          2HG2      ILE  42   8.487  -6.468   1.496
  282   3HG2  ILE  42          3HG2      ILE  42   7.755  -7.286   0.135
  283   1HD1  ILE  42          1HD1      ILE  42   4.595  -4.473  -0.772
  284   2HD1  ILE  42          2HD1      ILE  42   3.789  -4.744   0.769
  285   3HD1  ILE  42          3HD1      ILE  42   3.355  -5.706  -0.618
  286    H    ASP  43           H        ASP  43   7.902  -6.400   3.735
  287    HA   ASP  43           HA       ASP  43   9.465  -3.995   4.584
  288   1HB   ASP  43          2HB       ASP  43   8.606  -5.697   6.267
  289   2HB   ASP  43          1HB       ASP  43   9.706  -6.868   5.560
  290    H    GLU  44           H        GLU  44  10.995  -3.429   3.300
  291    HA   GLU  44           HA       GLU  44  12.242  -5.136   1.376
  292   1HB   GLU  44          2HB       GLU  44  13.183  -2.447   2.433
  293   2HB   GLU  44          1HB       GLU  44  13.694  -3.215   0.954
  294   1HG   GLU  44          2HG       GLU  44  12.160  -1.496   0.461
  295   2HG   GLU  44          1HG       GLU  44  11.422  -3.029   0.033
  296    H    CYS  45           H        CYS  45  13.039  -4.150   4.648
  297    HA   CYS  45           HA       CYS  45  15.775  -4.732   4.609
  298   1HB   CYS  45          2HB       CYS  45  13.871  -4.939   6.979
  299   2HB   CYS  45          1HB       CYS  45  15.587  -4.830   7.026
  300    H    GLN  46           H        GLN  46  13.249  -6.547   5.992
  301    HA   GLN  46           HA       GLN  46  14.415  -8.898   6.766
  302   1HB   GLN  46          2HB       GLN  46  11.705  -8.495   5.437
  303   2HB   GLN  46          1HB       GLN  46  12.150  -9.941   6.311
  304   1HG   GLN  46          2HG       GLN  46  12.128  -7.146   7.523
  305   2HG   GLN  46          1HG       GLN  46  10.854  -8.333   7.753
  306   1HE2  GLN  46          1HE2      GLN  46  11.654 -10.482   8.750
  307   2HE2  GLN  46          2HE2      GLN  46  12.887 -10.385   9.911
  308    H    ASP  47           H        ASP  47  13.284  -8.153   3.522
  309    HA   ASP  47           HA       ASP  47  14.174 -10.644   2.449
  310   1HB   ASP  47          2HB       ASP  47  12.209  -9.435   1.502
  311   2HB   ASP  47          1HB       ASP  47  13.258  -8.109   1.028
  312    HA   PRO  48           HA       PRO  48  18.294  -8.873   1.859
  313   1HB   PRO  48          2HB       PRO  48  19.585 -11.046   0.970
  314   2HB   PRO  48          1HB       PRO  48  18.944 -11.001   2.594
  315   1HG   PRO  48          2HG       PRO  48  17.763 -12.305   0.174
  316   2HG   PRO  48          1HG       PRO  48  17.893 -12.921   1.829
  317   1HD   PRO  48          2HD       PRO  48  15.625 -11.752   0.764
  318   2HD   PRO  48          1HD       PRO  48  15.993 -11.868   2.496
  319    H    ASP  49           H        ASP  49  17.088  -7.548   0.139
  320    HA   ASP  49           HA       ASP  49  18.439  -8.001  -2.452
  321   1HB   ASP  49          2HB       ASP  49  16.197  -9.006  -2.682
  322   2HB   ASP  49          1HB       ASP  49  15.482  -7.510  -2.093
  323    H    THR  50           H        THR  50  16.554  -5.827  -0.432
  324    HA   THR  50           HA       THR  50  16.986  -3.471  -2.000
  325    HB   THR  50           HB       THR  50  15.191  -3.694  -0.303
  326    HG1  THR  50           1HG      THR  50  17.117  -1.680   0.234
  327   1HG2  THR  50          1HG2      THR  50  15.579  -3.288   2.082
  328   2HG2  THR  50          2HG2      THR  50  17.292  -3.189   1.869
  329   3HG2  THR  50          3HG2      THR  50  16.491  -4.728   1.645
  330    H    CYS  51           H        CYS  51  18.450  -4.207   1.140
  331    HA   CYS  51           HA       CYS  51  20.860  -2.637   0.357
  332   1HB   CYS  51          2HB       CYS  51  19.979  -3.602   3.063
  333   2HB   CYS  51          1HB       CYS  51  21.123  -2.349   2.681
  334    H    SER  52           H        SER  52  22.984  -3.706   0.899
  335    HA   SER  52           HA       SER  52  22.956  -6.509   0.235
  336   1HB   SER  52          2HB       SER  52  24.919  -5.019  -0.281
  337   2HB   SER  52          1HB       SER  52  25.232  -4.871   1.460
  338    HG   SER  52           HG       SER  52  24.933  -7.373   0.192
  339    H    GLN  53           H        GLN  53  23.221  -4.693   3.208
  340    HA   GLN  53           HA       GLN  53  22.783  -7.186   4.782
  341   1HB   GLN  53          2HB       GLN  53  24.782  -4.982   5.412
  342   2HB   GLN  53          1HB       GLN  53  24.349  -6.272   6.515
  343   1HG   GLN  53          2HG       GLN  53  25.554  -6.667   3.756
  344   2HG   GLN  53          1HG       GLN  53  26.471  -6.727   5.255
  345   1HE2  GLN  53          1HE2      GLN  53  25.034  -8.287   6.940
  346   2HE2  GLN  53          2HE2      GLN  53  24.720  -9.815   6.272
  347    H    LEU  54           H        LEU  54  23.338  -3.961   6.153
  348    HA   LEU  54           HA       LEU  54  20.915  -4.184   7.638
  349   1HB   LEU  54          2HB       LEU  54  22.726  -1.855   7.203
  350   2HB   LEU  54          1HB       LEU  54  21.385  -1.881   8.326
  351    HG   LEU  54           HG       LEU  54  23.945  -3.483   8.483
  352   1HD1  LEU  54          1HD1      LEU  54  22.505  -1.447  10.210
  353   2HD1  LEU  54          2HD1      LEU  54  23.888  -1.098   9.188
  354   3HD1  LEU  54          3HD1      LEU  54  24.070  -2.163  10.587
  355   1HD2  LEU  54          1HD2      LEU  54  23.013  -4.429  10.553
  356   2HD2  LEU  54          2HD2      LEU  54  21.986  -4.895   9.207
  357   3HD2  LEU  54          3HD2      LEU  54  21.488  -3.587  10.279
  358    H    CYS  55           H        CYS  55  19.441  -2.817   7.925
  359    HA   CYS  55           HA       CYS  55  18.501  -0.893   5.942
  360   1HB   CYS  55          2HB       CYS  55  17.950  -2.931   4.737
  361   2HB   CYS  55          1HB       CYS  55  17.200  -3.649   6.083
  362    H    VAL  56           H        VAL  56  16.202  -0.254   6.391
  363    HA   VAL  56           HA       VAL  56  15.254  -0.494   9.179
  364    HB   VAL  56           HB       VAL  56  16.004   2.232   7.966
  365   1HG1  VAL  56          1HG1      VAL  56  13.998   2.340   9.435
  366   2HG1  VAL  56          2HG1      VAL  56  15.359   3.148  10.187
  367   3HG1  VAL  56          3HG1      VAL  56  14.888   1.543  10.720
  368   1HG2  VAL  56          1HG2      VAL  56  17.311   0.772  10.296
  369   2HG2  VAL  56          2HG2      VAL  56  17.696   2.401   9.764
  370   3HG2  VAL  56          3HG2      VAL  56  18.037   1.042   8.717
  371    H    ASN  57           H        ASN  57  13.383  -1.365   8.345
  372    HA   ASN  57           HA       ASN  57  11.878  -0.085   6.195
  373   1HB   ASN  57          2HB       ASN  57  12.041  -2.508   6.286
  374   2HB   ASN  57          1HB       ASN  57  11.282  -2.512   7.873
  375   1HD2  ASN  57          1HD2      ASN  57   9.177  -3.213   7.716
  376   2HD2  ASN  57          2HD2      ASN  57   8.100  -2.807   6.470
  377    H    LEU  58           H        LEU  58   9.746   0.253   6.217
  378    HA   LEU  58           HA       LEU  58   7.802   0.607   8.185
  379   1HB   LEU  58          2HB       LEU  58   7.809   3.013   8.672
  380   2HB   LEU  58          1HB       LEU  58   9.305   2.341   9.216
  381    HG   LEU  58           HG       LEU  58   9.078   3.739   6.526
  382   1HD1  LEU  58          1HD1      LEU  58  10.081   5.716   7.729
  383   2HD1  LEU  58          2HD1      LEU  58  10.017   4.837   9.248
  384   3HD1  LEU  58          3HD1      LEU  58   8.530   5.315   8.446
  385   1HD2  LEU  58          1HD2      LEU  58  11.500   3.974   6.801
  386   2HD2  LEU  58          2HD2      LEU  58  11.034   2.296   6.772
  387   3HD2  LEU  58          3HD2      LEU  58  11.436   3.073   8.300
  388    H    GLU  59           H        GLU  59   6.746   3.016   7.247
  389    HA   GLU  59           HA       GLU  59   5.567   2.132   4.768
  390   1HB   GLU  59          2HB       GLU  59   5.118   4.423   6.667
  391   2HB   GLU  59          1HB       GLU  59   4.392   4.597   5.121
  392   1HG   GLU  59          2HG       GLU  59   2.662   3.625   6.476
  393   2HG   GLU  59          1HG       GLU  59   3.286   2.280   5.583
  394    H    GLY  60           H        GLY  60   6.924   2.035   3.314
  395   1HA   GLY  60          2HA       GLY  60   8.083   2.568   1.431
  396   2HA   GLY  60          1HA       GLY  60   7.118   4.027   1.424
  397    H    GLY  61           H        GLY  61   8.502   4.383   4.197
  398   1HA   GLY  61          2HA       GLY  61  10.665   6.115   3.196
  399   2HA   GLY  61          1HA       GLY  61  10.062   6.038   4.852
  400    H    TYR  62           H        TYR  62  10.774   3.065   3.494
  401    HA   TYR  62           HA       TYR  62  12.709   2.406   5.432
  402   1HB   TYR  62          2HB       TYR  62  13.082   0.323   4.207
  403   2HB   TYR  62          1HB       TYR  62  11.389   0.747   4.013
  404    HD1  TYR  62           1HD      TYR  62  10.666   1.918   1.815
  405    HD2  TYR  62           2HD      TYR  62  14.526   0.202   2.365
  406    HE1  TYR  62           1HE      TYR  62  11.038   1.942  -0.606
  407    HE2  TYR  62           2HE      TYR  62  14.895   0.227  -0.042
  408    HH   TYR  62           HH       TYR  62  13.009   1.983  -2.171
  409    H    LYS  63           H        LYS  63  14.939   2.391   5.541
  410    HA   LYS  63           HA       LYS  63  16.463   3.398   3.220
  411   1HB   LYS  63          2HB       LYS  63  16.673   4.219   6.081
  412   2HB   LYS  63          1HB       LYS  63  17.759   4.694   4.830
  413   1HG   LYS  63          2HG       LYS  63  15.846   5.777   3.577
  414   2HG   LYS  63          1HG       LYS  63  14.787   5.360   4.902
  415   1HD   LYS  63          2HD       LYS  63  17.147   7.255   5.119
  416   2HD   LYS  63          1HD       LYS  63  15.478   7.742   4.963
  417   1HE   LYS  63          2HE       LYS  63  16.116   7.910   7.312
  418   2HE   LYS  63          1HE       LYS  63  14.967   6.593   7.145
  419   1HZ   LYS  63          1HZ       LYS  63  16.468   5.092   7.751
  420   2HZ   LYS  63          2HZ       LYS  63  17.299   6.419   8.411
  421   3HZ   LYS  63          3HZ       LYS  63  17.733   5.823   6.883
  422    H    CYS  64           H        CYS  64  18.672   2.993   3.374
  423    HA   CYS  64           HA       CYS  64  19.330   0.395   4.608
  424   1HB   CYS  64          2HB       CYS  64  20.666   1.961   2.426
  425   2HB   CYS  64          1HB       CYS  64  21.244   0.463   3.050
  426    H    GLN  65           H        GLN  65  21.444   0.018   5.262
  427    HA   GLN  65           HA       GLN  65  23.140   2.204   6.330
  428   1HB   GLN  65          2HB       GLN  65  22.279  -0.073   8.153
  429   2HB   GLN  65          1HB       GLN  65  23.178   1.341   8.565
  430   1HG   GLN  65          2HG       GLN  65  21.266   2.820   8.255
  431   2HG   GLN  65          1HG       GLN  65  20.260   1.470   7.737
  432   1HE2  GLN  65          1HE2      GLN  65  20.172  -0.415   9.393
  433   2HE2  GLN  65          2HE2      GLN  65  20.072   0.025  11.030
  434    H    CYS  66           H        CYS  66  24.939   0.585   7.633
  435    HA   CYS  66           HA       CYS  66  25.659  -1.510   5.660
  436   1HB   CYS  66          2HB       CYS  66  27.583   0.331   7.011
  437   2HB   CYS  66          1HB       CYS  66  27.860  -0.817   5.842
  438    H    GLU  67           H        GLU  67  26.880  -3.127   6.348
  439    HA   GLU  67           HA       GLU  67  26.565  -3.897   9.186
  440   1HB   GLU  67          2HB       GLU  67  26.087  -5.437   7.226
  441   2HB   GLU  67          1HB       GLU  67  27.794  -5.479   6.867
  442   1HG   GLU  67          2HG       GLU  67  26.467  -6.461   9.440
  443   2HG   GLU  67          1HG       GLU  67  27.068  -7.482   8.156
  444    H    GLU  68           H        GLU  68  27.971  -2.172   9.828
  445    HA   GLU  68           HA       GLU  68  29.960  -1.212  10.517
  446   1HB   GLU  68          2HB       GLU  68  30.748  -4.160  10.616
  447   2HB   GLU  68          1HB       GLU  68  31.590  -2.878  11.452
  448   1HG   GLU  68          2HG       GLU  68  28.678  -3.727  11.877
  449   2HG   GLU  68          1HG       GLU  68  30.011  -4.045  12.968
  450    H    GLY  69           H        GLY  69  31.534  -3.885   8.916
  451   1HA   GLY  69          2HA       GLY  69  33.684  -2.435   7.875
  452   2HA   GLY  69          1HA       GLY  69  33.213  -4.043   7.348
  453    H    PHE  70           H        PHE  70  30.486  -2.918   6.598
  454    HA   PHE  70           HA       PHE  70  31.163  -2.361   3.906
  455   1HB   PHE  70          2HB       PHE  70  28.602  -2.469   5.455
  456   2HB   PHE  70          1HB       PHE  70  28.581  -2.004   3.762
  457    HD1  PHE  70           1HD      PHE  70  30.743  -4.685   5.262
  458    HD2  PHE  70           2HD      PHE  70  27.255  -3.803   2.982
  459    HE1  PHE  70           1HE      PHE  70  30.525  -7.049   4.697
  460    HE2  PHE  70           2HE      PHE  70  27.055  -6.171   2.413
  461    HZ   PHE  70           HZ       PHE  70  28.677  -7.803   3.261
  462    H    GLN  71           H        GLN  71  30.446  -0.472   2.721
  463    HA   GLN  71           HA       GLN  71  30.273   1.993   4.309
  464   1HB   GLN  71          2HB       GLN  71  32.113   1.222   2.071
  465   2HB   GLN  71          1HB       GLN  71  31.626   2.874   2.157
  466   1HG   GLN  71          2HG       GLN  71  32.895   1.332   4.476
  467   2HG   GLN  71          1HG       GLN  71  33.759   2.467   3.439
  468   1HE2  GLN  71          1HE2      GLN  71  33.570   3.004   6.193
  469   2HE2  GLN  71          2HE2      GLN  71  32.546   4.334   6.450
  470    H    LEU  72           H        LEU  72  29.837   3.827   2.972
  471    HA   LEU  72           HA       LEU  72  27.249   3.309   1.655
  472   1HB   LEU  72          2HB       LEU  72  27.534   5.222   3.223
  473   2HB   LEU  72          1HB       LEU  72  28.677   5.953   2.115
  474    HG   LEU  72           HG       LEU  72  26.862   5.878   0.321
  475   1HD1  LEU  72          1HD1      LEU  72  24.514   5.615   1.037
  476   2HD1  LEU  72          2HD1      LEU  72  25.044   5.158   2.646
  477   3HD1  LEU  72          3HD1      LEU  72  25.406   4.129   1.272
  478   1HD2  LEU  72          1HD2      LEU  72  25.620   7.837   1.235
  479   2HD2  LEU  72          2HD2      LEU  72  27.337   7.959   1.591
  480   3HD2  LEU  72          3HD2      LEU  72  26.212   7.460   2.848
  481    H    ASP  73           H        ASP  73  27.567   2.433  -0.275
  482    HA   ASP  73           HA       ASP  73  29.580   3.296  -2.177
  483   1HB   ASP  73          2HB       ASP  73  28.649   0.983  -2.228
  484   2HB   ASP  73          1HB       ASP  73  27.066   1.619  -2.642
  485    HA   PRO  74           HA       PRO  74  27.099   6.801  -3.531
  486   1HB   PRO  74          2HB       PRO  74  28.710   7.748  -5.466
  487   2HB   PRO  74          1HB       PRO  74  29.168   7.848  -3.783
  488   1HG   PRO  74          2HG       PRO  74  30.009   5.806  -5.806
  489   2HG   PRO  74          1HG       PRO  74  31.000   6.709  -4.646
  490   1HD   PRO  74          2HD       PRO  74  30.173   4.171  -4.198
  491   2HD   PRO  74          1HD       PRO  74  30.432   5.340  -2.889
  492    H    HIS  75           H        HIS  75  26.149   7.620  -5.503
  493    HA   HIS  75           HA       HIS  75  24.807   7.429  -7.390
  494   1HB   HIS  75          2HB       HIS  75  26.711   5.160  -8.152
  495   2HB   HIS  75          1HB       HIS  75  25.606   5.993  -9.230
  496    HD1  HIS  75           1HD      HIS  75  28.733   6.611  -7.328
  497    HD2  HIS  75           2HD      HIS  75  26.443   8.544 -10.101
  498    HE1  HIS  75           1HE      HIS  75  30.053   8.555  -8.085
  499    H    THR  76           H        THR  76  24.902   5.250  -5.070
  500    HA   THR  76           HA       THR  76  22.489   3.775  -5.998
  501    HB   THR  76           HB       THR  76  23.411   1.711  -4.843
  502    HG1  THR  76           1HG      THR  76  25.735   3.315  -4.734
  503   1HG2  THR  76          1HG2      THR  76  25.206   1.159  -6.501
  504   2HG2  THR  76          2HG2      THR  76  25.433   2.859  -6.876
  505   3HG2  THR  76          3HG2      THR  76  23.957   2.043  -7.362
  506    H    LYS  77           H        LYS  77  24.527   4.804  -3.472
  507    HA   LYS  77           HA       LYS  77  24.182   5.621  -1.312
  508   1HB   LYS  77          2HB       LYS  77  21.351   5.358  -1.993
  509   2HB   LYS  77          1HB       LYS  77  21.927   6.198  -0.580
  510   1HG   LYS  77          2HG       LYS  77  23.205   7.764  -2.074
  511   2HG   LYS  77          1HG       LYS  77  22.528   6.961  -3.481
  512   1HD   LYS  77          2HD       LYS  77  20.230   7.553  -2.727
  513   2HD   LYS  77          1HD       LYS  77  20.897   8.358  -1.317
  514   1HE   LYS  77          2HE       LYS  77  21.457   9.138  -4.215
  515   2HE   LYS  77          1HE       LYS  77  20.388   9.997  -3.117
  516   1HZ   LYS  77          1HZ       LYS  77  22.350  11.154  -2.977
  517   2HZ   LYS  77          2HZ       LYS  77  23.317   9.758  -3.025
  518   3HZ   LYS  77          3HZ       LYS  77  22.437  10.133  -1.622
  519    H    ALA  78           H        ALA  78  23.814   2.681  -2.332
  520    HA   ALA  78           HA       ALA  78  22.559   1.405   0.020
  521   1HB   ALA  78          1HB       ALA  78  22.113   0.519  -2.274
  522   2HB   ALA  78          2HB       ALA  78  22.933  -0.687  -1.297
  523   3HB   ALA  78          3HB       ALA  78  23.833   0.231  -2.496
  524    H    CYS  79           H        CYS  79  24.041  -0.750   0.507
  525    HA   CYS  79           HA       CYS  79  26.803   0.209   1.042
  526   1HB   CYS  79          2HB       CYS  79  24.987  -1.217   2.964
  527   2HB   CYS  79          1HB       CYS  79  26.684  -1.005   3.236
  528    H    LYS  80           H        LYS  80  28.388  -1.205   1.324
  529    HA   LYS  80           HA       LYS  80  28.024  -4.084   1.025
  530   1HB   LYS  80          2HB       LYS  80  29.376  -4.335  -0.784
  531   2HB   LYS  80          1HB       LYS  80  27.913  -3.497  -1.317
  532   1HG   LYS  80          2HG       LYS  80  29.248  -1.289  -1.119
  533   2HG   LYS  80          1HG       LYS  80  30.696  -2.255  -0.891
  534   1HD   LYS  80          2HD       LYS  80  30.313  -3.339  -3.104
  535   2HD   LYS  80          1HD       LYS  80  28.905  -2.314  -3.344
  536   1HE   LYS  80          2HE       LYS  80  30.386  -0.294  -3.060
  537   2HE   LYS  80          1HE       LYS  80  31.769  -1.364  -2.942
  538   1HZ   LYS  80          1HZ       LYS  80  30.901  -2.281  -5.165
  539   2HZ   LYS  80          2HZ       LYS  80  31.770  -0.822  -5.138
  540   3HZ   LYS  80          3HZ       LYS  80  30.078  -0.798  -5.263
  541    H    ALA  81           H        ALA  81  30.143  -5.194   1.258
  542    HA   ALA  81           HA       ALA  81  31.838  -4.252   3.265
  543   1HB   ALA  81          1HB       ALA  81  32.558  -6.132   0.989
  544   2HB   ALA  81          2HB       ALA  81  31.798  -6.601   2.500
  545   3HB   ALA  81          3HB       ALA  81  33.442  -5.988   2.500
  546    H    VAL  82           H        VAL  82  33.173  -2.595   3.384
  547    HA   VAL  82           HA       VAL  82  33.873  -0.802   1.434
  548    HB   VAL  82           HB       VAL  82  34.260  -0.462   3.851
  549   1HG1  VAL  82          1HG1      VAL  82  36.241  -1.474   4.979
  550   2HG1  VAL  82          2HG1      VAL  82  36.631  -2.376   3.527
  551   3HG1  VAL  82          3HG1      VAL  82  35.168  -2.739   4.413
  552   1HG2  VAL  82          1HG2      VAL  82  35.479   1.011   2.297
  553   2HG2  VAL  82          2HG2      VAL  82  36.819  -0.121   2.235
  554   3HG2  VAL  82          3HG2      VAL  82  36.440   0.707   3.733
  Start of MODEL    8
    1    H    GLY   1           H        GLY   1 -23.819   6.893   0.180
    2   1HA   GLY   1          2HA       GLY   1 -25.233   4.685   0.549
    3   2HA   GLY   1          1HA       GLY   1 -23.498   4.607   0.848
    4    H    THR   2           H        THR   2 -24.433   2.804   2.220
    5    HA   THR   2           HA       THR   2 -25.878   3.194   4.561
    6    HB   THR   2           HB       THR   2 -25.499   0.990   3.651
    7    HG1  THR   2           1HG      THR   2 -24.829   0.002   5.607
    8   1HG2  THR   2          1HG2      THR   2 -23.081   1.374   2.914
    9   2HG2  THR   2          2HG2      THR   2 -23.254  -0.080   3.883
   10   3HG2  THR   2          3HG2      THR   2 -22.618   1.391   4.609
   11    H    ASN   3           H        ASN   3 -25.034   2.770   6.746
   12    HA   ASN   3           HA       ASN   3 -22.822   4.653   7.336
   13   1HB   ASN   3          2HB       ASN   3 -25.135   4.952   8.384
   14   2HB   ASN   3          1HB       ASN   3 -24.936   3.407   9.185
   15   1HD2  ASN   3          1HD2      ASN   3 -23.914   3.416  11.209
   16   2HD2  ASN   3          2HD2      ASN   3 -23.109   4.757  11.870
   17    H    GLU   4           H        GLU   4 -22.341   2.085   6.404
   18    HA   GLU   4           HA       GLU   4 -21.051   0.617   8.615
   19   1HB   GLU   4          2HB       GLU   4 -21.238   0.119   5.607
   20   2HB   GLU   4          1HB       GLU   4 -20.517  -0.974   6.760
   21   1HG   GLU   4          2HG       GLU   4 -22.633  -1.298   7.914
   22   2HG   GLU   4          1HG       GLU   4 -23.410  -0.039   6.993
   23    H    CYS   5           H        CYS   5 -20.403   2.553   5.771
   24    HA   CYS   5           HA       CYS   5 -17.558   2.391   5.987
   25   1HB   CYS   5          2HB       CYS   5 -19.363   4.150   4.319
   26   2HB   CYS   5          1HB       CYS   5 -17.645   3.991   4.100
   27    H    LEU   6           H        LEU   6 -20.108   4.666   6.510
   28    HA   LEU   6           HA       LEU   6 -18.769   6.970   7.258
   29   1HB   LEU   6          2HB       LEU   6 -21.394   5.887   8.263
   30   2HB   LEU   6          1HB       LEU   6 -20.896   7.549   8.384
   31    HG   LEU   6           HG       LEU   6 -21.339   5.971   5.791
   32   1HD1  LEU   6          1HD1      LEU   6 -23.255   7.526   5.468
   33   2HD1  LEU   6          2HD1      LEU   6 -22.903   8.284   7.014
   34   3HD1  LEU   6          3HD1      LEU   6 -23.444   6.616   6.956
   35   1HD2  LEU   6          1HD2      LEU   6 -19.549   7.706   5.476
   36   2HD2  LEU   6          2HD2      LEU   6 -20.629   8.930   6.123
   37   3HD2  LEU   6          3HD2      LEU   6 -21.001   8.136   4.603
   38    H    ASP   7           H        ASP   7 -19.803   4.267   9.198
   39    HA   ASP   7           HA       ASP   7 -18.604   5.366  11.708
   40   1HB   ASP   7          2HB       ASP   7 -20.913   4.187  11.621
   41   2HB   ASP   7          1HB       ASP   7 -20.029   2.735  11.171
   42    H    ASN   8           H        ASN   8 -17.749   2.906  12.709
   43    HA   ASN   8           HA       ASN   8 -15.123   2.699  11.840
   44   1HB   ASN   8          2HB       ASN   8 -16.871   0.694  13.064
   45   2HB   ASN   8          1HB       ASN   8 -15.127   0.528  13.044
   46   1HD2  ASN   8          1HD2      ASN   8 -17.799   1.958  14.724
   47   2HD2  ASN   8          2HD2      ASN   8 -16.897   2.897  15.813
   48    H    ASN   9           H        ASN   9 -14.581   2.234   9.807
   49    HA   ASN   9           HA       ASN   9 -15.980   1.352   7.662
   50   1HB   ASN   9          2HB       ASN   9 -13.631   2.162   7.676
   51   2HB   ASN   9          1HB       ASN   9 -13.111   0.586   8.260
   52   1HD2  ASN   9          1HD2      ASN   9 -13.354  -1.264   6.816
   53   2HD2  ASN   9          2HD2      ASN   9 -13.510  -1.033   5.150
   54    H    GLY  10           H        GLY  10 -17.497  -0.195   8.316
   55   1HA   GLY  10          2HA       GLY  10 -18.418  -2.315   8.430
   56   2HA   GLY  10          1HA       GLY  10 -17.013  -2.820   7.505
   57    H    GLY  11           H        GLY  11 -16.074  -1.374  10.332
   58   1HA   GLY  11          2HA       GLY  11 -16.272  -2.667  12.590
   59   2HA   GLY  11          1HA       GLY  11 -15.454  -3.944  11.684
   60    H    CYS  12           H        CYS  12 -13.831  -2.228  10.097
   61    HA   CYS  12           HA       CYS  12 -11.765  -1.469  12.070
   62   1HB   CYS  12          2HB       CYS  12 -10.277  -1.700  10.227
   63   2HB   CYS  12          1HB       CYS  12 -11.342  -3.083  10.214
   64    H    SER  13           H        SER  13 -10.702   0.088   9.601
   65    HA   SER  13           HA       SER  13 -12.394   2.399   9.319
   66   1HB   SER  13          2HB       SER  13 -10.811   3.985  10.512
   67   2HB   SER  13          1HB       SER  13 -11.466   2.785  11.635
   68    HG   SER  13           HG       SER  13  -8.998   2.654  10.237
   69    H    HIS  14           H        HIS  14 -11.183   0.540   7.628
   70    HA   HIS  14           HA       HIS  14  -9.137   2.092   6.144
   71   1HB   HIS  14          2HB       HIS  14  -9.876  -0.873   6.129
   72   2HB   HIS  14          1HB       HIS  14  -8.593  -0.139   5.197
   73    HD1  HIS  14           1HD      HIS  14  -8.458  -2.194   7.745
   74    HD2  HIS  14           2HD      HIS  14  -7.259   1.708   7.654
   75    HE1  HIS  14           1HE      HIS  14  -6.827  -1.922   9.575
   76    H    VAL  15           H        VAL  15 -10.357  -0.251   4.219
   77    HA   VAL  15           HA       VAL  15 -12.282   1.572   2.870
   78    HB   VAL  15           HB       VAL  15 -10.227   0.972   1.689
   79   1HG1  VAL  15          1HG1      VAL  15  -9.827  -1.301   0.843
   80   2HG1  VAL  15          2HG1      VAL  15 -11.151  -1.906   1.810
   81   3HG1  VAL  15          3HG1      VAL  15  -9.745  -1.203   2.591
   82   1HG2  VAL  15          1HG2      VAL  15 -12.328   1.372   0.339
   83   2HG2  VAL  15          2HG2      VAL  15 -12.747  -0.326   0.481
   84   3HG2  VAL  15          3HG2      VAL  15 -11.344   0.154  -0.455
   85    H    CYS  16           H        CYS  16 -14.322   1.051   2.967
   86    HA   CYS  16           HA       CYS  16 -15.230  -1.485   4.062
   87   1HB   CYS  16          2HB       CYS  16 -17.434  -0.413   3.848
   88   2HB   CYS  16          1HB       CYS  16 -16.313   0.602   4.702
   89    H    ASN  17           H        ASN  17 -14.969  -3.197   2.660
   90    HA   ASN  17           HA       ASN  17 -15.762  -2.829  -0.177
   91   1HB   ASN  17          2HB       ASN  17 -13.635  -3.764   0.110
   92   2HB   ASN  17          1HB       ASN  17 -14.084  -4.785   1.437
   93   1HD2  ASN  17          1HD2      ASN  17 -13.854  -6.862   0.610
   94   2HD2  ASN  17          2HD2      ASN  17 -14.470  -7.413  -0.866
   95    H    ASP  18           H        ASP  18 -17.674  -2.429   0.582
   96    HA   ASP  18           HA       ASP  18 -19.492  -3.816   2.140
   97   1HB   ASP  18          2HB       ASP  18 -19.825  -1.531   1.215
   98   2HB   ASP  18          1HB       ASP  18 -20.129  -2.217  -0.371
   99    H    LEU  19           H        LEU  19 -19.365  -5.941   1.913
  100    HA   LEU  19           HA       LEU  19 -19.781  -7.467  -0.433
  101   1HB   LEU  19          2HB       LEU  19 -18.601  -7.980   1.864
  102   2HB   LEU  19          1HB       LEU  19 -20.212  -8.224   2.461
  103    HG   LEU  19           HG       LEU  19 -20.626 -10.082   0.923
  104   1HD1  LEU  19          1HD1      LEU  19 -17.731  -9.560   0.155
  105   2HD1  LEU  19          2HD1      LEU  19 -19.098  -9.254  -0.899
  106   3HD1  LEU  19          3HD1      LEU  19 -18.712 -10.900  -0.434
  107   1HD2  LEU  19          1HD2      LEU  19 -19.056 -11.630   2.046
  108   2HD2  LEU  19          2HD2      LEU  19 -19.669 -10.430   3.160
  109   3HD2  LEU  19          3HD2      LEU  19 -18.047 -10.269   2.526
  110    H    LYS  20           H        LYS  20 -21.625  -9.186  -0.319
  111    HA   LYS  20           HA       LYS  20 -24.146  -7.741  -0.389
  112   1HB   LYS  20          2HB       LYS  20 -25.058  -9.938  -1.127
  113   2HB   LYS  20          1HB       LYS  20 -23.596  -9.552  -2.013
  114   1HG   LYS  20          2HG       LYS  20 -22.283 -11.051  -0.480
  115   2HG   LYS  20          1HG       LYS  20 -23.773 -11.469   0.351
  116   1HD   LYS  20          2HD       LYS  20 -24.725 -12.381  -1.736
  117   2HD   LYS  20          1HD       LYS  20 -23.244 -11.980  -2.590
  118   1HE   LYS  20          2HE       LYS  20 -23.233 -14.365  -1.891
  119   2HE   LYS  20          1HE       LYS  20 -21.958 -13.481  -1.065
  120   1HZ   LYS  20          1HZ       LYS  20 -24.615 -13.791   0.167
  121   2HZ   LYS  20          2HZ       LYS  20 -23.121 -13.478   0.909
  122   3HZ   LYS  20          3HZ       LYS  20 -23.450 -15.022   0.282
  123    H    ILE  21           H        ILE  21 -22.631 -10.253   1.583
  124    HA   ILE  21           HA       ILE  21 -24.198  -9.527   3.953
  125    HB   ILE  21           HB       ILE  21 -23.954 -12.328   2.772
  126   1HG1  ILE  21          2HG1      ILE  21 -26.446 -10.608   3.197
  127   2HG1  ILE  21          1HG1      ILE  21 -25.719 -10.977   1.645
  128   1HG2  ILE  21          1HG2      ILE  21 -25.232 -11.379   5.367
  129   2HG2  ILE  21          2HG2      ILE  21 -23.755 -12.325   5.235
  130   3HG2  ILE  21          3HG2      ILE  21 -25.285 -13.037   4.774
  131   1HD1  ILE  21          1HD1      ILE  21 -26.933 -13.052   3.506
  132   2HD1  ILE  21          2HD1      ILE  21 -26.173 -13.381   1.956
  133   3HD1  ILE  21          3HD1      ILE  21 -27.648 -12.432   2.033
  134    H    GLY  22           H        GLY  22 -22.551  -9.055   5.354
  135   1HA   GLY  22          2HA       GLY  22 -20.827  -9.640   6.836
  136   2HA   GLY  22          1HA       GLY  22 -20.410 -10.948   5.760
  137    H    TYR  23           H        TYR  23 -20.788  -7.560   5.308
  138    HA   TYR  23           HA       TYR  23 -19.049  -6.716   3.439
  139   1HB   TYR  23          2HB       TYR  23 -19.154  -5.220   6.034
  140   2HB   TYR  23          1HB       TYR  23 -19.004  -4.577   4.414
  141    HD1  TYR  23           1HD      TYR  23 -21.010  -5.030   2.741
  142    HD2  TYR  23           2HD      TYR  23 -21.299  -5.480   6.953
  143    HE1  TYR  23           1HE      TYR  23 -23.445  -4.887   2.585
  144    HE2  TYR  23           2HE      TYR  23 -23.743  -5.338   6.803
  145    HH   TYR  23           HH       TYR  23 -25.507  -5.682   5.173
  146    H    GLU  24           H        GLU  24 -16.995  -5.878   3.247
  147    HA   GLU  24           HA       GLU  24 -14.989  -7.088   5.047
  148   1HB   GLU  24          2HB       GLU  24 -14.953  -6.375   2.149
  149   2HB   GLU  24          1HB       GLU  24 -13.556  -6.980   3.007
  150   1HG   GLU  24          2HG       GLU  24 -14.997  -8.946   3.661
  151   2HG   GLU  24          1HG       GLU  24 -16.262  -8.256   2.633
  152    H    CYS  25           H        CYS  25 -12.912  -6.250   4.964
  153    HA   CYS  25           HA       CYS  25 -12.617  -3.372   5.020
  154   1HB   CYS  25          2HB       CYS  25 -12.852  -4.143   7.408
  155   2HB   CYS  25          1HB       CYS  25 -11.603  -5.348   7.118
  156    H    LEU  26           H        LEU  26 -11.558  -3.739   2.913
  157    HA   LEU  26           HA       LEU  26  -9.220  -5.511   2.835
  158   1HB   LEU  26          2HB       LEU  26 -10.110  -3.445   0.784
  159   2HB   LEU  26          1HB       LEU  26  -9.084  -4.819   0.551
  160    HG   LEU  26           HG       LEU  26 -12.019  -4.985   1.254
  161   1HD1  LEU  26          1HD1      LEU  26 -11.659  -4.185  -1.050
  162   2HD1  LEU  26          2HD1      LEU  26 -12.265  -5.827  -1.100
  163   3HD1  LEU  26          3HD1      LEU  26 -10.567  -5.523  -1.372
  164   1HD2  LEU  26          1HD2      LEU  26 -11.836  -7.395   0.793
  165   2HD2  LEU  26          2HD2      LEU  26 -10.813  -6.937   2.141
  166   3HD2  LEU  26          3HD2      LEU  26 -10.102  -7.228   0.558
  167    H    CYS  27           H        CYS  27  -7.500  -3.984   1.357
  168    HA   CYS  27           HA       CYS  27  -6.232  -2.387   3.417
  169   1HB   CYS  27          2HB       CYS  27  -5.427  -3.243   0.674
  170   2HB   CYS  27          1HB       CYS  27  -4.471  -2.114   1.576
  171    HA   PRO  28           HA       PRO  28  -7.407   1.547   1.716
  172   1HB   PRO  28          2HB       PRO  28  -5.687   3.122   3.194
  173   2HB   PRO  28          1HB       PRO  28  -7.145   2.432   3.835
  174   1HG   PRO  28          2HG       PRO  28  -4.382   1.686   4.376
  175   2HG   PRO  28          1HG       PRO  28  -5.842   1.339   5.302
  176   1HD   PRO  28          2HD       PRO  28  -4.400  -0.416   3.555
  177   2HD   PRO  28          1HD       PRO  28  -5.876  -0.733   4.490
  178    H    ASP  29           H        ASP  29  -3.969   1.612   2.428
  179    HA   ASP  29           HA       ASP  29  -3.328   2.833  -0.160
  180   1HB   ASP  29          2HB       ASP  29  -1.160   3.214   0.855
  181   2HB   ASP  29          1HB       ASP  29  -2.369   3.612   2.048
  182    H    GLY  30           H        GLY  30  -0.722   1.761  -0.420
  183   1HA   GLY  30          2HA       GLY  30  -1.177  -0.478  -2.044
  184   2HA   GLY  30          1HA       GLY  30   0.385   0.166  -1.618
  185    H    PHE  31           H        PHE  31  -0.348  -0.385   1.319
  186    HA   PHE  31           HA       PHE  31   1.133  -2.715   1.747
  187   1HB   PHE  31          2HB       PHE  31  -1.021  -1.381   3.392
  188   2HB   PHE  31          1HB       PHE  31  -0.006  -2.646   4.010
  189    HD1  PHE  31           1HD      PHE  31   1.998  -0.822   1.671
  190    HD2  PHE  31           2HD      PHE  31   0.404  -0.528   5.630
  191    HE1  PHE  31           1HE      PHE  31   3.733   0.738   2.248
  192    HE2  PHE  31           2HE      PHE  31   2.182   1.058   6.191
  193    HZ   PHE  31           HZ       PHE  31   3.857   1.681   4.485
  194    H    GLN  32           H        GLN  32   0.412  -4.628   3.058
  195    HA   GLN  32           HA       GLN  32  -1.747  -6.037   1.602
  196   1HB   GLN  32          2HB       GLN  32   0.839  -7.039   2.785
  197   2HB   GLN  32          1HB       GLN  32  -0.406  -8.059   2.147
  198   1HG   GLN  32          2HG       GLN  32   1.343  -7.741   0.442
  199   2HG   GLN  32          1HG       GLN  32  -0.117  -6.938  -0.105
  200   1HE2  GLN  32          1HE2      GLN  32   0.617  -5.146  -1.236
  201   2HE2  GLN  32          2HE2      GLN  32   1.743  -4.022  -0.644
  202    H    LEU  33           H        LEU  33  -3.426  -6.722   2.682
  203    HA   LEU  33           HA       LEU  33  -3.452  -6.731   5.639
  204   1HB   LEU  33          2HB       LEU  33  -5.312  -5.785   4.190
  205   2HB   LEU  33          1HB       LEU  33  -5.623  -7.397   3.593
  206    HG   LEU  33           HG       LEU  33  -5.834  -6.585   6.535
  207   1HD1  LEU  33          1HD1      LEU  33  -7.485  -5.403   5.123
  208   2HD1  LEU  33          2HD1      LEU  33  -8.274  -6.607   6.128
  209   3HD1  LEU  33          3HD1      LEU  33  -8.002  -6.928   4.421
  210   1HD2  LEU  33          1HD2      LEU  33  -6.890  -9.059   5.082
  211   2HD2  LEU  33          2HD2      LEU  33  -7.161  -8.653   6.757
  212   3HD2  LEU  33          3HD2      LEU  33  -5.554  -9.071   6.224
  213    H    VAL  34           H        VAL  34  -2.331  -8.255   6.354
  214    HA   VAL  34           HA       VAL  34  -2.675 -11.060   5.409
  215    HB   VAL  34           HB       VAL  34  -0.412 -10.161   5.170
  216   1HG1  VAL  34          1HG1      VAL  34  -0.509  -9.739   8.175
  217   2HG1  VAL  34          2HG1      VAL  34  -0.485  -8.472   6.953
  218   3HG1  VAL  34          3HG1      VAL  34   0.904  -9.532   7.150
  219   1HG2  VAL  34          1HG2      VAL  34  -0.592 -12.216   7.418
  220   2HG2  VAL  34          2HG2      VAL  34   0.821 -11.909   6.425
  221   3HG2  VAL  34          3HG2      VAL  34  -0.634 -12.570   5.699
  222    H    ALA  35           H        ALA  35  -2.676  -8.978   8.232
  223    HA   ALA  35           HA       ALA  35  -3.119 -11.104  10.074
  224   1HB   ALA  35          1HB       ALA  35  -3.337  -8.074  10.388
  225   2HB   ALA  35          2HB       ALA  35  -1.916  -9.042  10.751
  226   3HB   ALA  35          3HB       ALA  35  -3.359  -9.197  11.739
  227    H    GLN  36           H        GLN  36  -4.963 -10.943   8.006
  228    HA   GLN  36           HA       GLN  36  -7.226 -11.027   7.465
  229   1HB   GLN  36          2HB       GLN  36  -7.430 -11.855  10.382
  230   2HB   GLN  36          1HB       GLN  36  -8.632 -12.155   9.151
  231   1HG   GLN  36          2HG       GLN  36  -6.978 -13.504   7.825
  232   2HG   GLN  36          1HG       GLN  36  -5.765 -13.238   9.070
  233   1HE2  GLN  36          1HE2      GLN  36  -7.932 -15.505   8.028
  234   2HE2  GLN  36          2HE2      GLN  36  -8.216 -16.318   9.490
  235    H    ARG  37           H        ARG  37  -6.266  -8.423   8.959
  236    HA   ARG  37           HA       ARG  37  -8.949  -7.283   8.932
  237   1HB   ARG  37          2HB       ARG  37  -8.393  -8.470  11.281
  238   2HB   ARG  37          1HB       ARG  37  -7.436  -7.042  11.561
  239   1HG   ARG  37          2HG       ARG  37  -9.586  -6.615  12.535
  240   2HG   ARG  37          1HG       ARG  37  -9.532  -5.661  11.057
  241   1HD   ARG  37          2HD       ARG  37 -10.739  -7.548   9.834
  242   2HD   ARG  37          1HD       ARG  37 -10.756  -8.446  11.338
  243    HE   ARG  37           HE       ARG  37 -11.945  -5.770  11.547
  244   1HH1  ARG  37          2HH1      ARG  37 -12.483  -9.118  10.810
  245   2HH1  ARG  37          1HH1      ARG  37 -14.178  -9.032  11.145
  246   1HH2  ARG  37          1HH2      ARG  37 -14.087  -5.643  11.974
  247   2HH2  ARG  37          2HH2      ARG  37 -15.101  -7.038  11.813
  248    H    ARG  38           H        ARG  38  -5.823  -6.609  10.418
  249    HA   ARG  38           HA       ARG  38  -5.794  -3.845   9.508
  250   1HB   ARG  38          2HB       ARG  38  -3.762  -5.519  11.009
  251   2HB   ARG  38          1HB       ARG  38  -3.676  -3.789  10.784
  252   1HG   ARG  38          2HG       ARG  38  -5.804  -3.487  12.034
  253   2HG   ARG  38          1HG       ARG  38  -5.949  -5.225  12.233
  254   1HD   ARG  38          2HD       ARG  38  -3.652  -3.538  13.315
  255   2HD   ARG  38          1HD       ARG  38  -4.980  -4.193  14.275
  256    HE   ARG  38           HE       ARG  38  -3.899  -6.399  12.959
  257   1HH1  ARG  38          2HH1      ARG  38  -2.749  -3.934  15.107
  258   2HH1  ARG  38          1HH1      ARG  38  -1.538  -4.953  15.811
  259   1HH2  ARG  38          1HH2      ARG  38  -2.379  -7.706  13.835
  260   2HH2  ARG  38          2HH2      ARG  38  -1.325  -7.124  15.080
  261    H    CYS  39           H        CYS  39  -4.733  -3.046   7.800
  262    HA   CYS  39           HA       CYS  39  -3.216  -4.931   6.082
  263   1HB   CYS  39          2HB       CYS  39  -4.998  -3.523   5.070
  264   2HB   CYS  39          1HB       CYS  39  -4.083  -2.099   5.509
  265    H    GLU  40           H        GLU  40  -1.122  -4.803   5.716
  266    HA   GLU  40           HA       GLU  40   0.458  -2.428   6.302
  267   1HB   GLU  40          2HB       GLU  40   0.151  -3.418   8.570
  268   2HB   GLU  40          1HB       GLU  40   0.825  -4.931   7.998
  269   1HG   GLU  40          2HG       GLU  40   2.988  -3.783   7.508
  270   2HG   GLU  40          1HG       GLU  40   2.309  -2.259   8.055
  271    H    ASP  41           H        ASP  41   2.584  -2.544   5.521
  272    HA   ASP  41           HA       ASP  41   3.053  -4.676   3.536
  273   1HB   ASP  41          2HB       ASP  41   3.071  -2.460   2.761
  274   2HB   ASP  41          1HB       ASP  41   4.256  -1.919   3.935
  275    H    ILE  42           H        ILE  42   5.153  -5.420   3.230
  276    HA   ILE  42           HA       ILE  42   6.322  -6.363   5.644
  277    HB   ILE  42           HB       ILE  42   6.273  -7.739   3.555
  278   1HG1  ILE  42          2HG1      ILE  42   8.609  -8.555   3.486
  279   2HG1  ILE  42          1HG1      ILE  42   9.167  -7.138   4.342
  280   1HG2  ILE  42          1HG2      ILE  42   8.236  -5.695   2.432
  281   2HG2  ILE  42          2HG2      ILE  42   6.578  -5.917   1.904
  282   3HG2  ILE  42          3HG2      ILE  42   7.756  -7.185   1.644
  283   1HD1  ILE  42          1HD1      ILE  42   7.231  -9.236   5.419
  284   2HD1  ILE  42          2HD1      ILE  42   7.755  -7.818   6.315
  285   3HD1  ILE  42          3HD1      ILE  42   8.915  -9.057   5.882
  286    H    ASP  43           H        ASP  43   8.682  -6.046   6.169
  287    HA   ASP  43           HA       ASP  43   9.556  -3.229   5.616
  288   1HB   ASP  43          2HB       ASP  43   9.107  -4.025   8.005
  289   2HB   ASP  43          1HB       ASP  43  10.462  -5.123   7.823
  290    H    GLU  44           H        GLU  44  10.940  -3.166   4.075
  291    HA   GLU  44           HA       GLU  44  12.409  -5.444   3.111
  292   1HB   GLU  44          2HB       GLU  44  12.862  -2.525   2.495
  293   2HB   GLU  44          1HB       GLU  44  13.352  -3.886   1.515
  294   1HG   GLU  44          2HG       GLU  44  11.430  -2.930   0.528
  295   2HG   GLU  44          1HG       GLU  44  10.904  -4.468   1.169
  296    H    CYS  45           H        CYS  45  13.094  -2.820   5.327
  297    HA   CYS  45           HA       CYS  45  15.911  -3.016   5.202
  298   1HB   CYS  45          2HB       CYS  45  14.083  -1.897   7.322
  299   2HB   CYS  45          1HB       CYS  45  15.786  -1.848   7.444
  300    H    GLN  46           H        GLN  46  13.800  -3.815   7.800
  301    HA   GLN  46           HA       GLN  46  15.297  -5.149   9.611
  302   1HB   GLN  46          2HB       GLN  46  12.515  -5.820   8.626
  303   2HB   GLN  46          1HB       GLN  46  13.200  -6.508  10.071
  304   1HG   GLN  46          2HG       GLN  46  12.884  -3.510   9.553
  305   2HG   GLN  46          1HG       GLN  46  11.785  -4.454  10.549
  306   1HE2  GLN  46          1HE2      GLN  46  12.924  -5.619  12.460
  307   2HE2  GLN  46          2HE2      GLN  46  14.187  -4.780  13.224
  308    H    ASP  47           H        ASP  47  14.149  -6.631   6.654
  309    HA   ASP  47           HA       ASP  47  15.124  -9.220   7.351
  310   1HB   ASP  47          2HB       ASP  47  13.209  -8.946   5.803
  311   2HB   ASP  47          1HB       ASP  47  14.247  -8.115   4.653
  312    HA   PRO  48           HA       PRO  48  19.294  -8.067   6.052
  313   1HB   PRO  48          2HB       PRO  48  20.577 -10.344   6.702
  314   2HB   PRO  48          1HB       PRO  48  19.918  -9.292   7.932
  315   1HG   PRO  48          2HG       PRO  48  18.726 -11.792   6.805
  316   2HG   PRO  48          1HG       PRO  48  18.851 -11.274   8.495
  317   1HD   PRO  48          2HD       PRO  48  16.593 -10.985   6.986
  318   2HD   PRO  48          1HD       PRO  48  17.006  -9.938   8.355
  319    H    ASP  49           H        ASP  49  18.318  -7.986   3.878
  320    HA   ASP  49           HA       ASP  49  19.760  -9.788   2.053
  321   1HB   ASP  49          2HB       ASP  49  17.506 -10.821   2.328
  322   2HB   ASP  49          1HB       ASP  49  16.780  -9.258   1.964
  323    H    THR  50           H        THR  50  17.765  -7.013   2.671
  324    HA   THR  50           HA       THR  50  18.219  -5.637   0.184
  325    HB   THR  50           HB       THR  50  17.250  -4.593   2.918
  326    HG1  THR  50           1HG      THR  50  15.904  -6.124   2.178
  327   1HG2  THR  50          1HG2      THR  50  16.172  -2.826   1.558
  328   2HG2  THR  50          2HG2      THR  50  16.780  -3.534   0.068
  329   3HG2  THR  50          3HG2      THR  50  17.886  -2.761   1.191
  330    H    CYS  51           H        CYS  51  19.084  -4.067   3.214
  331    HA   CYS  51           HA       CYS  51  21.555  -3.032   2.019
  332   1HB   CYS  51          2HB       CYS  51  20.496  -2.677   4.822
  333   2HB   CYS  51          1HB       CYS  51  21.522  -1.598   3.917
  334    H    SER  52           H        SER  52  23.744  -3.346   3.188
  335    HA   SER  52           HA       SER  52  24.070  -6.109   3.936
  336   1HB   SER  52          2HB       SER  52  25.903  -4.761   2.857
  337   2HB   SER  52          1HB       SER  52  25.987  -3.750   4.311
  338    HG   SER  52           HG       SER  52  26.400  -5.635   5.511
  339    H    GLN  53           H        GLN  53  23.523  -3.135   5.619
  340    HA   GLN  53           HA       GLN  53  23.264  -4.593   8.182
  341   1HB   GLN  53          2HB       GLN  53  24.953  -2.143   7.701
  342   2HB   GLN  53          1HB       GLN  53  24.467  -2.655   9.296
  343   1HG   GLN  53          2HG       GLN  53  26.081  -4.277   7.323
  344   2HG   GLN  53          1HG       GLN  53  26.734  -3.382   8.695
  345   1HE2  GLN  53          1HE2      GLN  53  25.128  -4.008  10.793
  346   2HE2  GLN  53          2HE2      GLN  53  25.078  -5.682  11.067
  347    H    LEU  54           H        LEU  54  23.415  -1.168   8.351
  348    HA   LEU  54           HA       LEU  54  20.787  -0.984   9.415
  349   1HB   LEU  54          2HB       LEU  54  22.779   0.102  10.274
  350   2HB   LEU  54          1HB       LEU  54  23.039   0.916   8.756
  351    HG   LEU  54           HG       LEU  54  20.465   1.422  10.303
  352   1HD1  LEU  54          1HD1      LEU  54  21.675   3.323  11.347
  353   2HD1  LEU  54          2HD1      LEU  54  23.175   2.840  10.558
  354   3HD1  LEU  54          3HD1      LEU  54  22.467   1.818  11.801
  355   1HD2  LEU  54          1HD2      LEU  54  20.719   3.571   9.071
  356   2HD2  LEU  54          2HD2      LEU  54  20.850   2.275   7.902
  357   3HD2  LEU  54          3HD2      LEU  54  22.302   3.039   8.504
  358    H    CYS  55           H        CYS  55  19.261   0.439   8.750
  359    HA   CYS  55           HA       CYS  55  19.103   1.448   6.011
  360   1HB   CYS  55          2HB       CYS  55  18.748  -0.976   5.733
  361   2HB   CYS  55          1HB       CYS  55  17.531  -0.995   6.924
  362    H    VAL  56           H        VAL  56  16.547   1.937   5.692
  363    HA   VAL  56           HA       VAL  56  15.265   2.884   8.158
  364    HB   VAL  56           HB       VAL  56  16.837   4.718   7.685
  365   1HG1  VAL  56          1HG1      VAL  56  16.811   6.016   5.590
  366   2HG1  VAL  56          2HG1      VAL  56  15.659   4.912   4.876
  367   3HG1  VAL  56          3HG1      VAL  56  17.273   4.356   5.286
  368   1HG2  VAL  56          1HG2      VAL  56  14.011   5.487   6.857
  369   2HG2  VAL  56          2HG2      VAL  56  15.249   6.604   7.406
  370   3HG2  VAL  56          3HG2      VAL  56  14.619   5.385   8.501
  371    H    ASN  57           H        ASN  57  13.588   1.684   7.764
  372    HA   ASN  57           HA       ASN  57  12.208   1.566   5.188
  373   1HB   ASN  57          2HB       ASN  57  12.447  -0.463   6.583
  374   2HB   ASN  57          1HB       ASN  57  11.533   0.311   7.868
  375   1HD2  ASN  57          1HD2      ASN  57   9.527  -0.695   7.920
  376   2HD2  ASN  57          2HD2      ASN  57   8.561  -1.009   6.559
  377    H    LEU  58           H        LEU  58   9.996   1.763   5.044
  378    HA   LEU  58           HA       LEU  58   8.208   3.261   6.695
  379   1HB   LEU  58          2HB       LEU  58   8.065   5.375   5.440
  380   2HB   LEU  58          1HB       LEU  58   9.656   5.198   6.096
  381    HG   LEU  58           HG       LEU  58   9.047   4.512   3.185
  382   1HD1  LEU  58          1HD1      LEU  58  10.019   6.736   2.672
  383   2HD1  LEU  58          2HD1      LEU  58  10.175   7.094   4.387
  384   3HD1  LEU  58          3HD1      LEU  58   8.582   6.933   3.662
  385   1HD2  LEU  58          1HD2      LEU  58  11.503   4.818   2.990
  386   2HD2  LEU  58          2HD2      LEU  58  11.148   3.556   4.142
  387   3HD2  LEU  58          3HD2      LEU  58  11.617   5.154   4.699
  388    H    GLU  59           H        GLU  59   6.902   4.434   4.496
  389    HA   GLU  59           HA       GLU  59   5.420   2.145   3.581
  390   1HB   GLU  59          2HB       GLU  59   4.340   4.425   4.046
  391   2HB   GLU  59          1HB       GLU  59   5.233   5.088   2.691
  392   1HG   GLU  59          2HG       GLU  59   3.969   3.561   1.121
  393   2HG   GLU  59          1HG       GLU  59   3.118   2.886   2.490
  394    H    GLY  60           H        GLY  60   6.839   0.967   2.761
  395   1HA   GLY  60          2HA       GLY  60   7.905  -0.148   1.120
  396   2HA   GLY  60          1HA       GLY  60   6.793   0.681   0.041
  397    H    GLY  61           H        GLY  61   8.360   3.078   1.526
  398   1HA   GLY  61          2HA       GLY  61  10.162   3.615  -0.735
  399   2HA   GLY  61          1HA       GLY  61   9.751   4.724   0.562
  400    H    TYR  62           H        TYR  62  10.739   1.834   1.770
  401    HA   TYR  62           HA       TYR  62  12.812   2.526   3.359
  402   1HB   TYR  62          2HB       TYR  62  13.648   0.238   3.314
  403   2HB   TYR  62          1HB       TYR  62  11.905   0.195   3.114
  404    HD1  TYR  62           1HD      TYR  62  15.063  -0.652   1.663
  405    HD2  TYR  62           2HD      TYR  62  11.000   0.090   0.654
  406    HE1  TYR  62           1HE      TYR  62  15.413  -1.730  -0.494
  407    HE2  TYR  62           2HE      TYR  62  11.346  -0.990  -1.515
  408    HH   TYR  62           HH       TYR  62  14.461  -2.453  -2.375
  409    H    LYS  63           H        LYS  63  14.932   3.103   3.358
  410    HA   LYS  63           HA       LYS  63  16.453   2.920   0.821
  411   1HB   LYS  63          2HB       LYS  63  16.539   5.112   2.878
  412   2HB   LYS  63          1HB       LYS  63  17.460   5.004   1.441
  413   1HG   LYS  63          2HG       LYS  63  14.431   5.314   1.512
  414   2HG   LYS  63          1HG       LYS  63  15.545   6.610   1.170
  415   1HD   LYS  63          2HD       LYS  63  15.165   4.120  -0.563
  416   2HD   LYS  63          1HD       LYS  63  14.569   5.720  -0.922
  417   1HE   LYS  63          2HE       LYS  63  17.518   4.948  -0.702
  418   2HE   LYS  63          1HE       LYS  63  16.637   5.278  -2.181
  419   1HZ   LYS  63          1HZ       LYS  63  17.840   7.207  -1.555
  420   2HZ   LYS  63          2HZ       LYS  63  17.174   7.190   0.008
  421   3HZ   LYS  63          3HZ       LYS  63  16.184   7.518  -1.332
  422    H    CYS  64           H        CYS  64  18.677   2.772   1.165
  423    HA   CYS  64           HA       CYS  64  19.430   1.443   3.702
  424   1HB   CYS  64          2HB       CYS  64  20.750   1.444   1.015
  425   2HB   CYS  64          1HB       CYS  64  21.364   0.666   2.418
  426    H    GLN  65           H        GLN  65  21.459   1.699   4.502
  427    HA   GLN  65           HA       GLN  65  23.110   4.056   3.891
  428   1HB   GLN  65          2HB       GLN  65  21.962   3.692   6.673
  429   2HB   GLN  65          1HB       GLN  65  22.960   5.005   6.132
  430   1HG   GLN  65          2HG       GLN  65  21.184   5.857   4.647
  431   2HG   GLN  65          1HG       GLN  65  20.121   4.541   5.140
  432   1HE2  GLN  65          1HE2      GLN  65  18.960   4.768   7.055
  433   2HE2  GLN  65          2HE2      GLN  65  19.126   6.083   8.116
  434    H    CYS  66           H        CYS  66  24.671   3.949   6.117
  435    HA   CYS  66           HA       CYS  66  25.699   1.142   6.153
  436   1HB   CYS  66          2HB       CYS  66  27.206   3.713   6.643
  437   2HB   CYS  66          1HB       CYS  66  27.825   2.174   6.428
  438    H    GLU  67           H        GLU  67  26.689   0.423   7.894
  439    HA   GLU  67           HA       GLU  67  25.413   1.108  10.452
  440   1HB   GLU  67          2HB       GLU  67  25.674  -1.207   9.546
  441   2HB   GLU  67          1HB       GLU  67  27.396  -1.105   9.747
  442   1HG   GLU  67          2HG       GLU  67  26.433  -2.313  11.663
  443   2HG   GLU  67          1HG       GLU  67  27.058  -0.782  12.243
  444    H    GLU  68           H        GLU  68  26.773   3.215  10.008
  445    HA   GLU  68           HA       GLU  68  28.427   4.668  10.772
  446   1HB   GLU  68          2HB       GLU  68  28.889   2.413  12.802
  447   2HB   GLU  68          1HB       GLU  68  29.551   4.021  12.929
  448   1HG   GLU  68          2HG       GLU  68  27.235   4.960  12.984
  449   2HG   GLU  68          1HG       GLU  68  26.565   3.349  12.772
  450    H    GLY  69           H        GLY  69  30.189   1.739  11.564
  451   1HA   GLY  69          2HA       GLY  69  32.663   2.478  10.529
  452   2HA   GLY  69          1HA       GLY  69  32.184   0.818  10.851
  453    H    PHE  70           H        PHE  70  29.906   1.154   8.909
  454    HA   PHE  70           HA       PHE  70  31.319   0.248   6.614
  455   1HB   PHE  70          2HB       PHE  70  28.432   0.635   7.313
  456   2HB   PHE  70          1HB       PHE  70  28.869   0.217   5.662
  457    HD1  PHE  70           1HD      PHE  70  30.516  -1.095   8.772
  458    HD2  PHE  70           2HD      PHE  70  27.831  -1.907   5.570
  459    HE1  PHE  70           1HE      PHE  70  30.490  -3.453   9.404
  460    HE2  PHE  70           2HE      PHE  70  27.826  -4.268   6.195
  461    HZ   PHE  70           HZ       PHE  70  29.148  -5.057   8.110
  462    H    GLN  71           H        GLN  71  31.014   1.145   4.451
  463    HA   GLN  71           HA       GLN  71  30.433   4.000   4.322
  464   1HB   GLN  71          2HB       GLN  71  32.951   2.531   3.668
  465   2HB   GLN  71          1HB       GLN  71  32.538   3.860   2.647
  466   1HG   GLN  71          2HG       GLN  71  32.781   4.006   5.701
  467   2HG   GLN  71          1HG       GLN  71  33.998   4.590   4.568
  468   1HE2  GLN  71          1HE2      GLN  71  32.763   6.386   6.367
  469   2HE2  GLN  71          2HE2      GLN  71  31.771   7.457   5.499
  470    H    LEU  72           H        LEU  72  30.658   4.779   2.144
  471    HA   LEU  72           HA       LEU  72  28.687   3.338   0.523
  472   1HB   LEU  72          2HB       LEU  72  28.646   5.819   0.771
  473   2HB   LEU  72          1HB       LEU  72  30.169   5.919  -0.089
  474    HG   LEU  72           HG       LEU  72  29.043   4.695  -2.030
  475   1HD1  LEU  72          1HD1      LEU  72  27.159   3.672  -0.810
  476   2HD1  LEU  72          2HD1      LEU  72  26.574   4.692  -2.110
  477   3HD1  LEU  72          3HD1      LEU  72  26.509   5.263  -0.453
  478   1HD2  LEU  72          1HD2      LEU  72  29.345   7.157  -2.046
  479   2HD2  LEU  72          2HD2      LEU  72  27.823   7.362  -1.189
  480   3HD2  LEU  72          3HD2      LEU  72  27.834   6.720  -2.827
  481    H    ASP  73           H        ASP  73  29.532   1.576  -0.378
  482    HA   ASP  73           HA       ASP  73  32.157   1.441  -1.613
  483   1HB   ASP  73          2HB       ASP  73  31.041  -0.615  -0.734
  484   2HB   ASP  73          1HB       ASP  73  29.774  -0.446  -1.934
  485    HA   PRO  74           HA       PRO  74  30.695   3.379  -5.410
  486   1HB   PRO  74          2HB       PRO  74  32.946   3.182  -6.896
  487   2HB   PRO  74          1HB       PRO  74  32.835   4.291  -5.550
  488   1HG   PRO  74          2HG       PRO  74  34.053   1.556  -5.596
  489   2HG   PRO  74          1HG       PRO  74  34.711   3.062  -4.927
  490   1HD   PRO  74          2HD       PRO  74  33.526   1.207  -3.384
  491   2HD   PRO  74          1HD       PRO  74  33.417   2.938  -3.021
  492    H    HIS  75           H        HIS  75  30.558   2.841  -7.709
  493    HA   HIS  75           HA       HIS  75  29.891   1.489  -9.472
  494   1HB   HIS  75          2HB       HIS  75  31.563  -0.673  -8.095
  495   2HB   HIS  75          1HB       HIS  75  31.009  -0.689  -9.760
  496    HD1  HIS  75           1HD      HIS  75  33.376   1.163  -7.574
  497    HD2  HIS  75           2HD      HIS  75  32.522   0.860 -11.554
  498    HE1  HIS  75           1HE      HIS  75  35.176   2.361  -8.763
  499    H    THR  76           H        THR  76  28.933   1.067  -6.452
  500    HA   THR  76           HA       THR  76  26.686  -0.737  -7.152
  501    HB   THR  76           HB       THR  76  26.949  -1.870  -4.882
  502    HG1  THR  76           1HG      THR  76  28.836  -1.392  -3.780
  503   1HG2  THR  76          1HG2      THR  76  28.990  -3.219  -5.393
  504   2HG2  THR  76          2HG2      THR  76  29.581  -1.986  -6.492
  505   3HG2  THR  76          3HG2      THR  76  28.168  -2.937  -6.919
  506    H    LYS  77           H        LYS  77  28.161   1.462  -5.020
  507    HA   LYS  77           HA       LYS  77  27.425   3.253  -3.711
  508   1HB   LYS  77          2HB       LYS  77  24.897   2.805  -5.109
  509   2HB   LYS  77          1HB       LYS  77  25.253   4.244  -4.191
  510   1HG   LYS  77          2HG       LYS  77  27.210   4.689  -5.716
  511   2HG   LYS  77          1HG       LYS  77  26.744   3.315  -6.700
  512   1HD   LYS  77          2HD       LYS  77  25.044   5.795  -6.206
  513   2HD   LYS  77          1HD       LYS  77  25.927   5.436  -7.676
  514   1HE   LYS  77          2HE       LYS  77  24.534   3.395  -8.031
  515   2HE   LYS  77          1HE       LYS  77  23.632   3.754  -6.563
  516   1HZ   LYS  77          1HZ       LYS  77  23.811   5.524  -8.925
  517   2HZ   LYS  77          2HZ       LYS  77  22.926   5.826  -7.508
  518   3HZ   LYS  77          3HZ       LYS  77  22.493   4.532  -8.519
  519    H    ALA  78           H        ALA  78  26.937   0.288  -3.207
  520    HA   ALA  78           HA       ALA  78  24.774   0.340  -1.180
  521   1HB   ALA  78          1HB       ALA  78  25.134  -2.122  -1.144
  522   2HB   ALA  78          2HB       ALA  78  26.497  -1.942  -2.239
  523   3HB   ALA  78          3HB       ALA  78  24.872  -1.561  -2.788
  524    H    CYS  79           H        CYS  79  25.198  -0.111   0.986
  525    HA   CYS  79           HA       CYS  79  27.869   0.651   1.884
  526   1HB   CYS  79          2HB       CYS  79  25.334   0.101   3.359
  527   2HB   CYS  79          1HB       CYS  79  26.827   0.441   4.181
  528    H    LYS  80           H        LYS  80  29.249  -0.381   3.082
  529    HA   LYS  80           HA       LYS  80  28.777  -3.044   4.169
  530   1HB   LYS  80          2HB       LYS  80  30.557  -4.068   3.199
  531   2HB   LYS  80          1HB       LYS  80  29.417  -3.702   1.892
  532   1HG   LYS  80          2HG       LYS  80  30.873  -1.622   1.386
  533   2HG   LYS  80          1HG       LYS  80  32.061  -2.245   2.516
  534   1HD   LYS  80          2HD       LYS  80  32.219  -4.341   1.153
  535   2HD   LYS  80          1HD       LYS  80  31.146  -3.607  -0.034
  536   1HE   LYS  80          2HE       LYS  80  32.791  -1.676  -0.217
  537   2HE   LYS  80          1HE       LYS  80  33.854  -2.549   0.862
  538   1HZ   LYS  80          1HZ       LYS  80  33.695  -4.436  -0.777
  539   2HZ   LYS  80          2HZ       LYS  80  34.590  -3.070  -1.247
  540   3HZ   LYS  80          3HZ       LYS  80  33.024  -3.305  -1.855
  541    H    ALA  81           H        ALA  81  30.958  -3.724   5.324
  542    HA   ALA  81           HA       ALA  81  31.991  -1.722   7.003
  543   1HB   ALA  81          1HB       ALA  81  33.374  -4.267   6.092
  544   2HB   ALA  81          2HB       ALA  81  32.249  -4.141   7.433
  545   3HB   ALA  81          3HB       ALA  81  33.806  -3.332   7.517
  546    H    VAL  82           H        VAL  82  33.364  -0.055   6.759
  547    HA   VAL  82           HA       VAL  82  34.415   0.784   4.349
  548    HB   VAL  82           HB       VAL  82  34.226   2.216   6.355
  549   1HG1  VAL  82          1HG1      VAL  82  35.906   2.065   8.185
  550   2HG1  VAL  82          2HG1      VAL  82  36.637   0.664   7.424
  551   3HG1  VAL  82          3HG1      VAL  82  35.018   0.559   8.074
  552   1HG2  VAL  82          1HG2      VAL  82  37.080   2.107   5.308
  553   2HG2  VAL  82          2HG2      VAL  82  36.346   3.464   6.143
  554   3HG2  VAL  82          3HG2      VAL  82  35.742   2.972   4.571
  Start of MODEL    9
    1    H    GLY   1           H        GLY   1 -26.003   4.109  -1.450
    2   1HA   GLY   1          2HA       GLY   1 -24.593   1.644  -1.792
    3   2HA   GLY   1          1HA       GLY   1 -23.436   2.974  -1.713
    4    H    THR   2           H        THR   2 -24.031   0.731   0.147
    5    HA   THR   2           HA       THR   2 -25.332   1.537   2.467
    6    HB   THR   2           HB       THR   2 -24.746  -0.766   2.085
    7    HG1  THR   2           1HG      THR   2 -23.783  -1.156   4.124
    8   1HG2  THR   2          1HG2      THR   2 -21.870   0.154   2.560
    9   2HG2  THR   2          2HG2      THR   2 -22.482  -0.336   0.988
   10   3HG2  THR   2          3HG2      THR   2 -22.381  -1.509   2.289
   11    H    ASN   3           H        ASN   3 -24.271   1.780   4.579
   12    HA   ASN   3           HA       ASN   3 -22.338   4.018   4.473
   13   1HB   ASN   3          2HB       ASN   3 -24.551   4.236   5.719
   14   2HB   ASN   3          1HB       ASN   3 -24.054   2.928   6.775
   15   1HD2  ASN   3          1HD2      ASN   3 -23.037   6.238   5.786
   16   2HD2  ASN   3          2HD2      ASN   3 -22.335   6.626   7.282
   17    H    GLU   4           H        GLU   4 -21.522   1.399   4.065
   18    HA   GLU   4           HA       GLU   4 -19.796   0.722   6.363
   19   1HB   GLU   4          2HB       GLU   4 -20.232  -0.556   3.611
   20   2HB   GLU   4          1HB       GLU   4 -19.252  -1.234   4.888
   21   1HG   GLU   4          2HG       GLU   4 -21.144  -1.391   6.406
   22   2HG   GLU   4          1HG       GLU   4 -22.185  -0.505   5.327
   23    H    CYS   5           H        CYS   5 -19.755   1.992   3.087
   24    HA   CYS   5           HA       CYS   5 -16.919   2.263   3.004
   25   1HB   CYS   5          2HB       CYS   5 -19.119   3.414   1.265
   26   2HB   CYS   5          1HB       CYS   5 -17.426   3.511   0.887
   27    H    LEU   6           H        LEU   6 -19.726   4.240   3.430
   28    HA   LEU   6           HA       LEU   6 -18.680   6.803   3.584
   29   1HB   LEU   6          2HB       LEU   6 -21.003   5.598   5.084
   30   2HB   LEU   6          1HB       LEU   6 -20.761   7.306   4.834
   31    HG   LEU   6           HG       LEU   6 -21.200   5.198   2.646
   32   1HD1  LEU   6          1HD1      LEU   6 -23.266   5.778   3.910
   33   2HD1  LEU   6          2HD1      LEU   6 -23.346   6.398   2.273
   34   3HD1  LEU   6          3HD1      LEU   6 -22.977   7.482   3.608
   35   1HD2  LEU   6          1HD2      LEU   6 -20.930   8.233   2.350
   36   2HD2  LEU   6          2HD2      LEU   6 -21.317   7.111   1.055
   37   3HD2  LEU   6          3HD2      LEU   6 -19.738   7.065   1.806
   38    H    ASP   7           H        ASP   7 -19.156   4.407   6.081
   39    HA   ASP   7           HA       ASP   7 -17.751   6.056   8.153
   40   1HB   ASP   7          2HB       ASP   7 -19.988   4.811   8.624
   41   2HB   ASP   7          1HB       ASP   7 -19.081   3.327   8.369
   42    H    ASN   8           H        ASN   8 -16.634   3.891   9.492
   43    HA   ASN   8           HA       ASN   8 -14.131   3.565   8.367
   44   1HB   ASN   8          2HB       ASN   8 -15.627   1.765  10.122
   45   2HB   ASN   8          1HB       ASN   8 -13.890   1.675   9.932
   46   1HD2  ASN   8          1HD2      ASN   8 -12.600   3.333  10.945
   47   2HD2  ASN   8          2HD2      ASN   8 -13.257   4.461  12.032
   48    H    ASN   9           H        ASN   9 -13.616   2.563   6.511
   49    HA   ASN   9           HA       ASN   9 -15.156   1.309   4.657
   50   1HB   ASN   9          2HB       ASN   9 -12.798   2.024   4.458
   51   2HB   ASN   9          1HB       ASN   9 -12.302   0.587   5.337
   52   1HD2  ASN   9          1HD2      ASN   9 -12.932  -1.556   4.285
   53   2HD2  ASN   9          2HD2      ASN   9 -12.913  -1.613   2.601
   54    H    GLY  10           H        GLY  10 -16.709  -0.020   5.706
   55   1HA   GLY  10          2HA       GLY  10 -17.654  -2.032   6.362
   56   2HA   GLY  10          1HA       GLY  10 -16.281  -2.775   5.554
   57    H    GLY  11           H        GLY  11 -15.187  -0.704   7.875
   58   1HA   GLY  11          2HA       GLY  11 -15.289  -1.303  10.401
   59   2HA   GLY  11          1HA       GLY  11 -14.618  -2.844   9.861
   60    H    CYS  12           H        CYS  12 -13.024  -1.759   7.766
   61    HA   CYS  12           HA       CYS  12 -10.716  -0.727   9.284
   62   1HB   CYS  12          2HB       CYS  12  -9.488  -1.498   7.314
   63   2HB   CYS  12          1HB       CYS  12 -10.582  -2.749   7.860
   64    H    SER  13           H        SER  13  -9.794   0.174   6.494
   65    HA   SER  13           HA       SER  13 -11.367   2.493   5.768
   66   1HB   SER  13          2HB       SER  13  -9.664   4.181   6.487
   67   2HB   SER  13          1HB       SER  13 -10.327   3.314   7.879
   68    HG   SER  13           HG       SER  13  -7.949   2.654   6.467
   69    H    HIS  14           H        HIS  14 -10.486   0.262   4.445
   70    HA   HIS  14           HA       HIS  14  -8.363   1.202   2.592
   71   1HB   HIS  14          2HB       HIS  14  -9.288  -1.602   3.335
   72   2HB   HIS  14          1HB       HIS  14  -7.998  -1.191   2.231
   73    HD1  HIS  14           1HD      HIS  14  -8.511  -1.903   5.640
   74    HD2  HIS  14           2HD      HIS  14  -5.835   0.415   3.617
   75    HE1  HIS  14           1HE      HIS  14  -6.639  -1.489   7.198
   76    H    VAL  15           H        VAL  15 -10.059  -1.523   1.522
   77    HA   VAL  15           HA       VAL  15 -11.703   0.087  -0.399
   78    HB   VAL  15           HB       VAL  15 -10.488  -2.683  -0.702
   79   1HG1  VAL  15          1HG1      VAL  15 -12.192  -1.101  -2.696
   80   2HG1  VAL  15          2HG1      VAL  15 -12.707  -2.555  -1.862
   81   3HG1  VAL  15          3HG1      VAL  15 -11.408  -2.637  -3.028
   82   1HG2  VAL  15          1HG2      VAL  15  -9.196  -1.638  -2.505
   83   2HG2  VAL  15          2HG2      VAL  15  -8.886  -0.856  -0.957
   84   3HG2  VAL  15          3HG2      VAL  15  -9.933  -0.082  -2.141
   85    H    CYS  16           H        CYS  16 -13.724   0.091   0.303
   86    HA   CYS  16           HA       CYS  16 -14.859  -2.013   1.941
   87   1HB   CYS  16          2HB       CYS  16 -16.867  -0.626   1.781
   88   2HB   CYS  16          1HB       CYS  16 -15.496   0.364   2.176
   89    H    ASN  17           H        ASN  17 -14.466  -3.834   0.584
   90    HA   ASN  17           HA       ASN  17 -15.947  -3.934  -1.981
   91   1HB   ASN  17          2HB       ASN  17 -13.726  -4.619  -2.148
   92   2HB   ASN  17          1HB       ASN  17 -13.664  -5.466  -0.647
   93   1HD2  ASN  17          1HD2      ASN  17 -13.489  -7.650  -1.176
   94   2HD2  ASN  17          2HD2      ASN  17 -14.312  -8.446  -2.418
   95    H    ASP  18           H        ASP  18 -17.611  -3.558  -0.789
   96    HA   ASP  18           HA       ASP  18 -18.909  -4.848   1.287
   97   1HB   ASP  18          2HB       ASP  18 -19.605  -2.694   0.333
   98   2HB   ASP  18          1HB       ASP  18 -20.112  -3.479  -1.150
   99    H    LEU  19           H        LEU  19 -18.593  -6.959   1.171
  100    HA   LEU  19           HA       LEU  19 -19.454  -8.769  -0.807
  101   1HB   LEU  19          2HB       LEU  19 -17.781  -8.948   1.248
  102   2HB   LEU  19          1HB       LEU  19 -19.218  -9.230   2.171
  103    HG   LEU  19           HG       LEU  19 -19.790 -11.255   0.912
  104   1HD1  LEU  19          1HD1      LEU  19 -18.129 -12.108  -0.729
  105   2HD1  LEU  19          2HD1      LEU  19 -17.150 -10.666  -0.477
  106   3HD1  LEU  19          3HD1      LEU  19 -18.716 -10.543  -1.253
  107   1HD2  LEU  19          1HD2      LEU  19 -17.935 -12.614   1.801
  108   2HD2  LEU  19          2HD2      LEU  19 -18.389 -11.353   2.925
  109   3HD2  LEU  19          3HD2      LEU  19 -16.942 -11.168   1.955
  110    H    LYS  20           H        LYS  20 -21.113 -10.548  -0.079
  111    HA   LYS  20           HA       LYS  20 -23.671  -9.197   0.297
  112   1HB   LYS  20          2HB       LYS  20 -24.585 -11.494  -0.032
  113   2HB   LYS  20          1HB       LYS  20 -23.404 -11.107  -1.266
  114   1HG   LYS  20          2HG       LYS  20 -21.669 -12.418  -0.001
  115   2HG   LYS  20          1HG       LYS  20 -22.894 -12.855   1.180
  116   1HD   LYS  20          2HD       LYS  20 -24.251 -13.941  -0.577
  117   2HD   LYS  20          1HD       LYS  20 -23.052 -13.502  -1.784
  118   1HE   LYS  20          2HE       LYS  20 -21.340 -14.854  -0.569
  119   2HE   LYS  20          1HE       LYS  20 -22.550 -15.298   0.628
  120   1HZ   LYS  20          1HZ       LYS  20 -22.531 -15.973  -2.249
  121   2HZ   LYS  20          2HZ       LYS  20 -23.877 -16.217  -1.244
  122   3HZ   LYS  20          3HZ       LYS  20 -22.422 -17.035  -0.928
  123    H    ILE  21           H        ILE  21 -21.584 -11.454   2.055
  124    HA   ILE  21           HA       ILE  21 -22.588 -10.543   4.654
  125    HB   ILE  21           HB       ILE  21 -22.503 -13.438   3.698
  126   1HG1  ILE  21          2HG1      ILE  21 -24.888 -11.730   4.567
  127   2HG1  ILE  21          1HG1      ILE  21 -24.548 -12.250   2.929
  128   1HG2  ILE  21          1HG2      ILE  21 -21.711 -13.207   6.026
  129   2HG2  ILE  21          2HG2      ILE  21 -23.274 -13.993   6.017
  130   3HG2  ILE  21          3HG2      ILE  21 -23.152 -12.287   6.441
  131   1HD1  ILE  21          1HD1      ILE  21 -26.269 -13.676   3.919
  132   2HD1  ILE  21          2HD1      ILE  21 -25.195 -14.137   5.221
  133   3HD1  ILE  21          3HD1      ILE  21 -24.826 -14.613   3.571
  134    H    GLY  22           H        GLY  22 -20.637  -9.764   5.382
  135   1HA   GLY  22          2HA       GLY  22 -18.613 -10.209   6.550
  136   2HA   GLY  22          1HA       GLY  22 -18.356 -11.557   5.474
  137    H    TYR  23           H        TYR  23 -19.096  -8.242   4.941
  138    HA   TYR  23           HA       TYR  23 -17.895  -7.443   2.666
  139   1HB   TYR  23          2HB       TYR  23 -17.475  -5.734   5.094
  140   2HB   TYR  23          1HB       TYR  23 -17.813  -5.236   3.452
  141    HD1  TYR  23           1HD      TYR  23 -20.117  -6.839   2.601
  142    HD2  TYR  23           2HD      TYR  23 -19.282  -5.131   6.396
  143    HE1  TYR  23           1HE      TYR  23 -22.518  -6.814   3.121
  144    HE2  TYR  23           2HE      TYR  23 -21.680  -5.105   6.921
  145    HH   TYR  23           HH       TYR  23 -23.808  -5.100   5.755
  146    H    GLU  24           H        GLU  24 -15.984  -6.504   1.941
  147    HA   GLU  24           HA       GLU  24 -13.569  -7.429   3.375
  148   1HB   GLU  24          2HB       GLU  24 -14.124  -6.995   0.479
  149   2HB   GLU  24          1HB       GLU  24 -12.594  -7.520   1.127
  150   1HG   GLU  24          2HG       GLU  24 -13.844  -9.443   2.197
  151   2HG   GLU  24          1HG       GLU  24 -15.290  -8.862   1.368
  152    H    CYS  25           H        CYS  25 -11.658  -6.489   2.951
  153    HA   CYS  25           HA       CYS  25 -11.487  -3.632   2.629
  154   1HB   CYS  25          2HB       CYS  25 -10.405  -5.458   4.770
  155   2HB   CYS  25          1HB       CYS  25  -9.705  -3.898   4.499
  156    H    LEU  26           H        LEU  26 -10.768  -4.081   0.464
  157    HA   LEU  26           HA       LEU  26  -8.360  -5.743   0.104
  158   1HB   LEU  26          2HB       LEU  26  -9.705  -4.089  -2.053
  159   2HB   LEU  26          1HB       LEU  26  -8.800  -5.556  -2.173
  160    HG   LEU  26           HG       LEU  26 -11.556  -5.420  -0.952
  161   1HD1  LEU  26          1HD1      LEU  26 -12.258  -6.696  -2.980
  162   2HD1  LEU  26          2HD1      LEU  26 -10.648  -6.540  -3.630
  163   3HD1  LEU  26          3HD1      LEU  26 -11.642  -5.111  -3.382
  164   1HD2  LEU  26          1HD2      LEU  26  -9.824  -7.854  -1.503
  165   2HD2  LEU  26          2HD2      LEU  26 -11.490  -7.876  -0.945
  166   3HD2  LEU  26          3HD2      LEU  26 -10.234  -7.219   0.085
  167    H    CYS  27           H        CYS  27  -6.985  -4.441  -1.786
  168    HA   CYS  27           HA       CYS  27  -5.777  -2.201  -0.353
  169   1HB   CYS  27          2HB       CYS  27  -5.018  -3.671  -2.844
  170   2HB   CYS  27          1HB       CYS  27  -4.154  -2.291  -2.265
  171    HA   PRO  28           HA       PRO  28  -7.991   0.671  -3.077
  172   1HB   PRO  28          2HB       PRO  28  -7.008   2.974  -1.957
  173   2HB   PRO  28          1HB       PRO  28  -8.277   2.028  -1.248
  174   1HG   PRO  28          2HG       PRO  28  -5.430   2.174  -0.467
  175   2HG   PRO  28          1HG       PRO  28  -6.869   1.976   0.537
  176   1HD   PRO  28          2HD       PRO  28  -5.154  -0.062  -0.199
  177   2HD   PRO  28          1HD       PRO  28  -6.824  -0.280   0.356
  178    H    ASP  29           H        ASP  29  -4.807   1.271  -2.037
  179    HA   ASP  29           HA       ASP  29  -3.817   2.548  -4.455
  180   1HB   ASP  29          2HB       ASP  29  -1.683   2.592  -3.089
  181   2HB   ASP  29          1HB       ASP  29  -3.060   3.278  -2.251
  182    H    GLY  30           H        GLY  30  -1.324   1.634  -4.798
  183   1HA   GLY  30          2HA       GLY  30  -1.675  -0.712  -6.349
  184   2HA   GLY  30          1HA       GLY  30  -0.202   0.202  -6.191
  185    H    PHE  31           H        PHE  31  -0.403  -0.231  -3.118
  186    HA   PHE  31           HA       PHE  31   1.416  -2.406  -2.938
  187   1HB   PHE  31          2HB       PHE  31  -0.379  -1.189  -0.801
  188   2HB   PHE  31          1HB       PHE  31   1.068  -2.115  -0.559
  189    HD1  PHE  31           1HD      PHE  31   3.039  -1.238  -2.333
  190    HD2  PHE  31           2HD      PHE  31   0.008   1.137  -0.519
  191    HE1  PHE  31           1HE      PHE  31   4.430   0.757  -2.624
  192    HE2  PHE  31           2HE      PHE  31   1.398   3.124  -0.823
  193    HZ   PHE  31           HZ       PHE  31   3.634   2.916  -1.850
  194    H    GLN  32           H        GLN  32   1.040  -4.267  -1.304
  195    HA   GLN  32           HA       GLN  32  -1.469  -5.656  -2.022
  196   1HB   GLN  32          2HB       GLN  32  -0.079  -7.707  -1.752
  197   2HB   GLN  32          1HB       GLN  32   0.233  -6.794  -3.201
  198   1HG   GLN  32          2HG       GLN  32   1.956  -6.686  -0.679
  199   2HG   GLN  32          1HG       GLN  32   2.261  -7.783  -2.008
  200   1HE2  GLN  32          1HE2      GLN  32   4.365  -6.353  -1.652
  201   2HE2  GLN  32          2HE2      GLN  32   4.499  -5.020  -2.694
  202    H    LEU  33           H        LEU  33  -2.627  -6.358  -0.535
  203    HA   LEU  33           HA       LEU  33  -1.980  -6.030   2.312
  204   1HB   LEU  33          2HB       LEU  33  -4.062  -5.210   1.220
  205   2HB   LEU  33          1HB       LEU  33  -4.493  -6.843   0.792
  206    HG   LEU  33           HG       LEU  33  -4.239  -5.827   3.659
  207   1HD1  LEU  33          1HD1      LEU  33  -6.737  -5.770   3.553
  208   2HD1  LEU  33          2HD1      LEU  33  -6.676  -6.239   1.860
  209   3HD1  LEU  33          3HD1      LEU  33  -6.049  -4.681   2.364
  210   1HD2  LEU  33          1HD2      LEU  33  -5.569  -8.335   2.522
  211   2HD2  LEU  33          2HD2      LEU  33  -5.564  -7.833   4.194
  212   3HD2  LEU  33          3HD2      LEU  33  -4.074  -8.341   3.445
  213    H    VAL  34           H        VAL  34  -0.831  -7.467   3.160
  214    HA   VAL  34           HA       VAL  34  -1.328 -10.368   2.663
  215    HB   VAL  34           HB       VAL  34   0.868  -9.593   1.874
  216   1HG1  VAL  34          1HG1      VAL  34   1.139  -7.667   3.379
  217   2HG1  VAL  34          2HG1      VAL  34   2.532  -8.735   3.474
  218   3HG1  VAL  34          3HG1      VAL  34   1.327  -8.748   4.754
  219   1HG2  VAL  34          1HG2      VAL  34   0.716 -11.891   2.785
  220   2HG2  VAL  34          2HG2      VAL  34   1.082 -11.297   4.397
  221   3HG2  VAL  34          3HG2      VAL  34   2.290 -11.195   3.128
  222    H    ALA  35           H        ALA  35  -0.851  -7.844   5.038
  223    HA   ALA  35           HA       ALA  35  -0.897  -9.590   7.281
  224   1HB   ALA  35          1HB       ALA  35  -1.158  -6.561   7.067
  225   2HB   ALA  35          2HB       ALA  35   0.335  -7.445   7.341
  226   3HB   ALA  35          3HB       ALA  35  -0.907  -7.415   8.581
  227    H    GLN  36           H        GLN  36  -3.084  -9.801   5.584
  228    HA   GLN  36           HA       GLN  36  -5.347 -10.195   5.559
  229   1HB   GLN  36          2HB       GLN  36  -4.966 -10.020   8.571
  230   2HB   GLN  36          1HB       GLN  36  -6.409 -10.651   7.801
  231   1HG   GLN  36          2HG       GLN  36  -5.012 -12.393   6.666
  232   2HG   GLN  36          1HG       GLN  36  -3.577 -11.755   7.459
  233   1HE2  GLN  36          1HE2      GLN  36  -5.797 -14.186   7.732
  234   2HE2  GLN  36          2HE2      GLN  36  -5.735 -14.442   9.410
  235    H    ARG  37           H        ARG  37  -4.364  -7.165   6.870
  236    HA   ARG  37           HA       ARG  37  -7.044  -6.070   6.220
  237   1HB   ARG  37          2HB       ARG  37  -5.569  -5.232   8.744
  238   2HB   ARG  37          1HB       ARG  37  -7.060  -4.553   8.143
  239   1HG   ARG  37          2HG       ARG  37  -7.731  -5.962   9.913
  240   2HG   ARG  37          1HG       ARG  37  -8.107  -6.876   8.467
  241   1HD   ARG  37          2HD       ARG  37  -5.953  -8.162   8.769
  242   2HD   ARG  37          1HD       ARG  37  -5.656  -7.230  10.215
  243    HE   ARG  37           HE       ARG  37  -8.242  -8.442  10.378
  244   1HH1  ARG  37          2HH1      ARG  37  -4.862  -9.199  10.439
  245   2HH1  ARG  37          1HH1      ARG  37  -5.075 -10.607  11.422
  246   1HH2  ARG  37          1HH2      ARG  37  -8.537 -10.227  11.630
  247   2HH2  ARG  37          2HH2      ARG  37  -7.184 -11.196  12.107
  248    H    ARG  38           H        ARG  38  -3.807  -5.162   7.352
  249    HA   ARG  38           HA       ARG  38  -3.835  -2.604   5.986
  250   1HB   ARG  38          2HB       ARG  38  -1.684  -4.110   7.498
  251   2HB   ARG  38          1HB       ARG  38  -1.514  -2.466   6.946
  252   1HG   ARG  38          2HG       ARG  38  -3.551  -3.544   8.946
  253   2HG   ARG  38          1HG       ARG  38  -2.124  -2.616   9.348
  254   1HD   ARG  38          2HD       ARG  38  -4.450  -1.625   7.670
  255   2HD   ARG  38          1HD       ARG  38  -4.122  -1.179   9.337
  256    HE   ARG  38           HE       ARG  38  -2.740  -0.176   6.961
  257   1HH1  ARG  38          2HH1      ARG  38  -2.555  -0.716  10.383
  258   2HH1  ARG  38          1HH1      ARG  38  -1.349   0.500  10.624
  259   1HH2  ARG  38          1HH2      ARG  38  -1.211   1.365   7.246
  260   2HH2  ARG  38          2HH2      ARG  38  -0.573   1.699   8.823
  261    H    CYS  39           H        CYS  39  -3.179  -2.131   4.063
  262    HA   CYS  39           HA       CYS  39  -1.810  -4.166   2.400
  263   1HB   CYS  39          2HB       CYS  39  -3.893  -3.027   1.582
  264   2HB   CYS  39          1HB       CYS  39  -3.016  -1.517   1.584
  265    H    GLU  40           H        GLU  40   0.243  -3.990   1.695
  266    HA   GLU  40           HA       GLU  40   1.616  -1.399   1.621
  267   1HB   GLU  40          2HB       GLU  40   1.868  -2.061   4.040
  268   2HB   GLU  40          1HB       GLU  40   2.596  -3.573   3.541
  269   1HG   GLU  40          2HG       GLU  40   4.512  -2.431   2.548
  270   2HG   GLU  40          1HG       GLU  40   3.790  -0.857   2.754
  271    H    ASP  41           H        ASP  41   3.766  -1.543   0.777
  272    HA   ASP  41           HA       ASP  41   3.912  -3.364  -1.461
  273   1HB   ASP  41          2HB       ASP  41   4.919  -1.003  -1.527
  274   2HB   ASP  41          1HB       ASP  41   6.078  -1.532  -0.359
  275    H    ILE  42           H        ILE  42   5.864  -4.631  -1.875
  276    HA   ILE  42           HA       ILE  42   6.263  -6.594   0.087
  277    HB   ILE  42           HB       ILE  42   6.619  -6.993  -2.355
  278   1HG1  ILE  42          2HG1      ILE  42   8.740  -8.272  -2.311
  279   2HG1  ILE  42          1HG1      ILE  42   9.223  -7.480  -0.830
  280   1HG2  ILE  42          1HG2      ILE  42   9.089  -5.240  -2.070
  281   2HG2  ILE  42          2HG2      ILE  42   7.633  -4.813  -2.951
  282   3HG2  ILE  42          3HG2      ILE  42   8.638  -6.134  -3.507
  283   1HD1  ILE  42          1HD1      ILE  42   8.274  -9.718  -0.368
  284   2HD1  ILE  42          2HD1      ILE  42   6.781  -9.278  -1.180
  285   3HD1  ILE  42          3HD1      ILE  42   7.230  -8.495   0.327
  286    H    ASP  43           H        ASP  43   8.410  -7.095   1.190
  287    HA   ASP  43           HA       ASP  43   9.637  -4.554   2.164
  288   1HB   ASP  43          2HB       ASP  43   8.517  -6.189   3.755
  289   2HB   ASP  43          1HB       ASP  43   9.806  -7.325   3.401
  290    H    GLU  44           H        GLU  44  11.447  -3.996   1.389
  291    HA   GLU  44           HA       GLU  44  13.216  -5.735  -0.109
  292   1HB   GLU  44          2HB       GLU  44  13.531  -2.837   0.698
  293   2HB   GLU  44          1HB       GLU  44  14.442  -3.666  -0.528
  294   1HG   GLU  44          2HG       GLU  44  12.808  -2.298  -1.541
  295   2HG   GLU  44          1HG       GLU  44  12.333  -3.948  -1.874
  296    H    CYS  45           H        CYS  45  13.050  -4.334   3.061
  297    HA   CYS  45           HA       CYS  45  15.768  -4.418   3.745
  298   1HB   CYS  45          2HB       CYS  45  13.339  -4.614   5.581
  299   2HB   CYS  45          1HB       CYS  45  14.946  -4.187   6.036
  300    H    GLN  46           H        GLN  46  13.236  -6.365   4.927
  301    HA   GLN  46           HA       GLN  46  14.506  -8.401   6.243
  302   1HB   GLN  46          2HB       GLN  46  12.003  -8.554   4.519
  303   2HB   GLN  46          1HB       GLN  46  12.456  -9.765   5.693
  304   1HG   GLN  46          2HG       GLN  46  11.933  -6.826   6.341
  305   2HG   GLN  46          1HG       GLN  46  10.800  -8.133   6.640
  306   1HE2  GLN  46          1HE2      GLN  46  11.693  -9.929   8.134
  307   2HE2  GLN  46          2HE2      GLN  46  12.716  -9.443   9.398
  308    H    ASP  47           H        ASP  47  13.814  -8.295   2.802
  309    HA   ASP  47           HA       ASP  47  15.019 -10.824   2.280
  310   1HB   ASP  47          2HB       ASP  47  13.171  -9.976   0.871
  311   2HB   ASP  47          1HB       ASP  47  14.160  -8.613   0.374
  312    HA   PRO  48           HA       PRO  48  19.079  -8.828   2.076
  313   1HB   PRO  48          2HB       PRO  48  20.610 -11.034   1.849
  314   2HB   PRO  48          1HB       PRO  48  19.764 -10.680   3.334
  315   1HG   PRO  48          2HG       PRO  48  18.997 -12.589   1.168
  316   2HG   PRO  48          1HG       PRO  48  18.914 -12.792   2.925
  317   1HD   PRO  48          2HD       PRO  48  16.772 -12.111   1.332
  318   2HD   PRO  48          1HD       PRO  48  16.891 -11.764   3.068
  319    H    ASP  49           H        ASP  49  18.404  -7.835   0.063
  320    HA   ASP  49           HA       ASP  49  20.000  -8.827  -2.214
  321   1HB   ASP  49          2HB       ASP  49  17.760  -9.747  -2.595
  322   2HB   ASP  49          1HB       ASP  49  17.050  -8.163  -2.306
  323    H    THR  50           H        THR  50  17.650  -6.323  -1.419
  324    HA   THR  50           HA       THR  50  18.837  -4.283  -2.990
  325    HB   THR  50           HB       THR  50  17.220  -2.807  -1.678
  326    HG1  THR  50           1HG      THR  50  16.589  -3.565   0.164
  327   1HG2  THR  50          1HG2      THR  50  16.398  -4.265  -3.624
  328   2HG2  THR  50          2HG2      THR  50  15.170  -4.048  -2.398
  329   3HG2  THR  50          3HG2      THR  50  16.071  -5.550  -2.473
  330    H    CYS  51           H        CYS  51  18.587  -3.834   0.552
  331    HA   CYS  51           HA       CYS  51  21.045  -2.256   0.453
  332   1HB   CYS  51          2HB       CYS  51  19.436  -3.142   2.842
  333   2HB   CYS  51          1HB       CYS  51  20.501  -1.769   2.693
  334    H    SER  52           H        SER  52  23.086  -2.876   1.435
  335    HA   SER  52           HA       SER  52  23.697  -5.649   1.397
  336   1HB   SER  52          2HB       SER  52  25.195  -3.297   2.649
  337   2HB   SER  52          1HB       SER  52  25.889  -4.882   2.290
  338    HG   SER  52           HG       SER  52  25.893  -3.040   0.629
  339    H    GLN  53           H        GLN  53  22.959  -3.402   3.975
  340    HA   GLN  53           HA       GLN  53  22.501  -5.674   5.846
  341   1HB   GLN  53          2HB       GLN  53  24.040  -3.121   6.467
  342   2HB   GLN  53          1HB       GLN  53  23.509  -4.281   7.671
  343   1HG   GLN  53          2HG       GLN  53  25.356  -4.904   5.355
  344   2HG   GLN  53          1HG       GLN  53  25.901  -4.575   6.995
  345   1HE2  GLN  53          1HE2      GLN  53  24.338  -6.057   8.619
  346   2HE2  GLN  53          2HE2      GLN  53  24.357  -7.703   8.201
  347    H    LEU  54           H        LEU  54  22.375  -2.269   6.812
  348    HA   LEU  54           HA       LEU  54  19.696  -2.630   7.682
  349   1HB   LEU  54          2HB       LEU  54  21.276  -0.131   7.303
  350   2HB   LEU  54          1HB       LEU  54  19.703  -0.227   8.070
  351    HG   LEU  54           HG       LEU  54  22.324  -1.309   9.103
  352   1HD1  LEU  54          1HD1      LEU  54  21.688   0.308  10.900
  353   2HD1  LEU  54          2HD1      LEU  54  20.187   0.643  10.043
  354   3HD1  LEU  54          3HD1      LEU  54  21.713   1.114   9.326
  355   1HD2  LEU  54          1HD2      LEU  54  20.455  -2.937   9.559
  356   2HD2  LEU  54          2HD2      LEU  54  19.516  -1.610  10.240
  357   3HD2  LEU  54          3HD2      LEU  54  21.014  -2.126  11.016
  358    H    CYS  55           H        CYS  55  18.060  -1.502   7.379
  359    HA   CYS  55           HA       CYS  55  17.439   0.029   4.987
  360   1HB   CYS  55          2HB       CYS  55  17.497  -2.147   3.967
  361   2HB   CYS  55          1HB       CYS  55  16.584  -2.897   5.184
  362    H    VAL  56           H        VAL  56  14.985   0.222   4.757
  363    HA   VAL  56           HA       VAL  56  13.411   0.114   7.215
  364    HB   VAL  56           HB       VAL  56  14.711   2.161   7.660
  365   1HG1  VAL  56          1HG1      VAL  56  15.421   2.791   5.384
  366   2HG1  VAL  56          2HG1      VAL  56  14.672   4.142   6.203
  367   3HG1  VAL  56          3HG1      VAL  56  13.785   3.277   4.970
  368   1HG2  VAL  56          1HG2      VAL  56  11.889   2.856   6.753
  369   2HG2  VAL  56          2HG2      VAL  56  12.870   3.821   7.844
  370   3HG2  VAL  56          3HG2      VAL  56  12.348   2.215   8.323
  371    H    ASN  57           H        ASN  57  11.908  -0.953   6.247
  372    HA   ASN  57           HA       ASN  57  10.815  -0.344   3.608
  373   1HB   ASN  57          2HB       ASN  57  11.196  -2.685   4.335
  374   2HB   ASN  57          1HB       ASN  57  10.049  -2.424   5.644
  375   1HD2  ASN  57          1HD2      ASN  57   8.320  -3.741   5.108
  376   2HD2  ASN  57          2HD2      ASN  57   7.489  -3.665   3.630
  377    H    LEU  58           H        LEU  58   8.704  -0.224   3.149
  378    HA   LEU  58           HA       LEU  58   6.376   0.227   4.619
  379   1HB   LEU  58          2HB       LEU  58   6.088   2.659   4.682
  380   2HB   LEU  58          1HB       LEU  58   7.496   2.254   5.597
  381    HG   LEU  58           HG       LEU  58   7.711   3.169   2.710
  382   1HD1  LEU  58          1HD1      LEU  58   7.947   4.803   5.311
  383   2HD1  LEU  58          2HD1      LEU  58   6.626   4.954   4.165
  384   3HD1  LEU  58          3HD1      LEU  58   8.249   5.428   3.697
  385   1HD2  LEU  58          1HD2      LEU  58   9.992   3.743   3.406
  386   2HD2  LEU  58          2HD2      LEU  58   9.688   2.039   3.607
  387   3HD2  LEU  58          3HD2      LEU  58   9.681   3.106   5.006
  388    H    GLU  59           H        GLU  59   5.338   2.335   3.134
  389    HA   GLU  59           HA       GLU  59   4.715   1.008   0.650
  390   1HB   GLU  59          2HB       GLU  59   3.756   3.489   2.064
  391   2HB   GLU  59          1HB       GLU  59   3.278   3.300   0.420
  392   1HG   GLU  59          2HG       GLU  59   1.475   2.342   1.665
  393   2HG   GLU  59          1HG       GLU  59   2.400   0.975   1.128
  394    H    GLY  60           H        GLY  60   6.300   0.876  -0.539
  395   1HA   GLY  60          2HA       GLY  60   7.726   1.287  -2.265
  396   2HA   GLY  60          1HA       GLY  60   6.660   2.628  -2.631
  397    H    GLY  61           H        GLY  61   7.480   3.498   0.235
  398   1HA   GLY  61          2HA       GLY  61   9.652   5.293  -0.608
  399   2HA   GLY  61          1HA       GLY  61   8.739   5.380   0.897
  400    H    TYR  62           H        TYR  62   9.933   2.340   0.199
  401    HA   TYR  62           HA       TYR  62  11.510   2.174   2.538
  402   1HB   TYR  62          2HB       TYR  62  12.286   0.011   1.751
  403   2HB   TYR  62          1HB       TYR  62  10.640   0.200   1.166
  404    HD1  TYR  62           1HD      TYR  62  10.254   0.784  -1.294
  405    HD2  TYR  62           2HD      TYR  62  14.140   0.010   0.274
  406    HE1  TYR  62           1HE      TYR  62  11.142   0.540  -3.563
  407    HE2  TYR  62           2HE      TYR  62  15.023  -0.232  -1.980
  408    HH   TYR  62           HH       TYR  62  14.115   0.794  -4.428
  409    H    LYS  63           H        LYS  63  13.686   2.361   3.015
  410    HA   LYS  63           HA       LYS  63  15.529   3.175   0.871
  411   1HB   LYS  63          2HB       LYS  63  15.022   4.533   3.486
  412   2HB   LYS  63          1HB       LYS  63  16.370   4.873   2.466
  413   1HG   LYS  63          2HG       LYS  63  14.741   5.508   0.611
  414   2HG   LYS  63          1HG       LYS  63  13.429   5.240   1.733
  415   1HD   LYS  63          2HD       LYS  63  15.583   7.356   2.065
  416   2HD   LYS  63          1HD       LYS  63  13.967   7.649   1.470
  417   1HE   LYS  63          2HE       LYS  63  14.061   8.304   3.816
  418   2HE   LYS  63          1HE       LYS  63  13.041   6.884   3.681
  419   1HZ   LYS  63          1HZ       LYS  63  15.087   7.174   5.390
  420   2HZ   LYS  63          2HZ       LYS  63  15.807   6.272   4.146
  421   3HZ   LYS  63          3HZ       LYS  63  14.409   5.691   4.919
  422    H    CYS  64           H        CYS  64  17.720   3.180   1.622
  423    HA   CYS  64           HA       CYS  64  18.284   0.897   3.416
  424   1HB   CYS  64          2HB       CYS  64  19.967   2.256   1.340
  425   2HB   CYS  64          1HB       CYS  64  20.482   0.947   2.337
  426    H    GLN  65           H        GLN  65  20.182   0.995   4.644
  427    HA   GLN  65           HA       GLN  65  21.238   3.627   5.544
  428   1HB   GLN  65          2HB       GLN  65  20.255   1.603   7.592
  429   2HB   GLN  65          1HB       GLN  65  20.781   3.224   7.854
  430   1HG   GLN  65          2HG       GLN  65  18.834   4.191   6.761
  431   2HG   GLN  65          1HG       GLN  65  18.234   2.595   6.327
  432   1HE2  GLN  65          1HE2      GLN  65  18.769   4.791   9.058
  433   2HE2  GLN  65          2HE2      GLN  65  17.784   3.940  10.148
  434    H    CYS  66           H        CYS  66  22.835   2.650   7.560
  435    HA   CYS  66           HA       CYS  66  24.388   0.456   6.293
  436   1HB   CYS  66          2HB       CYS  66  25.544   2.811   7.704
  437   2HB   CYS  66          1HB       CYS  66  26.317   1.599   6.885
  438    H    GLU  67           H        GLU  67  25.503  -0.805   7.526
  439    HA   GLU  67           HA       GLU  67  24.587  -1.170  10.317
  440   1HB   GLU  67          2HB       GLU  67  24.796  -3.042   8.602
  441   2HB   GLU  67          1HB       GLU  67  26.527  -2.899   8.699
  442   1HG   GLU  67          2HG       GLU  67  24.649  -3.647  10.990
  443   2HG   GLU  67          1HG       GLU  67  25.700  -4.750  10.132
  444    H    GLU  68           H        GLU  68  25.621   0.828  10.945
  445    HA   GLU  68           HA       GLU  68  27.281   2.133  11.890
  446   1HB   GLU  68          2HB       GLU  68  28.263  -0.645  12.660
  447   2HB   GLU  68          1HB       GLU  68  28.821   0.839  13.404
  448   1HG   GLU  68          2HG       GLU  68  26.469   1.345  14.111
  449   2HG   GLU  68          1HG       GLU  68  25.922  -0.141  13.352
  450    H    GLY  69           H        GLY  69  29.442  -0.511  11.131
  451   1HA   GLY  69          2HA       GLY  69  31.636   1.044  10.378
  452   2HA   GLY  69          1HA       GLY  69  31.453  -0.668  10.039
  453    H    PHE  70           H        PHE  70  28.883   0.041   8.511
  454    HA   PHE  70           HA       PHE  70  30.167   0.255   5.991
  455   1HB   PHE  70          2HB       PHE  70  27.336   0.072   6.907
  456   2HB   PHE  70          1HB       PHE  70  27.678   0.324   5.199
  457    HD1  PHE  70           1HD      PHE  70  26.707  -1.709   4.446
  458    HD2  PHE  70           2HD      PHE  70  29.672  -1.876   7.500
  459    HE1  PHE  70           1HE      PHE  70  26.861  -4.133   4.189
  460    HE2  PHE  70           2HE      PHE  70  29.806  -4.299   7.247
  461    HZ   PHE  70           HZ       PHE  70  28.403  -5.441   5.583
  462    H    GLN  71           H        GLN  71  29.706   1.841   4.396
  463    HA   GLN  71           HA       GLN  71  28.823   4.467   5.319
  464   1HB   GLN  71          2HB       GLN  71  31.457   3.619   4.192
  465   2HB   GLN  71          1HB       GLN  71  30.881   5.177   3.720
  466   1HG   GLN  71          2HG       GLN  71  31.201   4.231   6.620
  467   2HG   GLN  71          1HG       GLN  71  32.321   5.305   5.785
  468   1HE2  GLN  71          1HE2      GLN  71  30.981   6.207   8.100
  469   2HE2  GLN  71          2HE2      GLN  71  29.859   7.406   7.672
  470    H    LEU  72           H        LEU  72  28.902   6.012   3.568
  471    HA   LEU  72           HA       LEU  72  27.035   5.049   1.515
  472   1HB   LEU  72          2HB       LEU  72  26.766   7.281   2.628
  473   2HB   LEU  72          1HB       LEU  72  28.250   7.820   1.867
  474    HG   LEU  72           HG       LEU  72  27.193   7.253  -0.386
  475   1HD1  LEU  72          1HD1      LEU  72  25.455   5.675   0.375
  476   2HD1  LEU  72          2HD1      LEU  72  24.734   7.019  -0.485
  477   3HD1  LEU  72          3HD1      LEU  72  24.660   6.960   1.265
  478   1HD2  LEU  72          1HD2      LEU  72  27.236   9.583   0.473
  479   2HD2  LEU  72          2HD2      LEU  72  25.726   9.302   1.332
  480   3HD2  LEU  72          3HD2      LEU  72  25.755   9.289  -0.427
  481    H    ASP  73           H        ASP  73  28.028   3.825   0.067
  482    HA   ASP  73           HA       ASP  73  30.658   4.384  -1.045
  483   1HB   ASP  73          2HB       ASP  73  29.737   2.064  -0.879
  484   2HB   ASP  73          1HB       ASP  73  28.492   2.465  -2.050
  485    HA   PRO  74           HA       PRO  74  29.018   7.273  -4.065
  486   1HB   PRO  74          2HB       PRO  74  31.214   7.720  -5.542
  487   2HB   PRO  74          1HB       PRO  74  31.121   8.261  -3.884
  488   1HG   PRO  74          2HG       PRO  74  32.423   5.780  -4.942
  489   2HG   PRO  74          1HG       PRO  74  33.053   6.982  -3.802
  490   1HD   PRO  74          2HD       PRO  74  31.972   4.636  -2.997
  491   2HD   PRO  74          1HD       PRO  74  31.877   6.115  -2.024
  492    H    HIS  75           H        HIS  75  28.760   7.507  -6.357
  493    HA   HIS  75           HA       HIS  75  28.043   6.783  -8.450
  494   1HB   HIS  75          2HB       HIS  75  30.065   4.536  -8.000
  495   2HB   HIS  75          1HB       HIS  75  29.347   4.982  -9.539
  496    HD1  HIS  75           1HD      HIS  75  31.703   6.336  -7.001
  497    HD2  HIS  75           2HD      HIS  75  30.473   7.236 -10.788
  498    HE1  HIS  75           1HE      HIS  75  33.217   8.105  -7.822
  499    H    THR  76           H        THR  76  27.365   5.259  -5.756
  500    HA   THR  76           HA       THR  76  25.306   3.486  -6.949
  501    HB   THR  76           HB       THR  76  25.849   1.751  -5.152
  502    HG1  THR  76           1HG      THR  76  26.844   3.050  -3.719
  503   1HG2  THR  76          1HG2      THR  76  27.987   0.907  -6.135
  504   2HG2  THR  76          2HG2      THR  76  28.348   2.487  -6.807
  505   3HG2  THR  76          3HG2      THR  76  27.025   1.535  -7.464
  506    H    LYS  77           H        LYS  77  26.613   5.085  -4.234
  507    HA   LYS  77           HA       LYS  77  25.714   6.204  -2.386
  508   1HB   LYS  77          2HB       LYS  77  23.235   6.019  -3.937
  509   2HB   LYS  77          1HB       LYS  77  23.430   7.025  -2.527
  510   1HG   LYS  77          2HG       LYS  77  25.310   8.237  -3.714
  511   2HG   LYS  77          1HG       LYS  77  25.018   7.263  -5.139
  512   1HD   LYS  77          2HD       LYS  77  23.932   9.439  -5.404
  513   2HD   LYS  77          1HD       LYS  77  22.712   8.186  -5.310
  514   1HE   LYS  77          2HE       LYS  77  22.314   8.747  -2.903
  515   2HE   LYS  77          1HE       LYS  77  23.562   9.983  -2.990
  516   1HZ   LYS  77          1HZ       LYS  77  21.076   9.906  -4.598
  517   2HZ   LYS  77          2HZ       LYS  77  22.272  11.111  -4.673
  518   3HZ   LYS  77          3HZ       LYS  77  21.365  10.902  -3.252
  519    H    ALA  78           H        ALA  78  25.600   3.218  -2.857
  520    HA   ALA  78           HA       ALA  78  23.446   2.364  -1.001
  521   1HB   ALA  78          1HB       ALA  78  24.057   0.083  -1.774
  522   2HB   ALA  78          2HB       ALA  78  25.373   0.760  -2.724
  523   3HB   ALA  78          3HB       ALA  78  23.709   1.136  -3.139
  524    H    CYS  79           H        CYS  79  23.885   1.348   0.919
  525    HA   CYS  79           HA       CYS  79  26.440   1.975   2.144
  526   1HB   CYS  79          2HB       CYS  79  24.019   0.566   3.171
  527   2HB   CYS  79          1HB       CYS  79  25.453   0.746   4.133
  528    H    LYS  80           H        LYS  80  28.032   0.761   2.694
  529    HA   LYS  80           HA       LYS  80  27.933  -2.156   2.775
  530   1HB   LYS  80          2HB       LYS  80  29.696  -2.495   1.356
  531   2HB   LYS  80          1HB       LYS  80  28.301  -1.950   0.419
  532   1HG   LYS  80          2HG       LYS  80  29.288   0.404   0.430
  533   2HG   LYS  80          1HG       LYS  80  30.741  -0.227   1.177
  534   1HD   LYS  80          2HD       LYS  80  29.679  -1.044  -1.554
  535   2HD   LYS  80          1HD       LYS  80  31.034   0.025  -1.254
  536   1HE   LYS  80          2HE       LYS  80  32.262  -1.814  -0.113
  537   2HE   LYS  80          1HE       LYS  80  30.923  -2.908  -0.434
  538   1HZ   LYS  80          1HZ       LYS  80  33.028  -2.473  -2.059
  539   2HZ   LYS  80          2HZ       LYS  80  31.814  -1.524  -2.771
  540   3HZ   LYS  80          3HZ       LYS  80  31.554  -3.183  -2.514
  541    H    ALA  81           H        ALA  81  30.043  -2.993   3.621
  542    HA   ALA  81           HA       ALA  81  31.178  -1.651   5.769
  543   1HB   ALA  81          1HB       ALA  81  31.556  -4.047   5.298
  544   2HB   ALA  81          2HB       ALA  81  33.086  -3.227   5.564
  545   3HB   ALA  81          3HB       ALA  81  32.575  -3.630   3.932
  546    H    VAL  82           H        VAL  82  32.268   0.172   5.964
  547    HA   VAL  82           HA       VAL  82  33.194   1.823   3.971
  548    HB   VAL  82           HB       VAL  82  32.942   2.489   6.338
  549   1HG1  VAL  82          1HG1      VAL  82  33.946   0.448   7.408
  550   2HG1  VAL  82          2HG1      VAL  82  34.697   1.913   8.008
  551   3HG1  VAL  82          3HG1      VAL  82  35.523   0.919   6.819
  552   1HG2  VAL  82          1HG2      VAL  82  35.753   3.013   5.297
  553   2HG2  VAL  82          2HG2      VAL  82  34.931   3.944   6.536
  554   3HG2  VAL  82          3HG2      VAL  82  34.315   3.935   4.893
  Start of MODEL   10
    1    H    GLY   1           H        GLY   1 -22.855   3.038  -1.595
    2   1HA   GLY   1          2HA       GLY   1 -24.677   5.035  -0.749
    3   2HA   GLY   1          1HA       GLY   1 -25.106   3.349  -1.042
    4    H    THR   2           H        THR   2 -24.007   1.909   0.797
    5    HA   THR   2           HA       THR   2 -25.458   2.303   3.135
    6    HB   THR   2           HB       THR   2 -24.703   0.108   2.459
    7    HG1  THR   2           1HG      THR   2 -24.908   0.814   4.743
    8   1HG2  THR   2          1HG2      THR   2 -22.301  -0.515   2.744
    9   2HG2  THR   2          2HG2      THR   2 -21.929   1.117   3.277
   10   3HG2  THR   2          3HG2      THR   2 -22.400   0.824   1.610
   11    H    ASN   3           H        ASN   3 -24.520   2.297   5.315
   12    HA   ASN   3           HA       ASN   3 -22.623   4.558   5.602
   13   1HB   ASN   3          2HB       ASN   3 -24.959   4.656   6.639
   14   2HB   ASN   3          1HB       ASN   3 -24.540   3.278   7.636
   15   1HD2  ASN   3          1HD2      ASN   3 -23.490   3.686   9.610
   16   2HD2  ASN   3          2HD2      ASN   3 -22.916   5.211  10.086
   17    H    GLU   4           H        GLU   4 -21.824   1.954   5.027
   18    HA   GLU   4           HA       GLU   4 -20.313   1.027   7.386
   19   1HB   GLU   4          2HB       GLU   4 -20.549   0.028   4.506
   20   2HB   GLU   4          1HB       GLU   4 -19.635  -0.776   5.757
   21   1HG   GLU   4          2HG       GLU   4 -21.625  -1.098   7.125
   22   2HG   GLU   4          1HG       GLU   4 -22.609  -0.138   6.053
   23    H    CYS   5           H        CYS   5 -19.966   2.594   4.266
   24    HA   CYS   5           HA       CYS   5 -17.125   2.775   4.387
   25   1HB   CYS   5          2HB       CYS   5 -19.176   4.187   2.669
   26   2HB   CYS   5          1HB       CYS   5 -17.463   4.262   2.399
   27    H    LEU   6           H        LEU   6 -19.904   4.771   4.867
   28    HA   LEU   6           HA       LEU   6 -18.796   7.261   5.412
   29   1HB   LEU   6          2HB       LEU   6 -21.283   5.983   6.553
   30   2HB   LEU   6          1HB       LEU   6 -20.960   7.694   6.538
   31    HG   LEU   6           HG       LEU   6 -21.303   5.873   4.093
   32   1HD1  LEU   6          1HD1      LEU   6 -23.435   6.436   5.254
   33   2HD1  LEU   6          2HD1      LEU   6 -23.350   7.231   3.693
   34   3HD1  LEU   6          3HD1      LEU   6 -23.036   8.140   5.165
   35   1HD2  LEU   6          1HD2      LEU   6 -21.178   7.948   2.719
   36   2HD2  LEU   6          2HD2      LEU   6 -19.674   7.714   3.579
   37   3HD2  LEU   6          3HD2      LEU   6 -20.835   8.898   4.157
   38    H    ASP   7           H        ASP   7 -19.563   4.582   7.512
   39    HA   ASP   7           HA       ASP   7 -18.299   5.883   9.892
   40   1HB   ASP   7          2HB       ASP   7 -20.618   4.735  10.011
   41   2HB   ASP   7          1HB       ASP   7 -19.778   3.241   9.620
   42    H    ASN   8           H        ASN   8 -17.449   3.508  11.050
   43    HA   ASN   8           HA       ASN   8 -14.851   3.158  10.205
   44   1HB   ASN   8          2HB       ASN   8 -16.647   1.195  11.421
   45   2HB   ASN   8          1HB       ASN   8 -14.904   1.060  11.476
   46   1HD2  ASN   8          1HD2      ASN   8 -13.751   2.921  12.606
   47   2HD2  ASN   8          2HD2      ASN   8 -14.543   3.701  13.889
   48    H    ASN   9           H        ASN   9 -14.233   2.569   8.213
   49    HA   ASN   9           HA       ASN   9 -15.589   1.631   6.059
   50   1HB   ASN   9          2HB       ASN   9 -13.244   2.374   6.111
   51   2HB   ASN   9          1HB       ASN   9 -12.797   0.845   6.864
   52   1HD2  ASN   9          1HD2      ASN   9 -12.914  -1.088   5.617
   53   2HD2  ASN   9          2HD2      ASN   9 -12.888  -1.040   3.936
   54    H    GLY  10           H        GLY  10 -17.197   0.147   6.715
   55   1HA   GLY  10          2HA       GLY  10 -18.163  -1.948   6.911
   56   2HA   GLY  10          1HA       GLY  10 -16.718  -2.535   6.104
   57    H    GLY  11           H        GLY  11 -15.886  -0.914   8.864
   58   1HA   GLY  11          2HA       GLY  11 -16.236  -2.006  11.199
   59   2HA   GLY  11          1HA       GLY  11 -15.435  -3.387  10.440
   60    H    CYS  12           H        CYS  12 -13.672  -1.837   8.800
   61    HA   CYS  12           HA       CYS  12 -11.666  -1.012  10.811
   62   1HB   CYS  12          2HB       CYS  12 -10.105  -1.471   9.073
   63   2HB   CYS  12          1HB       CYS  12 -11.230  -2.808   9.139
   64    H    SER  13           H        SER  13 -10.478   0.249   8.193
   65    HA   SER  13           HA       SER  13 -12.028   2.635   7.714
   66   1HB   SER  13          2HB       SER  13 -10.346   4.207   8.733
   67   2HB   SER  13          1HB       SER  13 -11.055   3.148   9.960
   68    HG   SER  13           HG       SER  13  -8.645   2.654   8.535
   69    H    HIS  14           H        HIS  14 -10.905   0.528   6.252
   70    HA   HIS  14           HA       HIS  14  -8.877   1.851   4.527
   71   1HB   HIS  14          2HB       HIS  14  -9.430  -1.063   5.124
   72   2HB   HIS  14          1HB       HIS  14  -8.333  -0.507   3.895
   73    HD1  HIS  14           1HD      HIS  14  -6.042  -0.182   4.750
   74    HD2  HIS  14           2HD      HIS  14  -8.682   0.147   7.840
   75    HE1  HIS  14           1HE      HIS  14  -4.689   0.134   6.793
   76    H    VAL  15           H        VAL  15 -10.266  -0.972   3.186
   77    HA   VAL  15           HA       VAL  15 -11.765   0.671   1.182
   78    HB   VAL  15           HB       VAL  15 -10.570  -2.103   0.921
   79   1HG1  VAL  15          1HG1      VAL  15 -11.188  -1.919  -1.501
   80   2HG1  VAL  15          2HG1      VAL  15 -11.976  -0.382  -1.187
   81   3HG1  VAL  15          3HG1      VAL  15 -12.619  -1.860  -0.499
   82   1HG2  VAL  15          1HG2      VAL  15  -9.035  -1.043  -0.664
   83   2HG2  VAL  15          2HG2      VAL  15  -8.870  -0.340   0.941
   84   3HG2  VAL  15          3HG2      VAL  15  -9.736   0.533  -0.319
   85    H    CYS  16           H        CYS  16 -13.857   0.708   1.729
   86    HA   CYS  16           HA       CYS  16 -15.197  -1.533   3.006
   87   1HB   CYS  16          2HB       CYS  16 -17.150  -0.062   2.824
   88   2HB   CYS  16          1HB       CYS  16 -15.812   0.820   3.485
   89    H    ASN  17           H        ASN  17 -14.667  -3.155   1.436
   90    HA   ASN  17           HA       ASN  17 -15.856  -2.862  -1.269
   91   1HB   ASN  17          2HB       ASN  17 -13.642  -3.669  -1.240
   92   2HB   ASN  17          1HB       ASN  17 -13.882  -4.778   0.061
   93   1HD2  ASN  17          1HD2      ASN  17 -14.326  -6.912  -0.646
   94   2HD2  ASN  17          2HD2      ASN  17 -14.804  -7.337  -2.212
   95    H    ASP  18           H        ASP  18 -17.681  -2.631  -0.431
   96    HA   ASP  18           HA       ASP  18 -19.270  -4.059   1.322
   97   1HB   ASP  18          2HB       ASP  18 -19.841  -1.850   0.357
   98   2HB   ASP  18          1HB       ASP  18 -20.182  -2.605  -1.190
   99    H    LEU  19           H        LEU  19 -19.039  -6.191   1.172
  100    HA   LEU  19           HA       LEU  19 -19.552  -7.816  -1.108
  101   1HB   LEU  19          2HB       LEU  19 -18.189  -8.222   1.121
  102   2HB   LEU  19          1HB       LEU  19 -19.747  -8.540   1.826
  103    HG   LEU  19           HG       LEU  19 -20.141 -10.408   0.242
  104   1HD1  LEU  19          1HD1      LEU  19 -17.264  -9.760  -0.525
  105   2HD1  LEU  19          2HD1      LEU  19 -18.647  -9.510  -1.573
  106   3HD1  LEU  19          3HD1      LEU  19 -18.188 -11.138  -1.119
  107   1HD2  LEU  19          1HD2      LEU  19 -18.511 -11.900   1.370
  108   2HD2  LEU  19          2HD2      LEU  19 -19.177 -10.725   2.483
  109   3HD2  LEU  19          3HD2      LEU  19 -17.559 -10.500   1.850
  110    H    LYS  20           H        LYS  20 -21.392  -9.556  -0.851
  111    HA   LYS  20           HA       LYS  20 -23.900  -8.097  -0.664
  112   1HB   LYS  20          2HB       LYS  20 -24.900 -10.280  -1.302
  113   2HB   LYS  20          1HB       LYS  20 -23.534  -9.899  -2.330
  114   1HG   LYS  20          2HG       LYS  20 -22.085 -11.423  -0.975
  115   2HG   LYS  20          1HG       LYS  20 -23.476 -11.841   0.019
  116   1HD   LYS  20          2HD       LYS  20 -24.679 -12.687  -1.971
  117   2HD   LYS  20          1HD       LYS  20 -23.304 -12.279  -2.984
  118   1HE   LYS  20          2HE       LYS  20 -21.875 -13.849  -1.679
  119   2HE   LYS  20          1HE       LYS  20 -23.254 -14.255  -0.662
  120   1HZ   LYS  20          1HZ       LYS  20 -24.408 -15.096  -2.572
  121   2HZ   LYS  20          2HZ       LYS  20 -22.896 -15.857  -2.437
  122   3HZ   LYS  20          3HZ       LYS  20 -23.133 -14.638  -3.596
  123    H    ILE  21           H        ILE  21 -22.222 -10.604   1.182
  124    HA   ILE  21           HA       ILE  21 -23.603  -9.850   3.660
  125    HB   ILE  21           HB       ILE  21 -23.450 -12.663   2.488
  126   1HG1  ILE  21          2HG1      ILE  21 -25.895 -10.930   3.117
  127   2HG1  ILE  21          1HG1      ILE  21 -25.310 -11.316   1.512
  128   1HG2  ILE  21          1HG2      ILE  21 -23.032 -12.655   4.919
  129   2HG2  ILE  21          2HG2      ILE  21 -24.599 -13.366   4.602
  130   3HG2  ILE  21          3HG2      ILE  21 -24.490 -11.707   5.185
  131   1HD1  ILE  21          1HD1      ILE  21 -27.203 -12.756   2.082
  132   2HD1  ILE  21          2HD1      ILE  21 -26.364 -13.367   3.491
  133   3HD1  ILE  21          3HD1      ILE  21 -25.745 -13.715   1.884
  134    H    GLY  22           H        GLY  22 -21.848  -9.296   4.866
  135   1HA   GLY  22          2HA       GLY  22 -20.029  -9.821   6.252
  136   2HA   GLY  22          1HA       GLY  22 -19.671 -11.167   5.199
  137    H    TYR  23           H        TYR  23 -20.117  -7.800   4.717
  138    HA   TYR  23           HA       TYR  23 -18.586  -6.947   2.681
  139   1HB   TYR  23          2HB       TYR  23 -18.483  -5.438   5.273
  140   2HB   TYR  23          1HB       TYR  23 -18.490  -4.793   3.647
  141    HD1  TYR  23           1HD      TYR  23 -20.603  -5.310   2.149
  142    HD2  TYR  23           2HD      TYR  23 -20.540  -5.768   6.370
  143    HE1  TYR  23           1HE      TYR  23 -23.043  -5.250   2.186
  144    HE2  TYR  23           2HE      TYR  23 -22.990  -5.710   6.412
  145    HH   TYR  23           HH       TYR  23 -24.861  -6.158   4.886
  146    H    GLU  24           H        GLU  24 -16.557  -6.007   2.311
  147    HA   GLU  24           HA       GLU  24 -14.370  -7.224   3.885
  148   1HB   GLU  24          2HB       GLU  24 -14.491  -6.301   1.056
  149   2HB   GLU  24          1HB       GLU  24 -13.122  -7.055   1.808
  150   1HG   GLU  24          2HG       GLU  24 -15.854  -8.303   1.367
  151   2HG   GLU  24          1HG       GLU  24 -14.411  -8.650   0.435
  152    H    CYS  25           H        CYS  25 -12.440  -6.276   3.939
  153    HA   CYS  25           HA       CYS  25 -12.229  -3.380   3.939
  154   1HB   CYS  25          2HB       CYS  25 -12.479  -4.126   6.292
  155   2HB   CYS  25          1HB       CYS  25 -11.215  -5.317   6.065
  156    H    LEU  26           H        LEU  26 -11.315  -3.900   1.802
  157    HA   LEU  26           HA       LEU  26  -8.897  -5.498   1.623
  158   1HB   LEU  26          2HB       LEU  26  -9.925  -3.566  -0.478
  159   2HB   LEU  26          1HB       LEU  26  -8.987  -5.007  -0.675
  160    HG   LEU  26           HG       LEU  26 -11.858  -5.023   0.249
  161   1HD1  LEU  26          1HD1      LEU  26 -10.651  -5.849  -2.419
  162   2HD1  LEU  26          2HD1      LEU  26 -11.696  -4.466  -2.136
  163   3HD1  LEU  26          3HD1      LEU  26 -12.316  -6.093  -1.954
  164   1HD2  LEU  26          1HD2      LEU  26 -11.757  -7.469   0.008
  165   2HD2  LEU  26          2HD2      LEU  26 -10.640  -6.911   1.237
  166   3HD2  LEU  26          3HD2      LEU  26 -10.040  -7.376  -0.350
  167    H    CYS  27           H        CYS  27  -7.299  -4.240   0.021
  168    HA   CYS  27           HA       CYS  27  -5.785  -2.459   1.698
  169   1HB   CYS  27          2HB       CYS  27  -5.324  -3.638  -0.996
  170   2HB   CYS  27          1HB       CYS  27  -4.210  -2.517  -0.279
  171    HA   PRO  28           HA       PRO  28  -7.405   1.387  -0.037
  172   1HB   PRO  28          2HB       PRO  28  -4.891   2.443   1.236
  173   2HB   PRO  28          1HB       PRO  28  -6.530   3.013   1.397
  174   1HG   PRO  28          2HG       PRO  28  -5.432   1.661   3.365
  175   2HG   PRO  28          1HG       PRO  28  -7.124   1.365   2.919
  176   1HD   PRO  28          2HD       PRO  28  -4.692  -0.263   2.283
  177   2HD   PRO  28          1HD       PRO  28  -6.318  -0.788   2.776
  178    H    ASP  29           H        ASP  29  -3.905   1.037   0.086
  179    HA   ASP  29           HA       ASP  29  -3.592   2.073  -2.652
  180   1HB   ASP  29          2HB       ASP  29  -1.241   2.263  -2.007
  181   2HB   ASP  29          1HB       ASP  29  -2.239   3.010  -0.789
  182    H    GLY  30           H        GLY  30  -1.292   0.864  -3.406
  183   1HA   GLY  30          2HA       GLY  30  -2.124  -1.503  -4.625
  184   2HA   GLY  30          1HA       GLY  30  -0.490  -0.906  -4.609
  185    H    PHE  31           H        PHE  31  -0.373  -1.151  -1.610
  186    HA   PHE  31           HA       PHE  31   0.997  -3.558  -1.314
  187   1HB   PHE  31          2HB       PHE  31  -0.510  -1.833   0.643
  188   2HB   PHE  31          1HB       PHE  31   0.526  -3.149   1.136
  189    HD1  PHE  31           1HD      PHE  31   1.721  -1.631  -1.985
  190    HD2  PHE  31           2HD      PHE  31   1.782  -1.183   2.275
  191    HE1  PHE  31           1HE      PHE  31   3.672  -0.253  -2.169
  192    HE2  PHE  31           2HE      PHE  31   3.753   0.184   2.068
  193    HZ   PHE  31           HZ       PHE  31   4.719   0.658  -0.192
  194    H    GLN  32           H        GLN  32   0.519  -5.203   0.452
  195    HA   GLN  32           HA       GLN  32  -1.821  -6.777  -0.422
  196   1HB   GLN  32          2HB       GLN  32   0.689  -7.498   1.118
  197   2HB   GLN  32          1HB       GLN  32  -0.546  -8.627   0.617
  198   1HG   GLN  32          2HG       GLN  32  -0.107  -8.027  -1.785
  199   2HG   GLN  32          1HG       GLN  32   1.136  -6.896  -1.267
  200   1HE2  GLN  32          1HE2      GLN  32   0.488 -10.210  -1.984
  201   2HE2  GLN  32          2HE2      GLN  32   2.005 -10.825  -1.535
  202    H    LEU  33           H        LEU  33  -3.384  -7.513   0.996
  203    HA   LEU  33           HA       LEU  33  -3.617  -6.058   3.533
  204   1HB   LEU  33          2HB       LEU  33  -5.586  -6.691   1.957
  205   2HB   LEU  33          1HB       LEU  33  -5.389  -8.338   2.509
  206    HG   LEU  33           HG       LEU  33  -5.679  -7.460   4.906
  207   1HD1  LEU  33          1HD1      LEU  33  -6.573  -4.947   3.429
  208   2HD1  LEU  33          2HD1      LEU  33  -5.160  -5.065   4.462
  209   3HD1  LEU  33          3HD1      LEU  33  -6.759  -5.222   5.149
  210   1HD2  LEU  33          1HD2      LEU  33  -8.007  -7.053   3.001
  211   2HD2  LEU  33          2HD2      LEU  33  -8.144  -7.276   4.735
  212   3HD2  LEU  33          3HD2      LEU  33  -7.525  -8.579   3.735
  213    H    VAL  34           H        VAL  34  -1.780  -6.835   4.591
  214    HA   VAL  34           HA       VAL  34  -1.438  -9.706   5.094
  215    HB   VAL  34           HB       VAL  34   0.178  -7.290   6.003
  216   1HG1  VAL  34          1HG1      VAL  34   1.949  -8.950   6.556
  217   2HG1  VAL  34          2HG1      VAL  34   0.863 -10.264   6.135
  218   3HG1  VAL  34          3HG1      VAL  34   0.521  -9.248   7.525
  219   1HG2  VAL  34          1HG2      VAL  34   0.673  -9.319   3.778
  220   2HG2  VAL  34          2HG2      VAL  34   1.766  -8.025   4.240
  221   3HG2  VAL  34          3HG2      VAL  34   0.208  -7.645   3.540
  222    H    ALA  35           H        ALA  35  -1.441  -6.969   7.313
  223    HA   ALA  35           HA       ALA  35  -2.099  -8.595   9.542
  224   1HB   ALA  35          1HB       ALA  35  -1.848  -6.425  10.787
  225   2HB   ALA  35          2HB       ALA  35  -1.650  -5.623   9.235
  226   3HB   ALA  35          3HB       ALA  35  -0.492  -6.824   9.747
  227    H    GLN  36           H        GLN  36  -4.123  -9.121   8.274
  228    HA   GLN  36           HA       GLN  36  -6.421  -9.357   8.292
  229   1HB   GLN  36          2HB       GLN  36  -6.291  -7.498  10.727
  230   2HB   GLN  36          1HB       GLN  36  -7.669  -8.465  10.266
  231   1HG   GLN  36          2HG       GLN  36  -4.929  -9.571  11.034
  232   2HG   GLN  36          1HG       GLN  36  -6.354  -9.568  12.055
  233   1HE2  GLN  36          1HE2      GLN  36  -8.226 -10.898  11.326
  234   2HE2  GLN  36          2HE2      GLN  36  -7.951 -12.245  10.329
  235    H    ARG  37           H        ARG  37  -6.356  -6.054   9.437
  236    HA   ARG  37           HA       ARG  37  -7.841  -5.182   7.004
  237   1HB   ARG  37          2HB       ARG  37  -9.070  -3.566   8.332
  238   2HB   ARG  37          1HB       ARG  37  -9.311  -5.167   8.970
  239   1HG   ARG  37          2HG       ARG  37  -7.525  -3.014  10.154
  240   2HG   ARG  37          1HG       ARG  37  -9.091  -3.507  10.760
  241   1HD   ARG  37          2HD       ARG  37  -8.096  -5.865  10.999
  242   2HD   ARG  37          1HD       ARG  37  -6.531  -5.079  10.724
  243    HE   ARG  37           HE       ARG  37  -7.408  -3.513  12.680
  244   1HH1  ARG  37          2HH1      ARG  37  -7.503  -6.974  12.366
  245   2HH1  ARG  37          1HH1      ARG  37  -7.427  -7.235  14.074
  246   1HH2  ARG  37          1HH2      ARG  37  -7.303  -3.841  14.845
  247   2HH2  ARG  37          2HH2      ARG  37  -7.308  -5.447  15.493
  248    H    ARG  38           H        ARG  38  -4.988  -5.034   8.429
  249    HA   ARG  38           HA       ARG  38  -4.326  -2.231   7.700
  250   1HB   ARG  38          2HB       ARG  38  -3.052  -4.284   9.549
  251   2HB   ARG  38          1HB       ARG  38  -2.338  -2.733   9.214
  252   1HG   ARG  38          2HG       ARG  38  -5.054  -3.253  10.523
  253   2HG   ARG  38          1HG       ARG  38  -3.599  -2.801  11.384
  254   1HD   ARG  38          2HD       ARG  38  -3.535  -0.646  10.138
  255   2HD   ARG  38          1HD       ARG  38  -5.040  -1.076   9.319
  256    HE   ARG  38           HE       ARG  38  -5.775  -1.369  11.903
  257   1HH1  ARG  38          2HH1      ARG  38  -4.044   1.160  10.262
  258   2HH1  ARG  38          1HH1      ARG  38  -4.619   2.390  11.332
  259   1HH2  ARG  38          1HH2      ARG  38  -6.508   0.180  13.257
  260   2HH2  ARG  38          2HH2      ARG  38  -6.032   1.833  13.050
  261    H    CYS  39           H        CYS  39  -3.841  -2.347   5.646
  262    HA   CYS  39           HA       CYS  39  -2.449  -4.639   4.456
  263   1HB   CYS  39          2HB       CYS  39  -4.304  -3.490   3.300
  264   2HB   CYS  39          1HB       CYS  39  -3.362  -2.028   3.259
  265    H    GLU  40           H        GLU  40  -0.420  -4.781   3.866
  266    HA   GLU  40           HA       GLU  40   1.289  -2.388   3.699
  267   1HB   GLU  40          2HB       GLU  40   1.397  -3.207   6.058
  268   2HB   GLU  40          1HB       GLU  40   1.965  -4.762   5.471
  269   1HG   GLU  40          2HG       GLU  40   3.962  -3.635   4.446
  270   2HG   GLU  40          1HG       GLU  40   3.368  -2.085   4.998
  271    H    ASP  41           H        ASP  41   3.352  -2.848   2.766
  272    HA   ASP  41           HA       ASP  41   3.310  -4.890   0.643
  273   1HB   ASP  41          2HB       ASP  41   3.670  -2.620   0.024
  274   2HB   ASP  41          1HB       ASP  41   4.987  -2.409   1.142
  275    H    ILE  42           H        ILE  42   5.450  -5.670   0.030
  276    HA   ILE  42           HA       ILE  42   6.538  -7.257   2.102
  277    HB   ILE  42           HB       ILE  42   8.283  -7.929   0.411
  278   1HG1  ILE  42          2HG1      ILE  42   7.135  -5.660  -1.297
  279   2HG1  ILE  42          1HG1      ILE  42   8.709  -5.653  -0.534
  280   1HG2  ILE  42          1HG2      ILE  42   6.021  -8.927   0.268
  281   2HG2  ILE  42          2HG2      ILE  42   6.690  -8.754  -1.339
  282   3HG2  ILE  42          3HG2      ILE  42   5.481  -7.618  -0.770
  283   1HD1  ILE  42          1HD1      ILE  42   8.906  -6.254  -2.902
  284   2HD1  ILE  42          2HD1      ILE  42   7.849  -7.632  -2.678
  285   3HD1  ILE  42          3HD1      ILE  42   9.414  -7.591  -1.884
  286    H    ASP  43           H        ASP  43   8.832  -7.058   2.956
  287    HA   ASP  43           HA       ASP  43   9.620  -4.175   3.236
  288   1HB   ASP  43          2HB       ASP  43   8.955  -5.576   5.256
  289   2HB   ASP  43          1HB       ASP  43  10.395  -6.537   4.975
  290    H    GLU  44           H        GLU  44  11.179  -3.589   2.011
  291    HA   GLU  44           HA       GLU  44  12.975  -5.384   0.648
  292   1HB   GLU  44          2HB       GLU  44  13.164  -2.375   0.948
  293   2HB   GLU  44          1HB       GLU  44  13.940  -3.353  -0.275
  294   1HG   GLU  44          2HG       GLU  44  12.061  -2.270  -1.219
  295   2HG   GLU  44          1HG       GLU  44  11.685  -3.978  -1.192
  296    H    CYS  45           H        CYS  45  13.103  -3.518   3.585
  297    HA   CYS  45           HA       CYS  45  15.916  -3.457   3.846
  298   1HB   CYS  45          2HB       CYS  45  13.754  -3.191   5.973
  299   2HB   CYS  45          1HB       CYS  45  15.424  -2.918   6.220
  300    H    GLN  46           H        GLN  46  13.581  -5.153   5.762
  301    HA   GLN  46           HA       GLN  46  15.115  -6.915   7.193
  302   1HB   GLN  46          2HB       GLN  46  12.388  -7.382   5.939
  303   2HB   GLN  46          1HB       GLN  46  13.067  -8.382   7.203
  304   1HG   GLN  46          2HG       GLN  46  13.195  -6.417   8.719
  305   2HG   GLN  46          1HG       GLN  46  12.547  -5.380   7.465
  306   1HE2  GLN  46          1HE2      GLN  46  11.516  -6.515  10.223
  307   2HE2  GLN  46          2HE2      GLN  46   9.926  -6.985   9.854
  308    H    ASP  47           H        ASP  47  13.879  -7.358   3.945
  309    HA   ASP  47           HA       ASP  47  15.067  -9.924   3.580
  310   1HB   ASP  47          2HB       ASP  47  12.975  -9.318   2.397
  311   2HB   ASP  47          1HB       ASP  47  13.796  -7.989   1.597
  312    HA   PRO  48           HA       PRO  48  19.036  -8.197   2.409
  313   1HB   PRO  48          2HB       PRO  48  20.100 -10.340   1.040
  314   2HB   PRO  48          1HB       PRO  48  19.983 -10.305   2.781
  315   1HG   PRO  48          2HG       PRO  48  18.137 -11.609   0.821
  316   2HG   PRO  48          1HG       PRO  48  18.774 -12.239   2.351
  317   1HD   PRO  48          2HD       PRO  48  16.291 -11.241   2.149
  318   2HD   PRO  48          1HD       PRO  48  17.256 -11.055   3.623
  319    H    ASP  49           H        ASP  49  18.152  -6.629   1.093
  320    HA   ASP  49           HA       ASP  49  18.429  -7.098  -1.821
  321   1HB   ASP  49          2HB       ASP  49  16.032  -7.301  -1.333
  322   2HB   ASP  49          1HB       ASP  49  16.057  -5.801  -0.425
  323    H    THR  50           H        THR  50  17.917  -4.680   0.694
  324    HA   THR  50           HA       THR  50  19.074  -2.529  -0.880
  325    HB   THR  50           HB       THR  50  18.557  -1.244   1.294
  326    HG1  THR  50           1HG      THR  50  18.569  -2.525   2.945
  327   1HG2  THR  50          1HG2      THR  50  16.099  -1.600   1.246
  328   2HG2  THR  50          2HG2      THR  50  16.302  -3.148   0.443
  329   3HG2  THR  50          3HG2      THR  50  16.681  -1.663  -0.410
  330    H    CYS  51           H        CYS  51  20.056  -2.382   2.343
  331    HA   CYS  51           HA       CYS  51  22.894  -2.746   1.595
  332   1HB   CYS  51          2HB       CYS  51  21.424  -1.316   3.771
  333   2HB   CYS  51          1HB       CYS  51  23.133  -1.596   3.899
  334    H    SER  52           H        SER  52  24.358  -3.641   3.222
  335    HA   SER  52           HA       SER  52  23.627  -6.307   3.917
  336   1HB   SER  52          2HB       SER  52  25.991  -5.639   3.459
  337   2HB   SER  52          1HB       SER  52  25.991  -4.647   4.925
  338    HG   SER  52           HG       SER  52  25.075  -7.234   5.233
  339    H    GLN  53           H        GLN  53  23.685  -3.336   5.766
  340    HA   GLN  53           HA       GLN  53  22.520  -4.823   8.088
  341   1HB   GLN  53          2HB       GLN  53  24.394  -2.444   8.139
  342   2HB   GLN  53          1HB       GLN  53  23.642  -3.182   9.546
  343   1HG   GLN  53          2HG       GLN  53  25.530  -4.612   7.623
  344   2HG   GLN  53          1HG       GLN  53  25.980  -4.006   9.209
  345   1HE2  GLN  53          1HE2      GLN  53  24.191  -4.838  10.970
  346   2HE2  GLN  53          2HE2      GLN  53  23.921  -6.512  10.901
  347    H    LEU  54           H        LEU  54  22.794  -1.304   8.235
  348    HA   LEU  54           HA       LEU  54  20.023  -1.163   8.779
  349   1HB   LEU  54          2HB       LEU  54  21.949   1.042   8.100
  350   2HB   LEU  54          1HB       LEU  54  20.310   1.275   8.649
  351    HG   LEU  54           HG       LEU  54  22.656   0.240  10.205
  352   1HD1  LEU  54          1HD1      LEU  54  21.885   2.146  11.631
  353   2HD1  LEU  54          2HD1      LEU  54  20.533   2.392  10.532
  354   3HD1  LEU  54          3HD1      LEU  54  22.163   2.699   9.978
  355   1HD2  LEU  54          1HD2      LEU  54  20.711  -1.241  10.678
  356   2HD2  LEU  54          2HD2      LEU  54  19.727   0.193  10.983
  357   3HD2  LEU  54          3HD2      LEU  54  21.094  -0.190  12.035
  358    H    CYS  55           H        CYS  55  18.545  -0.061   8.081
  359    HA   CYS  55           HA       CYS  55  18.262   1.023   5.390
  360   1HB   CYS  55          2HB       CYS  55  18.202  -1.473   5.020
  361   2HB   CYS  55          1HB       CYS  55  16.905  -1.568   6.152
  362    H    VAL  56           H        VAL  56  15.643   1.230   5.114
  363    HA   VAL  56           HA       VAL  56  14.183   1.656   7.599
  364    HB   VAL  56           HB       VAL  56  15.613   3.667   7.639
  365   1HG1  VAL  56          1HG1      VAL  56  14.614   4.347   4.842
  366   2HG1  VAL  56          2HG1      VAL  56  16.234   3.824   5.271
  367   3HG1  VAL  56          3HG1      VAL  56  15.616   5.354   5.860
  368   1HG2  VAL  56          1HG2      VAL  56  13.284   3.981   8.375
  369   2HG2  VAL  56          2HG2      VAL  56  12.788   4.380   6.739
  370   3HG2  VAL  56          3HG2      VAL  56  13.874   5.446   7.610
  371    H    ASN  57           H        ASN  57  12.680   0.388   6.766
  372    HA   ASN  57           HA       ASN  57  11.509   0.768   4.115
  373   1HB   ASN  57          2HB       ASN  57  11.876  -1.511   5.030
  374   2HB   ASN  57          1HB       ASN  57  10.779  -1.130   6.348
  375   1HD2  ASN  57          1HD2      ASN  57   9.059  -2.535   5.950
  376   2HD2  ASN  57          2HD2      ASN  57   8.173  -2.559   4.504
  377    H    LEU  58           H        LEU  58   9.403   0.870   3.729
  378    HA   LEU  58           HA       LEU  58   7.193   1.621   5.356
  379   1HB   LEU  58          2HB       LEU  58   6.950   4.014   4.847
  380   2HB   LEU  58          1HB       LEU  58   8.415   3.752   5.720
  381    HG   LEU  58           HG       LEU  58   8.416   4.072   2.692
  382   1HD1  LEU  58          1HD1      LEU  58   9.091   6.431   3.166
  383   2HD1  LEU  58          2HD1      LEU  58   8.898   6.159   4.891
  384   3HD1  LEU  58          3HD1      LEU  58   7.497   6.124   3.831
  385   1HD2  LEU  58          1HD2      LEU  58  10.435   3.039   3.718
  386   2HD2  LEU  58          2HD2      LEU  58  10.550   4.381   4.845
  387   3HD2  LEU  58          3HD2      LEU  58  10.789   4.645   3.132
  388    H    GLU  59           H        GLU  59   6.090   3.380   3.453
  389    HA   GLU  59           HA       GLU  59   5.209   1.394   1.550
  390   1HB   GLU  59          2HB       GLU  59   3.606   3.059   2.673
  391   2HB   GLU  59          1HB       GLU  59   4.372   4.347   1.774
  392   1HG   GLU  59          2HG       GLU  59   3.528   3.202  -0.417
  393   2HG   GLU  59          1HG       GLU  59   2.704   2.051   0.596
  394    H    GLY  60           H        GLY  60   6.883   0.918   0.389
  395   1HA   GLY  60          2HA       GLY  60   8.182   0.858  -1.476
  396   2HA   GLY  60          1HA       GLY  60   7.066   2.031  -2.137
  397    H    GLY  61           H        GLY  61   8.063   3.487   0.500
  398   1HA   GLY  61          2HA       GLY  61  10.041   5.168  -0.898
  399   2HA   GLY  61          1HA       GLY  61   9.327   5.479   0.685
  400    H    TYR  62           H        TYR  62  10.279   2.436   0.761
  401    HA   TYR  62           HA       TYR  62  12.153   2.498   2.736
  402   1HB   TYR  62          2HB       TYR  62  12.880   0.259   2.080
  403   2HB   TYR  62          1HB       TYR  62  11.158   0.428   1.776
  404    HD1  TYR  62           1HD      TYR  62  10.356   0.806  -0.606
  405    HD2  TYR  62           2HD      TYR  62  14.431  -0.035   0.287
  406    HE1  TYR  62           1HE      TYR  62  10.772   0.276  -2.961
  407    HE2  TYR  62           2HE      TYR  62  14.849  -0.566  -2.056
  408    HH   TYR  62           HH       TYR  62  12.944  -1.429  -4.107
  409    H    LYS  63           H        LYS  63  14.307   2.883   3.076
  410    HA   LYS  63           HA       LYS  63  15.993   3.399   0.697
  411   1HB   LYS  63          2HB       LYS  63  16.123   4.846   3.336
  412   2HB   LYS  63          1HB       LYS  63  16.998   5.138   1.889
  413   1HG   LYS  63          2HG       LYS  63  14.951   5.789   0.660
  414   2HG   LYS  63          1HG       LYS  63  13.999   5.440   2.097
  415   1HD   LYS  63          2HD       LYS  63  15.206   7.201   3.358
  416   2HD   LYS  63          1HD       LYS  63  16.158   7.570   1.929
  417   1HE   LYS  63          2HE       LYS  63  14.249   9.145   2.154
  418   2HE   LYS  63          1HE       LYS  63  14.090   8.182   0.692
  419   1HZ   LYS  63          1HZ       LYS  63  12.325   7.075   1.500
  420   2HZ   LYS  63          2HZ       LYS  63  12.138   8.485   2.427
  421   3HZ   LYS  63          3HZ       LYS  63  12.867   7.110   3.107
  422    H    CYS  64           H        CYS  64  18.065   2.988   0.979
  423    HA   CYS  64           HA       CYS  64  18.783   0.754   2.804
  424   1HB   CYS  64          2HB       CYS  64  19.112   0.755   0.463
  425   2HB   CYS  64          1HB       CYS  64  20.181   2.129   0.524
  426    H    GLN  65           H        GLN  65  20.691   0.886   3.846
  427    HA   GLN  65           HA       GLN  65  21.991   3.482   4.541
  428   1HB   GLN  65          2HB       GLN  65  20.627   2.032   6.802
  429   2HB   GLN  65          1HB       GLN  65  21.458   3.543   6.896
  430   1HG   GLN  65          2HG       GLN  65  19.762   4.667   5.507
  431   2HG   GLN  65          1HG       GLN  65  18.839   3.169   5.407
  432   1HE2  GLN  65          1HE2      GLN  65  18.617   5.971   6.928
  433   2HE2  GLN  65          2HE2      GLN  65  18.029   5.479   8.443
  434    H    CYS  66           H        CYS  66  23.280   2.963   6.889
  435    HA   CYS  66           HA       CYS  66  24.748   0.438   6.493
  436   1HB   CYS  66          2HB       CYS  66  26.005   3.095   7.008
  437   2HB   CYS  66          1HB       CYS  66  26.737   1.611   6.831
  438    H    GLU  67           H        GLU  67  25.939  -0.251   8.258
  439    HA   GLU  67           HA       GLU  67  24.749   0.435  10.882
  440   1HB   GLU  67          2HB       GLU  67  25.169  -1.948  10.124
  441   2HB   GLU  67          1HB       GLU  67  26.886  -1.665  10.221
  442   1HG   GLU  67          2HG       GLU  67  24.880  -1.550  12.524
  443   2HG   GLU  67          1HG       GLU  67  26.021  -2.840  12.235
  444    H    GLU  68           H        GLU  68  25.628   2.565  10.866
  445    HA   GLU  68           HA       GLU  68  27.136   4.247  11.349
  446   1HB   GLU  68          2HB       GLU  68  28.116   2.047  13.208
  447   2HB   GLU  68          1HB       GLU  68  28.530   3.740  13.376
  448   1HG   GLU  68          2HG       GLU  68  26.114   4.304  13.632
  449   2HG   GLU  68          1HG       GLU  68  25.687   2.612  13.435
  450    H    GLY  69           H        GLY  69  29.450   1.681  11.868
  451   1HA   GLY  69          2HA       GLY  69  31.657   3.009  10.767
  452   2HA   GLY  69          1HA       GLY  69  31.597   1.298  11.147
  453    H    PHE  70           H        PHE  70  29.191   1.119   9.224
  454    HA   PHE  70           HA       PHE  70  30.769   0.414   6.982
  455   1HB   PHE  70          2HB       PHE  70  27.846   0.354   7.601
  456   2HB   PHE  70          1HB       PHE  70  28.400  -0.109   5.999
  457    HD1  PHE  70           1HD      PHE  70  27.368  -2.295   6.280
  458    HD2  PHE  70           2HD      PHE  70  30.374  -1.012   9.017
  459    HE1  PHE  70           1HE      PHE  70  27.598  -4.582   7.124
  460    HE2  PHE  70           2HE      PHE  70  30.590  -3.295   9.855
  461    HZ   PHE  70           HZ       PHE  70  29.205  -5.091   8.909
  462    H    GLN  71           H        GLN  71  30.364   1.164   4.796
  463    HA   GLN  71           HA       GLN  71  29.257   3.856   4.525
  464   1HB   GLN  71          2HB       GLN  71  32.029   2.873   4.028
  465   2HB   GLN  71          1HB       GLN  71  31.414   4.026   2.898
  466   1HG   GLN  71          2HG       GLN  71  31.490   4.415   5.939
  467   2HG   GLN  71          1HG       GLN  71  32.619   5.149   4.804
  468   1HE2  GLN  71          1HE2      GLN  71  30.939   6.750   6.459
  469   2HE2  GLN  71          2HE2      GLN  71  29.819   7.563   5.475
  470    H    LEU  72           H        LEU  72  29.455   4.550   2.254
  471    HA   LEU  72           HA       LEU  72  27.795   2.689   0.709
  472   1HB   LEU  72          2HB       LEU  72  27.367   5.148   0.741
  473   2HB   LEU  72          1HB       LEU  72  28.890   5.412  -0.081
  474    HG   LEU  72           HG       LEU  72  28.044   3.897  -1.953
  475   1HD1  LEU  72          1HD1      LEU  72  25.609   3.472  -2.086
  476   2HD1  LEU  72          2HD1      LEU  72  25.397   4.139  -0.479
  477   3HD1  LEU  72          3HD1      LEU  72  26.312   2.657  -0.703
  478   1HD2  LEU  72          1HD2      LEU  72  26.363   6.365  -1.334
  479   2HD2  LEU  72          2HD2      LEU  72  26.543   5.633  -2.924
  480   3HD2  LEU  72          3HD2      LEU  72  27.928   6.374  -2.136
  481    H    ASP  73           H        ASP  73  28.906   1.027  -0.039
  482    HA   ASP  73           HA       ASP  73  31.591   1.189  -1.148
  483   1HB   ASP  73          2HB       ASP  73  30.686  -0.912  -0.091
  484   2HB   ASP  73          1HB       ASP  73  29.533  -1.060  -1.405
  485    HA   PRO  74           HA       PRO  74  30.050   2.516  -5.159
  486   1HB   PRO  74          2HB       PRO  74  32.331   2.482  -6.570
  487   2HB   PRO  74          1HB       PRO  74  32.083   3.646  -5.291
  488   1HG   PRO  74          2HG       PRO  74  33.575   1.055  -5.165
  489   2HG   PRO  74          1HG       PRO  74  34.057   2.659  -4.581
  490   1HD   PRO  74          2HD       PRO  74  33.022   0.761  -2.947
  491   2HD   PRO  74          1HD       PRO  74  32.781   2.498  -2.671
  492    H    HIS  75           H        HIS  75  29.943   1.802  -7.338
  493    HA   HIS  75           HA       HIS  75  29.453   0.272  -9.020
  494   1HB   HIS  75          2HB       HIS  75  31.465  -1.528  -7.583
  495   2HB   HIS  75          1HB       HIS  75  30.893  -1.717  -9.231
  496    HD1  HIS  75           1HD      HIS  75  33.060   0.489  -7.201
  497    HD2  HIS  75           2HD      HIS  75  32.022   0.063 -11.125
  498    HE1  HIS  75           1HE      HIS  75  34.608   1.921  -8.487
  499    H    THR  76           H        THR  76  28.623  -0.135  -5.961
  500    HA   THR  76           HA       THR  76  26.711  -2.341  -6.510
  501    HB   THR  76           HB       THR  76  27.163  -3.229  -4.160
  502    HG1  THR  76           1HG      THR  76  27.991  -1.498  -3.200
  503   1HG2  THR  76          1HG2      THR  76  29.772  -2.984  -5.793
  504   2HG2  THR  76          2HG2      THR  76  28.559  -4.208  -6.132
  505   3HG2  THR  76          3HG2      THR  76  29.417  -4.221  -4.600
  506    H    LYS  77           H        LYS  77  27.738   0.246  -4.555
  507    HA   LYS  77           HA       LYS  77  26.673   1.960  -3.385
  508   1HB   LYS  77          2HB       LYS  77  24.306   0.993  -4.807
  509   2HB   LYS  77          1HB       LYS  77  24.355   2.500  -3.933
  510   1HG   LYS  77          2HG       LYS  77  26.288   3.221  -5.412
  511   2HG   LYS  77          1HG       LYS  77  26.067   1.755  -6.352
  512   1HD   LYS  77          2HD       LYS  77  23.748   2.435  -6.907
  513   2HD   LYS  77          1HD       LYS  77  23.946   3.897  -5.954
  514   1HE   LYS  77          2HE       LYS  77  25.811   4.619  -7.438
  515   2HE   LYS  77          1HE       LYS  77  25.615   3.159  -8.399
  516   1HZ   LYS  77          1HZ       LYS  77  23.396   5.049  -7.947
  517   2HZ   LYS  77          2HZ       LYS  77  23.528   3.837  -9.128
  518   3HZ   LYS  77          3HZ       LYS  77  24.496   5.229  -9.228
  519    H    ALA  78           H        ALA  78  26.657  -1.015  -2.645
  520    HA   ALA  78           HA       ALA  78  24.480  -1.140  -0.632
  521   1HB   ALA  78          1HB       ALA  78  25.259  -3.492  -0.354
  522   2HB   ALA  78          2HB       ALA  78  26.600  -3.178  -1.445
  523   3HB   ALA  78          3HB       ALA  78  24.950  -3.148  -2.049
  524    H    CYS  79           H        CYS  79  25.011  -1.470   1.603
  525    HA   CYS  79           HA       CYS  79  27.509  -0.113   2.360
  526   1HB   CYS  79          2HB       CYS  79  25.141  -0.925   3.986
  527   2HB   CYS  79          1HB       CYS  79  26.551  -0.176   4.660
  528    H    LYS  80           H        LYS  80  29.029  -0.766   3.615
  529    HA   LYS  80           HA       LYS  80  29.045  -3.293   5.044
  530   1HB   LYS  80          2HB       LYS  80  30.937  -4.159   3.994
  531   2HB   LYS  80          1HB       LYS  80  29.567  -4.216   2.907
  532   1HG   LYS  80          2HG       LYS  80  31.421  -3.603   1.494
  533   2HG   LYS  80          1HG       LYS  80  30.506  -2.134   1.735
  534   1HD   LYS  80          2HD       LYS  80  32.163  -1.318   3.372
  535   2HD   LYS  80          1HD       LYS  80  33.020  -2.850   3.298
  536   1HE   LYS  80          2HE       LYS  80  33.514  -2.344   0.893
  537   2HE   LYS  80          1HE       LYS  80  32.614  -0.836   1.043
  538   1HZ   LYS  80          1HZ       LYS  80  34.794  -1.414   2.914
  539   2HZ   LYS  80          2HZ       LYS  80  34.181   0.081   2.396
  540   3HZ   LYS  80          3HZ       LYS  80  35.149  -0.845   1.353
  541    H    ALA  81           H        ALA  81  31.276  -3.577   6.111
  542    HA   ALA  81           HA       ALA  81  32.034  -1.364   7.634
  543   1HB   ALA  81          1HB       ALA  81  32.689  -3.683   8.162
  544   2HB   ALA  81          2HB       ALA  81  34.103  -2.639   8.149
  545   3HB   ALA  81          3HB       ALA  81  33.782  -3.702   6.787
  546    H    VAL  82           H        VAL  82  32.839   0.540   7.082
  547    HA   VAL  82           HA       VAL  82  33.802   1.364   4.649
  548    HB   VAL  82           HB       VAL  82  33.216   2.869   6.520
  549   1HG1  VAL  82          1HG1      VAL  82  34.830   3.289   8.364
  550   2HG1  VAL  82          2HG1      VAL  82  35.897   2.044   7.736
  551   3HG1  VAL  82          3HG1      VAL  82  34.332   1.609   8.379
  552   1HG2  VAL  82          1HG2      VAL  82  34.548   3.806   4.672
  553   2HG2  VAL  82          2HG2      VAL  82  36.039   3.359   5.484
  554   3HG2  VAL  82          3HG2      VAL  82  34.985   4.572   6.190
  Start of MODEL   11
    1    H    GLY   1           H        GLY   1 -27.717  -1.571   1.776
    2   1HA   GLY   1          2HA       GLY   1 -26.275  -3.557   3.359
    3   2HA   GLY   1          1HA       GLY   1 -25.338  -2.912   2.009
    4    H    THR   2           H        THR   2 -25.760  -2.563   5.171
    5    HA   THR   2           HA       THR   2 -26.164   0.074   5.851
    6    HB   THR   2           HB       THR   2 -24.071  -1.782   7.057
    7    HG1  THR   2           1HG      THR   2 -26.325  -2.484   6.821
    8   1HG2  THR   2          1HG2      THR   2 -25.626   0.489   8.373
    9   2HG2  THR   2          2HG2      THR   2 -23.913   0.557   7.987
   10   3HG2  THR   2          3HG2      THR   2 -24.490  -0.594   9.167
   11    H    ASN   3           H        ASN   3 -24.694   1.712   6.468
   12    HA   ASN   3           HA       ASN   3 -22.414   2.057   4.578
   13   1HB   ASN   3          2HB       ASN   3 -24.424   3.615   4.499
   14   2HB   ASN   3          1HB       ASN   3 -24.031   4.135   6.122
   15   1HD2  ASN   3          1HD2      ASN   3 -24.010   6.190   4.488
   16   2HD2  ASN   3          2HD2      ASN   3 -22.450   6.650   4.001
   17    H    GLU   4           H        GLU   4 -21.656   0.482   6.345
   18    HA   GLU   4           HA       GLU   4 -20.959   1.351   8.958
   19   1HB   GLU   4          2HB       GLU   4 -19.631  -0.666   9.020
   20   2HB   GLU   4          1HB       GLU   4 -21.074  -1.028   8.112
   21   1HG   GLU   4          2HG       GLU   4 -18.289  -0.525   6.976
   22   2HG   GLU   4          1HG       GLU   4 -19.175  -2.029   6.969
   23    H    CYS   5           H        CYS   5 -19.853   2.501   6.071
   24    HA   CYS   5           HA       CYS   5 -17.088   2.822   6.467
   25   1HB   CYS   5          2HB       CYS   5 -19.038   4.469   4.856
   26   2HB   CYS   5          1HB       CYS   5 -17.319   4.521   4.686
   27    H    LEU   6           H        LEU   6 -19.885   4.693   7.135
   28    HA   LEU   6           HA       LEU   6 -19.063   7.190   7.875
   29   1HB   LEU   6          2HB       LEU   6 -21.160   5.486   9.245
   30   2HB   LEU   6          1HB       LEU   6 -21.070   7.232   9.311
   31    HG   LEU   6           HG       LEU   6 -21.485   5.591   6.769
   32   1HD1  LEU   6          1HD1      LEU   6 -23.439   5.581   8.286
   33   2HD1  LEU   6          2HD1      LEU   6 -23.785   6.546   6.859
   34   3HD1  LEU   6          3HD1      LEU   6 -23.396   7.337   8.379
   35   1HD2  LEU   6          1HD2      LEU   6 -21.579   8.625   7.199
   36   2HD2  LEU   6          2HD2      LEU   6 -21.943   7.804   5.694
   37   3HD2  LEU   6          3HD2      LEU   6 -20.312   7.782   6.323
   38    H    ASP   7           H        ASP   7 -19.258   4.419  10.023
   39    HA   ASP   7           HA       ASP   7 -17.759   5.827  12.202
   40   1HB   ASP   7          2HB       ASP   7 -19.917   4.462  12.642
   41   2HB   ASP   7          1HB       ASP   7 -19.015   3.053  12.107
   42    H    ASN   8           H        ASN   8 -16.518   3.506  13.154
   43    HA   ASN   8           HA       ASN   8 -14.057   3.469  11.914
   44   1HB   ASN   8          2HB       ASN   8 -15.474   1.391  13.397
   45   2HB   ASN   8          1HB       ASN   8 -13.766   1.253  13.061
   46   1HD2  ASN   8          1HD2      ASN   8 -16.099   3.600  14.554
   47   2HD2  ASN   8          2HD2      ASN   8 -15.023   4.113  15.759
   48    H    ASN   9           H        ASN   9 -13.580   2.869   9.886
   49    HA   ASN   9           HA       ASN   9 -15.144   1.920   7.878
   50   1HB   ASN   9          2HB       ASN   9 -12.836   2.763   7.669
   51   2HB   ASN   9          1HB       ASN   9 -12.231   1.245   8.329
   52   1HD2  ASN   9          1HD2      ASN   9 -12.458  -0.688   7.054
   53   2HD2  ASN   9          2HD2      ASN   9 -12.668  -0.598   5.381
   54    H    GLY  10           H        GLY  10 -16.605   0.361   8.653
   55   1HA   GLY  10          2HA       GLY  10 -17.474  -1.756   8.922
   56   2HA   GLY  10          1HA       GLY  10 -16.131  -2.288   7.926
   57    H    GLY  11           H        GLY  11 -15.055  -0.696  10.641
   58   1HA   GLY  11          2HA       GLY  11 -15.107  -1.895  12.958
   59   2HA   GLY  11          1HA       GLY  11 -14.310  -3.192  12.065
   60    H    CYS  12           H        CYS  12 -12.811  -1.479  10.331
   61    HA   CYS  12           HA       CYS  12 -10.687  -0.575  12.181
   62   1HB   CYS  12          2HB       CYS  12  -9.247  -0.951  10.333
   63   2HB   CYS  12          1HB       CYS  12 -10.295  -2.336  10.500
   64    H    SER  13           H        SER  13  -9.735   0.718   9.496
   65    HA   SER  13           HA       SER  13 -11.400   3.039   9.112
   66   1HB   SER  13          2HB       SER  13  -9.718   4.678  10.032
   67   2HB   SER  13          1HB       SER  13 -10.304   3.598  11.303
   68    HG   SER  13           HG       SER  13  -8.500   2.221  10.782
   69    H    HIS  14           H        HIS  14 -10.357   0.969   7.563
   70    HA   HIS  14           HA       HIS  14  -8.357   2.233   5.779
   71   1HB   HIS  14          2HB       HIS  14  -9.305  -0.651   6.119
   72   2HB   HIS  14          1HB       HIS  14  -8.069  -0.124   5.002
   73    HD1  HIS  14           1HD      HIS  14  -7.580  -2.028   7.477
   74    HD2  HIS  14           2HD      HIS  14  -6.631   1.944   7.394
   75    HE1  HIS  14           1HE      HIS  14  -5.827  -1.688   9.183
   76    H    VAL  15           H        VAL  15  -9.925  -0.193   4.200
   77    HA   VAL  15           HA       VAL  15 -11.805   1.659   2.825
   78    HB   VAL  15           HB       VAL  15  -9.871   0.842   1.575
   79   1HG1  VAL  15          1HG1      VAL  15  -9.477  -1.299   2.556
   80   2HG1  VAL  15          2HG1      VAL  15  -9.692  -1.499   0.826
   81   3HG1  VAL  15          3HG1      VAL  15 -10.977  -1.952   1.918
   82   1HG2  VAL  15          1HG2      VAL  15 -12.008   1.341   0.335
   83   2HG2  VAL  15          2HG2      VAL  15 -12.561  -0.303   0.603
   84   3HG2  VAL  15          3HG2      VAL  15 -11.192   0.000  -0.451
   85    H    CYS  16           H        CYS  16 -13.823   1.303   3.206
   86    HA   CYS  16           HA       CYS  16 -14.819  -1.113   4.484
   87   1HB   CYS  16          2HB       CYS  16 -16.935   0.174   4.439
   88   2HB   CYS  16          1HB       CYS  16 -15.642   1.048   5.196
   89    H    ASN  17           H        ASN  17 -14.722  -2.840   3.056
   90    HA   ASN  17           HA       ASN  17 -15.829  -2.468   0.328
   91   1HB   ASN  17          2HB       ASN  17 -13.709  -3.516   0.460
   92   2HB   ASN  17          1HB       ASN  17 -14.173  -4.598   1.735
   93   1HD2  ASN  17          1HD2      ASN  17 -15.011  -6.594   1.063
   94   2HD2  ASN  17          2HD2      ASN  17 -15.405  -6.990  -0.534
   95    H    ASP  18           H        ASP  18 -17.701  -2.099   0.957
   96    HA   ASP  18           HA       ASP  18 -19.494  -3.243   2.725
   97   1HB   ASP  18          2HB       ASP  18 -19.895  -1.142   1.520
   98   2HB   ASP  18          1HB       ASP  18 -20.127  -2.014   0.020
   99    H    LEU  19           H        LEU  19 -19.361  -5.408   2.814
  100    HA   LEU  19           HA       LEU  19 -19.916  -7.206   0.683
  101   1HB   LEU  19          2HB       LEU  19 -18.628  -7.493   2.971
  102   2HB   LEU  19          1HB       LEU  19 -20.214  -7.619   3.669
  103    HG   LEU  19           HG       LEU  19 -20.747  -9.599   2.284
  104   1HD1  LEU  19          1HD1      LEU  19 -18.869 -10.613   1.009
  105   2HD1  LEU  19          2HD1      LEU  19 -17.840  -9.258   1.469
  106   3HD1  LEU  19          3HD1      LEU  19 -19.199  -9.005   0.393
  107   1HD2  LEU  19          1HD2      LEU  19 -19.792  -9.783   4.547
  108   2HD2  LEU  19          2HD2      LEU  19 -18.170  -9.752   3.888
  109   3HD2  LEU  19          3HD2      LEU  19 -19.241 -11.105   3.542
  110    H    LYS  20           H        LYS  20 -21.850  -8.787   1.007
  111    HA   LYS  20           HA       LYS  20 -24.280  -7.206   0.977
  112   1HB   LYS  20          2HB       LYS  20 -25.376  -9.406   0.560
  113   2HB   LYS  20          1HB       LYS  20 -23.973  -9.202  -0.468
  114   1HG   LYS  20          2HG       LYS  20 -22.623 -10.614   1.108
  115   2HG   LYS  20          1HG       LYS  20 -24.057 -10.867   2.091
  116   1HD   LYS  20          2HD       LYS  20 -25.229 -11.902   0.177
  117   2HD   LYS  20          1HD       LYS  20 -23.808 -11.675  -0.827
  118   1HE   LYS  20          2HE       LYS  20 -23.913 -13.350   1.723
  119   2HE   LYS  20          1HE       LYS  20 -23.880 -13.985   0.085
  120   1HZ   LYS  20          1HZ       LYS  20 -21.697 -14.075   0.810
  121   2HZ   LYS  20          2HZ       LYS  20 -21.756 -12.538   1.528
  122   3HZ   LYS  20          3HZ       LYS  20 -21.742 -12.684  -0.164
  123    H    ILE  21           H        ILE  21 -22.796  -9.580   3.141
  124    HA   ILE  21           HA       ILE  21 -24.156  -8.473   5.488
  125    HB   ILE  21           HB       ILE  21 -24.203 -11.398   4.624
  126   1HG1  ILE  21          2HG1      ILE  21 -26.518  -9.432   4.995
  127   2HG1  ILE  21          1HG1      ILE  21 -25.938 -10.047   3.461
  128   1HG2  ILE  21          1HG2      ILE  21 -25.224 -10.076   7.169
  129   2HG2  ILE  21          2HG2      ILE  21 -23.835 -11.149   7.057
  130   3HG2  ILE  21          3HG2      ILE  21 -25.444 -11.778   6.770
  131   1HD1  ILE  21          1HD1      ILE  21 -27.951 -11.262   4.145
  132   2HD1  ILE  21          2HD1      ILE  21 -27.185 -11.771   5.633
  133   3HD1  ILE  21          3HD1      ILE  21 -26.573 -12.347   4.089
  134    H    GLY  22           H        GLY  22 -22.350  -7.923   6.650
  135   1HA   GLY  22          2HA       GLY  22 -20.606  -8.491   8.133
  136   2HA   GLY  22          1HA       GLY  22 -20.326  -9.924   7.182
  137    H    TYR  23           H        TYR  23 -20.534  -6.583   6.429
  138    HA   TYR  23           HA       TYR  23 -18.869  -6.013   4.387
  139   1HB   TYR  23          2HB       TYR  23 -18.699  -4.275   6.829
  140   2HB   TYR  23          1HB       TYR  23 -18.686  -3.795   5.142
  141    HD1  TYR  23           1HD      TYR  23 -20.858  -4.432   3.719
  142    HD2  TYR  23           2HD      TYR  23 -20.742  -4.276   7.961
  143    HE1  TYR  23           1HE      TYR  23 -23.300  -4.265   3.775
  144    HE2  TYR  23           2HE      TYR  23 -23.188  -4.111   8.022
  145    HH   TYR  23           HH       TYR  23 -25.028  -3.585   6.707
  146    H    GLU  24           H        GLU  24 -16.756  -5.330   4.025
  147    HA   GLU  24           HA       GLU  24 -14.770  -6.544   5.848
  148   1HB   GLU  24          2HB       GLU  24 -14.697  -6.057   2.893
  149   2HB   GLU  24          1HB       GLU  24 -13.432  -6.801   3.831
  150   1HG   GLU  24          2HG       GLU  24 -15.146  -8.502   4.581
  151   2HG   GLU  24          1HG       GLU  24 -16.277  -7.723   3.470
  152    H    CYS  25           H        CYS  25 -12.690  -5.889   5.764
  153    HA   CYS  25           HA       CYS  25 -12.143  -3.049   5.550
  154   1HB   CYS  25          2HB       CYS  25 -12.287  -3.595   7.980
  155   2HB   CYS  25          1HB       CYS  25 -11.243  -4.988   7.728
  156    H    LEU  26           H        LEU  26 -11.378  -3.739   3.424
  157    HA   LEU  26           HA       LEU  26  -9.099  -5.577   3.280
  158   1HB   LEU  26          2HB       LEU  26 -10.127  -3.698   1.108
  159   2HB   LEU  26          1HB       LEU  26  -9.254  -5.185   0.932
  160    HG   LEU  26           HG       LEU  26 -12.098  -4.976   1.958
  161   1HD1  LEU  26          1HD1      LEU  26 -11.063  -6.061  -0.688
  162   2HD1  LEU  26          2HD1      LEU  26 -11.996  -4.592  -0.463
  163   3HD1  LEU  26          3HD1      LEU  26 -12.716  -6.156  -0.133
  164   1HD2  LEU  26          1HD2      LEU  26 -10.469  -7.485   1.468
  165   2HD2  LEU  26          2HD2      LEU  26 -12.179  -7.421   1.870
  166   3HD2  LEU  26          3HD2      LEU  26 -10.989  -6.876   3.035
  167    H    CYS  27           H        CYS  27  -7.481  -4.240   1.526
  168    HA   CYS  27           HA       CYS  27  -6.075  -2.438   3.312
  169   1HB   CYS  27          2HB       CYS  27  -5.438  -3.610   0.653
  170   2HB   CYS  27          1HB       CYS  27  -4.414  -2.421   1.397
  171    HA   PRO  28           HA       PRO  28  -7.400   1.258   1.181
  172   1HB   PRO  28          2HB       PRO  28  -5.964   3.049   2.683
  173   2HB   PRO  28          1HB       PRO  28  -7.415   2.280   3.252
  174   1HG   PRO  28          2HG       PRO  28  -4.657   1.815   4.074
  175   2HG   PRO  28          1HG       PRO  28  -6.159   1.418   4.904
  176   1HD   PRO  28          2HD       PRO  28  -4.449  -0.333   3.399
  177   2HD   PRO  28          1HD       PRO  28  -5.950  -0.706   4.268
  178    H    ASP  29           H        ASP  29  -4.066   1.595   2.223
  179    HA   ASP  29           HA       ASP  29  -3.215   2.737  -0.325
  180   1HB   ASP  29          2HB       ASP  29  -1.156   3.202   0.885
  181   2HB   ASP  29          1HB       ASP  29  -2.501   3.607   1.920
  182    H    GLY  30           H        GLY  30  -0.599   1.854  -0.413
  183   1HA   GLY  30          2HA       GLY  30  -0.677  -0.362  -2.075
  184   2HA   GLY  30          1HA       GLY  30   0.775   0.292  -1.359
  185    H    PHE  31           H        PHE  31  -0.188  -0.322   1.392
  186    HA   PHE  31           HA       PHE  31   1.129  -2.700   1.944
  187   1HB   PHE  31          2HB       PHE  31  -1.179  -1.359   3.364
  188   2HB   PHE  31          1HB       PHE  31  -0.250  -2.658   4.060
  189    HD1  PHE  31           1HD      PHE  31   1.988  -0.725   2.016
  190    HD2  PHE  31           2HD      PHE  31  -0.019  -0.686   5.790
  191    HE1  PHE  31           1HE      PHE  31   3.649   0.801   2.881
  192    HE2  PHE  31           2HE      PHE  31   1.679   0.853   6.648
  193    HZ   PHE  31           HZ       PHE  31   3.521   1.585   5.182
  194    H    GLN  32           H        GLN  32   0.230  -4.604   3.073
  195    HA   GLN  32           HA       GLN  32  -1.914  -5.868   1.384
  196   1HB   GLN  32          2HB       GLN  32   0.345  -6.810   1.024
  197   2HB   GLN  32          1HB       GLN  32   0.513  -7.138   2.734
  198   1HG   GLN  32          2HG       GLN  32  -1.456  -8.715   2.595
  199   2HG   GLN  32          1HG       GLN  32  -1.594  -8.364   0.876
  200   1HE2  GLN  32          1HE2      GLN  32  -0.267 -10.533   3.064
  201   2HE2  GLN  32          2HE2      GLN  32   0.943 -11.195   2.074
  202    H    LEU  33           H        LEU  33  -3.321  -7.338   2.432
  203    HA   LEU  33           HA       LEU  33  -3.957  -6.540   5.197
  204   1HB   LEU  33          2HB       LEU  33  -5.665  -6.982   3.250
  205   2HB   LEU  33          1HB       LEU  33  -5.364  -8.683   3.527
  206    HG   LEU  33           HG       LEU  33  -5.926  -8.205   6.015
  207   1HD1  LEU  33          1HD1      LEU  33  -7.331  -6.189   6.405
  208   2HD1  LEU  33          2HD1      LEU  33  -7.027  -5.654   4.769
  209   3HD1  LEU  33          3HD1      LEU  33  -5.712  -5.729   5.924
  210   1HD2  LEU  33          1HD2      LEU  33  -8.153  -7.857   3.982
  211   2HD2  LEU  33          2HD2      LEU  33  -8.363  -8.317   5.663
  212   3HD2  LEU  33          3HD2      LEU  33  -7.516  -9.393   4.565
  213    H    VAL  34           H        VAL  34  -1.818  -7.393   5.796
  214    HA   VAL  34           HA       VAL  34  -1.398 -10.278   5.890
  215    HB   VAL  34           HB       VAL  34   0.141  -7.992   7.191
  216   1HG1  VAL  34          1HG1      VAL  34   0.969 -10.884   6.682
  217   2HG1  VAL  34          2HG1      VAL  34   0.631 -10.194   8.262
  218   3HG1  VAL  34          3HG1      VAL  34   2.010  -9.630   7.339
  219   1HG2  VAL  34          1HG2      VAL  34   1.691  -8.241   5.269
  220   2HG2  VAL  34          2HG2      VAL  34   0.081  -7.808   4.729
  221   3HG2  VAL  34          3HG2      VAL  34   0.638  -9.468   4.579
  222    H    ALA  35           H        ALA  35  -1.893  -7.756   8.298
  223    HA   ALA  35           HA       ALA  35  -2.162  -9.601  10.446
  224   1HB   ALA  35          1HB       ALA  35  -2.545  -7.511  11.789
  225   2HB   ALA  35          2HB       ALA  35  -2.549  -6.604  10.282
  226   3HB   ALA  35          3HB       ALA  35  -1.106  -7.455  10.788
  227    H    GLN  36           H        GLN  36  -4.037 -10.475   8.864
  228    HA   GLN  36           HA       GLN  36  -6.192 -11.231   8.785
  229   1HB   GLN  36          2HB       GLN  36  -6.509  -9.756  11.452
  230   2HB   GLN  36          1HB       GLN  36  -7.629 -10.923  10.797
  231   1HG   GLN  36          2HG       GLN  36  -5.885 -12.680  10.835
  232   2HG   GLN  36          1HG       GLN  36  -4.713 -11.521  11.453
  233   1HE2  GLN  36          1HE2      GLN  36  -7.857 -13.037  12.242
  234   2HE2  GLN  36          2HE2      GLN  36  -7.685 -12.889  13.925
  235    H    ARG  37           H        ARG  37  -6.957  -8.165  10.373
  236    HA   ARG  37           HA       ARG  37  -8.578  -7.372   7.984
  237   1HB   ARG  37          2HB       ARG  37  -9.048  -6.849  10.905
  238   2HB   ARG  37          1HB       ARG  37  -9.852  -5.932   9.659
  239   1HG   ARG  37          2HG       ARG  37 -11.319  -7.590  10.596
  240   2HG   ARG  37          1HG       ARG  37 -11.057  -7.848   8.892
  241   1HD   ARG  37          2HD       ARG  37  -9.445  -9.347  10.915
  242   2HD   ARG  37          1HD       ARG  37 -11.072  -9.885  10.460
  243    HE   ARG  37           HE       ARG  37  -9.399  -9.396   8.156
  244   1HH1  ARG  37          2HH1      ARG  37 -10.133 -11.656  10.682
  245   2HH1  ARG  37          1HH1      ARG  37  -9.612 -13.028   9.766
  246   1HH2  ARG  37          1HH2      ARG  37  -8.725 -11.130   6.977
  247   2HH2  ARG  37          2HH2      ARG  37  -8.803 -12.728   7.640
  248    H    ARG  38           H        ARG  38  -6.028  -6.650  10.120
  249    HA   ARG  38           HA       ARG  38  -5.939  -3.753   9.629
  250   1HB   ARG  38          2HB       ARG  38  -4.168  -5.714  11.112
  251   2HB   ARG  38          1HB       ARG  38  -3.681  -4.072  10.879
  252   1HG   ARG  38          2HG       ARG  38  -4.489  -4.432  13.118
  253   2HG   ARG  38          1HG       ARG  38  -5.528  -3.308  12.281
  254   1HD   ARG  38          2HD       ARG  38  -6.189  -6.240  12.495
  255   2HD   ARG  38          1HD       ARG  38  -6.639  -5.056  13.725
  256    HE   ARG  38           HE       ARG  38  -7.443  -4.597  10.884
  257   1HH1  ARG  38          2HH1      ARG  38  -8.321  -5.263  14.192
  258   2HH1  ARG  38          1HH1      ARG  38  -9.990  -4.906  13.916
  259   1HH2  ARG  38          1HH2      ARG  38  -9.550  -4.161  10.551
  260   2HH2  ARG  38          2HH2      ARG  38 -10.695  -4.280  11.846
  261    H    CYS  39           H        CYS  39  -4.930  -3.006   7.807
  262    HA   CYS  39           HA       CYS  39  -3.323  -4.933   6.218
  263   1HB   CYS  39          2HB       CYS  39  -5.109  -3.631   5.084
  264   2HB   CYS  39          1HB       CYS  39  -4.261  -2.154   5.479
  265    H    GLU  40           H        GLU  40  -1.234  -4.926   6.253
  266    HA   GLU  40           HA       GLU  40   0.296  -2.427   6.706
  267   1HB   GLU  40          2HB       GLU  40  -0.035  -3.571   8.910
  268   2HB   GLU  40          1HB       GLU  40   0.724  -5.009   8.257
  269   1HG   GLU  40          2HG       GLU  40   2.843  -3.738   7.899
  270   2HG   GLU  40          1HG       GLU  40   2.080  -2.284   8.515
  271    H    ASP  41           H        ASP  41   2.561  -2.669   6.135
  272    HA   ASP  41           HA       ASP  41   2.973  -4.550   3.885
  273   1HB   ASP  41          2HB       ASP  41   3.177  -2.219   3.432
  274   2HB   ASP  41          1HB       ASP  41   4.386  -1.975   4.670
  275    H    ILE  42           H        ILE  42   5.045  -5.423   3.643
  276    HA   ILE  42           HA       ILE  42   6.011  -6.584   6.068
  277    HB   ILE  42           HB       ILE  42   5.947  -7.884   3.942
  278   1HG1  ILE  42          2HG1      ILE  42   8.816  -7.470   4.930
  279   2HG1  ILE  42          1HG1      ILE  42   7.630  -8.494   5.710
  280   1HG2  ILE  42          1HG2      ILE  42   6.453  -6.006   2.378
  281   2HG2  ILE  42          2HG2      ILE  42   7.541  -7.339   2.089
  282   3HG2  ILE  42          3HG2      ILE  42   8.102  -5.932   2.971
  283   1HD1  ILE  42          1HD1      ILE  42   8.715  -8.887   2.883
  284   2HD1  ILE  42          2HD1      ILE  42   7.515  -9.908   3.663
  285   3HD1  ILE  42          3HD1      ILE  42   9.151  -9.823   4.297
  286    H    ASP  43           H        ASP  43   8.187  -6.316   6.929
  287    HA   ASP  43           HA       ASP  43   9.277  -3.586   6.499
  288   1HB   ASP  43          2HB       ASP  43   8.907  -4.503   8.837
  289   2HB   ASP  43          1HB       ASP  43  10.094  -5.751   8.508
  290    H    GLU  44           H        GLU  44  10.529  -3.567   4.720
  291    HA   GLU  44           HA       GLU  44  12.058  -5.922   3.937
  292   1HB   GLU  44          2HB       GLU  44  12.741  -4.451   2.007
  293   2HB   GLU  44          1HB       GLU  44  11.031  -4.730   2.164
  294   1HG   GLU  44          2HG       GLU  44  12.420  -2.210   3.131
  295   2HG   GLU  44          1HG       GLU  44  11.689  -2.401   1.553
  296    H    CYS  45           H        CYS  45  12.763  -3.404   6.121
  297    HA   CYS  45           HA       CYS  45  15.513  -3.110   5.432
  298   1HB   CYS  45          2HB       CYS  45  13.882  -2.317   7.817
  299   2HB   CYS  45          1HB       CYS  45  15.592  -2.188   7.874
  300    H    GLN  46           H        GLN  46  13.994  -4.347   8.338
  301    HA   GLN  46           HA       GLN  46  15.975  -5.589   9.697
  302   1HB   GLN  46          2HB       GLN  46  13.166  -6.640   9.217
  303   2HB   GLN  46          1HB       GLN  46  14.219  -7.175  10.506
  304   1HG   GLN  46          2HG       GLN  46  14.291  -4.867  11.433
  305   2HG   GLN  46          1HG       GLN  46  13.240  -4.306  10.143
  306   1HE2  GLN  46          1HE2      GLN  46  13.317  -5.846  13.234
  307   2HE2  GLN  46          2HE2      GLN  46  11.659  -6.185  13.349
  308    H    ASP  47           H        ASP  47  14.238  -7.026   7.004
  309    HA   ASP  47           HA       ASP  47  15.717  -9.459   7.086
  310   1HB   ASP  47          2HB       ASP  47  13.403  -9.449   6.247
  311   2HB   ASP  47          1HB       ASP  47  13.849  -8.338   4.963
  312    HA   PRO  48           HA       PRO  48  19.254  -7.812   4.848
  313   1HB   PRO  48          2HB       PRO  48  19.523 -10.605   3.755
  314   2HB   PRO  48          1HB       PRO  48  20.703  -9.627   4.592
  315   1HG   PRO  48          2HG       PRO  48  19.508 -11.632   5.840
  316   2HG   PRO  48          1HG       PRO  48  19.868 -10.119   6.689
  317   1HD   PRO  48          2HD       PRO  48  17.261 -11.118   5.619
  318   2HD   PRO  48          1HD       PRO  48  17.621 -10.235   7.121
  319    H    ASP  49           H        ASP  49  18.414  -6.502   3.364
  320    HA   ASP  49           HA       ASP  49  17.779  -7.628   0.686
  321   1HB   ASP  49          2HB       ASP  49  15.640  -7.178   1.830
  322   2HB   ASP  49          1HB       ASP  49  16.157  -5.546   2.210
  323    H    THR  50           H        THR  50  17.759  -4.383   2.063
  324    HA   THR  50           HA       THR  50  19.406  -3.385  -0.168
  325    HB   THR  50           HB       THR  50  18.212  -1.823   2.228
  326    HG1  THR  50           1HG      THR  50  16.695  -3.022   1.032
  327   1HG2  THR  50          1HG2      THR  50  19.908  -0.643   0.599
  328   2HG2  THR  50          2HG2      THR  50  18.285   0.028   0.562
  329   3HG2  THR  50          3HG2      THR  50  18.814  -1.067  -0.700
  330    H    CYS  51           H        CYS  51  19.831  -2.214   3.147
  331    HA   CYS  51           HA       CYS  51  22.725  -2.532   2.888
  332   1HB   CYS  51          2HB       CYS  51  20.856  -1.374   4.916
  333   2HB   CYS  51          1HB       CYS  51  22.510  -1.658   5.368
  334    H    SER  52           H        SER  52  24.086  -3.865   4.141
  335    HA   SER  52           HA       SER  52  22.901  -6.379   4.960
  336   1HB   SER  52          2HB       SER  52  25.298  -6.985   5.364
  337   2HB   SER  52          1HB       SER  52  25.124  -6.200   3.791
  338    HG   SER  52           HG       SER  52  26.669  -5.036   4.745
  339    H    GLN  53           H        GLN  53  23.153  -3.462   6.479
  340    HA   GLN  53           HA       GLN  53  23.009  -4.741   9.157
  341   1HB   GLN  53          2HB       GLN  53  24.673  -2.316   8.436
  342   2HB   GLN  53          1HB       GLN  53  24.375  -2.831  10.075
  343   1HG   GLN  53          2HG       GLN  53  25.841  -4.360   7.889
  344   2HG   GLN  53          1HG       GLN  53  26.540  -3.589   9.306
  345   1HE2  GLN  53          1HE2      GLN  53  26.706  -6.434   8.540
  346   2HE2  GLN  53          2HE2      GLN  53  26.055  -7.310   9.841
  347    H    LEU  54           H        LEU  54  23.151  -1.270   8.708
  348    HA   LEU  54           HA       LEU  54  20.576  -1.029  10.020
  349   1HB   LEU  54          2HB       LEU  54  22.572   0.040  10.855
  350   2HB   LEU  54          1HB       LEU  54  22.830   0.824   9.316
  351    HG   LEU  54           HG       LEU  54  20.253   1.392  10.836
  352   1HD1  LEU  54          1HD1      LEU  54  21.465   3.289  11.855
  353   2HD1  LEU  54          2HD1      LEU  54  22.973   2.771  11.101
  354   3HD1  LEU  54          3HD1      LEU  54  22.230   1.783  12.353
  355   1HD2  LEU  54          1HD2      LEU  54  22.140   2.933   9.036
  356   2HD2  LEU  54          2HD2      LEU  54  20.559   3.514   9.563
  357   3HD2  LEU  54          3HD2      LEU  54  20.681   2.207   8.411
  358    H    CYS  55           H        CYS  55  19.032   0.214   9.424
  359    HA   CYS  55           HA       CYS  55  18.713   1.472   6.817
  360   1HB   CYS  55          2HB       CYS  55  18.499  -0.883   6.226
  361   2HB   CYS  55          1HB       CYS  55  17.374  -1.198   7.469
  362    H    VAL  56           H        VAL  56  16.114   1.933   6.680
  363    HA   VAL  56           HA       VAL  56  15.000   2.527   9.366
  364    HB   VAL  56           HB       VAL  56  15.356   4.645   7.165
  365   1HG1  VAL  56          1HG1      VAL  56  14.419   6.219   8.847
  366   2HG1  VAL  56          2HG1      VAL  56  14.202   4.894   9.979
  367   3HG1  VAL  56          3HG1      VAL  56  13.269   4.943   8.493
  368   1HG2  VAL  56          1HG2      VAL  56  17.511   4.204   8.327
  369   2HG2  VAL  56          2HG2      VAL  56  16.730   4.456   9.879
  370   3HG2  VAL  56          3HG2      VAL  56  16.891   5.787   8.745
  371    H    ASN  57           H        ASN  57  13.307   1.185   9.062
  372    HA   ASN  57           HA       ASN  57  11.883   1.018   6.517
  373   1HB   ASN  57          2HB       ASN  57  12.162  -0.978   8.025
  374   2HB   ASN  57          1HB       ASN  57  11.148  -0.166   9.211
  375   1HD2  ASN  57          1HD2      ASN  57   9.261  -1.421   9.167
  376   2HD2  ASN  57          2HD2      ASN  57   8.347  -1.710   7.766
  377    H    LEU  58           H        LEU  58   9.703   1.277   6.311
  378    HA   LEU  58           HA       LEU  58   7.843   2.706   7.940
  379   1HB   LEU  58          2HB       LEU  58   7.810   4.922   6.883
  380   2HB   LEU  58          1HB       LEU  58   9.354   4.659   7.609
  381    HG   LEU  58           HG       LEU  58   8.929   4.243   4.619
  382   1HD1  LEU  58          1HD1      LEU  58   8.437   6.610   5.280
  383   2HD1  LEU  58          2HD1      LEU  58   9.935   6.502   4.373
  384   3HD1  LEU  58          3HD1      LEU  58   9.978   6.693   6.119
  385   1HD2  LEU  58          1HD2      LEU  58  10.977   3.181   5.614
  386   2HD2  LEU  58          2HD2      LEU  58  11.398   4.720   6.348
  387   3HD2  LEU  58          3HD2      LEU  58  11.398   4.542   4.613
  388    H    GLU  59           H        GLU  59   6.723   4.123   5.768
  389    HA   GLU  59           HA       GLU  59   5.210   1.993   4.566
  390   1HB   GLU  59          2HB       GLU  59   4.220   4.299   5.146
  391   2HB   GLU  59          1HB       GLU  59   5.229   5.003   3.899
  392   1HG   GLU  59          2HG       GLU  59   3.966   3.666   2.142
  393   2HG   GLU  59          1HG       GLU  59   2.978   2.981   3.402
  394    H    GLY  60           H        GLY  60   6.694   0.845   3.784
  395   1HA   GLY  60          2HA       GLY  60   7.891  -0.174   2.156
  396   2HA   GLY  60          1HA       GLY  60   6.819   0.685   1.058
  397    H    GLY  61           H        GLY  61   8.282   3.016   2.760
  398   1HA   GLY  61          2HA       GLY  61  10.169   3.718   0.621
  399   2HA   GLY  61          1HA       GLY  61   9.675   4.742   1.959
  400    H    TYR  62           H        TYR  62  10.879   1.625   2.641
  401    HA   TYR  62           HA       TYR  62  12.735   2.142   4.532
  402   1HB   TYR  62          2HB       TYR  62  14.051   0.165   3.879
  403   2HB   TYR  62          1HB       TYR  62  12.342  -0.152   3.765
  404    HD1  TYR  62           1HD      TYR  62  11.257   0.142   1.394
  405    HD2  TYR  62           2HD      TYR  62  15.458  -0.102   2.000
  406    HE1  TYR  62           1HE      TYR  62  11.565  -0.391  -0.973
  407    HE2  TYR  62           2HE      TYR  62  15.767  -0.633  -0.367
  408    HH   TYR  62           HH       TYR  62  14.167  -1.766  -2.215
  409    H    LYS  63           H        LYS  63  14.624   3.152   4.855
  410    HA   LYS  63           HA       LYS  63  16.178   4.046   2.489
  411   1HB   LYS  63          2HB       LYS  63  16.311   5.082   5.298
  412   2HB   LYS  63          1HB       LYS  63  16.992   5.743   3.861
  413   1HG   LYS  63          2HG       LYS  63  14.782   6.247   2.883
  414   2HG   LYS  63          1HG       LYS  63  13.989   5.552   4.282
  415   1HD   LYS  63          2HD       LYS  63  14.008   7.996   4.475
  416   2HD   LYS  63          1HD       LYS  63  14.987   7.291   5.744
  417   1HE   LYS  63          2HE       LYS  63  17.057   7.792   4.440
  418   2HE   LYS  63          1HE       LYS  63  16.079   8.465   3.142
  419   1HZ   LYS  63          1HZ       LYS  63  15.153   9.897   5.107
  420   2HZ   LYS  63          2HZ       LYS  63  16.584  10.322   4.297
  421   3HZ   LYS  63          3HZ       LYS  63  16.660   9.527   5.796
  422    H    CYS  64           H        CYS  64  18.268   3.718   2.555
  423    HA   CYS  64           HA       CYS  64  19.384   1.730   4.485
  424   1HB   CYS  64          2HB       CYS  64  19.019   1.038   2.311
  425   2HB   CYS  64          1HB       CYS  64  19.963   2.371   1.695
  426    H    GLN  65           H        GLN  65  21.171   1.937   5.157
  427    HA   GLN  65           HA       GLN  65  23.148   4.067   4.660
  428   1HB   GLN  65          2HB       GLN  65  22.029   4.030   7.480
  429   2HB   GLN  65          1HB       GLN  65  23.125   5.159   6.787
  430   1HG   GLN  65          2HG       GLN  65  21.444   6.157   5.347
  431   2HG   GLN  65          1HG       GLN  65  20.226   5.024   5.927
  432   1HE2  GLN  65          1HE2      GLN  65  22.092   7.878   6.783
  433   2HE2  GLN  65          2HE2      GLN  65  21.266   8.204   8.230
  434    H    CYS  66           H        CYS  66  24.745   3.923   6.757
  435    HA   CYS  66           HA       CYS  66  25.392   1.021   6.954
  436   1HB   CYS  66          2HB       CYS  66  27.229   3.394   7.260
  437   2HB   CYS  66          1HB       CYS  66  27.606   1.747   7.101
  438    H    GLU  67           H        GLU  67  26.631   0.293   8.597
  439    HA   GLU  67           HA       GLU  67  25.501   0.842  11.246
  440   1HB   GLU  67          2HB       GLU  67  25.780  -1.445  10.256
  441   2HB   GLU  67          1HB       GLU  67  27.506  -1.231  10.270
  442   1HG   GLU  67          2HG       GLU  67  27.481  -1.068  12.775
  443   2HG   GLU  67          1HG       GLU  67  25.735  -1.246  12.750
  444    H    GLU  68           H        GLU  68  26.660   3.001  10.826
  445    HA   GLU  68           HA       GLU  68  28.255   4.557  11.466
  446   1HB   GLU  68          2HB       GLU  68  28.970   2.354  13.478
  447   2HB   GLU  68          1HB       GLU  68  29.518   4.005  13.582
  448   1HG   GLU  68          2HG       GLU  68  27.571   3.662  15.058
  449   2HG   GLU  68          1HG       GLU  68  27.129   4.767  13.775
  450    H    GLY  69           H        GLY  69  30.279   1.787  12.204
  451   1HA   GLY  69          2HA       GLY  69  32.625   2.742  11.028
  452   2HA   GLY  69          1HA       GLY  69  32.332   1.058  11.436
  453    H    PHE  70           H        PHE  70  29.935   1.069   9.621
  454    HA   PHE  70           HA       PHE  70  31.301   0.217   7.286
  455   1HB   PHE  70          2HB       PHE  70  28.415   0.355   8.115
  456   2HB   PHE  70          1HB       PHE  70  28.836  -0.170   6.498
  457    HD1  PHE  70           1HD      PHE  70  27.818  -2.323   6.796
  458    HD2  PHE  70           2HD      PHE  70  30.889  -1.096   9.477
  459    HE1  PHE  70           1HE      PHE  70  28.015  -4.613   7.645
  460    HE2  PHE  70           2HE      PHE  70  31.068  -3.376  10.328
  461    HZ   PHE  70           HZ       PHE  70  29.635  -5.151   9.410
  462    H    GLN  71           H        GLN  71  30.733   0.979   5.101
  463    HA   GLN  71           HA       GLN  71  29.820   3.744   4.915
  464   1HB   GLN  71          2HB       GLN  71  32.437   2.541   4.124
  465   2HB   GLN  71          1HB       GLN  71  31.793   3.748   3.068
  466   1HG   GLN  71          2HG       GLN  71  32.233   4.115   6.082
  467   2HG   GLN  71          1HG       GLN  71  33.288   4.766   4.829
  468   1HE2  GLN  71          1HE2      GLN  71  31.971   6.512   6.619
  469   2HE2  GLN  71          2HE2      GLN  71  30.799   7.404   5.775
  470    H    LEU  72           H        LEU  72  29.778   4.412   2.669
  471    HA   LEU  72           HA       LEU  72  27.870   2.643   1.313
  472   1HB   LEU  72          2HB       LEU  72  27.555   5.115   1.406
  473   2HB   LEU  72          1HB       LEU  72  28.989   5.324   0.421
  474    HG   LEU  72           HG       LEU  72  27.876   3.872  -1.356
  475   1HD1  LEU  72          1HD1      LEU  72  25.418   4.211   0.399
  476   2HD1  LEU  72          2HD1      LEU  72  26.232   2.692   0.066
  477   3HD1  LEU  72          3HD1      LEU  72  25.424   3.556  -1.227
  478   1HD2  LEU  72          1HD2      LEU  72  26.357   5.687  -2.136
  479   2HD2  LEU  72          2HD2      LEU  72  27.857   6.350  -1.502
  480   3HD2  LEU  72          3HD2      LEU  72  26.391   6.402  -0.529
  481    H    ASP  73           H        ASP  73  28.812   0.939   0.421
  482    HA   ASP  73           HA       ASP  73  31.375   0.985  -0.943
  483   1HB   ASP  73          2HB       ASP  73  30.414  -1.096   0.130
  484   2HB   ASP  73          1HB       ASP  73  29.170  -1.129  -1.104
  485    HA   PRO  74           HA       PRO  74  29.577   2.528  -4.765
  486   1HB   PRO  74          2HB       PRO  74  31.722   2.427  -6.369
  487   2HB   PRO  74          1HB       PRO  74  31.665   3.540  -5.024
  488   1HG   PRO  74          2HG       PRO  74  32.989   0.857  -5.144
  489   2HG   PRO  74          1HG       PRO  74  33.625   2.399  -4.542
  490   1HD   PRO  74          2HD       PRO  74  32.609   0.492  -2.899
  491   2HD   PRO  74          1HD       PRO  74  32.526   2.224  -2.529
  492    H    HIS  75           H        HIS  75  29.250   1.883  -6.962
  493    HA   HIS  75           HA       HIS  75  28.521   0.424  -8.622
  494   1HB   HIS  75          2HB       HIS  75  30.575  -1.496  -7.422
  495   2HB   HIS  75          1HB       HIS  75  29.838  -1.619  -9.012
  496    HD1  HIS  75           1HD      HIS  75  32.234   0.516  -7.144
  497    HD2  HIS  75           2HD      HIS  75  30.917   0.083 -10.985
  498    HE1  HIS  75           1HE      HIS  75  33.723   1.896  -8.548
  499    H    THR  76           H        THR  76  27.932  -0.011  -5.530
  500    HA   THR  76           HA       THR  76  25.893  -2.133  -5.947
  501    HB   THR  76           HB       THR  76  26.487  -3.068  -3.652
  502    HG1  THR  76           1HG      THR  76  28.478  -2.280  -2.833
  503   1HG2  THR  76          1HG2      THR  76  27.687  -4.082  -5.731
  504   2HG2  THR  76          2HG2      THR  76  28.657  -4.146  -4.269
  505   3HG2  THR  76          3HG2      THR  76  28.971  -2.913  -5.477
  506    H    LYS  77           H        LYS  77  27.173   0.388  -4.036
  507    HA   LYS  77           HA       LYS  77  26.258   2.126  -2.777
  508   1HB   LYS  77          2HB       LYS  77  23.753   1.240  -3.998
  509   2HB   LYS  77          1HB       LYS  77  23.918   2.749  -3.145
  510   1HG   LYS  77          2HG       LYS  77  25.722   3.426  -4.782
  511   2HG   LYS  77          1HG       LYS  77  25.421   1.965  -5.698
  512   1HD   LYS  77          2HD       LYS  77  23.388   4.174  -5.185
  513   2HD   LYS  77          1HD       LYS  77  24.257   3.923  -6.683
  514   1HE   LYS  77          2HE       LYS  77  23.169   1.685  -6.935
  515   2HE   LYS  77          1HE       LYS  77  22.276   1.956  -5.444
  516   1HZ   LYS  77          1HZ       LYS  77  22.117   3.619  -7.883
  517   2HZ   LYS  77          2HZ       LYS  77  21.291   3.920  -6.431
  518   3HZ   LYS  77          3HZ       LYS  77  20.945   2.521  -7.330
  519    H    ALA  78           H        ALA  78  26.210  -0.856  -2.080
  520    HA   ALA  78           HA       ALA  78  24.212  -0.945   0.114
  521   1HB   ALA  78          1HB       ALA  78  24.875  -3.340   0.247
  522   2HB   ALA  78          2HB       ALA  78  26.119  -3.065  -0.965
  523   3HB   ALA  78          3HB       ALA  78  24.421  -2.916  -1.398
  524    H    CYS  79           H        CYS  79  24.863  -1.115   2.262
  525    HA   CYS  79           HA       CYS  79  27.532  -0.061   2.820
  526   1HB   CYS  79          2HB       CYS  79  25.181  -0.601   4.580
  527   2HB   CYS  79          1HB       CYS  79  26.713  -0.075   5.209
  528    H    LYS  80           H        LYS  80  29.071  -0.829   3.976
  529    HA   LYS  80           HA       LYS  80  28.976  -3.363   5.391
  530   1HB   LYS  80          2HB       LYS  80  30.754  -4.334   4.237
  531   2HB   LYS  80          1HB       LYS  80  29.300  -4.323   3.255
  532   1HG   LYS  80          2HG       LYS  80  31.072  -3.822   1.696
  533   2HG   LYS  80          1HG       LYS  80  30.264  -2.302   1.994
  534   1HD   LYS  80          2HD       LYS  80  32.080  -1.584   3.498
  535   2HD   LYS  80          1HD       LYS  80  32.845  -3.162   3.369
  536   1HE   LYS  80          2HE       LYS  80  33.179  -2.684   0.929
  537   2HE   LYS  80          1HE       LYS  80  32.397  -1.119   1.154
  538   1HZ   LYS  80          1HZ       LYS  80  34.752  -0.869   1.253
  539   2HZ   LYS  80          2HZ       LYS  80  34.879  -2.043   2.473
  540   3HZ   LYS  80          3HZ       LYS  80  34.100  -0.571   2.793
  541    H    ALA  81           H        ALA  81  31.319  -3.808   6.293
  542    HA   ALA  81           HA       ALA  81  32.312  -1.643   7.758
  543   1HB   ALA  81          1HB       ALA  81  33.857  -4.073   6.786
  544   2HB   ALA  81          2HB       ALA  81  32.879  -3.986   8.243
  545   3HB   ALA  81          3HB       ALA  81  34.344  -3.025   8.111
  546    H    VAL  82           H        VAL  82  33.319   0.194   7.236
  547    HA   VAL  82           HA       VAL  82  34.069   1.030   4.733
  548    HB   VAL  82           HB       VAL  82  33.869   2.509   6.698
  549   1HG1  VAL  82          1HG1      VAL  82  35.710   2.650   8.369
  550   2HG1  VAL  82          2HG1      VAL  82  36.545   1.320   7.583
  551   3HG1  VAL  82          3HG1      VAL  82  35.015   1.040   8.381
  552   1HG2  VAL  82          1HG2      VAL  82  36.617   2.726   5.401
  553   2HG2  VAL  82          2HG2      VAL  82  35.783   4.013   6.253
  554   3HG2  VAL  82          3HG2      VAL  82  35.121   3.381   4.757
  Start of MODEL   12
    1    H    GLY   1           H        GLY   1 -20.019  -3.705  -6.518
    2   1HA   GLY   1          2HA       GLY   1 -22.897  -4.486  -6.592
    3   2HA   GLY   1          1HA       GLY   1 -21.820  -5.113  -5.343
    4    H    THR   2           H        THR   2 -22.618  -4.173  -3.564
    5    HA   THR   2           HA       THR   2 -23.755  -1.659  -3.262
    6    HB   THR   2           HB       THR   2 -22.352  -3.503  -1.291
    7    HG1  THR   2           1HG      THR   2 -24.137  -4.300  -2.351
    8   1HG2  THR   2          1HG2      THR   2 -23.626  -2.446   0.525
    9   2HG2  THR   2          2HG2      THR   2 -24.295  -1.253  -0.581
   10   3HG2  THR   2          3HG2      THR   2 -22.587  -1.236  -0.175
   11    H    ASN   3           H        ASN   3 -22.889  -0.020  -1.689
   12    HA   ASN   3           HA       ASN   3 -20.064   0.760  -2.233
   13   1HB   ASN   3          2HB       ASN   3 -21.930   1.921  -3.516
   14   2HB   ASN   3          1HB       ASN   3 -22.522   2.534  -2.000
   15   1HD2  ASN   3          1HD2      ASN   3 -19.534   2.788  -1.051
   16   2HD2  ASN   3          2HD2      ASN   3 -19.052   4.251  -1.760
   17    H    GLU   4           H        GLU   4 -19.904  -0.533  -0.192
   18    HA   GLU   4           HA       GLU   4 -21.184   0.222   2.224
   19   1HB   GLU   4          2HB       GLU   4 -18.410  -1.002   2.155
   20   2HB   GLU   4          1HB       GLU   4 -19.675  -1.112   3.344
   21   1HG   GLU   4          2HG       GLU   4 -19.606  -3.247   2.325
   22   2HG   GLU   4          1HG       GLU   4 -21.055  -2.463   1.722
   23    H    CYS   5           H        CYS   5 -18.810   1.881   0.483
   24    HA   CYS   5           HA       CYS   5 -17.290   2.899   2.627
   25   1HB   CYS   5          2HB       CYS   5 -17.726   3.760  -0.206
   26   2HB   CYS   5          1HB       CYS   5 -16.768   4.728   0.853
   27    H    LEU   6           H        LEU   6 -20.203   3.869   1.128
   28    HA   LEU   6           HA       LEU   6 -20.571   6.524   1.727
   29   1HB   LEU   6          2HB       LEU   6 -22.592   4.273   1.958
   30   2HB   LEU   6          1HB       LEU   6 -22.988   5.969   1.760
   31    HG   LEU   6           HG       LEU   6 -21.379   4.302  -0.221
   32   1HD1  LEU   6          1HD1      LEU   6 -24.247   5.354  -0.329
   33   2HD1  LEU   6          2HD1      LEU   6 -23.786   3.670  -0.123
   34   3HD1  LEU   6          3HD1      LEU   6 -23.443   4.500  -1.635
   35   1HD2  LEU   6          1HD2      LEU   6 -22.482   7.144  -0.490
   36   2HD2  LEU   6          2HD2      LEU   6 -21.660   6.249  -1.756
   37   3HD2  LEU   6          3HD2      LEU   6 -20.783   6.738  -0.325
   38    H    ASP   7           H        ASP   7 -21.383   3.791   3.767
   39    HA   ASP   7           HA       ASP   7 -21.567   5.493   6.229
   40   1HB   ASP   7          2HB       ASP   7 -23.452   3.846   5.551
   41   2HB   ASP   7          1HB       ASP   7 -22.262   2.569   5.747
   42    H    ASN   8           H        ASN   8 -20.830   3.396   7.929
   43    HA   ASN   8           HA       ASN   8 -18.090   3.628   8.178
   44   1HB   ASN   8          2HB       ASN   8 -19.815   1.367   8.877
   45   2HB   ASN   8          1HB       ASN   8 -18.231   1.611   9.582
   46   1HD2  ASN   8          1HD2      ASN   8 -17.952   3.740  10.794
   47   2HD2  ASN   8          2HD2      ASN   8 -19.298   4.387  11.603
   48    H    ASN   9           H        ASN   9 -16.616   3.085   6.659
   49    HA   ASN   9           HA       ASN   9 -16.895   1.750   4.299
   50   1HB   ASN   9          2HB       ASN   9 -14.918   3.045   5.023
   51   2HB   ASN   9          1HB       ASN   9 -14.459   1.704   6.073
   52   1HD2  ASN   9          1HD2      ASN   9 -13.738  -0.257   5.128
   53   2HD2  ASN   9          2HD2      ASN   9 -13.209  -0.329   3.529
   54    H    GLY  10           H        GLY  10 -18.185  -0.034   4.442
   55   1HA   GLY  10          2HA       GLY  10 -18.725  -2.308   4.634
   56   2HA   GLY  10          1HA       GLY  10 -17.006  -2.568   4.453
   57    H    GLY  11           H        GLY  11 -17.807  -0.643   7.084
   58   1HA   GLY  11          2HA       GLY  11 -18.733  -1.654   9.265
   59   2HA   GLY  11          1HA       GLY  11 -17.441  -2.842   9.062
   60    H    CYS  12           H        CYS  12 -15.550  -0.977   7.962
   61    HA   CYS  12           HA       CYS  12 -14.679   0.401  10.428
   62   1HB   CYS  12          2HB       CYS  12 -12.511   0.200   9.474
   63   2HB   CYS  12          1HB       CYS  12 -13.332  -1.338   9.296
   64    H    SER  13           H        SER  13 -12.825   1.727   8.284
   65    HA   SER  13           HA       SER  13 -14.453   3.673   6.921
   66   1HB   SER  13          2HB       SER  13 -13.605   5.641   8.265
   67   2HB   SER  13          1HB       SER  13 -14.553   4.544   9.279
   68    HG   SER  13           HG       SER  13 -11.729   4.530   8.955
   69    H    HIS  14           H        HIS  14 -12.531   1.750   6.280
   70    HA   HIS  14           HA       HIS  14 -10.141   3.267   5.408
   71   1HB   HIS  14          2HB       HIS  14 -10.707   0.274   5.623
   72   2HB   HIS  14          1HB       HIS  14  -9.183   0.995   5.177
   73    HD1  HIS  14           1HD      HIS  14  -9.620  -0.733   7.743
   74    HD2  HIS  14           2HD      HIS  14  -9.483   3.348   7.754
   75    HE1  HIS  14           1HE      HIS  14  -9.015  -0.064  10.038
   76    H    VAL  15           H        VAL  15 -10.437   0.514   3.640
   77    HA   VAL  15           HA       VAL  15 -11.730   1.866   1.327
   78    HB   VAL  15           HB       VAL  15  -9.322   1.471   1.233
   79   1HG1  VAL  15          1HG1      VAL  15  -9.032  -0.487   2.607
   80   2HG1  VAL  15          2HG1      VAL  15  -8.347  -0.785   1.021
   81   3HG1  VAL  15          3HG1      VAL  15  -9.881  -1.500   1.452
   82   1HG2  VAL  15          1HG2      VAL  15  -9.299   0.254  -1.007
   83   2HG2  VAL  15          2HG2      VAL  15 -10.630   1.396  -0.910
   84   3HG2  VAL  15          3HG2      VAL  15 -10.925  -0.320  -0.682
   85    H    CYS  16           H        CYS  16 -13.696   1.064   0.890
   86    HA   CYS  16           HA       CYS  16 -14.585  -1.493   1.937
   87   1HB   CYS  16          2HB       CYS  16 -16.689  -0.888   0.863
   88   2HB   CYS  16          1HB       CYS  16 -16.109   0.448   1.800
   89    H    ASN  17           H        ASN  17 -13.285  -3.075   0.958
   90    HA   ASN  17           HA       ASN  17 -12.983  -3.088  -1.969
   91   1HB   ASN  17          2HB       ASN  17 -11.116  -3.743  -0.666
   92   2HB   ASN  17          1HB       ASN  17 -12.029  -4.810   0.349
   93   1HD2  ASN  17          1HD2      ASN  17 -11.953  -6.976  -0.296
   94   2HD2  ASN  17          2HD2      ASN  17 -11.489  -7.522  -1.830
   95    H    ASP  18           H        ASP  18 -14.845  -3.179  -2.625
   96    HA   ASP  18           HA       ASP  18 -17.155  -4.471  -1.790
   97   1HB   ASP  18          2HB       ASP  18 -16.959  -2.619  -3.511
   98   2HB   ASP  18          1HB       ASP  18 -16.481  -3.830  -4.675
   99    H    LEU  19           H        LEU  19 -16.541  -6.568  -1.183
  100    HA   LEU  19           HA       LEU  19 -15.691  -8.599  -2.972
  101   1HB   LEU  19          2HB       LEU  19 -15.689  -8.396  -0.335
  102   2HB   LEU  19          1HB       LEU  19 -17.353  -8.893  -0.460
  103    HG   LEU  19           HG       LEU  19 -16.682 -11.005  -1.591
  104   1HD1  LEU  19          1HD1      LEU  19 -14.512 -10.127  -2.511
  105   2HD1  LEU  19          2HD1      LEU  19 -14.257 -11.566  -1.544
  106   3HD1  LEU  19          3HD1      LEU  19 -13.906  -9.975  -0.873
  107   1HD2  LEU  19          1HD2      LEU  19 -15.405 -10.416   1.106
  108   2HD2  LEU  19          2HD2      LEU  19 -15.826 -12.015   0.505
  109   3HD2  LEU  19          3HD2      LEU  19 -17.080 -10.838   0.821
  110    H    LYS  20           H        LYS  20 -17.216 -10.572  -3.355
  111    HA   LYS  20           HA       LYS  20 -19.554  -9.604  -4.767
  112   1HB   LYS  20          2HB       LYS  20 -19.898 -11.999  -5.315
  113   2HB   LYS  20          1HB       LYS  20 -18.223 -11.548  -5.553
  114   1HG   LYS  20          2HG       LYS  20 -17.633 -12.559  -3.341
  115   2HG   LYS  20          1HG       LYS  20 -19.308 -13.046  -3.132
  116   1HD   LYS  20          2HD       LYS  20 -19.203 -14.405  -5.200
  117   2HD   LYS  20          1HD       LYS  20 -17.522 -13.950  -5.414
  118   1HE   LYS  20          2HE       LYS  20 -17.702 -16.169  -4.323
  119   2HE   LYS  20          1HE       LYS  20 -16.954 -15.014  -3.231
  120   1HZ   LYS  20          1HZ       LYS  20 -18.848 -14.858  -1.958
  121   2HZ   LYS  20          2HZ       LYS  20 -18.817 -16.507  -2.368
  122   3HZ   LYS  20          3HZ       LYS  20 -19.865 -15.447  -3.184
  123    H    ILE  21           H        ILE  21 -18.980 -11.496  -1.828
  124    HA   ILE  21           HA       ILE  21 -21.518 -10.617  -0.644
  125    HB   ILE  21           HB       ILE  21 -20.591 -13.511  -0.937
  126   1HG1  ILE  21          2HG1      ILE  21 -23.083 -12.138  -2.058
  127   2HG1  ILE  21          1HG1      ILE  21 -21.696 -12.647  -2.999
  128   1HG2  ILE  21          1HG2      ILE  21 -21.566 -13.069   1.286
  129   2HG2  ILE  21          2HG2      ILE  21 -22.660 -14.072   0.358
  130   3HG2  ILE  21          3HG2      ILE  21 -22.987 -12.350   0.537
  131   1HD1  ILE  21          1HD1      ILE  21 -23.522 -14.542  -1.475
  132   2HD1  ILE  21          2HD1      ILE  21 -22.109 -15.007  -2.408
  133   3HD1  ILE  21          3HD1      ILE  21 -23.497 -14.289  -3.207
  134    H    GLY  22           H        GLY  22 -20.871  -9.752   1.261
  135   1HA   GLY  22          2HA       GLY  22 -20.009  -9.749   3.428
  136   2HA   GLY  22          1HA       GLY  22 -19.067 -11.159   3.005
  137    H    TYR  23           H        TYR  23 -19.355  -7.953   1.776
  138    HA   TYR  23           HA       TYR  23 -17.022  -7.173   0.708
  139   1HB   TYR  23          2HB       TYR  23 -18.401  -5.404   2.699
  140   2HB   TYR  23          1HB       TYR  23 -17.475  -4.925   1.299
  141    HD1  TYR  23           1HD      TYR  23 -18.288  -5.920  -1.016
  142    HD2  TYR  23           2HD      TYR  23 -20.745  -5.621   2.420
  143    HE1  TYR  23           1HE      TYR  23 -20.277  -6.054  -2.446
  144    HE2  TYR  23           2HE      TYR  23 -22.750  -5.758   0.998
  145    HH   TYR  23           HH       TYR  23 -23.511  -6.235  -1.079
  146    H    GLU  24           H        GLU  24 -15.179  -6.033   1.256
  147    HA   GLU  24           HA       GLU  24 -14.036  -6.727   3.896
  148   1HB   GLU  24          2HB       GLU  24 -12.785  -6.277   1.228
  149   2HB   GLU  24          1HB       GLU  24 -11.900  -6.663   2.670
  150   1HG   GLU  24          2HG       GLU  24 -13.992  -8.335   1.259
  151   2HG   GLU  24          1HG       GLU  24 -12.258  -8.607   1.219
  152    H    CYS  25           H        CYS  25 -12.377  -5.542   4.651
  153    HA   CYS  25           HA       CYS  25 -12.367  -2.673   4.225
  154   1HB   CYS  25          2HB       CYS  25 -13.579  -3.050   6.359
  155   2HB   CYS  25          1HB       CYS  25 -12.355  -4.189   6.886
  156    H    LEU  26           H        LEU  26 -10.575  -3.398   2.833
  157    HA   LEU  26           HA       LEU  26  -8.264  -4.668   4.026
  158   1HB   LEU  26          2HB       LEU  26  -8.365  -3.070   1.454
  159   2HB   LEU  26          1HB       LEU  26  -7.256  -4.325   1.888
  160    HG   LEU  26           HG       LEU  26 -10.209  -4.777   1.395
  161   1HD1  LEU  26          1HD1      LEU  26  -7.785  -5.600  -0.256
  162   2HD1  LEU  26          2HD1      LEU  26  -8.973  -4.386  -0.701
  163   3HD1  LEU  26          3HD1      LEU  26  -9.434  -6.075  -0.586
  164   1HD2  LEU  26          1HD2      LEU  26  -9.390  -6.354   3.100
  165   2HD2  LEU  26          2HD2      LEU  26  -8.065  -6.828   2.045
  166   3HD2  LEU  26          3HD2      LEU  26  -9.726  -7.184   1.593
  167    H    CYS  27           H        CYS  27  -6.190  -3.308   3.151
  168    HA   CYS  27           HA       CYS  27  -5.991  -1.072   5.022
  169   1HB   CYS  27          2HB       CYS  27  -3.971  -2.611   3.425
  170   2HB   CYS  27          1HB       CYS  27  -3.573  -1.338   4.550
  171    HA   PRO  28           HA       PRO  28  -6.649   2.081   1.867
  172   1HB   PRO  28          2HB       PRO  28  -4.748   3.487   3.737
  173   2HB   PRO  28          1HB       PRO  28  -6.213   4.084   3.006
  174   1HG   PRO  28          2HG       PRO  28  -6.291   3.325   5.500
  175   2HG   PRO  28          1HG       PRO  28  -7.606   2.824   4.416
  176   1HD   PRO  28          2HD       PRO  28  -5.296   1.231   5.444
  177   2HD   PRO  28          1HD       PRO  28  -6.986   0.749   5.176
  178    H    ASP  29           H        ASP  29  -3.452   1.849   3.291
  179    HA   ASP  29           HA       ASP  29  -2.061   2.683   0.884
  180   1HB   ASP  29          2HB       ASP  29  -0.061   2.395   2.273
  181   2HB   ASP  29          1HB       ASP  29  -1.275   3.271   3.163
  182    H    GLY  30           H        GLY  30   0.025   1.300   0.540
  183   1HA   GLY  30          2HA       GLY  30  -0.625  -0.889  -1.028
  184   2HA   GLY  30          1HA       GLY  30   0.988  -0.513  -0.481
  185    H    PHE  31           H        PHE  31  -0.193  -1.008   2.420
  186    HA   PHE  31           HA       PHE  31   0.860  -3.622   2.667
  187   1HB   PHE  31          2HB       PHE  31  -0.870  -1.940   4.459
  188   2HB   PHE  31          1HB       PHE  31  -0.273  -3.490   4.976
  189    HD1  PHE  31           1HD      PHE  31   0.809  -2.150   6.806
  190    HD2  PHE  31           2HD      PHE  31   2.004  -1.736   2.735
  191    HE1  PHE  31           1HE      PHE  31   2.908  -1.053   7.503
  192    HE2  PHE  31           2HE      PHE  31   4.048  -0.649   3.424
  193    HZ   PHE  31           HZ       PHE  31   4.530  -0.314   5.780
  194    H    GLN  32           H        GLN  32  -0.140  -5.326   3.818
  195    HA   GLN  32           HA       GLN  32  -2.684  -6.154   2.425
  196   1HB   GLN  32          2HB       GLN  32  -0.461  -7.349   2.038
  197   2HB   GLN  32          1HB       GLN  32  -0.518  -7.819   3.722
  198   1HG   GLN  32          2HG       GLN  32  -2.608  -8.617   1.681
  199   2HG   GLN  32          1HG       GLN  32  -1.234  -9.617   2.106
  200   1HE2  GLN  32          1HE2      GLN  32  -4.446  -9.200   2.746
  201   2HE2  GLN  32          2HE2      GLN  32  -4.510  -9.894   4.292
  202    H    LEU  33           H        LEU  33  -4.248  -7.220   3.789
  203    HA   LEU  33           HA       LEU  33  -4.352  -6.039   6.490
  204   1HB   LEU  33          2HB       LEU  33  -6.313  -6.133   4.829
  205   2HB   LEU  33          1HB       LEU  33  -6.415  -7.846   5.176
  206    HG   LEU  33           HG       LEU  33  -6.728  -7.272   7.635
  207   1HD1  LEU  33          1HD1      LEU  33  -6.955  -4.419   6.548
  208   2HD1  LEU  33          2HD1      LEU  33  -5.668  -4.983   7.596
  209   3HD1  LEU  33          3HD1      LEU  33  -7.309  -4.926   8.180
  210   1HD2  LEU  33          1HD2      LEU  33  -8.683  -7.735   6.203
  211   2HD2  LEU  33          2HD2      LEU  33  -8.747  -6.042   5.732
  212   3HD2  LEU  33          3HD2      LEU  33  -9.065  -6.506   7.389
  213    H    VAL  34           H        VAL  34  -4.517  -7.188   8.477
  214    HA   VAL  34           HA       VAL  34  -3.960 -10.128   8.316
  215    HB   VAL  34           HB       VAL  34  -2.452  -8.155  10.101
  216   1HG1  VAL  34          1HG1      VAL  34  -2.033 -11.142   9.656
  217   2HG1  VAL  34          2HG1      VAL  34  -2.666 -10.430  11.129
  218   3HG1  VAL  34          3HG1      VAL  34  -1.016 -10.105  10.641
  219   1HG2  VAL  34          1HG2      VAL  34  -0.517  -8.665   8.680
  220   2HG2  VAL  34          2HG2      VAL  34  -1.788  -7.919   7.732
  221   3HG2  VAL  34          3HG2      VAL  34  -1.525  -9.652   7.630
  222    H    ALA  35           H        ALA  35  -3.804  -8.427  11.325
  223    HA   ALA  35           HA       ALA  35  -5.801 -10.070  12.492
  224   1HB   ALA  35          1HB       ALA  35  -3.737  -9.554  13.696
  225   2HB   ALA  35          2HB       ALA  35  -5.097  -8.911  14.600
  226   3HB   ALA  35          3HB       ALA  35  -4.092  -7.837  13.645
  227    H    GLN  36           H        GLN  36  -7.300  -9.132  10.972
  228    HA   GLN  36           HA       GLN  36  -9.399  -8.201  10.642
  229   1HB   GLN  36          2HB       GLN  36  -9.003  -6.721  13.301
  230   2HB   GLN  36          1HB       GLN  36 -10.493  -6.884  12.416
  231   1HG   GLN  36          2HG       GLN  36  -8.943  -9.237  13.592
  232   2HG   GLN  36          1HG       GLN  36 -10.388  -8.525  14.285
  233   1HE2  GLN  36          1HE2      GLN  36 -12.424  -8.730  13.022
  234   2HE2  GLN  36          2HE2      GLN  36 -12.593  -9.993  11.900
  235    H    ARG  37           H        ARG  37  -7.350  -5.710  12.135
  236    HA   ARG  37           HA       ARG  37  -7.818  -3.955   9.754
  237   1HB   ARG  37          2HB       ARG  37  -7.654  -3.029  12.607
  238   2HB   ARG  37          1HB       ARG  37  -7.984  -2.062  11.175
  239   1HG   ARG  37          2HG       ARG  37  -9.820  -4.254  12.225
  240   2HG   ARG  37          1HG       ARG  37 -10.041  -2.547  12.508
  241   1HD   ARG  37          2HD       ARG  37 -10.305  -2.156  10.060
  242   2HD   ARG  37          1HD       ARG  37 -10.043  -3.863   9.747
  243    HE   ARG  37           HE       ARG  37 -12.233  -4.286  10.412
  244   1HH1  ARG  37          2HH1      ARG  37 -11.218  -1.189  11.597
  245   2HH1  ARG  37          1HH1      ARG  37 -12.788  -0.779  12.197
  246   1HH2  ARG  37          1HH2      ARG  37 -14.227  -3.784  11.162
  247   2HH2  ARG  37          2HH2      ARG  37 -14.518  -2.268  11.947
  248    H    ARG  38           H        ARG  38  -5.609  -5.670  11.427
  249    HA   ARG  38           HA       ARG  38  -3.441  -3.712  11.608
  250   1HB   ARG  38          2HB       ARG  38  -3.595  -5.615  13.172
  251   2HB   ARG  38          1HB       ARG  38  -3.409  -6.738  11.837
  252   1HG   ARG  38          2HG       ARG  38  -1.150  -5.810  11.352
  253   2HG   ARG  38          1HG       ARG  38  -1.342  -4.656  12.663
  254   1HD   ARG  38          2HD       ARG  38  -1.525  -6.536  14.280
  255   2HD   ARG  38          1HD       ARG  38  -1.328  -7.694  12.962
  256    HE   ARG  38           HE       ARG  38   0.869  -6.067  12.678
  257   1HH1  ARG  38          2HH1      ARG  38  -0.509  -7.820  15.334
  258   2HH1  ARG  38          1HH1      ARG  38   1.018  -8.068  16.109
  259   1HH2  ARG  38          1HH2      ARG  38   2.811  -6.375  13.638
  260   2HH2  ARG  38          2HH2      ARG  38   2.929  -7.239  15.134
  261    H    CYS  39           H        CYS  39  -2.430  -2.993   9.915
  262    HA   CYS  39           HA       CYS  39  -2.282  -4.569   7.425
  263   1HB   CYS  39          2HB       CYS  39  -1.657  -1.683   8.042
  264   2HB   CYS  39          1HB       CYS  39  -1.641  -2.398   6.444
  265    H    GLU  40           H        GLU  40  -0.492  -5.473   6.636
  266    HA   GLU  40           HA       GLU  40   2.071  -5.096   8.043
  267   1HB   GLU  40          2HB       GLU  40   2.620  -7.271   7.158
  268   2HB   GLU  40          1HB       GLU  40   1.129  -7.360   8.068
  269   1HG   GLU  40          2HG       GLU  40  -0.130  -7.160   5.877
  270   2HG   GLU  40          1HG       GLU  40   1.389  -7.108   5.027
  271    H    ASP  41           H        ASP  41   3.874  -4.817   7.020
  272    HA   ASP  41           HA       ASP  41   3.841  -3.597   4.350
  273   1HB   ASP  41          2HB       ASP  41   5.106  -2.508   6.291
  274   2HB   ASP  41          1HB       ASP  41   6.101  -3.931   6.368
  275    H    ILE  42           H        ILE  42   5.628  -4.047   2.962
  276    HA   ILE  42           HA       ILE  42   6.321  -6.861   2.735
  277    HB   ILE  42           HB       ILE  42   4.771  -6.188   0.917
  278   1HG1  ILE  42          2HG1      ILE  42   7.636  -6.241  -0.111
  279   2HG1  ILE  42          1HG1      ILE  42   6.647  -7.642   0.251
  280   1HG2  ILE  42          1HG2      ILE  42   6.592  -3.799   0.381
  281   2HG2  ILE  42          2HG2      ILE  42   4.998  -3.735   1.104
  282   3HG2  ILE  42          3HG2      ILE  42   5.187  -4.231  -0.560
  283   1HD1  ILE  42          1HD1      ILE  42   6.049  -5.582  -1.921
  284   2HD1  ILE  42          2HD1      ILE  42   5.050  -6.977  -1.543
  285   3HD1  ILE  42          3HD1      ILE  42   6.674  -7.199  -2.173
  286    H    ASP  43           H        ASP  43   8.536  -7.082   3.017
  287    HA   ASP  43           HA       ASP  43  10.145  -4.566   3.085
  288   1HB   ASP  43          2HB       ASP  43  10.058  -6.151   5.056
  289   2HB   ASP  43          1HB       ASP  43  10.905  -7.335   4.080
  290    H    GLU  44           H        GLU  44  11.229  -4.047   1.419
  291    HA   GLU  44           HA       GLU  44  11.902  -5.879  -0.735
  292   1HB   GLU  44          2HB       GLU  44  12.728  -2.978  -0.488
  293   2HB   GLU  44          1HB       GLU  44  12.525  -3.944  -1.934
  294   1HG   GLU  44          2HG       GLU  44  10.772  -2.433  -1.822
  295   2HG   GLU  44          1HG       GLU  44  10.075  -4.018  -1.586
  296    H    CYS  45           H        CYS  45  13.499  -4.340   1.973
  297    HA   CYS  45           HA       CYS  45  16.142  -4.360   1.107
  298   1HB   CYS  45          2HB       CYS  45  15.064  -4.794   3.905
  299   2HB   CYS  45          1HB       CYS  45  16.701  -4.541   3.515
  300    H    GLN  46           H        GLN  46  14.583  -6.579   3.191
  301    HA   GLN  46           HA       GLN  46  16.336  -8.596   3.651
  302   1HB   GLN  46          2HB       GLN  46  13.389  -8.845   2.965
  303   2HB   GLN  46          1HB       GLN  46  14.324 -10.114   3.708
  304   1HG   GLN  46          2HG       GLN  46  13.952  -7.327   4.878
  305   2HG   GLN  46          1HG       GLN  46  13.050  -8.739   5.405
  306   1HE2  GLN  46          1HE2      GLN  46  14.418 -10.554   6.347
  307   2HE2  GLN  46          2HE2      GLN  46  15.852 -10.142   7.156
  308    H    ASP  47           H        ASP  47  14.480  -8.282   0.695
  309    HA   ASP  47           HA       ASP  47  15.512 -10.686  -0.437
  310   1HB   ASP  47          2HB       ASP  47  13.275  -9.835  -1.075
  311   2HB   ASP  47          1HB       ASP  47  14.005  -8.384  -1.743
  312    HA   PRO  48           HA       PRO  48  19.242  -8.562  -1.812
  313   1HB   PRO  48          2HB       PRO  48  20.478 -10.621  -3.049
  314   2HB   PRO  48          1HB       PRO  48  20.271 -10.597  -1.315
  315   1HG   PRO  48          2HG       PRO  48  18.626 -12.035  -3.357
  316   2HG   PRO  48          1HG       PRO  48  19.246 -12.620  -1.803
  317   1HD   PRO  48          2HD       PRO  48  16.690 -11.736  -2.174
  318   2HD   PRO  48          1HD       PRO  48  17.541 -11.669  -0.619
  319    H    ASP  49           H        ASP  49  17.800  -7.259  -3.141
  320    HA   ASP  49           HA       ASP  49  18.456  -7.526  -6.005
  321   1HB   ASP  49          2HB       ASP  49  16.226  -8.569  -5.763
  322   2HB   ASP  49          1HB       ASP  49  15.664  -7.164  -4.867
  323    H    THR  50           H        THR  50  16.977  -5.687  -3.415
  324    HA   THR  50           HA       THR  50  17.126  -3.122  -4.657
  325    HB   THR  50           HB       THR  50  16.625  -2.358  -2.251
  326    HG1  THR  50           1HG      THR  50  16.204  -4.298  -0.917
  327   1HG2  THR  50          1HG2      THR  50  14.746  -3.163  -3.782
  328   2HG2  THR  50          2HG2      THR  50  14.482  -3.519  -2.082
  329   3HG2  THR  50          3HG2      THR  50  15.007  -4.793  -3.176
  330    H    CYS  51           H        CYS  51  18.692  -3.366  -1.524
  331    HA   CYS  51           HA       CYS  51  20.945  -1.790  -2.495
  332   1HB   CYS  51          2HB       CYS  51  20.627  -3.117   0.192
  333   2HB   CYS  51          1HB       CYS  51  21.457  -1.632  -0.192
  334    H    SER  52           H        SER  52  23.242  -2.611  -2.442
  335    HA   SER  52           HA       SER  52  23.421  -5.370  -3.273
  336   1HB   SER  52          2HB       SER  52  25.027  -3.611  -4.090
  337   2HB   SER  52          1HB       SER  52  25.651  -3.449  -2.436
  338    HG   SER  52           HG       SER  52  25.504  -5.902  -3.839
  339    H    GLN  53           H        GLN  53  23.610  -3.700  -0.286
  340    HA   GLN  53           HA       GLN  53  24.112  -6.238   1.168
  341   1HB   GLN  53          2HB       GLN  53  25.558  -3.614   1.547
  342   2HB   GLN  53          1HB       GLN  53  25.635  -4.889   2.727
  343   1HG   GLN  53          2HG       GLN  53  26.524  -5.008  -0.169
  344   2HG   GLN  53          1HG       GLN  53  27.583  -4.884   1.236
  345   1HE2  GLN  53          1HE2      GLN  53  26.942  -7.078  -0.967
  346   2HE2  GLN  53          2HE2      GLN  53  26.877  -8.501  -0.044
  347    H    LEU  54           H        LEU  54  24.321  -3.393   2.999
  348    HA   LEU  54           HA       LEU  54  22.109  -4.056   4.644
  349   1HB   LEU  54          2HB       LEU  54  24.236  -3.224   5.413
  350   2HB   LEU  54          1HB       LEU  54  24.117  -1.805   4.404
  351    HG   LEU  54           HG       LEU  54  22.066  -2.261   6.613
  352   1HD1  LEU  54          1HD1      LEU  54  24.432  -2.338   7.552
  353   2HD1  LEU  54          2HD1      LEU  54  23.580  -0.874   8.028
  354   3HD1  LEU  54          3HD1      LEU  54  24.779  -0.819   6.740
  355   1HD2  LEU  54          1HD2      LEU  54  23.386   0.123   5.277
  356   2HD2  LEU  54          2HD2      LEU  54  22.035   0.230   6.408
  357   3HD2  LEU  54          3HD2      LEU  54  21.797  -0.421   4.804
  358    H    CYS  55           H        CYS  55  20.455  -2.593   5.200
  359    HA   CYS  55           HA       CYS  55  19.564  -0.546   3.307
  360   1HB   CYS  55          2HB       CYS  55  19.025  -2.700   2.150
  361   2HB   CYS  55          1HB       CYS  55  18.151  -3.221   3.513
  362    H    VAL  56           H        VAL  56  17.231   0.085   3.887
  363    HA   VAL  56           HA       VAL  56  16.626  -0.199   6.789
  364    HB   VAL  56           HB       VAL  56  16.838   2.483   5.306
  365   1HG1  VAL  56          1HG1      VAL  56  16.202   1.886   8.231
  366   2HG1  VAL  56          2HG1      VAL  56  15.046   2.463   7.042
  367   3HG1  VAL  56          3HG1      VAL  56  16.380   3.489   7.534
  368   1HG2  VAL  56          1HG2      VAL  56  18.606   1.354   7.520
  369   2HG2  VAL  56          2HG2      VAL  56  18.732   2.966   6.834
  370   3HG2  VAL  56          3HG2      VAL  56  19.086   1.566   5.844
  371    H    ASN  57           H        ASN  57  14.755  -1.265   6.483
  372    HA   ASN  57           HA       ASN  57  12.849  -0.499   4.387
  373   1HB   ASN  57          2HB       ASN  57  13.294  -2.892   4.986
  374   2HB   ASN  57          1HB       ASN  57  12.634  -2.573   6.581
  375   1HD2  ASN  57          1HD2      ASN  57  10.781  -3.844   6.515
  376   2HD2  ASN  57          2HD2      ASN  57   9.528  -3.633   5.394
  377    H    LEU  58           H        LEU  58  10.622  -0.207   4.859
  378    HA   LEU  58           HA       LEU  58   9.486   0.640   7.371
  379   1HB   LEU  58          2HB       LEU  58   9.423   3.032   7.113
  380   2HB   LEU  58          1HB       LEU  58  11.086   2.579   6.933
  381    HG   LEU  58           HG       LEU  58  10.269   2.583   4.292
  382   1HD1  LEU  58          1HD1      LEU  58   9.001   4.708   3.926
  383   2HD1  LEU  58          2HD1      LEU  58   8.793   4.884   5.642
  384   3HD1  LEU  58          3HD1      LEU  58   7.990   3.605   4.780
  385   1HD2  LEU  58          1HD2      LEU  58  12.262   3.624   5.184
  386   2HD2  LEU  58          2HD2      LEU  58  11.282   4.917   5.893
  387   3HD2  LEU  58          3HD2      LEU  58  11.386   4.749   4.143
  388    H    GLU  59           H        GLU  59   7.678   2.458   6.303
  389    HA   GLU  59           HA       GLU  59   5.959   0.596   4.881
  390   1HB   GLU  59          2HB       GLU  59   4.974   2.251   6.559
  391   2HB   GLU  59          1HB       GLU  59   5.518   3.576   5.549
  392   1HG   GLU  59          2HG       GLU  59   3.930   2.885   3.738
  393   2HG   GLU  59          1HG       GLU  59   3.467   1.475   4.640
  394    H    GLY  60           H        GLY  60   6.970   0.050   3.262
  395   1HA   GLY  60          2HA       GLY  60   7.385  -0.123   1.040
  396   2HA   GLY  60          1HA       GLY  60   6.183   1.133   0.856
  397    H    GLY  61           H        GLY  61   8.122   2.765   2.679
  398   1HA   GLY  61          2HA       GLY  61   9.566   4.017   0.430
  399   2HA   GLY  61          1HA       GLY  61   9.402   4.697   2.023
  400    H    TYR  62           H        TYR  62  10.535   1.514   1.812
  401    HA   TYR  62           HA       TYR  62  12.836   1.701   3.267
  402   1HB   TYR  62          2HB       TYR  62  13.659  -0.346   2.240
  403   2HB   TYR  62          1HB       TYR  62  11.907  -0.432   2.257
  404    HD1  TYR  62           1HD      TYR  62  14.787  -0.710   0.249
  405    HD2  TYR  62           2HD      TYR  62  10.713   0.499   0.032
  406    HE1  TYR  62           1HE      TYR  62  14.847  -0.963  -2.175
  407    HE2  TYR  62           2HE      TYR  62  10.772   0.246  -2.399
  408    HH   TYR  62           HH       TYR  62  13.638  -1.012  -4.054
  409    H    LYS  63           H        LYS  63  14.878   2.524   3.128
  410    HA   LYS  63           HA       LYS  63  15.853   3.538   0.520
  411   1HB   LYS  63          2HB       LYS  63  16.471   4.532   3.297
  412   2HB   LYS  63          1HB       LYS  63  16.969   5.219   1.791
  413   1HG   LYS  63          2HG       LYS  63  14.616   5.734   1.164
  414   2HG   LYS  63          1HG       LYS  63  14.072   5.036   2.683
  415   1HD   LYS  63          2HD       LYS  63  15.361   6.732   3.952
  416   2HD   LYS  63          1HD       LYS  63  15.906   7.450   2.445
  417   1HE   LYS  63          2HE       LYS  63  13.542   7.929   1.817
  418   2HE   LYS  63          1HE       LYS  63  12.996   7.208   3.326
  419   1HZ   LYS  63          1HZ       LYS  63  14.338   9.747   2.855
  420   2HZ   LYS  63          2HZ       LYS  63  14.706   8.929   4.296
  421   3HZ   LYS  63          3HZ       LYS  63  13.099   9.352   3.949
  422    H    CYS  64           H        CYS  64  18.134   3.438   0.311
  423    HA   CYS  64           HA       CYS  64  19.377   1.161   1.739
  424   1HB   CYS  64          2HB       CYS  64  20.008   2.392  -0.915
  425   2HB   CYS  64          1HB       CYS  64  20.899   1.121  -0.181
  426    H    GLN  65           H        GLN  65  21.531   1.148   2.049
  427    HA   GLN  65           HA       GLN  65  23.134   3.627   2.188
  428   1HB   GLN  65          2HB       GLN  65  22.816   1.841   4.630
  429   2HB   GLN  65          1HB       GLN  65  23.707   3.315   4.543
  430   1HG   GLN  65          2HG       GLN  65  20.673   3.167   4.363
  431   2HG   GLN  65          1HG       GLN  65  21.589   3.677   5.766
  432   1HE2  GLN  65          1HE2      GLN  65  23.600   5.221   4.151
  433   2HE2  GLN  65          2HE2      GLN  65  22.774   6.606   3.623
  434    H    CYS  66           H        CYS  66  25.264   2.508   3.478
  435    HA   CYS  66           HA       CYS  66  25.922   0.112   1.809
  436   1HB   CYS  66          2HB       CYS  66  27.814   2.218   2.859
  437   2HB   CYS  66          1HB       CYS  66  28.082   0.997   1.732
  438    H    GLU  67           H        GLU  67  27.425  -1.278   2.490
  439    HA   GLU  67           HA       GLU  67  27.174  -2.054   5.326
  440   1HB   GLU  67          2HB       GLU  67  26.990  -3.605   3.265
  441   2HB   GLU  67          1HB       GLU  67  28.706  -3.468   3.091
  442   1HG   GLU  67          2HG       GLU  67  27.286  -4.600   5.540
  443   2HG   GLU  67          1HG       GLU  67  28.128  -5.536   4.327
  444    H    GLU  68           H        GLU  68  28.371  -0.102   5.927
  445    HA   GLU  68           HA       GLU  68  30.271   1.068   6.606
  446   1HB   GLU  68          2HB       GLU  68  31.339  -1.788   6.743
  447   2HB   GLU  68          1HB       GLU  68  32.080  -0.407   7.525
  448   1HG   GLU  68          2HG       GLU  68  29.979  -0.038   8.836
  449   2HG   GLU  68          1HG       GLU  68  29.236  -1.413   8.034
  450    H    GLY  69           H        GLY  69  32.117  -1.456   5.024
  451   1HA   GLY  69          2HA       GLY  69  34.057   0.202   3.882
  452   2HA   GLY  69          1HA       GLY  69  33.772  -1.468   3.424
  453    H    PHE  70           H        PHE  70  30.928  -0.754   2.688
  454    HA   PHE  70           HA       PHE  70  31.467  -0.158  -0.030
  455   1HB   PHE  70          2HB       PHE  70  28.973  -0.651   1.571
  456   2HB   PHE  70          1HB       PHE  70  28.855  -0.209  -0.125
  457    HD1  PHE  70           1HD      PHE  70  31.440  -2.500   1.360
  458    HD2  PHE  70           2HD      PHE  70  27.850  -2.199  -0.909
  459    HE1  PHE  70           1HE      PHE  70  31.616  -4.861   0.783
  460    HE2  PHE  70           2HE      PHE  70  28.044  -4.561  -1.502
  461    HZ   PHE  70           HZ       PHE  70  29.921  -5.906  -0.662
  462    H    GLN  71           H        GLN  71  30.423   1.591  -1.234
  463    HA   GLN  71           HA       GLN  71  29.816   3.991   0.309
  464   1HB   GLN  71          2HB       GLN  71  31.900   3.529  -1.781
  465   2HB   GLN  71          1HB       GLN  71  31.145   5.079  -1.753
  466   1HG   GLN  71          2HG       GLN  71  32.513   3.765   0.655
  467   2HG   GLN  71          1HG       GLN  71  33.222   5.046  -0.327
  468   1HE2  GLN  71          1HE2      GLN  71  32.752   5.479   2.429
  469   2HE2  GLN  71          2HE2      GLN  71  31.508   6.619   2.615
  470    H    LEU  72           H        LEU  72  29.161   5.706  -1.015
  471    HA   LEU  72           HA       LEU  72  26.783   4.834  -2.505
  472   1HB   LEU  72          2HB       LEU  72  26.715   6.754  -0.921
  473   2HB   LEU  72          1HB       LEU  72  27.796   7.650  -1.969
  474    HG   LEU  72           HG       LEU  72  26.085   7.326  -3.845
  475   1HD1  LEU  72          1HD1      LEU  72  23.771   6.741  -3.209
  476   2HD1  LEU  72          2HD1      LEU  72  24.303   6.362  -1.582
  477   3HD1  LEU  72          3HD1      LEU  72  24.853   5.391  -2.936
  478   1HD2  LEU  72          1HD2      LEU  72  26.224   9.450  -2.558
  479   2HD2  LEU  72          2HD2      LEU  72  25.130   8.795  -1.346
  480   3HD2  LEU  72          3HD2      LEU  72  24.554   9.099  -2.981
  481    H    ASP  73           H        ASP  73  27.315   4.029  -4.423
  482    HA   ASP  73           HA       ASP  73  29.305   5.164  -6.205
  483   1HB   ASP  73          2HB       ASP  73  28.612   2.751  -6.336
  484   2HB   ASP  73          1HB       ASP  73  27.022   3.249  -6.885
  485    HA   PRO  74           HA       PRO  74  26.504   8.368  -7.669
  486   1HB   PRO  74          2HB       PRO  74  28.052   9.493  -9.560
  487   2HB   PRO  74          1HB       PRO  74  28.446   9.645  -7.864
  488   1HG   PRO  74          2HG       PRO  74  29.569   7.708  -9.852
  489   2HG   PRO  74          1HG       PRO  74  30.421   8.723  -8.674
  490   1HD   PRO  74          2HD       PRO  74  29.885   6.114  -8.224
  491   2HD   PRO  74          1HD       PRO  74  29.954   7.310  -6.917
  492    H    HIS  75           H        HIS  75  25.519   9.073  -9.664
  493    HA   HIS  75           HA       HIS  75  24.259   8.739 -11.587
  494   1HB   HIS  75          2HB       HIS  75  26.426   6.704 -12.307
  495   2HB   HIS  75          1HB       HIS  75  25.268   7.425 -13.413
  496    HD1  HIS  75           1HD      HIS  75  28.263   8.336 -11.431
  497    HD2  HIS  75           2HD      HIS  75  25.847  10.076 -14.224
  498    HE1  HIS  75           1HE      HIS  75  29.393  10.417 -12.126
  499    H    THR  76           H        THR  76  24.555   6.565  -9.275
  500    HA   THR  76           HA       THR  76  22.310   4.870 -10.223
  501    HB   THR  76           HB       THR  76  23.473   2.846  -9.200
  502    HG1  THR  76           1HG      THR  76  25.625   3.178  -8.626
  503   1HG2  THR  76          1HG2      THR  76  23.897   3.352 -11.719
  504   2HG2  THR  76          2HG2      THR  76  25.249   2.548 -10.938
  505   3HG2  THR  76          3HG2      THR  76  25.307   4.277 -11.230
  506    H    LYS  77           H        LYS  77  24.336   5.952  -7.709
  507    HA   LYS  77           HA       LYS  77  24.021   6.533  -5.467
  508   1HB   LYS  77          2HB       LYS  77  21.186   6.280  -6.161
  509   2HB   LYS  77          1HB       LYS  77  21.766   6.992  -4.679
  510   1HG   LYS  77          2HG       LYS  77  23.037   8.696  -6.054
  511   2HG   LYS  77          1HG       LYS  77  22.362   8.000  -7.512
  512   1HD   LYS  77          2HD       LYS  77  21.101  10.003  -6.897
  513   2HD   LYS  77          1HD       LYS  77  20.070   8.595  -6.758
  514   1HE   LYS  77          2HE       LYS  77  20.433   8.573  -4.279
  515   2HE   LYS  77          1HE       LYS  77  21.489   9.973  -4.429
  516   1HZ   LYS  77          1HZ       LYS  77  19.280  10.615  -3.793
  517   2HZ   LYS  77          2HZ       LYS  77  18.621   9.855  -5.161
  518   3HZ   LYS  77          3HZ       LYS  77  19.629  11.210  -5.345
  519    H    ALA  78           H        ALA  78  23.916   3.716  -6.653
  520    HA   ALA  78           HA       ALA  78  22.646   2.168  -4.463
  521   1HB   ALA  78          1HB       ALA  78  23.140   0.221  -5.928
  522   2HB   ALA  78          2HB       ALA  78  23.993   1.274  -7.048
  523   3HB   ALA  78          3HB       ALA  78  22.260   1.456  -6.816
  524    H    CYS  79           H        CYS  79  23.831   1.131  -2.957
  525    HA   CYS  79           HA       CYS  79  26.649   1.812  -2.740
  526   1HB   CYS  79          2HB       CYS  79  24.826   0.250  -0.959
  527   2HB   CYS  79          1HB       CYS  79  26.515   0.449  -0.608
  528    H    LYS  80           H        LYS  80  28.359   0.598  -2.616
  529    HA   LYS  80           HA       LYS  80  28.320  -2.306  -2.860
  530   1HB   LYS  80          2HB       LYS  80  29.674  -2.433  -4.693
  531   2HB   LYS  80          1HB       LYS  80  28.112  -1.783  -5.218
  532   1HG   LYS  80          2HG       LYS  80  29.179   0.563  -5.097
  533   2HG   LYS  80          1HG       LYS  80  30.734  -0.212  -4.845
  534   1HD   LYS  80          2HD       LYS  80  30.481  -1.405  -7.026
  535   2HD   LYS  80          1HD       LYS  80  28.969  -0.548  -7.296
  536   1HE   LYS  80          2HE       LYS  80  30.214   1.626  -7.068
  537   2HE   LYS  80          1HE       LYS  80  31.707   0.724  -6.916
  538   1HZ   LYS  80          1HZ       LYS  80  29.948   0.299  -9.229
  539   2HZ   LYS  80          2HZ       LYS  80  31.614   0.003  -9.076
  540   3HZ   LYS  80          3HZ       LYS  80  31.038   1.599  -9.191
  541    H    ALA  81           H        ALA  81  30.715  -3.081  -2.817
  542    HA   ALA  81           HA       ALA  81  32.273  -1.922  -0.803
  543   1HB   ALA  81          1HB       ALA  81  33.256  -3.524  -3.188
  544   2HB   ALA  81          2HB       ALA  81  32.649  -4.197  -1.685
  545   3HB   ALA  81          3HB       ALA  81  34.147  -3.281  -1.693
  546    H    VAL  82           H        VAL  82  33.439  -0.097  -0.621
  547    HA   VAL  82           HA       VAL  82  33.650   1.882  -2.527
  548    HB   VAL  82           HB       VAL  82  34.108   2.206  -0.116
  549   1HG1  VAL  82          1HG1      VAL  82  36.303   1.544   0.858
  550   2HG1  VAL  82          2HG1      VAL  82  36.765   0.783  -0.653
  551   3HG1  VAL  82          3HG1      VAL  82  35.452   0.120   0.292
  552   1HG2  VAL  82          1HG2      VAL  82  36.450   3.070  -1.856
  553   2HG2  VAL  82          2HG2      VAL  82  36.022   3.762  -0.302
  554   3HG2  VAL  82          3HG2      VAL  82  34.930   3.927  -1.666
  Start of MODEL   13
    1    H    GLY   1           H        GLY   1 -24.752  -6.635   3.226
    2   1HA   GLY   1          2HA       GLY   1 -27.692  -6.816   3.728
    3   2HA   GLY   1          1HA       GLY   1 -26.521  -6.980   5.038
    4    H    THR   2           H        THR   2 -26.208  -5.180   6.175
    5    HA   THR   2           HA       THR   2 -27.328  -2.694   5.576
    6    HB   THR   2           HB       THR   2 -26.889  -3.342   7.869
    7    HG1  THR   2           1HG      THR   2 -26.030  -1.401   8.499
    8   1HG2  THR   2          1HG2      THR   2 -23.944  -2.887   7.133
    9   2HG2  THR   2          2HG2      THR   2 -24.626  -4.482   7.431
   10   3HG2  THR   2          3HG2      THR   2 -24.549  -3.300   8.733
   11    H    ASN   3           H        ASN   3 -26.230  -0.683   5.541
   12    HA   ASN   3           HA       ASN   3 -23.999  -0.612   3.571
   13   1HB   ASN   3          2HB       ASN   3 -26.205   0.500   3.067
   14   2HB   ASN   3          1HB       ASN   3 -25.968   1.546   4.452
   15   1HD2  ASN   3          1HD2      ASN   3 -26.232   3.015   2.287
   16   2HD2  ASN   3          2HD2      ASN   3 -24.755   3.553   1.646
   17    H    GLU   4           H        GLU   4 -22.710  -1.265   5.459
   18    HA   GLU   4           HA       GLU   4 -22.252   0.476   7.681
   19   1HB   GLU   4          2HB       GLU   4 -20.160  -1.012   7.903
   20   2HB   GLU   4          1HB       GLU   4 -21.715  -1.794   8.007
   21   1HG   GLU   4          2HG       GLU   4 -20.027  -3.021   6.589
   22   2HG   GLU   4          1HG       GLU   4 -21.527  -2.692   5.756
   23    H    CYS   5           H        CYS   5 -21.478   0.984   4.517
   24    HA   CYS   5           HA       CYS   5 -18.862   2.024   4.653
   25   1HB   CYS   5          2HB       CYS   5 -21.148   2.669   2.804
   26   2HB   CYS   5          1HB       CYS   5 -19.528   3.204   2.556
   27    H    LEU   6           H        LEU   6 -22.032   3.262   5.066
   28    HA   LEU   6           HA       LEU   6 -21.830   5.998   5.101
   29   1HB   LEU   6          2HB       LEU   6 -23.445   4.259   6.993
   30   2HB   LEU   6          1HB       LEU   6 -23.778   5.931   6.610
   31    HG   LEU   6           HG       LEU   6 -23.812   3.635   4.587
   32   1HD1  LEU   6          1HD1      LEU   6 -26.258   4.014   4.592
   33   2HD1  LEU   6          2HD1      LEU   6 -26.070   5.237   5.841
   34   3HD1  LEU   6          3HD1      LEU   6 -25.680   3.558   6.189
   35   1HD2  LEU   6          1HD2      LEU   6 -23.207   5.852   3.535
   36   2HD2  LEU   6          2HD2      LEU   6 -24.637   6.568   4.255
   37   3HD2  LEU   6          3HD2      LEU   6 -24.797   5.321   3.033
   38    H    ASP   7           H        ASP   7 -21.286   3.801   7.787
   39    HA   ASP   7           HA       ASP   7 -20.074   5.957   9.467
   40   1HB   ASP   7          2HB       ASP   7 -21.863   4.322  10.395
   41   2HB   ASP   7          1HB       ASP   7 -20.684   3.051  10.113
   42    H    ASN   8           H        ASN   8 -18.331   4.299  10.834
   43    HA   ASN   8           HA       ASN   8 -15.969   4.386   9.407
   44   1HB   ASN   8          2HB       ASN   8 -16.798   2.541  11.518
   45   2HB   ASN   8          1HB       ASN   8 -15.117   2.814  11.120
   46   1HD2  ASN   8          1HD2      ASN   8 -14.360   5.146  11.353
   47   2HD2  ASN   8          2HD2      ASN   8 -15.058   6.103  12.571
   48    H    ASN   9           H        ASN   9 -15.441   3.309   7.586
   49    HA   ASN   9           HA       ASN   9 -16.782   1.522   6.064
   50   1HB   ASN   9          2HB       ASN   9 -14.714   2.562   5.344
   51   2HB   ASN   9          1HB       ASN   9 -13.792   1.666   6.526
   52   1HD2  ASN   9          1HD2      ASN   9 -12.617   1.212   4.354
   53   2HD2  ASN   9          2HD2      ASN   9 -13.092  -0.197   3.535
   54    H    GLY  10           H        GLY  10 -17.937   0.064   7.408
   55   1HA   GLY  10          2HA       GLY  10 -18.374  -2.010   8.369
   56   2HA   GLY  10          1HA       GLY  10 -17.023  -2.566   7.399
   57    H    GLY  11           H        GLY  11 -16.117  -0.118   9.449
   58   1HA   GLY  11          2HA       GLY  11 -15.725  -0.529  11.964
   59   2HA   GLY  11          1HA       GLY  11 -14.829  -1.948  11.417
   60    H    CYS  12           H        CYS  12 -13.752  -0.691   9.052
   61    HA   CYS  12           HA       CYS  12 -11.549   0.842  10.266
   62   1HB   CYS  12          2HB       CYS  12 -10.410   0.330   8.243
   63   2HB   CYS  12          1HB       CYS  12 -11.259  -1.131   8.681
   64    H    SER  13           H        SER  13 -11.108   2.036   7.521
   65    HA   SER  13           HA       SER  13 -13.307   3.791   6.936
   66   1HB   SER  13          2HB       SER  13 -12.146   5.925   7.741
   67   2HB   SER  13          1HB       SER  13 -12.496   4.843   9.094
   68    HG   SER  13           HG       SER  13 -10.407   4.012   8.915
   69    H    HIS  14           H        HIS  14 -11.732   2.055   5.454
   70    HA   HIS  14           HA       HIS  14 -10.154   3.823   3.669
   71   1HB   HIS  14          2HB       HIS  14 -10.170   0.814   4.125
   72   2HB   HIS  14          1HB       HIS  14  -9.126   1.638   2.991
   73    HD1  HIS  14           1HD      HIS  14  -9.121   3.817   5.662
   74    HD2  HIS  14           2HD      HIS  14  -7.418   0.144   5.183
   75    HE1  HIS  14           1HE      HIS  14  -7.319   3.664   7.347
   76    H    VAL  15           H        VAL  15 -10.801   1.039   2.131
   77    HA   VAL  15           HA       VAL  15 -13.108   2.164   0.630
   78    HB   VAL  15           HB       VAL  15 -11.007   1.802  -0.542
   79   1HG1  VAL  15          1HG1      VAL  15 -11.225  -1.149   0.123
   80   2HG1  VAL  15          2HG1      VAL  15 -10.008  -0.027   0.698
   81   3HG1  VAL  15          3HG1      VAL  15 -10.097  -0.433  -1.004
   82   1HG2  VAL  15          1HG2      VAL  15 -13.127   1.514  -1.833
   83   2HG2  VAL  15          2HG2      VAL  15 -13.182  -0.187  -1.396
   84   3HG2  VAL  15          3HG2      VAL  15 -11.912   0.408  -2.452
   85    H    CYS  16           H        CYS  16 -15.029   1.352   1.146
   86    HA   CYS  16           HA       CYS  16 -15.301  -1.195   2.526
   87   1HB   CYS  16          2HB       CYS  16 -17.588  -0.490   2.796
   88   2HB   CYS  16          1HB       CYS  16 -16.584   0.888   3.051
   89    H    ASN  17           H        ASN  17 -14.967  -2.976   1.334
   90    HA   ASN  17           HA       ASN  17 -16.116  -3.197  -1.394
   91   1HB   ASN  17          2HB       ASN  17 -13.878  -3.622  -1.280
   92   2HB   ASN  17          1HB       ASN  17 -13.891  -4.376   0.285
   93   1HD2  ASN  17          1HD2      ASN  17 -12.690  -6.090  -0.441
   94   2HD2  ASN  17          2HD2      ASN  17 -13.249  -7.312  -1.453
   95    H    ASP  18           H        ASP  18 -18.031  -2.989  -0.356
   96    HA   ASP  18           HA       ASP  18 -19.189  -4.570   1.617
   97   1HB   ASP  18          2HB       ASP  18 -19.985  -2.355   0.539
   98   2HB   ASP  18          1HB       ASP  18 -20.690  -3.343  -0.724
   99    H    LEU  19           H        LEU  19 -18.718  -6.555   1.469
  100    HA   LEU  19           HA       LEU  19 -19.248  -8.396  -0.591
  101   1HB   LEU  19          2HB       LEU  19 -17.668  -8.411   1.523
  102   2HB   LEU  19          1HB       LEU  19 -19.097  -8.867   2.389
  103    HG   LEU  19           HG       LEU  19 -19.375 -10.925   1.085
  104   1HD1  LEU  19          1HD1      LEU  19 -16.742 -10.024  -0.145
  105   2HD1  LEU  19          2HD1      LEU  19 -18.265 -10.073  -1.010
  106   3HD1  LEU  19          3HD1      LEU  19 -17.532 -11.566  -0.459
  107   1HD2  LEU  19          1HD2      LEU  19 -16.617 -10.516   2.300
  108   2HD2  LEU  19          2HD2      LEU  19 -17.421 -12.066   2.084
  109   3HD2  LEU  19          3HD2      LEU  19 -18.091 -10.876   3.177
  110    H    LYS  20           H        LYS  20 -20.706 -10.352  -0.042
  111    HA   LYS  20           HA       LYS  20 -23.438  -9.401   0.170
  112   1HB   LYS  20          2HB       LYS  20 -23.988 -11.823  -0.159
  113   2HB   LYS  20          1HB       LYS  20 -22.789 -11.290  -1.320
  114   1HG   LYS  20          2HG       LYS  20 -20.977 -12.282   0.139
  115   2HG   LYS  20          1HG       LYS  20 -22.226 -12.889   1.217
  116   1HD   LYS  20          2HD       LYS  20 -23.196 -14.250  -0.577
  117   2HD   LYS  20          1HD       LYS  20 -21.999 -13.644  -1.712
  118   1HE   LYS  20          2HE       LYS  20 -20.178 -14.592  -0.286
  119   2HE   LYS  20          1HE       LYS  20 -21.380 -15.214   0.835
  120   1HZ   LYS  20          1HZ       LYS  20 -22.330 -16.435  -1.120
  121   2HZ   LYS  20          2HZ       LYS  20 -20.813 -16.966  -0.570
  122   3HZ   LYS  20          3HZ       LYS  20 -20.923 -16.010  -1.970
  123    H    ILE  21           H        ILE  21 -21.240 -11.362   2.125
  124    HA   ILE  21           HA       ILE  21 -22.516 -10.553   4.633
  125    HB   ILE  21           HB       ILE  21 -22.067 -13.431   3.709
  126   1HG1  ILE  21          2HG1      ILE  21 -24.680 -11.993   4.390
  127   2HG1  ILE  21          1HG1      ILE  21 -24.163 -12.449   2.779
  128   1HG2  ILE  21          1HG2      ILE  21 -21.485 -13.122   6.088
  129   2HG2  ILE  21          2HG2      ILE  21 -22.951 -14.067   5.963
  130   3HG2  ILE  21          3HG2      ILE  21 -23.041 -12.359   6.384
  131   1HD1  ILE  21          1HD1      ILE  21 -24.227 -14.832   3.378
  132   2HD1  ILE  21          2HD1      ILE  21 -25.788 -14.065   3.622
  133   3HD1  ILE  21          3HD1      ILE  21 -24.770 -14.429   4.999
  134    H    GLY  22           H        GLY  22 -20.746  -9.689   5.657
  135   1HA   GLY  22          2HA       GLY  22 -18.742  -9.913   6.885
  136   2HA   GLY  22          1HA       GLY  22 -18.292 -11.215   5.819
  137    H    TYR  23           H        TYR  23 -19.308  -7.973   5.219
  138    HA   TYR  23           HA       TYR  23 -18.011  -7.061   3.046
  139   1HB   TYR  23          2HB       TYR  23 -17.950  -5.335   5.495
  140   2HB   TYR  23          1HB       TYR  23 -18.152  -4.857   3.830
  141    HD1  TYR  23           1HD      TYR  23 -20.324  -5.979   2.592
  142    HD2  TYR  23           2HD      TYR  23 -19.824  -5.486   6.777
  143    HE1  TYR  23           1HE      TYR  23 -22.752  -6.101   2.891
  144    HE2  TYR  23           2HE      TYR  23 -22.257  -5.612   7.087
  145    HH   TYR  23           HH       TYR  23 -24.393  -5.093   4.900
  146    H    GLU  24           H        GLU  24 -16.162  -5.929   2.469
  147    HA   GLU  24           HA       GLU  24 -13.749  -6.586   4.046
  148   1HB   GLU  24          2HB       GLU  24 -14.216  -6.107   1.139
  149   2HB   GLU  24          1HB       GLU  24 -12.654  -6.478   1.830
  150   1HG   GLU  24          2HG       GLU  24 -13.707  -8.578   2.731
  151   2HG   GLU  24          1HG       GLU  24 -15.193  -8.115   1.890
  152    H    CYS  25           H        CYS  25 -11.945  -5.274   3.694
  153    HA   CYS  25           HA       CYS  25 -12.308  -2.460   3.217
  154   1HB   CYS  25          2HB       CYS  25 -12.685  -2.723   5.682
  155   2HB   CYS  25          1HB       CYS  25 -11.170  -3.584   5.833
  156    H    LEU  26           H        LEU  26 -10.940  -2.772   1.387
  157    HA   LEU  26           HA       LEU  26  -8.350  -4.062   1.730
  158   1HB   LEU  26          2HB       LEU  26  -9.150  -2.312  -0.615
  159   2HB   LEU  26          1HB       LEU  26  -7.989  -3.588  -0.547
  160    HG   LEU  26           HG       LEU  26  -9.662  -4.441  -1.849
  161   1HD1  LEU  26          1HD1      LEU  26 -10.701  -6.329  -0.678
  162   2HD1  LEU  26          2HD1      LEU  26 -10.227  -5.642   0.862
  163   3HD1  LEU  26          3HD1      LEU  26  -9.000  -6.164  -0.288
  164   1HD2  LEU  26          1HD2      LEU  26 -11.781  -3.489   0.076
  165   2HD2  LEU  26          2HD2      LEU  26 -12.008  -4.461  -1.368
  166   3HD2  LEU  26          3HD2      LEU  26 -11.392  -2.830  -1.504
  167    H    CYS  27           H        CYS  27  -6.752  -2.408   0.282
  168    HA   CYS  27           HA       CYS  27  -5.991  -0.420   2.206
  169   1HB   CYS  27          2HB       CYS  27  -4.897  -1.152  -0.493
  170   2HB   CYS  27          1HB       CYS  27  -4.177   0.037   0.538
  171    HA   PRO  28           HA       PRO  28  -7.840   3.064   0.119
  172   1HB   PRO  28          2HB       PRO  28  -6.546   5.049   1.516
  173   2HB   PRO  28          1HB       PRO  28  -7.828   4.099   2.197
  174   1HG   PRO  28          2HG       PRO  28  -4.935   3.924   2.710
  175   2HG   PRO  28          1HG       PRO  28  -6.295   3.580   3.780
  176   1HD   PRO  28          2HD       PRO  28  -4.753   1.680   2.420
  177   2HD   PRO  28          1HD       PRO  28  -6.314   1.404   3.209
  178    H    ASP  29           H        ASP  29  -4.536   3.142   0.992
  179    HA   ASP  29           HA       ASP  29  -3.517   4.651  -1.270
  180   1HB   ASP  29          2HB       ASP  29  -1.327   4.234  -0.093
  181   2HB   ASP  29          1HB       ASP  29  -2.535   4.916   0.969
  182    H    GLY  30           H        GLY  30  -1.198   3.476  -1.937
  183   1HA   GLY  30          2HA       GLY  30  -2.014   1.392  -3.692
  184   2HA   GLY  30          1HA       GLY  30  -0.455   2.156  -3.670
  185    H    PHE  31           H        PHE  31  -0.281   1.312  -0.632
  186    HA   PHE  31           HA       PHE  31   1.273  -1.043  -1.094
  187   1HB   PHE  31          2HB       PHE  31   0.160   0.034   1.541
  188   2HB   PHE  31          1HB       PHE  31   1.537  -1.033   1.253
  189    HD1  PHE  31           1HD      PHE  31   3.176  -0.208  -0.639
  190    HD2  PHE  31           2HD      PHE  31   0.780   2.331   1.791
  191    HE1  PHE  31           1HE      PHE  31   4.665   1.670  -1.173
  192    HE2  PHE  31           2HE      PHE  31   2.267   4.223   1.254
  193    HZ   PHE  31           HZ       PHE  31   4.223   3.883  -0.226
  194    H    GLN  32           H        GLN  32   0.758  -2.830   0.883
  195    HA   GLN  32           HA       GLN  32  -1.758  -4.105  -0.134
  196   1HB   GLN  32          2HB       GLN  32   0.315  -5.305  -0.672
  197   2HB   GLN  32          1HB       GLN  32   0.746  -5.362   1.025
  198   1HG   GLN  32          2HG       GLN  32  -0.223  -7.524   0.282
  199   2HG   GLN  32          1HG       GLN  32  -1.250  -6.791   1.496
  200   1HE2  GLN  32          1HE2      GLN  32  -3.426  -6.720   0.933
  201   2HE2  GLN  32          2HE2      GLN  32  -4.030  -6.777  -0.653
  202    H    LEU  33           H        LEU  33  -3.150  -5.097   1.192
  203    HA   LEU  33           HA       LEU  33  -3.460  -4.005   3.863
  204   1HB   LEU  33          2HB       LEU  33  -5.333  -4.804   2.206
  205   2HB   LEU  33          1HB       LEU  33  -4.900  -6.434   2.664
  206    HG   LEU  33           HG       LEU  33  -5.350  -5.772   5.093
  207   1HD1  LEU  33          1HD1      LEU  33  -6.553  -3.311   3.750
  208   2HD1  LEU  33          2HD1      LEU  33  -5.156  -3.293   4.805
  209   3HD1  LEU  33          3HD1      LEU  33  -6.731  -3.717   5.443
  210   1HD2  LEU  33          1HD2      LEU  33  -7.024  -7.042   3.771
  211   2HD2  LEU  33          2HD2      LEU  33  -7.686  -5.539   3.148
  212   3HD2  LEU  33          3HD2      LEU  33  -7.820  -5.912   4.854
  213    H    VAL  34           H        VAL  34  -1.883  -4.661   5.271
  214    HA   VAL  34           HA       VAL  34  -0.613  -7.282   5.050
  215    HB   VAL  34           HB       VAL  34  -0.288  -5.108   7.172
  216   1HG1  VAL  34          1HG1      VAL  34   0.529  -7.339   7.950
  217   2HG1  VAL  34          2HG1      VAL  34   1.867  -6.243   7.672
  218   3HG1  VAL  34          3HG1      VAL  34   1.495  -7.491   6.493
  219   1HG2  VAL  34          1HG2      VAL  34   1.747  -4.485   5.899
  220   2HG2  VAL  34          2HG2      VAL  34   0.317  -4.302   4.906
  221   3HG2  VAL  34          3HG2      VAL  34   1.372  -5.688   4.679
  222    H    ALA  35           H        ALA  35  -1.889  -5.853   8.023
  223    HA   ALA  35           HA       ALA  35  -2.548  -8.436   9.037
  224   1HB   ALA  35          1HB       ALA  35  -1.608  -6.694  10.501
  225   2HB   ALA  35          2HB       ALA  35  -3.203  -7.125  11.098
  226   3HB   ALA  35          3HB       ALA  35  -2.982  -5.647  10.176
  227    H    GLN  36           H        GLN  36  -4.027  -7.881   6.790
  228    HA   GLN  36           HA       GLN  36  -6.167  -7.940   5.870
  229   1HB   GLN  36          2HB       GLN  36  -6.950  -8.980   8.623
  230   2HB   GLN  36          1HB       GLN  36  -7.887  -9.135   7.162
  231   1HG   GLN  36          2HG       GLN  36  -6.069 -10.488   6.083
  232   2HG   GLN  36          1HG       GLN  36  -5.090 -10.341   7.535
  233   1HE2  GLN  36          1HE2      GLN  36  -7.903 -11.934   6.138
  234   2HE2  GLN  36          2HE2      GLN  36  -8.140 -13.029   7.411
  235    H    ARG  37           H        ARG  37  -5.378  -5.607   7.842
  236    HA   ARG  37           HA       ARG  37  -7.935  -4.240   7.474
  237   1HB   ARG  37          2HB       ARG  37  -7.824  -5.647   9.805
  238   2HB   ARG  37          1HB       ARG  37  -6.837  -4.304  10.319
  239   1HG   ARG  37          2HG       ARG  37  -9.085  -3.778  10.963
  240   2HG   ARG  37          1HG       ARG  37  -8.717  -2.750   9.585
  241   1HD   ARG  37          2HD       ARG  37  -9.836  -4.480   8.056
  242   2HD   ARG  37          1HD       ARG  37 -10.203  -5.421   9.486
  243    HE   ARG  37           HE       ARG  37 -11.146  -2.678   9.734
  244   1HH1  ARG  37          2HH1      ARG  37 -11.862  -5.783   8.382
  245   2HH1  ARG  37          1HH1      ARG  37 -13.571  -5.500   8.341
  246   1HH2  ARG  37          1HH2      ARG  37 -13.297  -2.288   9.691
  247   2HH2  ARG  37          2HH2      ARG  37 -14.398  -3.484   9.095
  248    H    ARG  38           H        ARG  38  -4.773  -4.289   8.943
  249    HA   ARG  38           HA       ARG  38  -4.382  -1.380   8.569
  250   1HB   ARG  38          2HB       ARG  38  -3.561  -2.496  10.660
  251   2HB   ARG  38          1HB       ARG  38  -2.518  -3.526   9.693
  252   1HG   ARG  38          2HG       ARG  38  -1.344  -1.489   8.819
  253   2HG   ARG  38          1HG       ARG  38  -2.353  -0.484   9.840
  254   1HD   ARG  38          2HD       ARG  38  -1.461  -1.600  11.874
  255   2HD   ARG  38          1HD       ARG  38  -0.466  -2.657  10.878
  256    HE   ARG  38           HE       ARG  38   0.114   0.092  11.560
  257   1HH1  ARG  38          2HH1      ARG  38   0.459  -2.319   9.100
  258   2HH1  ARG  38          1HH1      ARG  38   1.881  -1.600   8.426
  259   1HH2  ARG  38          1HH2      ARG  38   1.921   1.022  10.731
  260   2HH2  ARG  38          2HH2      ARG  38   2.727   0.322   9.368
  261    H    CYS  39           H        CYS  39  -3.783  -0.740   6.607
  262    HA   CYS  39           HA       CYS  39  -2.334  -2.597   4.794
  263   1HB   CYS  39          2HB       CYS  39  -4.277  -1.401   3.892
  264   2HB   CYS  39          1HB       CYS  39  -3.505   0.128   4.232
  265    H    GLU  40           H        GLU  40  -0.390  -2.430   4.187
  266    HA   GLU  40           HA       GLU  40   1.155   0.019   4.265
  267   1HB   GLU  40          2HB       GLU  40   1.165  -0.776   6.668
  268   2HB   GLU  40          1HB       GLU  40   1.895  -2.284   6.140
  269   1HG   GLU  40          2HG       GLU  40   3.835  -1.049   5.243
  270   2HG   GLU  40          1HG       GLU  40   3.019   0.462   5.608
  271    H    ASP  41           H        ASP  41   3.438  -0.460   3.591
  272    HA   ASP  41           HA       ASP  41   3.404  -2.221   1.258
  273   1HB   ASP  41          2HB       ASP  41   4.492   0.168   1.431
  274   2HB   ASP  41          1HB       ASP  41   5.732  -0.624   2.334
  275    H    ILE  42           H        ILE  42   5.017  -3.812   0.832
  276    HA   ILE  42           HA       ILE  42   5.506  -5.579   2.988
  277    HB   ILE  42           HB       ILE  42   5.280  -6.348   0.598
  278   1HG1  ILE  42          2HG1      ILE  42   8.032  -7.039   1.756
  279   2HG1  ILE  42          1HG1      ILE  42   6.529  -7.788   2.254
  280   1HG2  ILE  42          1HG2      ILE  42   8.002  -5.019   0.194
  281   2HG2  ILE  42          2HG2      ILE  42   6.486  -4.442  -0.478
  282   3HG2  ILE  42          3HG2      ILE  42   7.154  -5.964  -1.013
  283   1HD1  ILE  42          1HD1      ILE  42   7.741  -9.201   0.638
  284   2HD1  ILE  42          2HD1      ILE  42   7.742  -7.913  -0.548
  285   3HD1  ILE  42          3HD1      ILE  42   6.226  -8.660  -0.067
  286    H    ASP  43           H        ASP  43   7.872  -6.246   3.641
  287    HA   ASP  43           HA       ASP  43   9.505  -3.750   3.895
  288   1HB   ASP  43          2HB       ASP  43   8.608  -4.957   5.935
  289   2HB   ASP  43          1HB       ASP  43   9.670  -6.291   5.537
  290    H    GLU  44           H        GLU  44  11.170  -3.559   2.664
  291    HA   GLU  44           HA       GLU  44  12.391  -5.783   1.235
  292   1HB   GLU  44          2HB       GLU  44  13.243  -2.882   1.308
  293   2HB   GLU  44          1HB       GLU  44  13.660  -4.078   0.106
  294   1HG   GLU  44          2HG       GLU  44  12.032  -2.597  -0.741
  295   2HG   GLU  44          1HG       GLU  44  11.286  -4.180  -0.637
  296    H    CYS  45           H        CYS  45  13.034  -3.863   4.059
  297    HA   CYS  45           HA       CYS  45  15.828  -4.202   4.156
  298   1HB   CYS  45          2HB       CYS  45  13.821  -3.620   6.350
  299   2HB   CYS  45          1HB       CYS  45  15.524  -3.597   6.568
  300    H    GLN  46           H        GLN  46  13.462  -5.500   6.280
  301    HA   GLN  46           HA       GLN  46  14.770  -7.418   7.705
  302   1HB   GLN  46          2HB       GLN  46  11.978  -7.598   6.520
  303   2HB   GLN  46          1HB       GLN  46  12.568  -8.604   7.827
  304   1HG   GLN  46          2HG       GLN  46  12.945  -6.620   9.245
  305   2HG   GLN  46          1HG       GLN  46  12.421  -5.559   7.953
  306   1HE2  GLN  46          1HE2      GLN  46  11.279  -6.508  10.763
  307   2HE2  GLN  46          2HE2      GLN  46   9.639  -6.772  10.410
  308    H    ASP  47           H        ASP  47  13.218  -7.978   4.599
  309    HA   ASP  47           HA       ASP  47  14.256 -10.621   4.342
  310   1HB   ASP  47          2HB       ASP  47  12.081 -10.053   3.331
  311   2HB   ASP  47          1HB       ASP  47  12.842  -8.831   2.326
  312    HA   PRO  48           HA       PRO  48  18.198  -9.238   2.681
  313   1HB   PRO  48          2HB       PRO  48  18.267 -11.841   1.188
  314   2HB   PRO  48          1HB       PRO  48  19.398 -11.209   2.358
  315   1HG   PRO  48          2HG       PRO  48  17.729 -13.201   2.975
  316   2HG   PRO  48          1HG       PRO  48  18.209 -11.979   4.165
  317   1HD   PRO  48          2HD       PRO  48  15.636 -12.254   2.664
  318   2HD   PRO  48          1HD       PRO  48  15.952 -11.739   4.334
  319    H    ASP  49           H        ASP  49  17.399  -7.603   1.392
  320    HA   ASP  49           HA       ASP  49  17.265  -8.194  -1.495
  321   1HB   ASP  49          2HB       ASP  49  14.934  -8.240  -0.717
  322   2HB   ASP  49          1HB       ASP  49  15.163  -6.700   0.086
  323    H    THR  50           H        THR  50  17.287  -5.662   0.974
  324    HA   THR  50           HA       THR  50  18.206  -3.622  -0.848
  325    HB   THR  50           HB       THR  50  18.371  -2.296   1.353
  326    HG1  THR  50           1HG      THR  50  17.446  -3.540   3.115
  327   1HG2  THR  50          1HG2      THR  50  15.805  -3.928   1.003
  328   2HG2  THR  50          2HG2      THR  50  16.170  -2.477   0.086
  329   3HG2  THR  50          3HG2      THR  50  15.932  -2.382   1.821
  330    H    CYS  51           H        CYS  51  20.007  -3.729   2.138
  331    HA   CYS  51           HA       CYS  51  22.476  -4.253   0.562
  332   1HB   CYS  51          2HB       CYS  51  21.855  -2.389   2.822
  333   2HB   CYS  51          1HB       CYS  51  23.470  -2.715   2.277
  334    H    SER  52           H        SER  52  24.399  -4.595   2.142
  335    HA   SER  52           HA       SER  52  24.345  -7.205   3.035
  336   1HB   SER  52          2HB       SER  52  26.181  -4.902   3.784
  337   2HB   SER  52          1HB       SER  52  26.561  -6.608   4.071
  338    HG   SER  52           HG       SER  52  26.417  -6.992   1.905
  339    H    GLN  53           H        GLN  53  24.076  -4.364   5.116
  340    HA   GLN  53           HA       GLN  53  23.126  -6.185   7.303
  341   1HB   GLN  53          2HB       GLN  53  24.878  -3.719   7.546
  342   2HB   GLN  53          1HB       GLN  53  24.222  -4.605   8.913
  343   1HG   GLN  53          2HG       GLN  53  26.025  -5.787   6.795
  344   2HG   GLN  53          1HG       GLN  53  26.564  -5.248   8.377
  345   1HE2  GLN  53          1HE2      GLN  53  25.778  -8.006   6.726
  346   2HE2  GLN  53          2HE2      GLN  53  25.227  -8.971   8.008
  347    H    LEU  54           H        LEU  54  23.195  -2.917   8.237
  348    HA   LEU  54           HA       LEU  54  20.428  -2.915   8.686
  349   1HB   LEU  54          2HB       LEU  54  22.346  -0.587   8.541
  350   2HB   LEU  54          1HB       LEU  54  20.716  -0.514   9.175
  351    HG   LEU  54           HG       LEU  54  23.051  -2.015  10.358
  352   1HD1  LEU  54          1HD1      LEU  54  22.819   0.443  10.723
  353   2HD1  LEU  54          2HD1      LEU  54  22.515  -0.447  12.214
  354   3HD1  LEU  54          3HD1      LEU  54  21.174   0.193  11.268
  355   1HD2  LEU  54          1HD2      LEU  54  20.948  -3.393  10.570
  356   2HD2  LEU  54          2HD2      LEU  54  20.126  -1.988  11.237
  357   3HD2  LEU  54          3HD2      LEU  54  21.459  -2.733  12.111
  358    H    CYS  55           H        CYS  55  19.055  -1.451   8.277
  359    HA   CYS  55           HA       CYS  55  18.818  -0.016   5.745
  360   1HB   CYS  55          2HB       CYS  55  18.501  -2.381   5.040
  361   2HB   CYS  55          1HB       CYS  55  17.291  -2.603   6.237
  362    H    VAL  56           H        VAL  56  16.230   0.477   5.594
  363    HA   VAL  56           HA       VAL  56  14.919   0.800   8.170
  364    HB   VAL  56           HB       VAL  56  16.557   2.652   8.308
  365   1HG1  VAL  56          1HG1      VAL  56  16.609   4.518   6.704
  366   2HG1  VAL  56          2HG1      VAL  56  15.445   3.722   5.676
  367   3HG1  VAL  56          3HG1      VAL  56  17.036   3.020   5.906
  368   1HG2  VAL  56          1HG2      VAL  56  14.982   4.559   8.580
  369   2HG2  VAL  56          2HG2      VAL  56  14.320   3.071   9.232
  370   3HG2  VAL  56          3HG2      VAL  56  13.757   3.678   7.684
  371    H    ASN  57           H        ASN  57  13.224  -0.125   7.415
  372    HA   ASN  57           HA       ASN  57  11.995   0.500   4.841
  373   1HB   ASN  57          2HB       ASN  57  12.090  -1.841   5.683
  374   2HB   ASN  57          1HB       ASN  57  11.082  -1.352   7.041
  375   1HD2  ASN  57          1HD2      ASN  57   9.090  -2.323   6.655
  376   2HD2  ASN  57          2HD2      ASN  57   8.224  -2.186   5.200
  377    H    LEU  58           H        LEU  58   9.936   0.924   4.550
  378    HA   LEU  58           HA       LEU  58   7.819   1.744   6.148
  379   1HB   LEU  58          2HB       LEU  58   7.837   4.206   6.026
  380   2HB   LEU  58          1HB       LEU  58   9.255   3.705   6.884
  381    HG   LEU  58           HG       LEU  58   9.314   4.378   3.921
  382   1HD1  LEU  58          1HD1      LEU  58  10.047   6.123   6.352
  383   2HD1  LEU  58          2HD1      LEU  58   8.649   6.396   5.324
  384   3HD1  LEU  58          3HD1      LEU  58  10.266   6.583   4.671
  385   1HD2  LEU  58          1HD2      LEU  58  11.454   4.154   6.030
  386   2HD2  LEU  58          2HD2      LEU  58  11.706   4.643   4.362
  387   3HD2  LEU  58          3HD2      LEU  58  11.161   3.021   4.716
  388    H    GLU  59           H        GLU  59   6.825   3.742   4.581
  389    HA   GLU  59           HA       GLU  59   6.245   2.286   2.112
  390   1HB   GLU  59          2HB       GLU  59   4.977   4.557   3.625
  391   2HB   GLU  59          1HB       GLU  59   4.471   4.282   1.991
  392   1HG   GLU  59          2HG       GLU  59   3.016   2.996   3.622
  393   2HG   GLU  59          1HG       GLU  59   3.900   1.890   2.608
  394    H    GLY  60           H        GLY  60   7.348   2.389   0.521
  395   1HA   GLY  60          2HA       GLY  60   8.353   3.081  -1.391
  396   2HA   GLY  60          1HA       GLY  60   7.547   4.614  -1.136
  397    H    GLY  61           H        GLY  61   8.910   4.739   1.539
  398   1HA   GLY  61          2HA       GLY  61  11.339   6.136   0.677
  399   2HA   GLY  61          1HA       GLY  61  10.635   6.135   2.293
  400    H    TYR  62           H        TYR  62  10.635   3.085   1.681
  401    HA   TYR  62           HA       TYR  62  12.564   2.210   3.466
  402   1HB   TYR  62          2HB       TYR  62  12.379   0.006   2.527
  403   2HB   TYR  62          1HB       TYR  62  10.831   0.757   2.165
  404    HD1  TYR  62           1HD      TYR  62  13.824  -0.666   0.826
  405    HD2  TYR  62           2HD      TYR  62  10.492   1.775  -0.217
  406    HE1  TYR  62           1HE      TYR  62  14.331  -1.020  -1.524
  407    HE2  TYR  62           2HE      TYR  62  11.001   1.421  -2.586
  408    HH   TYR  62           HH       TYR  62  12.808  -0.949  -3.759
  409    H    LYS  63           H        LYS  63  14.798   2.144   3.525
  410    HA   LYS  63           HA       LYS  63  16.282   1.981   1.046
  411   1HB   LYS  63          2HB       LYS  63  17.538   3.959   1.715
  412   2HB   LYS  63          1HB       LYS  63  15.961   4.355   1.075
  413   1HG   LYS  63          2HG       LYS  63  15.242   4.515   3.572
  414   2HG   LYS  63          1HG       LYS  63  16.933   4.293   3.987
  415   1HD   LYS  63          2HD       LYS  63  15.819   6.586   2.324
  416   2HD   LYS  63          1HD       LYS  63  16.293   6.687   4.008
  417   1HE   LYS  63          2HE       LYS  63  18.643   6.091   3.382
  418   2HE   LYS  63          1HE       LYS  63  18.169   6.027   1.689
  419   1HZ   LYS  63          1HZ       LYS  63  19.180   8.144   2.443
  420   2HZ   LYS  63          2HZ       LYS  63  17.779   8.425   3.360
  421   3HZ   LYS  63          3HZ       LYS  63  17.674   8.294   1.671
  422    H    CYS  64           H        CYS  64  18.575   2.018   1.446
  423    HA   CYS  64           HA       CYS  64  19.237   0.158   3.579
  424   1HB   CYS  64          2HB       CYS  64  20.929   1.538   1.521
  425   2HB   CYS  64          1HB       CYS  64  21.533   0.375   2.645
  426    H    GLN  65           H        GLN  65  21.049   0.357   4.831
  427    HA   GLN  65           HA       GLN  65  21.959   2.987   5.911
  428   1HB   GLN  65          2HB       GLN  65  20.883   0.658   7.522
  429   2HB   GLN  65          1HB       GLN  65  21.582   2.087   8.224
  430   1HG   GLN  65          2HG       GLN  65  19.029   2.124   6.566
  431   2HG   GLN  65          1HG       GLN  65  19.067   2.043   8.315
  432   1HE2  GLN  65          1HE2      GLN  65  20.569   4.148   5.742
  433   2HE2  GLN  65          2HE2      GLN  65  20.278   5.584   6.592
  434    H    CYS  66           H        CYS  66  23.394   1.677   7.961
  435    HA   CYS  66           HA       CYS  66  25.137  -0.300   6.675
  436   1HB   CYS  66          2HB       CYS  66  26.015   2.333   7.726
  437   2HB   CYS  66          1HB       CYS  66  27.020   1.100   7.201
  438    H    GLU  67           H        GLU  67  26.538  -1.233   7.957
  439    HA   GLU  67           HA       GLU  67  25.764  -1.413  10.816
  440   1HB   GLU  67          2HB       GLU  67  26.200  -3.426   9.281
  441   2HB   GLU  67          1HB       GLU  67  27.898  -3.027   9.311
  442   1HG   GLU  67          2HG       GLU  67  26.156  -3.808  11.700
  443   2HG   GLU  67          1HG       GLU  67  27.386  -4.802  10.960
  444    H    GLU  68           H        GLU  68  26.564   0.929  10.745
  445    HA   GLU  68           HA       GLU  68  28.065   2.553  11.388
  446   1HB   GLU  68          2HB       GLU  68  29.374   0.143  12.696
  447   2HB   GLU  68          1HB       GLU  68  29.774   1.801  13.068
  448   1HG   GLU  68          2HG       GLU  68  27.402   2.203  13.770
  449   2HG   GLU  68          1HG       GLU  68  26.986   0.551  13.339
  450    H    GLY  69           H        GLY  69  30.493   0.063  11.079
  451   1HA   GLY  69          2HA       GLY  69  32.505   1.669   9.994
  452   2HA   GLY  69          1HA       GLY  69  32.536  -0.073  10.081
  453    H    PHE  70           H        PHE  70  29.918   0.175   8.324
  454    HA   PHE  70           HA       PHE  70  31.306  -0.357   5.914
  455   1HB   PHE  70          2HB       PHE  70  28.404   0.112   6.443
  456   2HB   PHE  70          1HB       PHE  70  29.025  -0.360   4.891
  457    HD1  PHE  70           1HD      PHE  70  27.243  -2.101   5.169
  458    HD2  PHE  70           2HD      PHE  70  30.776  -2.046   7.553
  459    HE1  PHE  70           1HE      PHE  70  26.933  -4.444   5.697
  460    HE2  PHE  70           2HE      PHE  70  30.455  -4.412   8.089
  461    HZ   PHE  70           HZ       PHE  70  28.532  -5.628   7.161
  462    H    GLN  71           H        GLN  71  30.943   0.702   3.836
  463    HA   GLN  71           HA       GLN  71  30.307   3.545   3.885
  464   1HB   GLN  71          2HB       GLN  71  32.858   2.181   3.131
  465   2HB   GLN  71          1HB       GLN  71  32.383   3.521   2.149
  466   1HG   GLN  71          2HG       GLN  71  32.678   3.610   5.199
  467   2HG   GLN  71          1HG       GLN  71  33.844   4.272   4.054
  468   1HE2  GLN  71          1HE2      GLN  71  32.536   5.960   5.930
  469   2HE2  GLN  71          2HE2      GLN  71  31.501   7.012   5.092
  470    H    LEU  72           H        LEU  72  30.496   4.391   1.644
  471    HA   LEU  72           HA       LEU  72  28.507   2.887   0.088
  472   1HB   LEU  72          2HB       LEU  72  28.395   5.360   0.266
  473   2HB   LEU  72          1HB       LEU  72  29.917   5.492  -0.591
  474    HG   LEU  72           HG       LEU  72  28.876   4.299  -2.561
  475   1HD1  LEU  72          1HD1      LEU  72  26.281   4.541  -0.985
  476   2HD1  LEU  72          2HD1      LEU  72  27.087   3.035  -1.391
  477   3HD1  LEU  72          3HD1      LEU  72  26.414   4.034  -2.659
  478   1HD2  LEU  72          1HD2      LEU  72  27.371   6.774  -1.611
  479   2HD2  LEU  72          2HD2      LEU  72  27.453   6.214  -3.278
  480   3HD2  LEU  72          3HD2      LEU  72  28.907   6.782  -2.471
  481    H    ASP  73           H        ASP  73  29.231   1.201  -0.876
  482    HA   ASP  73           HA       ASP  73  31.842   0.966  -2.160
  483   1HB   ASP  73          2HB       ASP  73  30.658  -0.918  -1.015
  484   2HB   ASP  73          1HB       ASP  73  29.411  -0.894  -2.245
  485    HA   PRO  74           HA       PRO  74  30.095   2.733  -5.928
  486   1HB   PRO  74          2HB       PRO  74  32.261   2.685  -7.505
  487   2HB   PRO  74          1HB       PRO  74  32.188   3.750  -6.122
  488   1HG   PRO  74          2HG       PRO  74  33.518   1.081  -6.328
  489   2HG   PRO  74          1HG       PRO  74  34.126   2.601  -5.651
  490   1HD   PRO  74          2HD       PRO  74  33.084   0.604  -4.108
  491   2HD   PRO  74          1HD       PRO  74  33.018   2.318  -3.655
  492    H    HIS  75           H        HIS  75  29.736   2.150  -8.103
  493    HA   HIS  75           HA       HIS  75  29.017   0.733  -9.816
  494   1HB   HIS  75          2HB       HIS  75  31.040  -1.259  -8.674
  495   2HB   HIS  75          1HB       HIS  75  30.317  -1.299 -10.271
  496    HD1  HIS  75           1HD      HIS  75  32.693   0.763  -8.289
  497    HD2  HIS  75           2HD      HIS  75  31.538   0.346 -12.181
  498    HE1  HIS  75           1HE      HIS  75  34.271   2.110  -9.628
  499    H    THR  76           H        THR  76  28.499   0.181  -6.686
  500    HA   THR  76           HA       THR  76  26.477  -1.957  -7.157
  501    HB   THR  76           HB       THR  76  27.074  -2.909  -4.881
  502    HG1  THR  76           1HG      THR  76  29.266  -1.139  -5.107
  503   1HG2  THR  76          1HG2      THR  76  29.587  -2.606  -6.643
  504   2HG2  THR  76          2HG2      THR  76  28.358  -3.825  -6.939
  505   3HG2  THR  76          3HG2      THR  76  29.304  -3.869  -5.459
  506    H    LYS  77           H        LYS  77  27.644   0.589  -5.209
  507    HA   LYS  77           HA       LYS  77  26.659   2.342  -4.024
  508   1HB   LYS  77          2HB       LYS  77  24.177   1.331  -5.179
  509   2HB   LYS  77          1HB       LYS  77  24.324   2.876  -4.389
  510   1HG   LYS  77          2HG       LYS  77  26.031   3.573  -6.070
  511   2HG   LYS  77          1HG       LYS  77  25.859   2.033  -6.896
  512   1HD   LYS  77          2HD       LYS  77  23.446   2.532  -7.304
  513   2HD   LYS  77          1HD       LYS  77  23.645   4.092  -6.523
  514   1HE   LYS  77          2HE       LYS  77  25.345   4.737  -8.222
  515   2HE   LYS  77          1HE       LYS  77  25.171   3.167  -8.997
  516   1HZ   LYS  77          1HZ       LYS  77  23.064   5.222  -8.700
  517   2HZ   LYS  77          2HZ       LYS  77  22.831   3.679  -9.369
  518   3HZ   LYS  77          3HZ       LYS  77  23.868   4.786 -10.133
  519    H    ALA  78           H        ALA  78  26.279  -0.810  -3.386
  520    HA   ALA  78           HA       ALA  78  24.371  -0.729  -1.164
  521   1HB   ALA  78          1HB       ALA  78  24.704  -2.783  -2.554
  522   2HB   ALA  78          2HB       ALA  78  25.090  -3.107  -0.867
  523   3HB   ALA  78          3HB       ALA  78  26.380  -2.853  -2.033
  524    H    CYS  79           H        CYS  79  25.036  -0.992   1.097
  525    HA   CYS  79           HA       CYS  79  27.697   0.256   1.557
  526   1HB   CYS  79          2HB       CYS  79  25.475   0.929   2.816
  527   2HB   CYS  79          1HB       CYS  79  25.826  -0.495   3.778
  528    H    LYS  80           H        LYS  80  29.299  -0.747   2.553
  529    HA   LYS  80           HA       LYS  80  29.006  -3.348   3.871
  530   1HB   LYS  80          2HB       LYS  80  30.441  -4.540   2.467
  531   2HB   LYS  80          1HB       LYS  80  28.984  -4.099   1.624
  532   1HG   LYS  80          2HG       LYS  80  30.635  -3.777  -0.038
  533   2HG   LYS  80          1HG       LYS  80  30.268  -2.181   0.552
  534   1HD   LYS  80          2HD       LYS  80  32.684  -2.472   0.184
  535   2HD   LYS  80          1HD       LYS  80  32.383  -2.130   1.860
  536   1HE   LYS  80          2HE       LYS  80  32.564  -4.573   2.378
  537   2HE   LYS  80          1HE       LYS  80  32.801  -4.919   0.670
  538   1HZ   LYS  80          1HZ       LYS  80  34.922  -4.402   0.835
  539   2HZ   LYS  80          2HZ       LYS  80  34.721  -4.346   2.520
  540   3HZ   LYS  80          3HZ       LYS  80  34.599  -2.924   1.602
  541    H    ALA  81           H        ALA  81  31.085  -4.030   4.809
  542    HA   ALA  81           HA       ALA  81  32.467  -2.319   6.360
  543   1HB   ALA  81          1HB       ALA  81  34.344  -3.944   6.356
  544   2HB   ALA  81          2HB       ALA  81  33.667  -4.693   4.915
  545   3HB   ALA  81          3HB       ALA  81  32.775  -4.730   6.429
  546    H    VAL  82           H        VAL  82  33.393  -0.443   6.024
  547    HA   VAL  82           HA       VAL  82  34.374   0.709   3.749
  548    HB   VAL  82           HB       VAL  82  34.122   1.904   5.890
  549   1HG1  VAL  82          1HG1      VAL  82  35.823   1.649   7.696
  550   2HG1  VAL  82          2HG1      VAL  82  36.639   0.400   6.771
  551   3HG1  VAL  82          3HG1      VAL  82  35.033   0.112   7.402
  552   1HG2  VAL  82          1HG2      VAL  82  35.592   2.963   4.213
  553   2HG2  VAL  82          2HG2      VAL  82  36.981   2.114   4.864
  554   3HG2  VAL  82          3HG2      VAL  82  36.149   3.313   5.840
  Start of MODEL   14
    1    H    GLY   1           H        GLY   1 -25.599   2.857  -1.097
    2   1HA   GLY   1          2HA       GLY   1 -24.945   0.190  -0.355
    3   2HA   GLY   1          1HA       GLY   1 -23.774   1.424  -0.820
    4    H    THR   2           H        THR   2 -25.947   0.757   1.849
    5    HA   THR   2           HA       THR   2 -25.866   1.101   4.110
    6    HB   THR   2           HB       THR   2 -25.029  -1.106   3.676
    7    HG1  THR   2           1HG      THR   2 -24.296  -1.370   5.714
    8   1HG2  THR   2          1HG2      THR   2 -22.580  -1.568   3.895
    9   2HG2  THR   2          2HG2      THR   2 -22.261   0.154   4.026
   10   3HG2  THR   2          3HG2      THR   2 -22.848  -0.530   2.516
   11    H    ASN   3           H        ASN   3 -24.343   1.452   6.082
   12    HA   ASN   3           HA       ASN   3 -22.666   3.862   5.552
   13   1HB   ASN   3          2HB       ASN   3 -24.973   4.078   6.738
   14   2HB   ASN   3          1HB       ASN   3 -24.278   3.195   8.074
   15   1HD2  ASN   3          1HD2      ASN   3 -24.668   6.327   6.776
   16   2HD2  ASN   3          2HD2      ASN   3 -23.602   7.146   7.813
   17    H    GLU   4           H        GLU   4 -21.831   1.260   5.476
   18    HA   GLU   4           HA       GLU   4 -20.182   0.774   7.870
   19   1HB   GLU   4          2HB       GLU   4 -20.517  -0.672   5.205
   20   2HB   GLU   4          1HB       GLU   4 -19.533  -1.254   6.526
   21   1HG   GLU   4          2HG       GLU   4 -21.459  -1.470   7.986
   22   2HG   GLU   4          1HG       GLU   4 -22.502  -0.639   6.863
   23    H    CYS   5           H        CYS   5 -20.013   1.706   4.495
   24    HA   CYS   5           HA       CYS   5 -17.177   1.999   4.489
   25   1HB   CYS   5          2HB       CYS   5 -19.295   2.890   2.530
   26   2HB   CYS   5          1HB       CYS   5 -17.589   2.914   2.217
   27    H    LEU   6           H        LEU   6 -20.014   3.990   4.531
   28    HA   LEU   6           HA       LEU   6 -19.029   6.561   4.322
   29   1HB   LEU   6          2HB       LEU   6 -21.312   5.565   6.046
   30   2HB   LEU   6          1HB       LEU   6 -21.088   7.212   5.523
   31    HG   LEU   6           HG       LEU   6 -21.577   4.783   3.719
   32   1HD1  LEU   6          1HD1      LEU   6 -23.305   7.221   4.316
   33   2HD1  LEU   6          2HD1      LEU   6 -23.608   5.599   4.907
   34   3HD1  LEU   6          3HD1      LEU   6 -23.718   5.936   3.190
   35   1HD2  LEU   6          1HD2      LEU   6 -21.697   6.395   1.827
   36   2HD2  LEU   6          2HD2      LEU   6 -20.103   6.434   2.548
   37   3HD2  LEU   6          3HD2      LEU   6 -21.254   7.712   2.902
   38    H    ASP   7           H        ASP   7 -19.396   4.564   7.159
   39    HA   ASP   7           HA       ASP   7 -17.992   6.547   8.910
   40   1HB   ASP   7          2HB       ASP   7 -20.187   5.348   9.624
   41   2HB   ASP   7          1HB       ASP   7 -19.248   3.861   9.597
   42    H    ASN   8           H        ASN   8 -16.798   4.675  10.563
   43    HA   ASN   8           HA       ASN   8 -14.306   4.211   9.468
   44   1HB   ASN   8          2HB       ASN   8 -15.744   2.759  11.557
   45   2HB   ASN   8          1HB       ASN   8 -14.009   2.644  11.375
   46   1HD2  ASN   8          1HD2      ASN   8 -12.732   4.560  11.903
   47   2HD2  ASN   8          2HD2      ASN   8 -13.390   5.839  12.806
   48    H    ASN   9           H        ASN   9 -13.731   2.850   7.848
   49    HA   ASN   9           HA       ASN   9 -15.197   1.239   6.245
   50   1HB   ASN   9          2HB       ASN   9 -12.835   1.735   5.832
   51   2HB   ASN   9          1HB       ASN   9 -12.357   0.738   7.186
   52   1HD2  ASN   9          1HD2      ASN   9 -11.007  -0.348   5.441
   53   2HD2  ASN   9          2HD2      ASN   9 -11.739  -1.589   4.555
   54    H    GLY  10           H        GLY  10 -16.829   0.215   7.525
   55   1HA   GLY  10          2HA       GLY  10 -17.855  -1.618   8.535
   56   2HA   GLY  10          1HA       GLY  10 -16.529  -2.537   7.849
   57    H    GLY  11           H        GLY  11 -15.307  -0.164   9.789
   58   1HA   GLY  11          2HA       GLY  11 -15.417  -0.402  12.398
   59   2HA   GLY  11          1HA       GLY  11 -14.719  -1.991  12.055
   60    H    CYS  12           H        CYS  12 -13.141  -1.253   9.866
   61    HA   CYS  12           HA       CYS  12 -10.836   0.004  11.180
   62   1HB   CYS  12          2HB       CYS  12  -9.659  -0.920   9.210
   63   2HB   CYS  12          1HB       CYS  12 -10.662  -2.124   9.996
   64    H    SER  13           H        SER  13  -9.883   0.760   8.366
   65    HA   SER  13           HA       SER  13 -11.623   2.895   7.486
   66   1HB   SER  13          2HB       SER  13 -10.041   4.778   8.152
   67   2HB   SER  13          1HB       SER  13 -10.663   3.934   9.575
   68    HG   SER  13           HG       SER  13  -8.208   3.476   8.231
   69    H    HIS  14           H        HIS  14 -10.468   0.739   6.207
   70    HA   HIS  14           HA       HIS  14  -8.509   1.951   4.336
   71   1HB   HIS  14          2HB       HIS  14  -9.144  -0.962   5.037
   72   2HB   HIS  14          1HB       HIS  14  -7.923  -0.423   3.909
   73    HD1  HIS  14           1HD      HIS  14  -7.647  -1.822   6.872
   74    HD2  HIS  14           2HD      HIS  14  -6.556   1.963   5.799
   75    HE1  HIS  14           1HE      HIS  14  -5.959  -1.090   8.517
   76    H    VAL  15           H        VAL  15  -9.725  -0.782   3.047
   77    HA   VAL  15           HA       VAL  15 -11.813   0.646   1.480
   78    HB   VAL  15           HB       VAL  15  -9.801  -0.162   0.317
   79   1HG1  VAL  15          1HG1      VAL  15  -9.234  -2.120   1.619
   80   2HG1  VAL  15          2HG1      VAL  15  -9.421  -2.568  -0.067
   81   3HG1  VAL  15          3HG1      VAL  15 -10.679  -2.959   1.082
   82   1HG2  VAL  15          1HG2      VAL  15 -11.973  -0.039  -0.945
   83   2HG2  VAL  15          2HG2      VAL  15 -12.367  -1.673  -0.441
   84   3HG2  VAL  15          3HG2      VAL  15 -11.027  -1.393  -1.537
   85    H    CYS  16           H        CYS  16 -13.852   0.029   1.675
   86    HA   CYS  16           HA       CYS  16 -14.560  -2.229   3.395
   87   1HB   CYS  16          2HB       CYS  16 -16.804  -1.320   3.144
   88   2HB   CYS  16          1HB       CYS  16 -15.704  -0.045   3.569
   89    H    ASN  17           H        ASN  17 -14.184  -4.154   2.436
   90    HA   ASN  17           HA       ASN  17 -15.258  -4.567  -0.316
   91   1HB   ASN  17          2HB       ASN  17 -12.958  -5.184  -0.002
   92   2HB   ASN  17          1HB       ASN  17 -13.267  -6.023   1.488
   93   1HD2  ASN  17          1HD2      ASN  17 -13.641  -8.233   1.258
   94   2HD2  ASN  17          2HD2      ASN  17 -13.995  -9.021  -0.195
   95    H    ASP  18           H        ASP  18 -17.063  -4.142   0.600
   96    HA   ASP  18           HA       ASP  18 -18.513  -5.231   2.699
   97   1HB   ASP  18          2HB       ASP  18 -19.178  -3.236   1.368
   98   2HB   ASP  18          1HB       ASP  18 -19.631  -4.279   0.032
   99    H    LEU  19           H        LEU  19 -18.264  -7.321   2.934
  100    HA   LEU  19           HA       LEU  19 -18.810  -9.387   1.076
  101   1HB   LEU  19          2HB       LEU  19 -17.382  -9.285   3.301
  102   2HB   LEU  19          1HB       LEU  19 -18.912  -9.453   4.101
  103    HG   LEU  19           HG       LEU  19 -19.336 -11.632   3.038
  104   1HD1  LEU  19          1HD1      LEU  19 -17.983 -11.177   0.968
  105   2HD1  LEU  19          2HD1      LEU  19 -17.467 -12.654   1.756
  106   3HD1  LEU  19          3HD1      LEU  19 -16.531 -11.173   1.952
  107   1HD2  LEU  19          1HD2      LEU  19 -18.211 -11.435   5.224
  108   2HD2  LEU  19          2HD2      LEU  19 -16.649 -11.353   4.437
  109   3HD2  LEU  19          3HD2      LEU  19 -17.609 -12.827   4.351
  110    H    LYS  20           H        LYS  20 -20.588 -11.080   1.774
  111    HA   LYS  20           HA       LYS  20 -23.139  -9.692   1.678
  112   1HB   LYS  20          2HB       LYS  20 -24.073 -12.000   1.620
  113   2HB   LYS  20          1HB       LYS  20 -22.751 -11.833   0.483
  114   1HG   LYS  20          2HG       LYS  20 -21.207 -12.935   2.129
  115   2HG   LYS  20          1HG       LYS  20 -22.562 -13.151   3.226
  116   1HD   LYS  20          2HD       LYS  20 -23.762 -14.499   1.544
  117   2HD   LYS  20          1HD       LYS  20 -22.429 -14.299   0.418
  118   1HE   LYS  20          2HE       LYS  20 -20.901 -15.438   2.026
  119   2HE   LYS  20          1HE       LYS  20 -22.239 -15.640   3.151
  120   1HZ   LYS  20          1HZ       LYS  20 -21.953 -17.625   1.919
  121   2HZ   LYS  20          2HZ       LYS  20 -22.011 -16.795   0.438
  122   3HZ   LYS  20          3HZ       LYS  20 -23.401 -16.898   1.410
  123    H    ILE  21           H        ILE  21 -21.339 -11.658   4.003
  124    HA   ILE  21           HA       ILE  21 -22.621 -10.353   6.294
  125    HB   ILE  21           HB       ILE  21 -22.475 -13.363   5.815
  126   1HG1  ILE  21          2HG1      ILE  21 -24.917 -11.541   6.109
  127   2HG1  ILE  21          1HG1      ILE  21 -24.391 -12.307   4.624
  128   1HG2  ILE  21          1HG2      ILE  21 -21.969 -12.757   8.160
  129   2HG2  ILE  21          2HG2      ILE  21 -23.531 -13.543   8.081
  130   3HG2  ILE  21          3HG2      ILE  21 -23.437 -11.790   8.239
  131   1HD1  ILE  21          1HD1      ILE  21 -25.338 -13.819   7.085
  132   2HD1  ILE  21          2HD1      ILE  21 -24.781 -14.544   5.585
  133   3HD1  ILE  21          3HD1      ILE  21 -26.240 -13.569   5.606
  134    H    GLY  22           H        GLY  22 -20.781  -9.512   7.200
  135   1HA   GLY  22          2HA       GLY  22 -18.907  -9.796   8.624
  136   2HA   GLY  22          1HA       GLY  22 -18.548 -11.274   7.771
  137    H    TYR  23           H        TYR  23 -19.201  -8.095   6.676
  138    HA   TYR  23           HA       TYR  23 -17.702  -7.606   4.492
  139   1HB   TYR  23          2HB       TYR  23 -17.678  -5.543   6.677
  140   2HB   TYR  23          1HB       TYR  23 -17.787  -5.297   4.946
  141    HD1  TYR  23           1HD      TYR  23 -19.661  -5.733   7.920
  142    HD2  TYR  23           2HD      TYR  23 -19.913  -6.296   3.719
  143    HE1  TYR  23           1HE      TYR  23 -22.108  -5.841   8.083
  144    HE2  TYR  23           2HE      TYR  23 -22.350  -6.402   3.876
  145    HH   TYR  23           HH       TYR  23 -23.992  -6.746   6.821
  146    H    GLU  24           H        GLU  24 -15.690  -6.662   3.925
  147    HA   GLU  24           HA       GLU  24 -13.534  -7.342   5.838
  148   1HB   GLU  24          2HB       GLU  24 -13.523  -7.317   2.857
  149   2HB   GLU  24          1HB       GLU  24 -12.210  -7.791   3.888
  150   1HG   GLU  24          2HG       GLU  24 -13.746  -9.521   4.899
  151   2HG   GLU  24          1HG       GLU  24 -14.952  -9.029   3.709
  152    H    CYS  25           H        CYS  25 -11.627  -6.436   5.718
  153    HA   CYS  25           HA       CYS  25 -11.405  -3.632   5.063
  154   1HB   CYS  25          2HB       CYS  25 -10.504  -5.243   7.450
  155   2HB   CYS  25          1HB       CYS  25  -9.804  -3.695   7.107
  156    H    LEU  26           H        LEU  26 -10.627  -4.606   3.022
  157    HA   LEU  26           HA       LEU  26  -8.089  -6.036   3.044
  158   1HB   LEU  26          2HB       LEU  26  -9.397  -4.654   0.668
  159   2HB   LEU  26          1HB       LEU  26  -8.314  -6.006   0.681
  160    HG   LEU  26           HG       LEU  26 -11.148  -6.079   1.734
  161   1HD1  LEU  26          1HD1      LEU  26 -11.082  -6.031  -0.722
  162   2HD1  LEU  26          2HD1      LEU  26 -11.552  -7.627  -0.172
  163   3HD1  LEU  26          3HD1      LEU  26  -9.927  -7.352  -0.745
  164   1HD2  LEU  26          1HD2      LEU  26 -10.846  -8.494   1.993
  165   2HD2  LEU  26          2HD2      LEU  26  -9.748  -7.616   3.039
  166   3HD2  LEU  26          3HD2      LEU  26  -9.150  -8.352   1.556
  167    H    CYS  27           H        CYS  27  -6.696  -4.769   1.076
  168    HA   CYS  27           HA       CYS  27  -5.461  -2.605   2.532
  169   1HB   CYS  27          2HB       CYS  27  -4.912  -3.841  -0.134
  170   2HB   CYS  27          1HB       CYS  27  -3.966  -2.543   0.517
  171    HA   PRO  28           HA       PRO  28  -7.580   0.666   0.374
  172   1HB   PRO  28          2HB       PRO  28  -5.962   2.749   1.212
  173   2HB   PRO  28          1HB       PRO  28  -7.220   2.047   2.177
  174   1HG   PRO  28          2HG       PRO  28  -4.322   1.747   2.430
  175   2HG   PRO  28          1HG       PRO  28  -5.584   1.547   3.644
  176   1HD   PRO  28          2HD       PRO  28  -4.187  -0.498   2.297
  177   2HD   PRO  28          1HD       PRO  28  -5.609  -0.673   3.341
  178    H    ASP  29           H        ASP  29  -4.136   1.310   0.511
  179    HA   ASP  29           HA       ASP  29  -4.030   2.056  -2.325
  180   1HB   ASP  29          2HB       ASP  29  -1.830   2.927  -1.717
  181   2HB   ASP  29          1HB       ASP  29  -2.982   3.426  -0.506
  182    H    GLY  30           H        GLY  30  -1.210   1.323  -2.518
  183   1HA   GLY  30          2HA       GLY  30  -1.422  -1.144  -3.808
  184   2HA   GLY  30          1HA       GLY  30   0.048  -0.256  -3.562
  185    H    PHE  31           H        PHE  31  -0.188  -0.572  -0.506
  186    HA   PHE  31           HA       PHE  31   1.432  -2.818  -0.209
  187   1HB   PHE  31          2HB       PHE  31  -0.503  -1.543   1.755
  188   2HB   PHE  31          1HB       PHE  31   0.855  -2.551   2.204
  189    HD1  PHE  31           1HD      PHE  31   2.969  -1.646   0.330
  190    HD2  PHE  31           2HD      PHE  31   0.044   0.638   2.420
  191    HE1  PHE  31           1HE      PHE  31   4.409   0.327   0.188
  192    HE2  PHE  31           2HE      PHE  31   1.492   2.605   2.265
  193    HZ   PHE  31           HZ       PHE  31   3.707   2.420   1.160
  194    H    GLN  32           H        GLN  32   1.017  -4.671   1.282
  195    HA   GLN  32           HA       GLN  32  -1.377  -6.190   0.297
  196   1HB   GLN  32          2HB       GLN  32   0.848  -7.121  -0.305
  197   2HB   GLN  32          1HB       GLN  32   1.269  -7.205   1.401
  198   1HG   GLN  32          2HG       GLN  32  -0.579  -8.824   1.794
  199   2HG   GLN  32          1HG       GLN  32  -1.076  -8.687   0.111
  200   1HE2  GLN  32          1HE2      GLN  32   0.003  -9.984  -1.402
  201   2HE2  GLN  32          2HE2      GLN  32   1.335 -10.970  -1.033
  202    H    LEU  33           H        LEU  33  -2.605  -7.281   1.752
  203    HA   LEU  33           HA       LEU  33  -2.709  -6.166   4.470
  204   1HB   LEU  33          2HB       LEU  33  -4.741  -6.724   2.926
  205   2HB   LEU  33          1HB       LEU  33  -4.461  -8.399   3.327
  206    HG   LEU  33           HG       LEU  33  -4.602  -7.656   5.812
  207   1HD1  LEU  33          1HD1      LEU  33  -5.804  -5.186   4.498
  208   2HD1  LEU  33          2HD1      LEU  33  -4.324  -5.218   5.439
  209   3HD1  LEU  33          3HD1      LEU  33  -5.863  -5.539   6.208
  210   1HD2  LEU  33          1HD2      LEU  33  -6.425  -8.910   4.748
  211   2HD2  LEU  33          2HD2      LEU  33  -7.095  -7.422   4.099
  212   3HD2  LEU  33          3HD2      LEU  33  -7.076  -7.689   5.830
  213    H    VAL  34           H        VAL  34  -0.495  -7.112   4.860
  214    HA   VAL  34           HA       VAL  34  -0.270  -9.963   5.262
  215    HB   VAL  34           HB       VAL  34   1.995  -9.385   6.035
  216   1HG1  VAL  34          1HG1      VAL  34   1.111  -8.014   3.463
  217   2HG1  VAL  34          2HG1      VAL  34   1.528  -9.712   3.631
  218   3HG1  VAL  34          3HG1      VAL  34   2.760  -8.480   3.842
  219   1HG2  VAL  34          1HG2      VAL  34   2.780  -7.063   5.854
  220   2HG2  VAL  34          2HG2      VAL  34   1.553  -7.198   7.095
  221   3HG2  VAL  34          3HG2      VAL  34   1.139  -6.517   5.527
  222    H    ALA  35           H        ALA  35  -0.279  -7.200   7.460
  223    HA   ALA  35           HA       ALA  35  -0.288  -8.881   9.769
  224   1HB   ALA  35          1HB       ALA  35  -0.264  -6.682  10.983
  225   2HB   ALA  35          2HB       ALA  35  -0.451  -5.888   9.424
  226   3HB   ALA  35          3HB       ALA  35   0.985  -6.831   9.755
  227    H    GLN  36           H        GLN  36  -2.419  -9.701   8.599
  228    HA   GLN  36           HA       GLN  36  -4.635 -10.232   8.844
  229   1HB   GLN  36          2HB       GLN  36  -4.439  -8.601  11.430
  230   2HB   GLN  36          1HB       GLN  36  -5.730  -9.706  11.002
  231   1HG   GLN  36          2HG       GLN  36  -4.202 -11.605  10.929
  232   2HG   GLN  36          1HG       GLN  36  -2.830 -10.561  11.283
  233   1HE2  GLN  36          1HE2      GLN  36  -2.392 -10.163  13.462
  234   2HE2  GLN  36          2HE2      GLN  36  -3.426 -10.583  14.743
  235    H    ARG  37           H        ARG  37  -4.800  -6.946  10.238
  236    HA   ARG  37           HA       ARG  37  -6.728  -6.203   8.062
  237   1HB   ARG  37          2HB       ARG  37  -6.698  -5.240  10.958
  238   2HB   ARG  37          1HB       ARG  37  -7.733  -4.585   9.717
  239   1HG   ARG  37          2HG       ARG  37  -9.049  -6.101  11.055
  240   2HG   ARG  37          1HG       ARG  37  -8.837  -6.818   9.475
  241   1HD   ARG  37          2HD       ARG  37  -7.128  -8.336  10.344
  242   2HD   ARG  37          1HD       ARG  37  -7.208  -7.576  11.935
  243    HE   ARG  37           HE       ARG  37  -9.774  -8.573  10.958
  244   1HH1  ARG  37          2HH1      ARG  37  -6.809  -9.388  12.565
  245   2HH1  ARG  37          1HH1      ARG  37  -7.492 -10.751  13.379
  246   1HH2  ARG  37          1HH2      ARG  37 -10.659 -10.309  11.990
  247   2HH2  ARG  37          2HH2      ARG  37  -9.695 -11.279  13.053
  248    H    ARG  38           H        ARG  38  -3.768  -5.613   9.474
  249    HA   ARG  38           HA       ARG  38  -3.601  -2.766   8.620
  250   1HB   ARG  38          2HB       ARG  38  -2.741  -3.329  10.861
  251   2HB   ARG  38          1HB       ARG  38  -1.685  -4.549  10.203
  252   1HG   ARG  38          2HG       ARG  38  -0.513  -2.700   8.876
  253   2HG   ARG  38          1HG       ARG  38  -1.565  -1.536   9.660
  254   1HD   ARG  38          2HD       ARG  38   0.611  -1.659  10.837
  255   2HD   ARG  38          1HD       ARG  38  -0.667  -2.270  11.888
  256    HE   ARG  38           HE       ARG  38   0.529  -4.386  10.310
  257   1HH1  ARG  38          2HH1      ARG  38   0.943  -2.390  13.111
  258   2HH1  ARG  38          1HH1      ARG  38   1.942  -3.543  13.928
  259   1HH2  ARG  38          1HH2      ARG  38   1.796  -5.862  11.320
  260   2HH2  ARG  38          2HH2      ARG  38   2.433  -5.542  12.897
  261    H    CYS  39           H        CYS  39  -2.991  -2.446   6.622
  262    HA   CYS  39           HA       CYS  39  -1.560  -4.536   5.102
  263   1HB   CYS  39          2HB       CYS  39  -3.639  -3.527   4.221
  264   2HB   CYS  39          1HB       CYS  39  -2.861  -1.968   4.183
  265    H    GLU  40           H        GLU  40   0.492  -4.406   4.469
  266    HA   GLU  40           HA       GLU  40   1.897  -1.820   4.262
  267   1HB   GLU  40          2HB       GLU  40   2.237  -2.623   6.648
  268   2HB   GLU  40          1HB       GLU  40   2.912  -4.103   6.015
  269   1HG   GLU  40          2HG       GLU  40   4.793  -2.929   4.987
  270   2HG   GLU  40          1HG       GLU  40   4.120  -1.365   5.367
  271    H    ASP  41           H        ASP  41   4.026  -2.067   3.315
  272    HA   ASP  41           HA       ASP  41   3.994  -3.798   0.991
  273   1HB   ASP  41          2HB       ASP  41   4.974  -1.527   0.835
  274   2HB   ASP  41          1HB       ASP  41   6.125  -1.899   2.079
  275    H    ILE  42           H        ILE  42   5.876  -5.106   0.398
  276    HA   ILE  42           HA       ILE  42   6.348  -7.154   2.260
  277    HB   ILE  42           HB       ILE  42   6.563  -7.516  -0.200
  278   1HG1  ILE  42          2HG1      ILE  42   9.204  -8.045   1.261
  279   2HG1  ILE  42          1HG1      ILE  42   7.777  -9.051   1.385
  280   1HG2  ILE  42          1HG2      ILE  42   7.592  -5.320  -0.790
  281   2HG2  ILE  42          2HG2      ILE  42   8.541  -6.629  -1.445
  282   3HG2  ILE  42          3HG2      ILE  42   9.089  -5.790  -0.008
  283   1HD1  ILE  42          1HD1      ILE  42   9.400 -10.005  -0.204
  284   2HD1  ILE  42          2HD1      ILE  42   9.372  -8.547  -1.172
  285   3HD1  ILE  42          3HD1      ILE  42   7.933  -9.547  -1.052
  286    H    ASP  43           H        ASP  43   8.182  -7.622   3.556
  287    HA   ASP  43           HA       ASP  43   9.664  -5.244   4.439
  288   1HB   ASP  43          2HB       ASP  43   8.757  -6.935   6.073
  289   2HB   ASP  43          1HB       ASP  43   9.867  -8.130   5.429
  290    H    GLU  44           H        GLU  44  11.122  -4.679   2.976
  291    HA   GLU  44           HA       GLU  44  12.884  -6.603   1.664
  292   1HB   GLU  44          2HB       GLU  44  13.819  -4.591   0.546
  293   2HB   GLU  44          1HB       GLU  44  12.094  -4.724   0.348
  294   1HG   GLU  44          2HG       GLU  44  13.396  -2.913   2.443
  295   2HG   GLU  44          1HG       GLU  44  12.904  -2.391   0.851
  296    H    CYS  45           H        CYS  45  12.945  -5.218   4.724
  297    HA   CYS  45           HA       CYS  45  15.700  -4.525   4.821
  298   1HB   CYS  45          2HB       CYS  45  13.631  -5.001   6.987
  299   2HB   CYS  45          1HB       CYS  45  15.258  -4.552   7.322
  300    H    GLN  46           H        GLN  46  13.911  -6.911   6.617
  301    HA   GLN  46           HA       GLN  46  15.837  -8.564   7.602
  302   1HB   GLN  46          2HB       GLN  46  13.149  -9.368   6.409
  303   2HB   GLN  46          1HB       GLN  46  14.082 -10.359   7.502
  304   1HG   GLN  46          2HG       GLN  46  12.970  -7.592   8.183
  305   2HG   GLN  46          1HG       GLN  46  12.286  -9.117   8.716
  306   1HE2  GLN  46          1HE2      GLN  46  13.839 -10.547  10.026
  307   2HE2  GLN  46          2HE2      GLN  46  14.935  -9.764  11.061
  308    H    ASP  47           H        ASP  47  14.410  -8.739   4.406
  309    HA   ASP  47           HA       ASP  47  16.014 -10.931   3.549
  310   1HB   ASP  47          2HB       ASP  47  13.765 -10.598   2.618
  311   2HB   ASP  47          1HB       ASP  47  14.234  -9.031   1.980
  312    HA   PRO  48           HA       PRO  48  19.381  -8.040   2.620
  313   1HB   PRO  48          2HB       PRO  48  20.886 -10.258   1.408
  314   2HB   PRO  48          1HB       PRO  48  21.205  -9.395   2.886
  315   1HG   PRO  48          2HG       PRO  48  20.345 -11.987   2.783
  316   2HG   PRO  48          1HG       PRO  48  20.139 -10.917   4.177
  317   1HD   PRO  48          2HD       PRO  48  18.156 -11.763   2.119
  318   2HD   PRO  48          1HD       PRO  48  17.947 -11.401   3.846
  319    H    ASP  49           H        ASP  49  18.344  -6.858   1.084
  320    HA   ASP  49           HA       ASP  49  19.003  -7.511  -1.728
  321   1HB   ASP  49          2HB       ASP  49  16.710  -8.313  -1.393
  322   2HB   ASP  49          1HB       ASP  49  16.246  -6.781  -0.673
  323    H    THR  50           H        THR  50  17.115  -5.071  -0.014
  324    HA   THR  50           HA       THR  50  18.147  -2.900  -1.555
  325    HB   THR  50           HB       THR  50  16.836  -1.529   0.153
  326    HG1  THR  50           1HG      THR  50  16.986  -2.682   1.964
  327   1HG2  THR  50          1HG2      THR  50  15.657  -2.619  -1.836
  328   2HG2  THR  50          2HG2      THR  50  14.629  -2.522  -0.420
  329   3HG2  THR  50          3HG2      THR  50  15.394  -4.044  -0.846
  330    H    CYS  51           H        CYS  51  18.465  -3.201   1.995
  331    HA   CYS  51           HA       CYS  51  20.887  -1.536   1.863
  332   1HB   CYS  51          2HB       CYS  51  19.553  -2.823   4.238
  333   2HB   CYS  51          1HB       CYS  51  20.617  -1.440   4.203
  334    H    SER  52           H        SER  52  22.999  -2.284   2.640
  335    HA   SER  52           HA       SER  52  23.603  -4.997   1.983
  336   1HB   SER  52          2HB       SER  52  25.234  -2.904   3.500
  337   2HB   SER  52          1HB       SER  52  25.872  -4.381   2.771
  338    HG   SER  52           HG       SER  52  24.950  -3.668   0.779
  339    H    GLN  53           H        GLN  53  23.032  -3.279   4.964
  340    HA   GLN  53           HA       GLN  53  22.801  -5.852   6.426
  341   1HB   GLN  53          2HB       GLN  53  24.367  -3.406   7.361
  342   2HB   GLN  53          1HB       GLN  53  24.016  -4.793   8.370
  343   1HG   GLN  53          2HG       GLN  53  25.595  -4.900   5.781
  344   2HG   GLN  53          1HG       GLN  53  26.331  -4.782   7.365
  345   1HE2  GLN  53          1HE2      GLN  53  27.421  -6.817   6.697
  346   2HE2  GLN  53          2HE2      GLN  53  26.613  -8.297   6.900
  347    H    LEU  54           H        LEU  54  22.739  -2.724   8.074
  348    HA   LEU  54           HA       LEU  54  20.148  -3.297   9.063
  349   1HB   LEU  54          2HB       LEU  54  21.654  -0.723   8.986
  350   2HB   LEU  54          1HB       LEU  54  20.151  -0.976   9.847
  351    HG   LEU  54           HG       LEU  54  22.850  -2.177  10.474
  352   1HD1  LEU  54          1HD1      LEU  54  22.278   0.172  11.143
  353   2HD1  LEU  54          2HD1      LEU  54  22.382  -0.884  12.557
  354   3HD1  LEU  54          3HD1      LEU  54  20.814  -0.421  11.899
  355   1HD2  LEU  54          1HD2      LEU  54  20.142  -2.675  11.777
  356   2HD2  LEU  54          2HD2      LEU  54  21.692  -3.301  12.336
  357   3HD2  LEU  54          3HD2      LEU  54  21.010  -3.872  10.819
  358    H    CYS  55           H        CYS  55  18.459  -2.128   9.094
  359    HA   CYS  55           HA       CYS  55  17.677  -0.274   6.984
  360   1HB   CYS  55          2HB       CYS  55  17.721  -2.299   5.701
  361   2HB   CYS  55          1HB       CYS  55  16.820  -3.199   6.827
  362    H    VAL  56           H        VAL  56  15.182  -0.098   6.949
  363    HA   VAL  56           HA       VAL  56  13.880  -0.425   9.584
  364    HB   VAL  56           HB       VAL  56  14.229   2.306   8.205
  365   1HG1  VAL  56          1HG1      VAL  56  13.013   3.217  10.176
  366   2HG1  VAL  56          2HG1      VAL  56  12.802   1.594  10.811
  367   3HG1  VAL  56          3HG1      VAL  56  12.010   2.064   9.317
  368   1HG2  VAL  56          1HG2      VAL  56  15.358   1.336  10.865
  369   2HG2  VAL  56          2HG2      VAL  56  15.505   2.965  10.228
  370   3HG2  VAL  56          3HG2      VAL  56  16.290   1.633   9.407
  371    H    ASN  57           H        ASN  57  12.262  -1.610   8.791
  372    HA   ASN  57           HA       ASN  57  11.012  -1.108   6.191
  373   1HB   ASN  57          2HB       ASN  57  11.467  -3.440   7.014
  374   2HB   ASN  57          1HB       ASN  57  10.338  -3.113   8.322
  375   1HD2  ASN  57          1HD2      ASN  57   8.808  -4.714   7.771
  376   2HD2  ASN  57          2HD2      ASN  57   7.865  -4.616   6.363
  377    H    LEU  58           H        LEU  58   8.906  -0.930   5.837
  378    HA   LEU  58           HA       LEU  58   6.639  -0.481   7.419
  379   1HB   LEU  58          2HB       LEU  58   6.366   1.938   7.527
  380   2HB   LEU  58          1HB       LEU  58   7.809   1.512   8.371
  381    HG   LEU  58           HG       LEU  58   7.909   2.473   5.494
  382   1HD1  LEU  58          1HD1      LEU  58   8.237   4.069   8.108
  383   2HD1  LEU  58          2HD1      LEU  58   6.875   4.232   7.011
  384   3HD1  LEU  58          3HD1      LEU  58   8.480   4.717   6.494
  385   1HD2  LEU  58          1HD2      LEU  58  10.212   3.038   6.122
  386   2HD2  LEU  58          2HD2      LEU  58   9.917   1.330   6.312
  387   3HD2  LEU  58          3HD2      LEU  58   9.955   2.380   7.723
  388    H    GLU  59           H        GLU  59   5.550   1.659   6.002
  389    HA   GLU  59           HA       GLU  59   4.838   0.366   3.511
  390   1HB   GLU  59          2HB       GLU  59   3.871   2.754   5.048
  391   2HB   GLU  59          1HB       GLU  59   3.374   2.680   3.408
  392   1HG   GLU  59          2HG       GLU  59   1.579   1.595   4.573
  393   2HG   GLU  59          1HG       GLU  59   2.532   0.270   4.004
  394    H    GLY  60           H        GLY  60   6.407   0.295   2.299
  395   1HA   GLY  60          2HA       GLY  60   7.784   0.765   0.546
  396   2HA   GLY  60          1HA       GLY  60   6.653   2.055   0.199
  397    H    GLY  61           H        GLY  61   7.506   2.963   3.050
  398   1HA   GLY  61          2HA       GLY  61   9.572   4.854   2.150
  399   2HA   GLY  61          1HA       GLY  61   8.691   4.902   3.678
  400    H    TYR  62           H        TYR  62  10.087   1.940   2.841
  401    HA   TYR  62           HA       TYR  62  11.629   1.745   5.176
  402   1HB   TYR  62          2HB       TYR  62  12.673  -0.246   4.218
  403   2HB   TYR  62          1HB       TYR  62  11.016  -0.176   3.647
  404    HD1  TYR  62           1HD      TYR  62  14.518   0.127   2.741
  405    HD2  TYR  62           2HD      TYR  62  10.541   0.452   1.250
  406    HE1  TYR  62           1HE      TYR  62  15.387   0.118   0.469
  407    HE2  TYR  62           2HE      TYR  62  11.416   0.439  -1.038
  408    HH   TYR  62           HH       TYR  62  13.777   1.126  -2.118
  409    H    LYS  63           H        LYS  63  13.674   2.251   5.817
  410    HA   LYS  63           HA       LYS  63  15.433   3.610   3.846
  411   1HB   LYS  63          2HB       LYS  63  15.074   4.234   6.765
  412   2HB   LYS  63          1HB       LYS  63  16.112   5.027   5.639
  413   1HG   LYS  63          2HG       LYS  63  14.139   5.770   4.279
  414   2HG   LYS  63          1HG       LYS  63  13.090   4.979   5.446
  415   1HD   LYS  63          2HD       LYS  63  13.895   6.463   7.243
  416   2HD   LYS  63          1HD       LYS  63  14.974   7.264   6.112
  417   1HE   LYS  63          2HE       LYS  63  13.012   7.965   4.739
  418   2HE   LYS  63          1HE       LYS  63  11.933   7.163   5.873
  419   1HZ   LYS  63          1HZ       LYS  63  12.752   9.731   6.009
  420   2HZ   LYS  63          2HZ       LYS  63  13.750   8.966   7.149
  421   3HZ   LYS  63          3HZ       LYS  63  12.061   8.841   7.280
  422    H    CYS  64           H        CYS  64  17.632   3.516   4.358
  423    HA   CYS  64           HA       CYS  64  18.441   0.996   5.669
  424   1HB   CYS  64          2HB       CYS  64  19.899   2.801   3.785
  425   2HB   CYS  64          1HB       CYS  64  20.535   1.349   4.464
  426    H    GLN  65           H        GLN  65  20.399   0.920   6.745
  427    HA   GLN  65           HA       GLN  65  21.502   3.337   8.078
  428   1HB   GLN  65          2HB       GLN  65  20.725   0.919   9.750
  429   2HB   GLN  65          1HB       GLN  65  21.243   2.472  10.287
  430   1HG   GLN  65          2HG       GLN  65  19.182   3.563   9.577
  431   2HG   GLN  65          1HG       GLN  65  18.575   2.053   8.906
  432   1HE2  GLN  65          1HE2      GLN  65  18.235   0.232  10.460
  433   2HE2  GLN  65          2HE2      GLN  65  17.864   0.590  12.077
  434    H    CYS  66           H        CYS  66  23.280   2.019   9.707
  435    HA   CYS  66           HA       CYS  66  24.700   0.157   7.879
  436   1HB   CYS  66          2HB       CYS  66  25.986   2.198   9.653
  437   2HB   CYS  66          1HB       CYS  66  26.685   1.168   8.557
  438    H    GLU  67           H        GLU  67  26.070  -1.241   8.705
  439    HA   GLU  67           HA       GLU  67  25.354  -2.397  11.320
  440   1HB   GLU  67          2HB       GLU  67  25.547  -3.752   9.260
  441   2HB   GLU  67          1HB       GLU  67  27.242  -3.344   9.123
  442   1HG   GLU  67          2HG       GLU  67  27.666  -4.555  11.309
  443   2HG   GLU  67          1HG       GLU  67  25.953  -4.925  11.401
  444    H    GLU  68           H        GLU  68  26.357  -0.167  11.962
  445    HA   GLU  68           HA       GLU  68  27.938   0.981  13.195
  446   1HB   GLU  68          2HB       GLU  68  29.056  -1.842  13.619
  447   2HB   GLU  68          1HB       GLU  68  29.556  -0.440  14.519
  448   1HG   GLU  68          2HG       GLU  68  27.875  -1.717  15.804
  449   2HG   GLU  68          1HG       GLU  68  27.189  -0.170  15.351
  450    H    GLY  69           H        GLY  69  30.142  -1.504  12.070
  451   1HA   GLY  69          2HA       GLY  69  32.281   0.147  11.413
  452   2HA   GLY  69          1HA       GLY  69  32.060  -1.481  10.783
  453    H    PHE  70           H        PHE  70  29.408  -0.539   9.624
  454    HA   PHE  70           HA       PHE  70  30.464   0.188   7.090
  455   1HB   PHE  70          2HB       PHE  70  27.719  -0.325   8.169
  456   2HB   PHE  70          1HB       PHE  70  27.899   0.265   6.525
  457    HD1  PHE  70           1HD      PHE  70  26.893  -1.654   5.527
  458    HD2  PHE  70           2HD      PHE  70  30.232  -2.183   8.114
  459    HE1  PHE  70           1HE      PHE  70  27.120  -3.975   4.785
  460    HE2  PHE  70           2HE      PHE  70  30.443  -4.509   7.379
  461    HZ   PHE  70           HZ       PHE  70  28.886  -5.412   5.705
  462    H    GLN  71           H        GLN  71  29.706   2.040   5.847
  463    HA   GLN  71           HA       GLN  71  28.877   4.375   7.398
  464   1HB   GLN  71          2HB       GLN  71  31.327   3.937   5.743
  465   2HB   GLN  71          1HB       GLN  71  30.620   5.509   5.674
  466   1HG   GLN  71          2HG       GLN  71  31.424   4.076   8.261
  467   2HG   GLN  71          1HG       GLN  71  32.365   5.351   7.488
  468   1HE2  GLN  71          1HE2      GLN  71  31.396   5.768  10.093
  469   2HE2  GLN  71          2HE2      GLN  71  30.168   6.940  10.066
  470    H    LEU  72           H        LEU  72  28.595   6.216   5.977
  471    HA   LEU  72           HA       LEU  72  26.475   5.479   4.084
  472   1HB   LEU  72          2HB       LEU  72  26.247   7.431   5.613
  473   2HB   LEU  72          1HB       LEU  72  27.568   8.226   4.783
  474    HG   LEU  72           HG       LEU  72  26.236   8.036   2.624
  475   1HD1  LEU  72          1HD1      LEU  72  23.810   7.580   2.773
  476   2HD1  LEU  72          2HD1      LEU  72  23.981   7.158   4.467
  477   3HD1  LEU  72          3HD1      LEU  72  24.734   6.166   3.230
  478   1HD2  LEU  72          1HD2      LEU  72  24.668   9.885   3.208
  479   2HD2  LEU  72          2HD2      LEU  72  26.239  10.128   3.958
  480   3HD2  LEU  72          3HD2      LEU  72  24.891   9.532   4.917
  481    H    ASP  73           H        ASP  73  27.235   4.642   2.281
  482    HA   ASP  73           HA       ASP  73  29.597   5.588   0.874
  483   1HB   ASP  73          2HB       ASP  73  28.778   3.218   0.719
  484   2HB   ASP  73          1HB       ASP  73  27.358   3.772  -0.151
  485    HA   PRO  74           HA       PRO  74  27.320   8.878  -1.180
  486   1HB   PRO  74          2HB       PRO  74  29.243   9.842  -2.769
  487   2HB   PRO  74          1HB       PRO  74  29.373   9.981  -1.030
  488   1HG   PRO  74          2HG       PRO  74  30.630   7.925  -2.814
  489   2HG   PRO  74          1HG       PRO  74  31.370   8.893  -1.525
  490   1HD   PRO  74          2HD       PRO  74  30.540   6.339  -1.147
  491   2HD   PRO  74          1HD       PRO  74  30.536   7.555   0.145
  492    H    HIS  75           H        HIS  75  26.734   9.570  -3.318
  493    HA   HIS  75           HA       HIS  75  25.791   9.242  -5.420
  494   1HB   HIS  75          2HB       HIS  75  27.978   7.129  -5.722
  495   2HB   HIS  75          1HB       HIS  75  27.051   7.854  -7.027
  496    HD1  HIS  75           1HD      HIS  75  29.655   8.752  -4.539
  497    HD2  HIS  75           2HD      HIS  75  27.869  10.450  -7.792
  498    HE1  HIS  75           1HE      HIS  75  30.956  10.783  -5.063
  499    H    THR  76           H        THR  76  25.581   7.130  -3.065
  500    HA   THR  76           HA       THR  76  23.517   5.443  -4.377
  501    HB   THR  76           HB       THR  76  24.375   3.479  -3.000
  502    HG1  THR  76           1HG      THR  76  25.413   4.569  -1.433
  503   1HG2  THR  76          1HG2      THR  76  25.309   3.793  -5.403
  504   2HG2  THR  76          2HG2      THR  76  26.459   3.036  -4.314
  505   3HG2  THR  76          3HG2      THR  76  26.617   4.738  -4.710
  506    H    LYS  77           H        LYS  77  24.977   6.666  -1.544
  507    HA   LYS  77           HA       LYS  77  24.181   7.421   0.524
  508   1HB   LYS  77          2HB       LYS  77  21.562   7.095  -0.737
  509   2HB   LYS  77          1HB       LYS  77  21.822   7.959   0.754
  510   1HG   LYS  77          2HG       LYS  77  23.353   9.538  -0.456
  511   2HG   LYS  77          1HG       LYS  77  23.008   8.703  -1.963
  512   1HD   LYS  77          2HD       LYS  77  20.587   9.259  -1.719
  513   2HD   LYS  77          1HD       LYS  77  20.932  10.095  -0.214
  514   1HE   LYS  77          2HE       LYS  77  20.786  11.704  -2.099
  515   2HE   LYS  77          1HE       LYS  77  22.414  11.686  -1.440
  516   1HZ   LYS  77          1HZ       LYS  77  21.679   9.953  -3.705
  517   2HZ   LYS  77          2HZ       LYS  77  23.215  10.497  -3.231
  518   3HZ   LYS  77          3HZ       LYS  77  22.115  11.576  -3.947
  519    H    ALA  78           H        ALA  78  24.224   4.516  -0.491
  520    HA   ALA  78           HA       ALA  78  22.542   3.154   1.541
  521   1HB   ALA  78          1HB       ALA  78  24.222   2.061  -0.755
  522   2HB   ALA  78          2HB       ALA  78  22.485   2.324  -0.806
  523   3HB   ALA  78          3HB       ALA  78  23.160   1.105   0.268
  524    H    CYS  79           H        CYS  79  23.542   1.568   2.915
  525    HA   CYS  79           HA       CYS  79  26.240   2.397   3.768
  526   1HB   CYS  79          2HB       CYS  79  24.195   0.667   5.082
  527   2HB   CYS  79          1HB       CYS  79  25.779   0.919   5.742
  528    H    LYS  80           H        LYS  80  27.911   1.160   4.087
  529    HA   LYS  80           HA       LYS  80  27.931  -1.717   3.653
  530   1HB   LYS  80          2HB       LYS  80  29.546  -1.693   2.004
  531   2HB   LYS  80          1HB       LYS  80  28.002  -1.161   1.361
  532   1HG   LYS  80          2HG       LYS  80  29.599   0.260   0.260
  533   2HG   LYS  80          1HG       LYS  80  28.879   1.250   1.508
  534   1HD   LYS  80          2HD       LYS  80  30.870   0.991   2.934
  535   2HD   LYS  80          1HD       LYS  80  31.562  -0.161   1.801
  536   1HE   LYS  80          2HE       LYS  80  31.660   1.689   0.122
  537   2HE   LYS  80          1HE       LYS  80  30.946   2.784   1.304
  538   1HZ   LYS  80          1HZ       LYS  80  33.443   1.282   1.790
  539   2HZ   LYS  80          2HZ       LYS  80  32.802   2.557   2.707
  540   3HZ   LYS  80          3HZ       LYS  80  33.406   2.853   1.145
  541    H    ALA  81           H        ALA  81  30.301  -2.515   3.908
  542    HA   ALA  81           HA       ALA  81  31.504  -1.601   6.266
  543   1HB   ALA  81          1HB       ALA  81  32.009  -3.779   5.234
  544   2HB   ALA  81          2HB       ALA  81  33.496  -2.897   5.548
  545   3HB   ALA  81          3HB       ALA  81  32.848  -2.978   3.916
  546    H    VAL  82           H        VAL  82  32.516   0.224   6.809
  547    HA   VAL  82           HA       VAL  82  33.104   2.357   5.181
  548    HB   VAL  82           HB       VAL  82  33.104   2.450   7.649
  549   1HG1  VAL  82          1HG1      VAL  82  35.065   1.639   8.949
  550   2HG1  VAL  82          2HG1      VAL  82  35.802   1.011   7.486
  551   3HG1  VAL  82          3HG1      VAL  82  34.328   0.298   8.095
  552   1HG2  VAL  82          1HG2      VAL  82  35.753   3.402   6.483
  553   2HG2  VAL  82          2HG2      VAL  82  35.030   3.967   7.979
  554   3HG2  VAL  82          3HG2      VAL  82  34.237   4.286   6.446
  Start of MODEL   15
    1    H    GLY   1           H        GLY   1 -28.884  -1.728   0.157
    2   1HA   GLY   1          2HA       GLY   1 -25.995  -1.312  -0.429
    3   2HA   GLY   1          1HA       GLY   1 -27.155  -0.026  -0.770
    4    H    THR   2           H        THR   2 -26.174  -2.188   1.859
    5    HA   THR   2           HA       THR   2 -27.230  -0.741   3.989
    6    HB   THR   2           HB       THR   2 -24.891  -2.725   3.872
    7    HG1  THR   2           1HG      THR   2 -26.606  -3.790   3.322
    8   1HG2  THR   2          1HG2      THR   2 -26.643  -2.013   6.273
    9   2HG2  THR   2          2HG2      THR   2 -24.955  -1.538   6.149
   10   3HG2  THR   2          3HG2      THR   2 -25.377  -3.229   6.215
   11    H    ASN   3           H        ASN   3 -25.862   0.069   5.789
   12    HA   ASN   3           HA       ASN   3 -24.263   2.343   4.889
   13   1HB   ASN   3          2HB       ASN   3 -26.237   2.547   6.501
   14   2HB   ASN   3          1HB       ASN   3 -25.425   1.478   7.615
   15   1HD2  ASN   3          1HD2      ASN   3 -25.748   4.783   6.600
   16   2HD2  ASN   3          2HD2      ASN   3 -24.654   5.439   7.719
   17    H    GLU   4           H        GLU   4 -23.051  -0.152   4.587
   18    HA   GLU   4           HA       GLU   4 -21.132  -0.542   6.721
   19   1HB   GLU   4          2HB       GLU   4 -20.122  -2.161   5.275
   20   2HB   GLU   4          1HB       GLU   4 -21.837  -2.342   5.104
   21   1HG   GLU   4          2HG       GLU   4 -20.006  -0.961   3.093
   22   2HG   GLU   4          1HG       GLU   4 -20.676  -2.562   2.932
   23    H    CYS   5           H        CYS   5 -21.179   1.132   3.631
   24    HA   CYS   5           HA       CYS   5 -18.458   1.978   3.844
   25   1HB   CYS   5          2HB       CYS   5 -20.662   2.562   1.881
   26   2HB   CYS   5          1HB       CYS   5 -19.072   3.246   1.728
   27    H    LEU   6           H        LEU   6 -21.629   3.310   4.129
   28    HA   LEU   6           HA       LEU   6 -21.177   6.028   4.280
   29   1HB   LEU   6          2HB       LEU   6 -23.066   4.307   5.859
   30   2HB   LEU   6          1HB       LEU   6 -23.252   6.031   5.681
   31    HG   LEU   6           HG       LEU   6 -23.409   3.852   3.520
   32   1HD1  LEU   6          1HD1      LEU   6 -25.711   4.676   3.187
   33   2HD1  LEU   6          2HD1      LEU   6 -25.483   5.841   4.483
   34   3HD1  LEU   6          3HD1      LEU   6 -25.460   4.120   4.829
   35   1HD2  LEU   6          1HD2      LEU   6 -23.595   6.879   3.077
   36   2HD2  LEU   6          2HD2      LEU   6 -23.880   5.653   1.852
   37   3HD2  LEU   6          3HD2      LEU   6 -22.276   5.865   2.515
   38    H    ASP   7           H        ASP   7 -20.878   3.595   6.746
   39    HA   ASP   7           HA       ASP   7 -19.687   5.522   8.704
   40   1HB   ASP   7          2HB       ASP   7 -21.715   4.077   9.318
   41   2HB   ASP   7          1HB       ASP   7 -20.681   2.680   9.059
   42    H    ASN   8           H        ASN   8 -18.311   3.587  10.107
   43    HA   ASN   8           HA       ASN   8 -15.768   3.498   9.127
   44   1HB   ASN   8          2HB       ASN   8 -17.239   1.551  10.725
   45   2HB   ASN   8          1HB       ASN   8 -15.499   1.511  10.684
   46   1HD2  ASN   8          1HD2      ASN   8 -18.236   2.960  12.195
   47   2HD2  ASN   8          2HD2      ASN   8 -17.406   4.147  13.076
   48    H    ASN   9           H        ASN   9 -14.662   2.202   7.472
   49    HA   ASN   9           HA       ASN   9 -16.162   0.957   5.516
   50   1HB   ASN   9          2HB       ASN   9 -13.292   0.537   6.343
   51   2HB   ASN   9          1HB       ASN   9 -13.953  -0.202   4.903
   52   1HD2  ASN   9          1HD2      ASN   9 -14.149   2.976   6.451
   53   2HD2  ASN   9          2HD2      ASN   9 -13.758   3.890   5.076
   54    H    GLY  10           H        GLY  10 -17.710  -0.358   6.377
   55   1HA   GLY  10          2HA       GLY  10 -18.674  -2.367   7.011
   56   2HA   GLY  10          1HA       GLY  10 -17.216  -3.110   6.357
   57    H    GLY  11           H        GLY  11 -16.674  -0.793   8.746
   58   1HA   GLY  11          2HA       GLY  11 -16.942  -1.334  11.228
   59   2HA   GLY  11          1HA       GLY  11 -16.105  -2.832  10.842
   60    H    CYS  12           H        CYS  12 -14.484  -0.895   8.814
   61    HA   CYS  12           HA       CYS  12 -12.591   0.067  10.887
   62   1HB   CYS  12          2HB       CYS  12 -10.898  -0.460   9.404
   63   2HB   CYS  12          1HB       CYS  12 -11.867  -1.900   9.610
   64    H    SER  13           H        SER  13 -11.163   0.942   8.225
   65    HA   SER  13           HA       SER  13 -12.704   3.162   7.273
   66   1HB   SER  13          2HB       SER  13 -11.314   4.932   8.244
   67   2HB   SER  13          1HB       SER  13 -12.118   3.976   9.497
   68    HG   SER  13           HG       SER  13 -10.178   2.649   9.515
   69    H    HIS  14           H        HIS  14 -11.407   0.962   6.241
   70    HA   HIS  14           HA       HIS  14  -9.136   2.027   4.655
   71   1HB   HIS  14          2HB       HIS  14  -9.923  -0.804   5.441
   72   2HB   HIS  14          1HB       HIS  14  -8.551  -0.384   4.460
   73    HD1  HIS  14           1HD      HIS  14  -9.537  -0.687   7.860
   74    HD2  HIS  14           2HD      HIS  14  -6.538   1.256   5.909
   75    HE1  HIS  14           1HE      HIS  14  -7.862  -0.092   9.588
   76    H    VAL  15           H        VAL  15 -11.098  -0.806   3.967
   77    HA   VAL  15           HA       VAL  15 -12.342   0.549   1.617
   78    HB   VAL  15           HB       VAL  15 -11.013  -2.178   1.630
   79   1HG1  VAL  15          1HG1      VAL  15 -13.098  -2.223   0.243
   80   2HG1  VAL  15          2HG1      VAL  15 -11.684  -2.317  -0.780
   81   3HG1  VAL  15          3HG1      VAL  15 -12.560  -0.802  -0.630
   82   1HG2  VAL  15          1HG2      VAL  15  -9.601  -1.219  -0.119
   83   2HG2  VAL  15          2HG2      VAL  15  -9.434  -0.316   1.384
   84   3HG2  VAL  15          3HG2      VAL  15 -10.394   0.340   0.062
   85    H    CYS  16           H        CYS  16 -14.434   0.490   1.977
   86    HA   CYS  16           HA       CYS  16 -15.704  -1.621   3.552
   87   1HB   CYS  16          2HB       CYS  16 -17.698  -0.284   3.147
   88   2HB   CYS  16          1HB       CYS  16 -16.395   0.799   3.542
   89    H    ASN  17           H        ASN  17 -14.961  -3.459   2.146
   90    HA   ASN  17           HA       ASN  17 -15.901  -3.381  -0.654
   91   1HB   ASN  17          2HB       ASN  17 -13.770  -4.229  -0.344
   92   2HB   ASN  17          1HB       ASN  17 -14.145  -5.203   1.025
   93   1HD2  ASN  17          1HD2      ASN  17 -14.398  -7.402   0.421
   94   2HD2  ASN  17          2HD2      ASN  17 -14.800  -7.954  -1.129
   95    H    ASP  18           H        ASP  18 -17.835  -3.184  -0.359
   96    HA   ASP  18           HA       ASP  18 -19.773  -4.283   1.252
   97   1HB   ASP  18          2HB       ASP  18 -20.124  -2.356  -0.217
   98   2HB   ASP  18          1HB       ASP  18 -20.053  -3.386  -1.636
   99    H    LEU  19           H        LEU  19 -19.249  -6.448   1.544
  100    HA   LEU  19           HA       LEU  19 -19.472  -8.479  -0.409
  101   1HB   LEU  19          2HB       LEU  19 -18.335  -8.394   1.963
  102   2HB   LEU  19          1HB       LEU  19 -19.944  -8.624   2.579
  103    HG   LEU  19           HG       LEU  19 -20.172 -10.784   1.406
  104   1HD1  LEU  19          1HD1      LEU  19 -17.274 -10.216   0.697
  105   2HD1  LEU  19          2HD1      LEU  19 -18.585 -10.235  -0.464
  106   3HD1  LEU  19          3HD1      LEU  19 -18.126 -11.719   0.348
  107   1HD2  LEU  19          1HD2      LEU  19 -18.599 -11.973   2.897
  108   2HD2  LEU  19          2HD2      LEU  19 -19.361 -10.624   3.709
  109   3HD2  LEU  19          3HD2      LEU  19 -17.705 -10.477   3.153
  110    H    LYS  20           H        LYS  20 -21.221 -10.259  -0.052
  111    HA   LYS  20           HA       LYS  20 -23.813  -9.011  -0.415
  112   1HB   LYS  20          2HB       LYS  20 -24.605 -11.360  -0.675
  113   2HB   LYS  20          1HB       LYS  20 -23.151 -11.070  -1.607
  114   1HG   LYS  20          2HG       LYS  20 -21.788 -12.178   0.197
  115   2HG   LYS  20          1HG       LYS  20 -23.258 -12.486   1.101
  116   1HD   LYS  20          2HD       LYS  20 -22.633 -14.501  -0.098
  117   2HD   LYS  20          1HD       LYS  20 -24.144 -13.881  -0.728
  118   1HE   LYS  20          2HE       LYS  20 -22.930 -12.876  -2.669
  119   2HE   LYS  20          1HE       LYS  20 -21.407 -13.463  -2.016
  120   1HZ   LYS  20          1HZ       LYS  20 -23.693 -15.038  -3.022
  121   2HZ   LYS  20          2HZ       LYS  20 -22.438 -15.728  -2.108
  122   3HZ   LYS  20          3HZ       LYS  20 -22.098 -15.003  -3.606
  123    H    ILE  21           H        ILE  21 -22.257 -10.981   2.088
  124    HA   ILE  21           HA       ILE  21 -23.917  -9.804   4.199
  125    HB   ILE  21           HB       ILE  21 -23.587 -12.785   3.658
  126   1HG1  ILE  21          2HG1      ILE  21 -26.111 -11.055   3.655
  127   2HG1  ILE  21          1HG1      ILE  21 -25.349 -11.748   2.237
  128   1HG2  ILE  21          1HG2      ILE  21 -24.950 -13.086   5.739
  129   2HG2  ILE  21          2HG2      ILE  21 -24.946 -11.339   5.968
  130   3HG2  ILE  21          3HG2      ILE  21 -23.446 -12.253   6.068
  131   1HD1  ILE  21          1HD1      ILE  21 -25.789 -14.028   3.058
  132   2HD1  ILE  21          2HD1      ILE  21 -27.273 -13.103   2.898
  133   3HD1  ILE  21          3HD1      ILE  21 -26.584 -13.378   4.483
  134    H    GLY  22           H        GLY  22 -22.359  -9.009   5.537
  135   1HA   GLY  22          2HA       GLY  22 -20.687  -9.206   7.166
  136   2HA   GLY  22          1HA       GLY  22 -20.182 -10.691   6.406
  137    H    TYR  23           H        TYR  23 -20.605  -7.449   5.312
  138    HA   TYR  23           HA       TYR  23 -18.823  -6.928   3.359
  139   1HB   TYR  23          2HB       TYR  23 -19.018  -4.991   5.650
  140   2HB   TYR  23          1HB       TYR  23 -18.831  -4.642   3.944
  141    HD1  TYR  23           1HD      TYR  23 -21.192  -4.918   6.512
  142    HD2  TYR  23           2HD      TYR  23 -20.767  -5.643   2.356
  143    HE1  TYR  23           1HE      TYR  23 -23.634  -4.874   6.255
  144    HE2  TYR  23           2HE      TYR  23 -23.197  -5.598   2.089
  145    HH   TYR  23           HH       TYR  23 -25.259  -6.127   4.072
  146    H    GLU  24           H        GLU  24 -16.764  -6.105   3.100
  147    HA   GLU  24           HA       GLU  24 -14.803  -7.005   5.120
  148   1HB   GLU  24          2HB       GLU  24 -14.612  -6.674   2.150
  149   2HB   GLU  24          1HB       GLU  24 -13.301  -7.192   3.175
  150   1HG   GLU  24          2HG       GLU  24 -14.845  -9.052   3.950
  151   2HG   GLU  24          1HG       GLU  24 -15.994  -8.469   2.742
  152    H    CYS  25           H        CYS  25 -12.748  -6.114   5.057
  153    HA   CYS  25           HA       CYS  25 -12.585  -3.229   4.788
  154   1HB   CYS  25          2HB       CYS  25 -12.806  -3.809   7.173
  155   2HB   CYS  25          1HB       CYS  25 -11.505  -4.973   7.029
  156    H    LEU  26           H        LEU  26 -11.629  -3.837   2.658
  157    HA   LEU  26           HA       LEU  26  -9.083  -5.284   2.676
  158   1HB   LEU  26          2HB       LEU  26 -10.244  -3.756   0.340
  159   2HB   LEU  26          1HB       LEU  26  -9.188  -5.122   0.350
  160    HG   LEU  26           HG       LEU  26 -12.075  -5.276   1.204
  161   1HD1  LEU  26          1HD1      LEU  26 -12.352  -6.636  -0.871
  162   2HD1  LEU  26          2HD1      LEU  26 -10.692  -6.311  -1.305
  163   3HD1  LEU  26          3HD1      LEU  26 -11.852  -4.995  -1.234
  164   1HD2  LEU  26          1HD2      LEU  26 -10.721  -6.914   2.442
  165   2HD2  LEU  26          2HD2      LEU  26 -10.040  -7.512   0.933
  166   3HD2  LEU  26          3HD2      LEU  26 -11.754  -7.709   1.269
  167    H    CYS  27           H        CYS  27  -7.563  -4.089   0.962
  168    HA   CYS  27           HA       CYS  27  -6.469  -1.816   2.366
  169   1HB   CYS  27          2HB       CYS  27  -5.515  -3.403   0.003
  170   2HB   CYS  27          1HB       CYS  27  -4.605  -2.108   0.740
  171    HA   PRO  28           HA       PRO  28  -8.159   1.253  -0.415
  172   1HB   PRO  28          2HB       PRO  28  -6.889   3.409   0.686
  173   2HB   PRO  28          1HB       PRO  28  -8.266   2.634   1.396
  174   1HG   PRO  28          2HG       PRO  28  -5.423   2.415   2.173
  175   2HG   PRO  28          1HG       PRO  28  -6.875   2.409   3.177
  176   1HD   PRO  28          2HD       PRO  28  -5.446   0.168   2.451
  177   2HD   PRO  28          1HD       PRO  28  -7.128   0.176   3.003
  178    H    ASP  29           H        ASP  29  -4.855   1.677   0.560
  179    HA   ASP  29           HA       ASP  29  -3.974   2.767  -1.989
  180   1HB   ASP  29          2HB       ASP  29  -1.828   2.975  -0.869
  181   2HB   ASP  29          1HB       ASP  29  -3.071   3.471   0.248
  182    H    GLY  30           H        GLY  30  -1.601   1.786  -2.470
  183   1HA   GLY  30          2HA       GLY  30  -2.000  -0.482  -4.020
  184   2HA   GLY  30          1HA       GLY  30  -0.438   0.186  -3.626
  185    H    PHE  31           H        PHE  31  -0.336  -0.270  -0.894
  186    HA   PHE  31           HA       PHE  31   0.761  -2.805  -0.664
  187   1HB   PHE  31          2HB       PHE  31  -0.573  -1.110   1.433
  188   2HB   PHE  31          1HB       PHE  31   0.493  -2.438   1.755
  189    HD1  PHE  31           1HD      PHE  31   1.616  -0.295   2.901
  190    HD2  PHE  31           2HD      PHE  31   1.678  -0.997  -1.323
  191    HE1  PHE  31           1HE      PHE  31   3.545   1.121   2.654
  192    HE2  PHE  31           2HE      PHE  31   3.584   0.435  -1.551
  193    HZ   PHE  31           HZ       PHE  31   4.550   1.498   0.393
  194    H    GLN  32           H        GLN  32   0.283  -4.493   0.890
  195    HA   GLN  32           HA       GLN  32  -2.303  -5.759   0.237
  196   1HB   GLN  32          2HB       GLN  32   0.312  -6.842   1.343
  197   2HB   GLN  32          1HB       GLN  32  -1.099  -7.807   1.018
  198   1HG   GLN  32          2HG       GLN  32   0.480  -7.996  -0.871
  199   2HG   GLN  32          1HG       GLN  32  -0.964  -7.161  -1.413
  200   1HE2  GLN  32          1HE2      GLN  32  -0.578  -5.267  -2.548
  201   2HE2  GLN  32          2HE2      GLN  32   0.845  -4.346  -2.457
  202    H    LEU  33           H        LEU  33  -3.470  -6.906   1.882
  203    HA   LEU  33           HA       LEU  33  -3.555  -5.433   4.435
  204   1HB   LEU  33          2HB       LEU  33  -5.634  -6.259   3.057
  205   2HB   LEU  33          1HB       LEU  33  -5.244  -7.857   3.635
  206    HG   LEU  33           HG       LEU  33  -5.287  -6.801   6.027
  207   1HD1  LEU  33          1HD1      LEU  33  -5.218  -4.449   5.321
  208   2HD1  LEU  33          2HD1      LEU  33  -6.690  -4.746   6.220
  209   3HD1  LEU  33          3HD1      LEU  33  -6.744  -4.637   4.472
  210   1HD2  LEU  33          1HD2      LEU  33  -7.709  -7.020   6.248
  211   2HD2  LEU  33          2HD2      LEU  33  -7.037  -8.323   5.280
  212   3HD2  LEU  33          3HD2      LEU  33  -7.891  -6.992   4.499
  213    H    VAL  34           H        VAL  34  -1.223  -6.405   4.638
  214    HA   VAL  34           HA       VAL  34  -1.091  -9.170   5.547
  215    HB   VAL  34           HB       VAL  34   0.732  -8.197   4.277
  216   1HG1  VAL  34          1HG1      VAL  34   2.188  -6.481   5.240
  217   2HG1  VAL  34          2HG1      VAL  34   1.124  -6.330   6.632
  218   3HG1  VAL  34          3HG1      VAL  34   0.551  -5.873   5.032
  219   1HG2  VAL  34          1HG2      VAL  34   1.573  -8.841   7.139
  220   2HG2  VAL  34          2HG2      VAL  34   2.625  -8.868   5.735
  221   3HG2  VAL  34          3HG2      VAL  34   1.298 -10.009   5.857
  222    H    ALA  35           H        ALA  35  -0.886  -6.018   7.131
  223    HA   ALA  35           HA       ALA  35  -0.525  -7.201   9.712
  224   1HB   ALA  35          1HB       ALA  35   0.608  -5.125   9.168
  225   2HB   ALA  35          2HB       ALA  35  -0.503  -4.818  10.492
  226   3HB   ALA  35          3HB       ALA  35  -0.909  -4.311   8.863
  227    H    GLN  36           H        GLN  36  -2.740  -8.286   8.902
  228    HA   GLN  36           HA       GLN  36  -4.868  -8.862   9.430
  229   1HB   GLN  36          2HB       GLN  36  -4.521  -6.900  11.744
  230   2HB   GLN  36          1HB       GLN  36  -5.805  -8.072  11.594
  231   1HG   GLN  36          2HG       GLN  36  -4.082  -9.008  13.056
  232   2HG   GLN  36          1HG       GLN  36  -4.101  -9.918  11.552
  233   1HE2  GLN  36          1HE2      GLN  36  -2.131 -10.135  10.481
  234   2HE2  GLN  36          2HE2      GLN  36  -0.739  -9.234  10.841
  235    H    ARG  37           H        ARG  37  -5.070  -5.451  10.405
  236    HA   ARG  37           HA       ARG  37  -7.300  -5.077   8.429
  237   1HB   ARG  37          2HB       ARG  37  -6.925  -3.661  11.101
  238   2HB   ARG  37          1HB       ARG  37  -8.301  -3.508  10.027
  239   1HG   ARG  37          2HG       ARG  37  -7.491  -6.037  11.527
  240   2HG   ARG  37          1HG       ARG  37  -8.818  -4.978  11.942
  241   1HD   ARG  37          2HD       ARG  37  -9.929  -5.523   9.754
  242   2HD   ARG  37          1HD       ARG  37  -8.596  -6.607   9.374
  243    HE   ARG  37           HE       ARG  37  -9.462  -8.177  10.859
  244   1HH1  ARG  37          2HH1      ARG  37 -10.908  -5.075  11.419
  245   2HH1  ARG  37          1HH1      ARG  37 -12.074  -5.696  12.539
  246   1HH2  ARG  37          1HH2      ARG  37 -10.924  -8.981  12.275
  247   2HH2  ARG  37          2HH2      ARG  37 -12.083  -7.939  13.033
  248    H    ARG  38           H        ARG  38  -4.244  -4.288   9.311
  249    HA   ARG  38           HA       ARG  38  -4.249  -1.585   8.050
  250   1HB   ARG  38          2HB       ARG  38  -3.273  -1.686  10.320
  251   2HB   ARG  38          1HB       ARG  38  -2.189  -2.970   9.839
  252   1HG   ARG  38          2HG       ARG  38  -1.142  -1.407   8.154
  253   2HG   ARG  38          1HG       ARG  38  -2.227  -0.135   8.690
  254   1HD   ARG  38          2HD       ARG  38  -1.234  -0.253  10.970
  255   2HD   ARG  38          1HD       ARG  38  -0.170  -1.559  10.433
  256    HE   ARG  38           HE       ARG  38   0.062   0.759   8.722
  257   1HH1  ARG  38          2HH1      ARG  38   0.994  -0.562  11.788
  258   2HH1  ARG  38          1HH1      ARG  38   2.444   0.380  11.882
  259   1HH2  ARG  38          1HH2      ARG  38   1.891   1.959   8.817
  260   2HH2  ARG  38          2HH2      ARG  38   2.961   1.830  10.173
  261    H    CYS  39           H        CYS  39  -3.270  -1.327   6.174
  262    HA   CYS  39           HA       CYS  39  -2.175  -3.704   4.837
  263   1HB   CYS  39          2HB       CYS  39  -3.033  -1.022   3.776
  264   2HB   CYS  39          1HB       CYS  39  -2.500  -2.367   2.787
  265    H    GLU  40           H        GLU  40  -0.151  -4.021   4.325
  266    HA   GLU  40           HA       GLU  40   1.729  -1.727   4.178
  267   1HB   GLU  40          2HB       GLU  40   1.882  -2.794   6.455
  268   2HB   GLU  40          1HB       GLU  40   2.337  -4.300   5.680
  269   1HG   GLU  40          2HG       GLU  40   4.308  -3.188   4.631
  270   2HG   GLU  40          1HG       GLU  40   3.841  -1.667   5.356
  271    H    ASP  41           H        ASP  41   3.629  -2.240   3.072
  272    HA   ASP  41           HA       ASP  41   3.265  -4.031   0.766
  273   1HB   ASP  41          2HB       ASP  41   3.891  -1.727   0.411
  274   2HB   ASP  41          1HB       ASP  41   5.298  -1.871   1.422
  275    H    ILE  42           H        ILE  42   5.257  -5.057  -0.048
  276    HA   ILE  42           HA       ILE  42   6.196  -6.973   1.792
  277    HB   ILE  42           HB       ILE  42   6.189  -7.352  -0.699
  278   1HG1  ILE  42          2HG1      ILE  42   9.005  -7.518   0.494
  279   2HG1  ILE  42          1HG1      ILE  42   7.737  -8.699   0.751
  280   1HG2  ILE  42          1HG2      ILE  42   6.868  -5.053  -1.392
  281   2HG2  ILE  42          2HG2      ILE  42   7.904  -6.240  -2.139
  282   3HG2  ILE  42          3HG2      ILE  42   8.480  -5.328  -0.760
  283   1HD1  ILE  42          1HD1      ILE  42   9.303  -9.453  -0.996
  284   2HD1  ILE  42          2HD1      ILE  42   8.992  -8.016  -1.948
  285   3HD1  ILE  42          3HD1      ILE  42   7.711  -9.191  -1.691
  286    H    ASP  43           H        ASP  43   8.437  -7.089   2.723
  287    HA   ASP  43           HA       ASP  43   9.533  -4.352   3.247
  288   1HB   ASP  43          2HB       ASP  43   8.783  -5.872   5.133
  289   2HB   ASP  43          1HB       ASP  43  10.101  -6.951   4.717
  290    H    GLU  44           H        GLU  44  11.094  -3.762   2.008
  291    HA   GLU  44           HA       GLU  44  12.733  -5.555   0.470
  292   1HB   GLU  44          2HB       GLU  44  13.198  -2.617   1.050
  293   2HB   GLU  44          1HB       GLU  44  13.875  -3.543  -0.266
  294   1HG   GLU  44          2HG       GLU  44  12.122  -2.200  -1.086
  295   2HG   GLU  44          1HG       GLU  44  11.581  -3.860  -1.218
  296    H    CYS  45           H        CYS  45  13.058  -3.947   3.572
  297    HA   CYS  45           HA       CYS  45  15.858  -4.082   3.781
  298   1HB   CYS  45          2HB       CYS  45  13.754  -4.058   5.974
  299   2HB   CYS  45          1HB       CYS  45  15.432  -3.896   6.225
  300    H    GLN  46           H        GLN  46  13.522  -5.880   5.519
  301    HA   GLN  46           HA       GLN  46  14.960  -7.909   6.671
  302   1HB   GLN  46          2HB       GLN  46  12.170  -8.070   5.453
  303   2HB   GLN  46          1HB       GLN  46  12.807  -9.206   6.618
  304   1HG   GLN  46          2HG       GLN  46  12.465  -6.221   7.136
  305   2HG   GLN  46          1HG       GLN  46  11.378  -7.470   7.719
  306   1HE2  GLN  46          1HE2      GLN  46  14.432  -5.875   8.236
  307   2HE2  GLN  46          2HE2      GLN  46  14.865  -6.720   9.644
  308    H    ASP  47           H        ASP  47  13.553  -7.940   3.460
  309    HA   ASP  47           HA       ASP  47  14.618 -10.491   2.764
  310   1HB   ASP  47          2HB       ASP  47  12.482  -9.694   1.796
  311   2HB   ASP  47          1HB       ASP  47  13.298  -8.312   1.090
  312    HA   PRO  48           HA       PRO  48  18.562  -8.776   1.481
  313   1HB   PRO  48          2HB       PRO  48  19.442 -10.738  -0.235
  314   2HB   PRO  48          1HB       PRO  48  19.419 -10.962   1.497
  315   1HG   PRO  48          2HG       PRO  48  17.398 -11.874  -0.516
  316   2HG   PRO  48          1HG       PRO  48  18.102 -12.763   0.848
  317   1HD   PRO  48          2HD       PRO  48  15.664 -11.654   0.984
  318   2HD   PRO  48          1HD       PRO  48  16.732 -11.737   2.394
  319    H    ASP  49           H        ASP  49  17.547  -7.031   0.478
  320    HA   ASP  49           HA       ASP  49  17.653  -7.059  -2.482
  321   1HB   ASP  49          2HB       ASP  49  15.292  -7.388  -1.896
  322   2HB   ASP  49          1HB       ASP  49  15.351  -6.038  -0.779
  323    H    THR  50           H        THR  50  17.584  -5.163   0.481
  324    HA   THR  50           HA       THR  50  18.288  -2.684  -0.825
  325    HB   THR  50           HB       THR  50  18.455  -1.924   1.630
  326    HG1  THR  50           1HG      THR  50  17.620  -4.595   2.054
  327   1HG2  THR  50          1HG2      THR  50  16.258  -1.968   0.378
  328   2HG2  THR  50          2HG2      THR  50  16.032  -2.316   2.083
  329   3HG2  THR  50          3HG2      THR  50  16.015  -3.612   0.902
  330    H    CYS  51           H        CYS  51  20.182  -3.287   1.991
  331    HA   CYS  51           HA       CYS  51  22.634  -3.416   0.294
  332   1HB   CYS  51          2HB       CYS  51  21.990  -2.016   2.844
  333   2HB   CYS  51          1HB       CYS  51  23.598  -2.138   2.195
  334    H    SER  52           H        SER  52  24.630  -3.966   1.953
  335    HA   SER  52           HA       SER  52  24.117  -6.726   2.768
  336   1HB   SER  52          2HB       SER  52  26.646  -5.016   2.664
  337   2HB   SER  52          1HB       SER  52  26.605  -6.753   2.979
  338    HG   SER  52           HG       SER  52  25.479  -6.997   1.001
  339    H    GLN  53           H        GLN  53  23.270  -4.181   4.243
  340    HA   GLN  53           HA       GLN  53  23.848  -5.165   6.953
  341   1HB   GLN  53          2HB       GLN  53  24.176  -2.472   7.377
  342   2HB   GLN  53          1HB       GLN  53  25.454  -3.579   7.182
  343   1HG   GLN  53          2HG       GLN  53  25.675  -1.542   5.844
  344   2HG   GLN  53          1HG       GLN  53  25.507  -2.870   4.721
  345   1HE2  GLN  53          1HE2      GLN  53  25.098  -0.390   3.752
  346   2HE2  GLN  53          2HE2      GLN  53  23.448  -0.093   3.487
  347    H    LEU  54           H        LEU  54  22.909  -3.045   8.353
  348    HA   LEU  54           HA       LEU  54  20.187  -3.623   8.536
  349   1HB   LEU  54          2HB       LEU  54  21.702  -1.152   9.360
  350   2HB   LEU  54          1HB       LEU  54  20.033  -1.412   9.783
  351    HG   LEU  54           HG       LEU  54  22.446  -2.994  10.697
  352   1HD1  LEU  54          1HD1      LEU  54  21.597  -2.134  12.886
  353   2HD1  LEU  54          2HD1      LEU  54  20.260  -1.362  12.047
  354   3HD1  LEU  54          3HD1      LEU  54  21.896  -0.793  11.778
  355   1HD2  LEU  54          1HD2      LEU  54  20.516  -4.545  10.272
  356   2HD2  LEU  54          2HD2      LEU  54  19.497  -3.496  11.251
  357   3HD2  LEU  54          3HD2      LEU  54  20.850  -4.357  11.984
  358    H    CYS  55           H        CYS  55  18.501  -2.140   8.562
  359    HA   CYS  55           HA       CYS  55  18.325  -0.091   6.478
  360   1HB   CYS  55          2HB       CYS  55  18.317  -2.080   5.100
  361   2HB   CYS  55          1HB       CYS  55  17.137  -2.862   6.044
  362    H    VAL  56           H        VAL  56  15.916   0.439   6.106
  363    HA   VAL  56           HA       VAL  56  14.196   0.092   8.467
  364    HB   VAL  56           HB       VAL  56  15.606   1.995   9.119
  365   1HG1  VAL  56          1HG1      VAL  56  15.740   4.091   7.818
  366   2HG1  VAL  56          2HG1      VAL  56  14.822   3.388   6.509
  367   3HG1  VAL  56          3HG1      VAL  56  16.410   2.756   6.905
  368   1HG2  VAL  56          1HG2      VAL  56  13.874   3.754   9.409
  369   2HG2  VAL  56          2HG2      VAL  56  13.234   2.152   9.734
  370   3HG2  VAL  56          3HG2      VAL  56  12.862   2.957   8.217
  371    H    ASN  57           H        ASN  57  12.589  -0.718   7.447
  372    HA   ASN  57           HA       ASN  57  11.683   0.127   4.800
  373   1HB   ASN  57          2HB       ASN  57  11.778  -2.265   5.446
  374   2HB   ASN  57          1HB       ASN  57  10.606  -1.951   6.715
  375   1HD2  ASN  57          1HD2      ASN  57   8.824  -3.132   6.004
  376   2HD2  ASN  57          2HD2      ASN  57   8.064  -2.894   4.506
  377    H    LEU  58           H        LEU  58   9.557   0.468   4.330
  378    HA   LEU  58           HA       LEU  58   7.400   1.297   6.000
  379   1HB   LEU  58          2HB       LEU  58   7.424   3.735   5.701
  380   2HB   LEU  58          1HB       LEU  58   8.836   3.241   6.567
  381    HG   LEU  58           HG       LEU  58   8.932   3.837   3.581
  382   1HD1  LEU  58          1HD1      LEU  58   9.603   5.640   5.969
  383   2HD1  LEU  58          2HD1      LEU  58   8.226   5.863   4.905
  384   3HD1  LEU  58          3HD1      LEU  58   9.853   6.045   4.279
  385   1HD2  LEU  58          1HD2      LEU  58  10.801   2.486   4.523
  386   2HD2  LEU  58          2HD2      LEU  58  11.039   3.690   5.780
  387   3HD2  LEU  58          3HD2      LEU  58  11.345   4.093   4.105
  388    H    GLU  59           H        GLU  59   6.541   3.324   4.236
  389    HA   GLU  59           HA       GLU  59   5.385   1.647   2.212
  390   1HB   GLU  59          2HB       GLU  59   4.198   3.664   3.391
  391   2HB   GLU  59          1HB       GLU  59   5.213   4.724   2.452
  392   1HG   GLU  59          2HG       GLU  59   4.002   3.676   0.295
  393   2HG   GLU  59          1HG       GLU  59   2.894   2.982   1.440
  394    H    GLY  60           H        GLY  60   7.153   0.899   1.227
  395   1HA   GLY  60          2HA       GLY  60   8.596   0.650  -0.517
  396   2HA   GLY  60          1HA       GLY  60   7.615   1.864  -1.317
  397    H    GLY  61           H        GLY  61   8.608   3.295   1.388
  398   1HA   GLY  61          2HA       GLY  61  10.731   4.839   0.046
  399   2HA   GLY  61          1HA       GLY  61   9.997   5.202   1.604
  400    H    TYR  62           H        TYR  62  10.868   2.087   1.608
  401    HA   TYR  62           HA       TYR  62  12.603   1.950   3.678
  402   1HB   TYR  62          2HB       TYR  62  13.421  -0.199   2.846
  403   2HB   TYR  62          1HB       TYR  62  11.735  -0.014   2.383
  404    HD1  TYR  62           1HD      TYR  62  11.182   0.634  -0.027
  405    HD2  TYR  62           2HD      TYR  62  15.158  -0.192   1.231
  406    HE1  TYR  62           1HE      TYR  62  11.895   0.452  -2.361
  407    HE2  TYR  62           2HE      TYR  62  15.875  -0.377  -1.089
  408    HH   TYR  62           HH       TYR  62  14.372  -1.021  -3.421
  409    H    LYS  63           H        LYS  63  14.729   2.302   4.242
  410    HA   LYS  63           HA       LYS  63  16.641   3.025   2.106
  411   1HB   LYS  63          2HB       LYS  63  16.307   4.331   4.785
  412   2HB   LYS  63          1HB       LYS  63  17.515   4.679   3.628
  413   1HG   LYS  63          2HG       LYS  63  14.531   5.143   3.216
  414   2HG   LYS  63          1HG       LYS  63  15.687   6.397   3.573
  415   1HD   LYS  63          2HD       LYS  63  15.700   4.715   1.021
  416   2HD   LYS  63          1HD       LYS  63  15.137   6.362   1.158
  417   1HE   LYS  63          2HE       LYS  63  17.421   7.099   1.814
  418   2HE   LYS  63          1HE       LYS  63  17.998   5.441   1.686
  419   1HZ   LYS  63          1HZ       LYS  63  18.456   6.723  -0.295
  420   2HZ   LYS  63          2HZ       LYS  63  16.795   6.994  -0.524
  421   3HZ   LYS  63          3HZ       LYS  63  17.420   5.418  -0.623
  422    H    CYS  64           H        CYS  64  18.749   2.731   2.664
  423    HA   CYS  64           HA       CYS  64  19.273   0.384   4.327
  424   1HB   CYS  64          2HB       CYS  64  21.064   2.141   2.653
  425   2HB   CYS  64          1HB       CYS  64  21.619   0.745   3.507
  426    H    GLN  65           H        GLN  65  21.152   0.363   5.693
  427    HA   GLN  65           HA       GLN  65  21.909   2.754   7.317
  428   1HB   GLN  65          2HB       GLN  65  20.577   0.272   8.427
  429   2HB   GLN  65          1HB       GLN  65  21.262   1.553   9.410
  430   1HG   GLN  65          2HG       GLN  65  19.582   3.136   8.390
  431   2HG   GLN  65          1HG       GLN  65  18.881   1.788   7.506
  432   1HE2  GLN  65          1HE2      GLN  65  17.822   3.537   9.785
  433   2HE2  GLN  65          2HE2      GLN  65  17.257   2.416  10.928
  434    H    CYS  66           H        CYS  66  23.046   0.960   9.284
  435    HA   CYS  66           HA       CYS  66  25.065  -0.492   7.690
  436   1HB   CYS  66          2HB       CYS  66  25.661   1.205  10.036
  437   2HB   CYS  66          1HB       CYS  66  26.716   0.297   9.124
  438    H    GLU  67           H        GLU  67  26.017  -2.106   8.665
  439    HA   GLU  67           HA       GLU  67  24.612  -3.401  10.928
  440   1HB   GLU  67          2HB       GLU  67  25.170  -4.660   8.853
  441   2HB   GLU  67          1HB       GLU  67  26.873  -4.350   9.109
  442   1HG   GLU  67          2HG       GLU  67  26.712  -5.730  11.245
  443   2HG   GLU  67          1HG       GLU  67  25.017  -6.002  10.883
  444    H    GLU  68           H        GLU  68  25.685  -1.165  11.746
  445    HA   GLU  68           HA       GLU  68  26.965  -0.163  13.345
  446   1HB   GLU  68          2HB       GLU  68  27.679  -3.059  14.014
  447   2HB   GLU  68          1HB       GLU  68  28.144  -1.701  14.990
  448   1HG   GLU  68          2HG       GLU  68  26.067  -2.751  15.869
  449   2HG   GLU  68          1HG       GLU  68  25.707  -1.132  15.308
  450    H    GLY  69           H        GLY  69  29.163  -2.812  12.690
  451   1HA   GLY  69          2HA       GLY  69  31.518  -1.317  12.708
  452   2HA   GLY  69          1HA       GLY  69  31.364  -2.927  12.039
  453    H    PHE  70           H        PHE  70  29.211  -1.532  10.219
  454    HA   PHE  70           HA       PHE  70  30.979  -1.243   8.025
  455   1HB   PHE  70          2HB       PHE  70  28.032  -0.798   8.339
  456   2HB   PHE  70          1HB       PHE  70  28.833  -0.592   6.807
  457    HD1  PHE  70           1HD      PHE  70  29.783  -3.334   9.101
  458    HD2  PHE  70           2HD      PHE  70  27.490  -2.208   5.735
  459    HE1  PHE  70           1HE      PHE  70  29.420  -5.705   8.588
  460    HE2  PHE  70           2HE      PHE  70  27.107  -4.576   5.201
  461    HZ   PHE  70           HZ       PHE  70  28.074  -6.336   6.626
  462    H    GLN  71           H        GLN  71  31.096   0.590   6.579
  463    HA   GLN  71           HA       GLN  71  30.669   3.218   7.802
  464   1HB   GLN  71          2HB       GLN  71  33.131   1.993   6.599
  465   2HB   GLN  71          1HB       GLN  71  32.889   3.680   6.334
  466   1HG   GLN  71          2HG       GLN  71  32.885   2.371   9.097
  467   2HG   GLN  71          1HG       GLN  71  34.246   3.261   8.412
  468   1HE2  GLN  71          1HE2      GLN  71  33.088   4.230  10.764
  469   2HE2  GLN  71          2HE2      GLN  71  32.231   5.661  10.447
  470    H    LEU  72           H        LEU  72  31.061   4.898   6.222
  471    HA   LEU  72           HA       LEU  72  29.143   4.428   4.048
  472   1HB   LEU  72          2HB       LEU  72  29.110   6.540   5.321
  473   2HB   LEU  72          1HB       LEU  72  30.702   6.945   4.712
  474    HG   LEU  72           HG       LEU  72  29.780   6.828   2.350
  475   1HD1  LEU  72          1HD1      LEU  72  27.332   6.835   2.005
  476   2HD1  LEU  72          2HD1      LEU  72  27.077   6.558   3.719
  477   3HD1  LEU  72          3HD1      LEU  72  27.844   5.328   2.728
  478   1HD2  LEU  72          1HD2      LEU  72  29.937   8.998   3.544
  479   2HD2  LEU  72          2HD2      LEU  72  28.336   8.747   4.228
  480   3HD2  LEU  72          3HD2      LEU  72  28.528   8.977   2.495
  481    H    ASP  73           H        ASP  73  29.889   3.278   2.459
  482    HA   ASP  73           HA       ASP  73  32.557   3.532   1.308
  483   1HB   ASP  73          2HB       ASP  73  31.355   1.362   1.268
  484   2HB   ASP  73          1HB       ASP  73  30.084   2.058   0.285
  485    HA   PRO  74           HA       PRO  74  31.042   6.988  -1.201
  486   1HB   PRO  74          2HB       PRO  74  33.363   7.684  -2.392
  487   2HB   PRO  74          1HB       PRO  74  33.085   8.013  -0.698
  488   1HG   PRO  74          2HG       PRO  74  34.574   5.717  -1.909
  489   2HG   PRO  74          1HG       PRO  74  35.043   6.785  -0.574
  490   1HD   PRO  74          2HD       PRO  74  34.001   4.340  -0.143
  491   2HD   PRO  74          1HD       PRO  74  33.701   5.699   0.954
  492    H    HIS  75           H        HIS  75  30.995   7.510  -3.471
  493    HA   HIS  75           HA       HIS  75  30.521   7.032  -5.701
  494   1HB   HIS  75          2HB       HIS  75  32.575   4.801  -5.318
  495   2HB   HIS  75          1HB       HIS  75  32.001   5.424  -6.858
  496    HD1  HIS  75           1HD      HIS  75  34.061   6.472  -3.950
  497    HD2  HIS  75           2HD      HIS  75  33.122   7.882  -7.664
  498    HE1  HIS  75           1HE      HIS  75  35.566   8.382  -4.368
  499    H    THR  76           H        THR  76  29.643   5.156  -3.292
  500    HA   THR  76           HA       THR  76  27.819   3.460  -4.925
  501    HB   THR  76           HB       THR  76  28.206   1.574  -3.262
  502    HG1  THR  76           1HG      THR  76  30.289   3.295  -2.418
  503   1HG2  THR  76          1HG2      THR  76  30.517   0.945  -3.968
  504   2HG2  THR  76          2HG2      THR  76  30.872   2.602  -4.421
  505   3HG2  THR  76          3HG2      THR  76  29.723   1.663  -5.360
  506    H    LYS  77           H        LYS  77  28.653   4.836  -1.923
  507    HA   LYS  77           HA       LYS  77  27.483   5.895  -0.207
  508   1HB   LYS  77          2HB       LYS  77  25.174   5.517  -1.955
  509   2HB   LYS  77          1HB       LYS  77  25.178   6.492  -0.509
  510   1HG   LYS  77          2HG       LYS  77  26.980   7.924  -1.485
  511   2HG   LYS  77          1HG       LYS  77  26.995   6.947  -2.933
  512   1HD   LYS  77          2HD       LYS  77  25.778   8.998  -3.386
  513   2HD   LYS  77          1HD       LYS  77  24.667   7.653  -3.449
  514   1HE   LYS  77          2HE       LYS  77  24.970   9.516  -1.055
  515   2HE   LYS  77          1HE       LYS  77  23.714   9.652  -2.272
  516   1HZ   LYS  77          1HZ       LYS  77  22.555   8.369  -0.924
  517   2HZ   LYS  77          2HZ       LYS  77  23.918   7.871  -0.043
  518   3HZ   LYS  77          3HZ       LYS  77  23.506   7.082  -1.492
  519    H    ALA  78           H        ALA  78  27.067   2.782  -1.124
  520    HA   ALA  78           HA       ALA  78  25.010   1.924   0.789
  521   1HB   ALA  78          1HB       ALA  78  25.442   0.674  -1.342
  522   2HB   ALA  78          2HB       ALA  78  25.690  -0.355   0.062
  523   3HB   ALA  78          3HB       ALA  78  27.072   0.323  -0.787
  524    H    CYS  79           H        CYS  79  25.472   1.065   2.872
  525    HA   CYS  79           HA       CYS  79  28.185   1.714   3.841
  526   1HB   CYS  79          2HB       CYS  79  25.895   1.979   5.181
  527   2HB   CYS  79          1HB       CYS  79  26.129   0.286   5.494
  528    H    LYS  80           H        LYS  80  29.627   0.157   4.580
  529    HA   LYS  80           HA       LYS  80  28.959  -2.724   4.326
  530   1HB   LYS  80          2HB       LYS  80  30.762  -3.220   3.040
  531   2HB   LYS  80          1HB       LYS  80  29.620  -2.261   2.099
  532   1HG   LYS  80          2HG       LYS  80  31.059  -0.197   2.622
  533   2HG   LYS  80          1HG       LYS  80  32.273  -1.266   3.287
  534   1HD   LYS  80          2HD       LYS  80  31.274  -1.351   0.419
  535   2HD   LYS  80          1HD       LYS  80  32.794  -0.655   0.941
  536   1HE   LYS  80          2HE       LYS  80  33.532  -2.896   1.766
  537   2HE   LYS  80          1HE       LYS  80  32.013  -3.592   1.214
  538   1HZ   LYS  80          1HZ       LYS  80  34.070  -2.292  -0.462
  539   2HZ   LYS  80          2HZ       LYS  80  32.555  -2.805  -1.027
  540   3HZ   LYS  80          3HZ       LYS  80  33.665  -3.942  -0.427
  541    H    ALA  81           H        ALA  81  30.533  -4.044   5.416
  542    HA   ALA  81           HA       ALA  81  31.650  -3.316   7.798
  543   1HB   ALA  81          1HB       ALA  81  33.193  -5.248   7.554
  544   2HB   ALA  81          2HB       ALA  81  32.850  -5.295   5.832
  545   3HB   ALA  81          3HB       ALA  81  31.576  -5.636   6.990
  546    H    VAL  82           H        VAL  82  32.970  -1.759   8.380
  547    HA   VAL  82           HA       VAL  82  34.587  -0.161   6.844
  548    HB   VAL  82           HB       VAL  82  34.009   0.281   9.208
  549   1HG1  VAL  82          1HG1      VAL  82  34.368  -2.027  10.127
  550   2HG1  VAL  82          2HG1      VAL  82  35.257  -0.830  11.049
  551   3HG1  VAL  82          3HG1      VAL  82  36.092  -1.851   9.892
  552   1HG2  VAL  82          1HG2      VAL  82  37.017   0.290   8.741
  553   2HG2  VAL  82          2HG2      VAL  82  36.168   1.237   9.949
  554   3HG2  VAL  82          3HG2      VAL  82  35.893   1.543   8.244
  Start of MODEL   16
    1    H    GLY   1           H        GLY   1 -24.024  -1.757  -0.042
    2   1HA   GLY   1          2HA       GLY   1 -26.722  -1.164  -0.108
    3   2HA   GLY   1          1HA       GLY   1 -26.580  -2.301   1.235
    4    H    THR   2           H        THR   2 -25.540  -1.685   3.076
    5    HA   THR   2           HA       THR   2 -25.689   0.906   4.011
    6    HB   THR   2           HB       THR   2 -23.755  -1.258   4.971
    7    HG1  THR   2           1HG      THR   2 -26.469  -0.582   5.488
    8   1HG2  THR   2          1HG2      THR   2 -24.017  -0.247   7.197
    9   2HG2  THR   2          2HG2      THR   2 -25.074   1.000   6.550
   10   3HG2  THR   2          3HG2      THR   2 -23.370   0.969   6.124
   11    H    ASN   3           H        ASN   3 -23.970   2.301   4.772
   12    HA   ASN   3           HA       ASN   3 -21.763   2.589   2.791
   13   1HB   ASN   3          2HB       ASN   3 -23.588   4.355   2.973
   14   2HB   ASN   3          1HB       ASN   3 -23.054   4.672   4.608
   15   1HD2  ASN   3          1HD2      ASN   3 -22.882   6.849   3.098
   16   2HD2  ASN   3          2HD2      ASN   3 -21.296   7.171   2.586
   17    H    GLU   4           H        GLU   4 -21.148   0.744   4.422
   18    HA   GLU   4           HA       GLU   4 -20.262   1.357   7.046
   19   1HB   GLU   4          2HB       GLU   4 -19.181  -0.780   6.989
   20   2HB   GLU   4          1HB       GLU   4 -20.679  -0.950   6.132
   21   1HG   GLU   4          2HG       GLU   4 -17.943  -0.671   4.826
   22   2HG   GLU   4          1HG       GLU   4 -18.804  -2.168   5.044
   23    H    CYS   5           H        CYS   5 -19.125   2.555   4.221
   24    HA   CYS   5           HA       CYS   5 -16.327   2.473   4.513
   25   1HB   CYS   5          2HB       CYS   5 -18.122   4.430   3.083
   26   2HB   CYS   5          1HB       CYS   5 -16.413   4.311   2.842
   27    H    LEU   6           H        LEU   6 -18.826   4.637   5.430
   28    HA   LEU   6           HA       LEU   6 -17.668   6.953   6.282
   29   1HB   LEU   6          2HB       LEU   6 -19.885   5.416   7.661
   30   2HB   LEU   6          1HB       LEU   6 -19.573   7.126   7.847
   31    HG   LEU   6           HG       LEU   6 -20.321   5.756   5.225
   32   1HD1  LEU   6          1HD1      LEU   6 -22.476   6.965   5.521
   33   2HD1  LEU   6          2HD1      LEU   6 -21.917   7.579   7.069
   34   3HD1  LEU   6          3HD1      LEU   6 -22.180   5.854   6.849
   35   1HD2  LEU   6          1HD2      LEU   6 -20.558   8.089   4.347
   36   2HD2  LEU   6          2HD2      LEU   6 -18.911   7.823   4.870
   37   3HD2  LEU   6          3HD2      LEU   6 -20.016   8.735   5.883
   38    H    ASP   7           H        ASP   7 -18.157   4.145   8.344
   39    HA   ASP   7           HA       ASP   7 -16.356   5.232  10.467
   40   1HB   ASP   7          2HB       ASP   7 -18.631   4.114  10.996
   41   2HB   ASP   7          1HB       ASP   7 -17.946   2.639  10.327
   42    H    ASN   8           H        ASN   8 -15.377   2.745  11.278
   43    HA   ASN   8           HA       ASN   8 -12.977   2.422   9.984
   44   1HB   ASN   8          2HB       ASN   8 -14.647   0.360  11.220
   45   2HB   ASN   8          1HB       ASN   8 -12.923   0.180  10.983
   46   1HD2  ASN   8          1HD2      ASN   8 -11.526   1.830  12.144
   47   2HD2  ASN   8          2HD2      ASN   8 -12.076   2.463  13.621
   48    H    ASN   9           H        ASN   9 -12.605   1.924   7.886
   49    HA   ASN   9           HA       ASN   9 -14.349   1.367   5.871
   50   1HB   ASN   9          2HB       ASN   9 -11.948   1.907   5.639
   51   2HB   ASN   9          1HB       ASN   9 -11.542   0.268   6.140
   52   1HD2  ASN   9          1HD2      ASN   9 -12.154  -1.503   4.707
   53   2HD2  ASN   9          2HD2      ASN   9 -12.394  -1.215   3.062
   54    H    GLY  10           H        GLY  10 -15.985  -0.048   6.581
   55   1HA   GLY  10          2HA       GLY  10 -17.108  -2.054   6.747
   56   2HA   GLY  10          1HA       GLY  10 -15.876  -2.681   5.667
   57    H    GLY  11           H        GLY  11 -14.545  -1.411   8.451
   58   1HA   GLY  11          2HA       GLY  11 -14.658  -2.722  10.688
   59   2HA   GLY  11          1HA       GLY  11 -14.088  -4.069   9.698
   60    H    CYS  12           H        CYS  12 -12.429  -2.490   7.987
   61    HA   CYS  12           HA       CYS  12 -10.106  -2.036   9.759
   62   1HB   CYS  12          2HB       CYS  12  -8.842  -2.440   7.787
   63   2HB   CYS  12          1HB       CYS  12 -10.080  -3.673   7.886
   64    H    SER  13           H        SER  13  -9.106  -0.642   7.153
   65    HA   SER  13           HA       SER  13 -10.449   1.898   7.031
   66   1HB   SER  13          2HB       SER  13  -8.529   3.221   8.017
   67   2HB   SER  13          1HB       SER  13  -9.241   2.131   9.215
   68    HG   SER  13           HG       SER  13  -7.022   1.534   7.542
   69    H    HIS  14           H        HIS  14  -9.720  -0.120   5.242
   70    HA   HIS  14           HA       HIS  14  -7.643   1.098   3.508
   71   1HB   HIS  14          2HB       HIS  14  -8.840  -1.704   3.654
   72   2HB   HIS  14          1HB       HIS  14  -7.608  -1.218   2.530
   73    HD1  HIS  14           1HD      HIS  14  -8.129  -1.766   6.058
   74    HD2  HIS  14           2HD      HIS  14  -4.970  -1.060   3.605
   75    HE1  HIS  14           1HE      HIS  14  -6.088  -2.152   7.437
   76    H    VAL  15           H        VAL  15  -9.475  -1.020   1.768
   77    HA   VAL  15           HA       VAL  15 -11.202   1.124   0.637
   78    HB   VAL  15           HB       VAL  15  -9.427   0.196  -0.773
   79   1HG1  VAL  15          1HG1      VAL  15 -10.814  -2.484  -0.556
   80   2HG1  VAL  15          2HG1      VAL  15  -9.230  -2.035   0.051
   81   3HG1  VAL  15          3HG1      VAL  15  -9.534  -2.094  -1.675
   82   1HG2  VAL  15          1HG2      VAL  15 -12.261  -0.604  -1.675
   83   2HG2  VAL  15          2HG2      VAL  15 -10.915  -0.367  -2.774
   84   3HG2  VAL  15          3HG2      VAL  15 -11.559   0.992  -1.867
   85    H    CYS  16           H        CYS  16 -13.235   0.961   1.127
   86    HA   CYS  16           HA       CYS  16 -14.420  -1.425   2.286
   87   1HB   CYS  16          2HB       CYS  16 -16.402   0.044   2.421
   88   2HB   CYS  16          1HB       CYS  16 -15.001   0.791   3.117
   89    H    ASN  17           H        ASN  17 -14.545  -3.077   0.758
   90    HA   ASN  17           HA       ASN  17 -15.655  -2.403  -1.915
   91   1HB   ASN  17          2HB       ASN  17 -13.662  -3.693  -1.893
   92   2HB   ASN  17          1HB       ASN  17 -14.238  -4.809  -0.697
   93   1HD2  ASN  17          1HD2      ASN  17 -15.612  -6.523  -1.458
   94   2HD2  ASN  17          2HD2      ASN  17 -15.960  -6.775  -3.096
   95    H    ASP  18           H        ASP  18 -17.413  -1.834  -1.134
   96    HA   ASP  18           HA       ASP  18 -19.293  -2.890   0.599
   97   1HB   ASP  18          2HB       ASP  18 -19.427  -0.638  -0.369
   98   2HB   ASP  18          1HB       ASP  18 -19.820  -1.307  -1.942
   99    H    LEU  19           H        LEU  19 -19.425  -5.049   0.456
  100    HA   LEU  19           HA       LEU  19 -20.258  -6.561  -1.793
  101   1HB   LEU  19          2HB       LEU  19 -18.988  -7.200   0.436
  102   2HB   LEU  19          1HB       LEU  19 -20.572  -7.196   1.149
  103    HG   LEU  19           HG       LEU  19 -21.352  -8.976  -0.374
  104   1HD1  LEU  19          1HD1      LEU  19 -19.633 -10.097  -1.775
  105   2HD1  LEU  19          2HD1      LEU  19 -18.438  -8.918  -1.237
  106   3HD1  LEU  19          3HD1      LEU  19 -19.775  -8.416  -2.253
  107   1HD2  LEU  19          1HD2      LEU  19 -18.788  -9.561   1.150
  108   2HD2  LEU  19          2HD2      LEU  19 -20.016 -10.748   0.719
  109   3HD2  LEU  19          3HD2      LEU  19 -20.395  -9.457   1.839
  110    H    LYS  20           H        LYS  20 -22.367  -7.938  -1.515
  111    HA   LYS  20           HA       LYS  20 -24.587  -6.064  -1.347
  112   1HB   LYS  20          2HB       LYS  20 -25.943  -8.043  -1.990
  113   2HB   LYS  20          1HB       LYS  20 -24.527  -7.905  -3.011
  114   1HG   LYS  20          2HG       LYS  20 -23.371  -9.659  -1.639
  115   2HG   LYS  20          1HG       LYS  20 -24.820  -9.825  -0.657
  116   1HD   LYS  20          2HD       LYS  20 -26.135 -10.457  -2.660
  117   2HD   LYS  20          1HD       LYS  20 -24.695 -10.314  -3.653
  118   1HE   LYS  20          2HE       LYS  20 -23.587 -12.098  -2.312
  119   2HE   LYS  20          1HE       LYS  20 -25.031 -12.242  -1.315
  120   1HZ   LYS  20          1HZ       LYS  20 -24.680 -12.924  -4.158
  121   2HZ   LYS  20          2HZ       LYS  20 -26.224 -12.651  -3.505
  122   3HZ   LYS  20          3HZ       LYS  20 -25.250 -13.896  -2.886
  123    H    ILE  21           H        ILE  21 -23.360  -8.815   0.504
  124    HA   ILE  21           HA       ILE  21 -24.601  -7.844   2.982
  125    HB   ILE  21           HB       ILE  21 -24.907 -10.645   1.811
  126   1HG1  ILE  21          2HG1      ILE  21 -27.038  -8.535   2.425
  127   2HG1  ILE  21          1HG1      ILE  21 -26.515  -9.013   0.824
  128   1HG2  ILE  21          1HG2      ILE  21 -25.799  -9.524   4.496
  129   2HG2  ILE  21          2HG2      ILE  21 -24.511 -10.695   4.248
  130   3HG2  ILE  21          3HG2      ILE  21 -26.168 -11.145   3.913
  131   1HD1  ILE  21          1HD1      ILE  21 -27.339 -11.309   1.195
  132   2HD1  ILE  21          2HD1      ILE  21 -28.620 -10.123   1.383
  133   3HD1  ILE  21          3HD1      ILE  21 -27.903 -10.862   2.798
  134    H    GLY  22           H        GLY  22 -22.734  -7.555   4.146
  135   1HA   GLY  22          2HA       GLY  22 -21.041  -8.400   5.549
  136   2HA   GLY  22          1HA       GLY  22 -20.919  -9.781   4.490
  137    H    TYR  23           H        TYR  23 -20.769  -6.386   4.018
  138    HA   TYR  23           HA       TYR  23 -19.092  -5.826   1.988
  139   1HB   TYR  23          2HB       TYR  23 -18.708  -4.352   4.574
  140   2HB   TYR  23          1HB       TYR  23 -18.617  -3.721   2.940
  141    HD1  TYR  23           1HD      TYR  23 -20.764  -4.235   5.695
  142    HD2  TYR  23           2HD      TYR  23 -20.810  -3.942   1.462
  143    HE1  TYR  23           1HE      TYR  23 -23.177  -3.784   5.752
  144    HE2  TYR  23           2HE      TYR  23 -23.216  -3.490   1.515
  145    HH   TYR  23           HH       TYR  23 -24.910  -2.869   4.453
  146    H    GLU  24           H        GLU  24 -16.943  -5.330   1.617
  147    HA   GLU  24           HA       GLU  24 -15.039  -6.879   3.257
  148   1HB   GLU  24          2HB       GLU  24 -15.063  -6.215   0.339
  149   2HB   GLU  24          1HB       GLU  24 -13.794  -7.097   1.143
  150   1HG   GLU  24          2HG       GLU  24 -15.593  -8.710   1.908
  151   2HG   GLU  24          1HG       GLU  24 -16.714  -7.787   0.904
  152    H    CYS  25           H        CYS  25 -12.869  -6.453   2.950
  153    HA   CYS  25           HA       CYS  25 -12.005  -3.697   2.896
  154   1HB   CYS  25          2HB       CYS  25 -12.169  -4.338   5.309
  155   2HB   CYS  25          1HB       CYS  25 -11.246  -5.796   4.985
  156    H    LEU  26           H        LEU  26 -11.226  -4.162   0.829
  157    HA   LEU  26           HA       LEU  26  -9.262  -6.343   0.476
  158   1HB   LEU  26          2HB       LEU  26 -10.303  -4.301  -1.521
  159   2HB   LEU  26          1HB       LEU  26  -9.520  -5.816  -1.857
  160    HG   LEU  26           HG       LEU  26 -12.258  -5.481  -0.586
  161   1HD1  LEU  26          1HD1      LEU  26 -13.108  -6.540  -2.665
  162   2HD1  LEU  26          2HD1      LEU  26 -11.490  -6.543  -3.333
  163   3HD1  LEU  26          3HD1      LEU  26 -12.294  -5.021  -2.997
  164   1HD2  LEU  26          1HD2      LEU  26 -10.854  -8.075  -1.275
  165   2HD2  LEU  26          2HD2      LEU  26 -12.518  -7.910  -0.732
  166   3HD2  LEU  26          3HD2      LEU  26 -11.204  -7.484   0.346
  167    H    CYS  27           H        CYS  27  -7.715  -5.123  -1.416
  168    HA   CYS  27           HA       CYS  27  -5.931  -3.505   0.221
  169   1HB   CYS  27          2HB       CYS  27  -5.670  -4.831  -2.440
  170   2HB   CYS  27          1HB       CYS  27  -4.455  -3.743  -1.844
  171    HA   PRO  28           HA       PRO  28  -7.090   0.243  -1.903
  172   1HB   PRO  28          2HB       PRO  28  -5.248   1.904  -0.700
  173   2HB   PRO  28          1HB       PRO  28  -6.713   1.378   0.066
  174   1HG   PRO  28          2HG       PRO  28  -3.968   0.555   0.611
  175   2HG   PRO  28          1HG       PRO  28  -5.404   0.436   1.628
  176   1HD   PRO  28          2HD       PRO  28  -4.145  -1.637   0.117
  177   2HD   PRO  28          1HD       PRO  28  -5.615  -1.719   1.109
  178    H    ASP  29           H        ASP  29  -3.624   0.292  -1.335
  179    HA   ASP  29           HA       ASP  29  -3.064   1.119  -4.089
  180   1HB   ASP  29          2HB       ASP  29  -0.841   1.552  -3.223
  181   2HB   ASP  29          1HB       ASP  29  -1.994   2.179  -2.074
  182    H    GLY  30           H        GLY  30  -0.516   0.024  -4.342
  183   1HA   GLY  30          2HA       GLY  30  -0.968  -2.361  -5.703
  184   2HA   GLY  30          1HA       GLY  30   0.602  -1.718  -5.296
  185    H    PHE  31           H        PHE  31  -0.417  -2.037  -2.317
  186    HA   PHE  31           HA       PHE  31   1.045  -4.391  -1.707
  187   1HB   PHE  31          2HB       PHE  31  -1.064  -2.823  -0.188
  188   2HB   PHE  31          1HB       PHE  31  -0.159  -4.128   0.529
  189    HD1  PHE  31           1HD      PHE  31   1.974  -2.470  -1.859
  190    HD2  PHE  31           2HD      PHE  31   0.409  -2.075   2.100
  191    HE1  PHE  31           1HE      PHE  31   3.811  -1.030  -1.285
  192    HE2  PHE  31           2HE      PHE  31   2.289  -0.614   2.665
  193    HZ   PHE  31           HZ       PHE  31   3.999  -0.096   0.979
  194    H    GLN  32           H        GLN  32   0.070  -6.185  -0.327
  195    HA   GLN  32           HA       GLN  32  -2.238  -7.409  -1.834
  196   1HB   GLN  32          2HB       GLN  32   0.069  -8.389  -2.224
  197   2HB   GLN  32          1HB       GLN  32   0.130  -8.798  -0.521
  198   1HG   GLN  32          2HG       GLN  32  -1.929  -9.891  -2.477
  199   2HG   GLN  32          1HG       GLN  32  -0.471 -10.735  -2.001
  200   1HE2  GLN  32          1HE2      GLN  32  -3.692 -10.719  -1.405
  201   2HE2  GLN  32          2HE2      GLN  32  -3.694 -11.276   0.199
  202    H    LEU  33           H        LEU  33  -3.678  -8.626  -0.593
  203    HA   LEU  33           HA       LEU  33  -4.098  -7.611   2.127
  204   1HB   LEU  33          2HB       LEU  33  -5.932  -8.164   0.348
  205   2HB   LEU  33          1HB       LEU  33  -5.668  -9.845   0.751
  206    HG   LEU  33           HG       LEU  33  -6.074  -9.133   3.229
  207   1HD1  LEU  33          1HD1      LEU  33  -5.795  -6.678   2.877
  208   2HD1  LEU  33          2HD1      LEU  33  -7.393  -7.035   3.500
  209   3HD1  LEU  33          3HD1      LEU  33  -7.177  -6.676   1.802
  210   1HD2  LEU  33          1HD2      LEU  33  -8.518  -9.206   3.021
  211   2HD2  LEU  33          2HD2      LEU  33  -7.771 -10.396   1.969
  212   3HD2  LEU  33          3HD2      LEU  33  -8.404  -8.897   1.295
  213    H    VAL  34           H        VAL  34  -1.963  -8.502   2.758
  214    HA   VAL  34           HA       VAL  34  -1.732 -11.390   3.137
  215    HB   VAL  34           HB       VAL  34   0.198 -10.102   2.403
  216   1HG1  VAL  34          1HG1      VAL  34   0.016  -8.679   5.072
  217   2HG1  VAL  34          2HG1      VAL  34  -0.315  -7.969   3.498
  218   3HG1  VAL  34          3HG1      VAL  34   1.310  -8.509   3.895
  219   1HG2  VAL  34          1HG2      VAL  34   0.632 -12.138   3.733
  220   2HG2  VAL  34          2HG2      VAL  34   0.584 -11.202   5.219
  221   3HG2  VAL  34          3HG2      VAL  34   1.859 -10.921   4.046
  222    H    ALA  35           H        ALA  35  -2.062  -8.572   5.234
  223    HA   ALA  35           HA       ALA  35  -2.019 -10.159   7.609
  224   1HB   ALA  35          1HB       ALA  35  -2.369  -7.946   8.741
  225   2HB   ALA  35          2HB       ALA  35  -2.551  -7.209   7.160
  226   3HB   ALA  35          3HB       ALA  35  -1.032  -7.945   7.604
  227    H    GLN  36           H        GLN  36  -3.998 -11.114   6.083
  228    HA   GLN  36           HA       GLN  36  -6.115 -11.950   6.145
  229   1HB   GLN  36          2HB       GLN  36  -6.378 -10.482   8.825
  230   2HB   GLN  36          1HB       GLN  36  -7.424 -11.753   8.243
  231   1HG   GLN  36          2HG       GLN  36  -4.443 -12.072   8.822
  232   2HG   GLN  36          1HG       GLN  36  -5.754 -12.670   9.819
  233   1HE2  GLN  36          1HE2      GLN  36  -3.935 -13.221   6.878
  234   2HE2  GLN  36          2HE2      GLN  36  -4.632 -14.723   6.500
  235    H    ARG  37           H        ARG  37  -6.683  -8.780   7.655
  236    HA   ARG  37           HA       ARG  37  -8.619  -8.153   5.448
  237   1HB   ARG  37          2HB       ARG  37  -8.714  -7.266   8.362
  238   2HB   ARG  37          1HB       ARG  37  -9.907  -6.858   7.150
  239   1HG   ARG  37          2HG       ARG  37  -9.257  -9.620   8.274
  240   2HG   ARG  37          1HG       ARG  37 -10.688  -8.675   8.616
  241   1HD   ARG  37          2HD       ARG  37  -9.926  -9.767   5.892
  242   2HD   ARG  37          1HD       ARG  37 -11.169 -10.414   6.963
  243    HE   ARG  37           HE       ARG  37 -11.919  -7.781   6.651
  244   1HH1  ARG  37          2HH1      ARG  37 -11.149 -10.376   4.481
  245   2HH1  ARG  37          1HH1      ARG  37 -12.215  -9.807   3.242
  246   1HH2  ARG  37          1HH2      ARG  37 -13.275  -7.045   5.092
  247   2HH2  ARG  37          2HH2      ARG  37 -13.434  -7.898   3.593
  248    H    ARG  38           H        ARG  38  -5.858  -7.307   7.184
  249    HA   ARG  38           HA       ARG  38  -5.849  -4.480   6.274
  250   1HB   ARG  38          2HB       ARG  38  -5.164  -4.935   8.594
  251   2HB   ARG  38          1HB       ARG  38  -3.965  -6.090   8.076
  252   1HG   ARG  38          2HG       ARG  38  -2.776  -4.204   6.841
  253   2HG   ARG  38          1HG       ARG  38  -3.971  -3.087   7.470
  254   1HD   ARG  38          2HD       ARG  38  -2.099  -4.783   9.172
  255   2HD   ARG  38          1HD       ARG  38  -1.922  -3.058   8.859
  256    HE   ARG  38           HE       ARG  38  -4.522  -3.469   9.910
  257   1HH1  ARG  38          2HH1      ARG  38  -1.200  -3.741  10.845
  258   2HH1  ARG  38          1HH1      ARG  38  -1.521  -3.427  12.517
  259   1HH2  ARG  38          1HH2      ARG  38  -4.960  -3.070  12.026
  260   2HH2  ARG  38          2HH2      ARG  38  -3.685  -3.042  13.197
  261    H    CYS  39           H        CYS  39  -4.730  -3.924   4.477
  262    HA   CYS  39           HA       CYS  39  -3.274  -6.078   3.052
  263   1HB   CYS  39          2HB       CYS  39  -5.009  -4.769   1.868
  264   2HB   CYS  39          1HB       CYS  39  -4.060  -3.324   2.101
  265    H    GLU  40           H        GLU  40  -1.194  -6.169   2.849
  266    HA   GLU  40           HA       GLU  40   0.504  -3.770   3.121
  267   1HB   GLU  40          2HB       GLU  40   0.230  -4.736   5.406
  268   2HB   GLU  40          1HB       GLU  40   0.850  -6.268   4.829
  269   1HG   GLU  40          2HG       GLU  40   3.020  -5.177   4.257
  270   2HG   GLU  40          1HG       GLU  40   2.391  -3.635   4.807
  271    H    ASP  41           H        ASP  41   2.695  -4.175   2.475
  272    HA   ASP  41           HA       ASP  41   2.983  -6.260   0.394
  273   1HB   ASP  41          2HB       ASP  41   2.917  -4.087  -0.349
  274   2HB   ASP  41          1HB       ASP  41   4.153  -3.495   0.741
  275    H    ILE  42           H        ILE  42   5.200  -6.797  -0.071
  276    HA   ILE  42           HA       ILE  42   6.427  -7.917   2.234
  277    HB   ILE  42           HB       ILE  42   6.522  -9.063   0.023
  278   1HG1  ILE  42          2HG1      ILE  42   9.302  -8.239   1.009
  279   2HG1  ILE  42          1HG1      ILE  42   8.323  -9.513   1.705
  280   1HG2  ILE  42          1HG2      ILE  42   7.944  -8.160  -1.823
  281   2HG2  ILE  42          2HG2      ILE  42   8.309  -6.738  -0.870
  282   3HG2  ILE  42          3HG2      ILE  42   6.674  -7.035  -1.426
  283   1HD1  ILE  42          1HD1      ILE  42   9.410  -9.491  -1.148
  284   2HD1  ILE  42          2HD1      ILE  42   8.420 -10.761  -0.445
  285   3HD1  ILE  42          3HD1      ILE  42  10.029 -10.443   0.183
  286    H    ASP  43           H        ASP  43   8.295  -7.233   3.316
  287    HA   ASP  43           HA       ASP  43   9.189  -4.440   2.771
  288   1HB   ASP  43          2HB       ASP  43   8.464  -5.158   5.100
  289   2HB   ASP  43          1HB       ASP  43   9.807  -6.281   5.139
  290    H    GLU  44           H        GLU  44  10.712  -4.475   1.265
  291    HA   GLU  44           HA       GLU  44  12.517  -6.740   0.970
  292   1HB   GLU  44          2HB       GLU  44  13.423  -5.339  -0.941
  293   2HB   GLU  44          1HB       GLU  44  11.752  -5.808  -1.057
  294   1HG   GLU  44          2HG       GLU  44  12.636  -3.098  -0.047
  295   2HG   GLU  44          1HG       GLU  44  12.319  -3.440  -1.737
  296    H    CYS  45           H        CYS  45  12.683  -3.988   2.997
  297    HA   CYS  45           HA       CYS  45  15.459  -3.481   2.730
  298   1HB   CYS  45          2HB       CYS  45  13.523  -2.895   4.975
  299   2HB   CYS  45          1HB       CYS  45  15.188  -2.528   5.084
  300    H    GLN  46           H        GLN  46  13.630  -4.841   5.346
  301    HA   GLN  46           HA       GLN  46  15.389  -5.907   7.076
  302   1HB   GLN  46          2HB       GLN  46  12.841  -7.206   6.054
  303   2HB   GLN  46          1HB       GLN  46  13.640  -7.644   7.541
  304   1HG   GLN  46          2HG       GLN  46  12.493  -4.878   6.897
  305   2HG   GLN  46          1HG       GLN  46  11.759  -6.058   7.965
  306   1HE2  GLN  46          1HE2      GLN  46  13.091  -6.670   9.938
  307   2HE2  GLN  46          2HE2      GLN  46  14.109  -5.489  10.613
  308    H    ASP  47           H        ASP  47  14.442  -7.515   4.107
  309    HA   ASP  47           HA       ASP  47  16.030  -9.825   4.609
  310   1HB   ASP  47          2HB       ASP  47  14.006 -10.006   3.245
  311   2HB   ASP  47          1HB       ASP  47  14.660  -8.874   2.072
  312    HA   PRO  48           HA       PRO  48  19.871  -7.994   3.162
  313   1HB   PRO  48          2HB       PRO  48  20.739 -10.780   2.493
  314   2HB   PRO  48          1HB       PRO  48  21.446  -9.635   3.603
  315   1HG   PRO  48          2HG       PRO  48  20.095 -11.772   4.464
  316   2HG   PRO  48          1HG       PRO  48  20.087 -10.233   5.341
  317   1HD   PRO  48          2HD       PRO  48  17.974 -11.427   3.593
  318   2HD   PRO  48          1HD       PRO  48  17.841 -10.498   5.102
  319    H    ASP  49           H        ASP  49  18.871  -7.017   1.425
  320    HA   ASP  49           HA       ASP  49  19.621  -8.079  -1.214
  321   1HB   ASP  49          2HB       ASP  49  17.298  -8.850  -0.876
  322   2HB   ASP  49          1HB       ASP  49  16.825  -7.227  -0.399
  323    H    THR  50           H        THR  50  18.601  -5.515   0.887
  324    HA   THR  50           HA       THR  50  18.994  -3.385  -1.072
  325    HB   THR  50           HB       THR  50  18.456  -3.321   1.971
  326    HG1  THR  50           1HG      THR  50  16.857  -4.347   0.785
  327   1HG2  THR  50          1HG2      THR  50  17.631  -1.026   1.469
  328   2HG2  THR  50          2HG2      THR  50  17.981  -1.229  -0.235
  329   3HG2  THR  50          3HG2      THR  50  19.285  -1.141   0.937
  330    H    CYS  51           H        CYS  51  20.281  -2.587   1.969
  331    HA   CYS  51           HA       CYS  51  23.064  -2.747   0.926
  332   1HB   CYS  51          2HB       CYS  51  21.579  -0.774   2.653
  333   2HB   CYS  51          1HB       CYS  51  23.314  -0.806   2.614
  334    H    SER  52           H        SER  52  24.716  -2.690   2.879
  335    HA   SER  52           HA       SER  52  24.600  -5.162   4.167
  336   1HB   SER  52          2HB       SER  52  26.709  -3.852   3.878
  337   2HB   SER  52          1HB       SER  52  26.140  -2.714   5.115
  338    HG   SER  52           HG       SER  52  27.398  -4.336   6.046
  339    H    GLN  53           H        GLN  53  23.758  -2.036   5.568
  340    HA   GLN  53           HA       GLN  53  22.486  -3.523   7.837
  341   1HB   GLN  53          2HB       GLN  53  23.958  -0.872   7.925
  342   2HB   GLN  53          1HB       GLN  53  23.107  -1.595   9.280
  343   1HG   GLN  53          2HG       GLN  53  25.422  -2.877   7.780
  344   2HG   GLN  53          1HG       GLN  53  25.568  -2.084   9.341
  345   1HE2  GLN  53          1HE2      GLN  53  23.586  -3.030  10.887
  346   2HE2  GLN  53          2HE2      GLN  53  23.590  -4.726  10.972
  347    H    LEU  54           H        LEU  54  22.178  -0.062   7.807
  348    HA   LEU  54           HA       LEU  54  19.378  -0.296   7.951
  349   1HB   LEU  54          2HB       LEU  54  21.028   2.127   7.347
  350   2HB   LEU  54          1HB       LEU  54  19.323   2.106   7.766
  351    HG   LEU  54           HG       LEU  54  21.639   1.456   9.570
  352   1HD1  LEU  54          1HD1      LEU  54  19.355   3.475   9.527
  353   2HD1  LEU  54          2HD1      LEU  54  21.003   3.845   9.075
  354   3HD1  LEU  54          3HD1      LEU  54  20.622   3.419  10.745
  355   1HD2  LEU  54          1HD2      LEU  54  18.646   1.279  10.077
  356   2HD2  LEU  54          2HD2      LEU  54  19.920   1.050  11.276
  357   3HD2  LEU  54          3HD2      LEU  54  19.723  -0.115   9.972
  358    H    CYS  55           H        CYS  55  17.906   0.723   7.030
  359    HA   CYS  55           HA       CYS  55  17.821   1.573   4.253
  360   1HB   CYS  55          2HB       CYS  55  17.910  -0.881   4.001
  361   2HB   CYS  55          1HB       CYS  55  16.621  -1.090   5.113
  362    H    VAL  56           H        VAL  56  15.287   1.622   3.716
  363    HA   VAL  56           HA       VAL  56  13.586   2.244   6.013
  364    HB   VAL  56           HB       VAL  56  14.855   4.369   5.769
  365   1HG1  VAL  56          1HG1      VAL  56  15.592   4.207   3.420
  366   2HG1  VAL  56          2HG1      VAL  56  14.800   5.737   3.728
  367   3HG1  VAL  56          3HG1      VAL  56  13.952   4.483   2.856
  368   1HG2  VAL  56          1HG2      VAL  56  12.036   4.614   4.651
  369   2HG2  VAL  56          2HG2      VAL  56  12.962   5.926   5.361
  370   3HG2  VAL  56          3HG2      VAL  56  12.479   4.558   6.349
  371    H    ASN  57           H        ASN  57  12.081   0.944   5.419
  372    HA   ASN  57           HA       ASN  57  11.304   0.495   2.634
  373   1HB   ASN  57          2HB       ASN  57  11.438  -1.388   4.298
  374   2HB   ASN  57          1HB       ASN  57  10.143  -0.625   5.207
  375   1HD2  ASN  57          1HD2      ASN  57   8.471  -2.122   4.915
  376   2HD2  ASN  57          2HD2      ASN  57   7.856  -2.569   3.397
  377    H    LEU  58           H        LEU  58   9.194   0.514   1.991
  378    HA   LEU  58           HA       LEU  58   6.971   1.949   3.119
  379   1HB   LEU  58          2HB       LEU  58   6.980   3.960   1.699
  380   2HB   LEU  58          1HB       LEU  58   8.388   3.949   2.703
  381    HG   LEU  58           HG       LEU  58   8.533   3.011  -0.198
  382   1HD1  LEU  58          1HD1      LEU  58   7.772   5.406  -0.072
  383   2HD1  LEU  58          2HD1      LEU  58   9.412   5.280  -0.684
  384   3HD1  LEU  58          3HD1      LEU  58   9.130   5.774   0.979
  385   1HD2  LEU  58          1HD2      LEU  58  10.935   3.551   0.160
  386   2HD2  LEU  58          2HD2      LEU  58  10.426   2.351   1.315
  387   3HD2  LEU  58          3HD2      LEU  58  10.600   4.029   1.805
  388    H    GLU  59           H        GLU  59   6.165   2.885   0.568
  389    HA   GLU  59           HA       GLU  59   5.033   0.436  -0.471
  390   1HB   GLU  59          2HB       GLU  59   3.800   2.684  -0.394
  391   2HB   GLU  59          1HB       GLU  59   4.893   3.272  -1.633
  392   1HG   GLU  59          2HG       GLU  59   4.045   1.512  -3.213
  393   2HG   GLU  59          1HG       GLU  59   2.997   0.898  -1.949
  394    H    GLY  60           H        GLY  60   6.729  -0.635  -0.753
  395   1HA   GLY  60          2HA       GLY  60   8.213  -1.811  -1.939
  396   2HA   GLY  60          1HA       GLY  60   7.329  -1.245  -3.346
  397    H    GLY  61           H        GLY  61   8.282   1.479  -1.966
  398   1HA   GLY  61          2HA       GLY  61  10.553   1.893  -3.787
  399   2HA   GLY  61          1HA       GLY  61   9.729   3.125  -2.850
  400    H    TYR  62           H        TYR  62  10.912   0.398  -1.204
  401    HA   TYR  62           HA       TYR  62  12.323   1.523   0.815
  402   1HB   TYR  62          2HB       TYR  62  13.701  -0.426   1.056
  403   2HB   TYR  62          1HB       TYR  62  12.150  -0.960   0.460
  404    HD1  TYR  62           1HD      TYR  62  15.502  -1.454   0.103
  405    HD2  TYR  62           2HD      TYR  62  12.126  -0.769  -2.395
  406    HE1  TYR  62           1HE      TYR  62  16.698  -2.448  -1.784
  407    HE2  TYR  62           2HE      TYR  62  13.322  -1.758  -4.276
  408    HH   TYR  62           HH       TYR  62  16.190  -2.030  -4.708
  409    H    LYS  63           H        LYS  63  14.195   2.597   1.282
  410    HA   LYS  63           HA       LYS  63  16.228   2.878  -0.857
  411   1HB   LYS  63          2HB       LYS  63  15.337   4.941   1.166
  412   2HB   LYS  63          1HB       LYS  63  16.558   5.112  -0.028
  413   1HG   LYS  63          2HG       LYS  63  13.614   4.696  -0.673
  414   2HG   LYS  63          1HG       LYS  63  14.434   6.240  -0.720
  415   1HD   LYS  63          2HD       LYS  63  15.981   5.377  -2.488
  416   2HD   LYS  63          1HD       LYS  63  15.143   3.838  -2.473
  417   1HE   LYS  63          2HE       LYS  63  14.323   5.243  -4.326
  418   2HE   LYS  63          1HE       LYS  63  13.033   4.965  -3.171
  419   1HZ   LYS  63          1HZ       LYS  63  13.130   7.097  -2.401
  420   2HZ   LYS  63          2HZ       LYS  63  13.485   7.321  -4.047
  421   3HZ   LYS  63          3HZ       LYS  63  14.736   7.338  -2.899
  422    H    CYS  64           H        CYS  64  18.312   3.335   0.007
  423    HA   CYS  64           HA       CYS  64  18.881   1.781   2.429
  424   1HB   CYS  64          2HB       CYS  64  20.642   3.014   0.350
  425   2HB   CYS  64          1HB       CYS  64  21.255   2.226   1.749
  426    H    GLN  65           H        GLN  65  20.450   2.403   3.819
  427    HA   GLN  65           HA       GLN  65  21.169   5.185   4.429
  428   1HB   GLN  65          2HB       GLN  65  19.815   3.581   6.607
  429   2HB   GLN  65          1HB       GLN  65  20.222   5.251   6.614
  430   1HG   GLN  65          2HG       GLN  65  18.510   5.827   4.955
  431   2HG   GLN  65          1HG       GLN  65  17.998   4.145   4.867
  432   1HE2  GLN  65          1HE2      GLN  65  17.870   3.312   7.470
  433   2HE2  GLN  65          2HE2      GLN  65  16.788   4.273   8.357
  434    H    CYS  66           H        CYS  66  22.407   4.688   6.824
  435    HA   CYS  66           HA       CYS  66  23.884   2.152   6.499
  436   1HB   CYS  66          2HB       CYS  66  25.145   4.822   6.951
  437   2HB   CYS  66          1HB       CYS  66  25.868   3.315   6.802
  438    H    GLU  67           H        GLU  67  25.156   1.537   8.250
  439    HA   GLU  67           HA       GLU  67  23.905   2.127  10.859
  440   1HB   GLU  67          2HB       GLU  67  24.470  -0.211  10.066
  441   2HB   GLU  67          1HB       GLU  67  26.166   0.180  10.163
  442   1HG   GLU  67          2HG       GLU  67  24.190   0.152  12.492
  443   2HG   GLU  67          1HG       GLU  67  25.373  -1.089  12.162
  444    H    GLU  68           H        GLU  68  24.605   4.275  10.931
  445    HA   GLU  68           HA       GLU  68  25.950   6.077  11.442
  446   1HB   GLU  68          2HB       GLU  68  27.113   3.943  13.265
  447   2HB   GLU  68          1HB       GLU  68  27.367   5.660  13.469
  448   1HG   GLU  68          2HG       GLU  68  24.892   5.985  13.700
  449   2HG   GLU  68          1HG       GLU  68  24.644   4.262  13.467
  450    H    GLY  69           H        GLY  69  28.478   3.722  11.915
  451   1HA   GLY  69          2HA       GLY  69  30.543   5.314  10.858
  452   2HA   GLY  69          1HA       GLY  69  30.685   3.622  11.282
  453    H    PHE  70           H        PHE  70  28.374   3.103   9.268
  454    HA   PHE  70           HA       PHE  70  30.127   2.504   7.133
  455   1HB   PHE  70          2HB       PHE  70  27.183   2.254   7.546
  456   2HB   PHE  70          1HB       PHE  70  27.899   1.764   6.022
  457    HD1  PHE  70           1HD      PHE  70  29.607   1.154   9.285
  458    HD2  PHE  70           2HD      PHE  70  27.089  -0.503   6.272
  459    HE1  PHE  70           1HE      PHE  70  29.919  -1.061  10.252
  460    HE2  PHE  70           2HE      PHE  70  27.419  -2.723   7.247
  461    HZ   PHE  70           HZ       PHE  70  28.830  -3.015   9.231
  462    H    GLN  71           H        GLN  71  29.848   3.175   4.931
  463    HA   GLN  71           HA       GLN  71  28.552   5.758   4.489
  464   1HB   GLN  71          2HB       GLN  71  31.417   4.966   4.172
  465   2HB   GLN  71          1HB       GLN  71  30.782   6.065   3.003
  466   1HG   GLN  71          2HG       GLN  71  30.658   6.488   6.036
  467   2HG   GLN  71          1HG       GLN  71  31.809   7.280   4.961
  468   1HE2  GLN  71          1HE2      GLN  71  30.005   8.852   6.436
  469   2HE2  GLN  71          2HE2      GLN  71  28.868   9.554   5.389
  470    H    LEU  72           H        LEU  72  28.787   6.406   2.240
  471    HA   LEU  72           HA       LEU  72  27.445   4.322   0.657
  472   1HB   LEU  72          2HB       LEU  72  26.705   6.698   0.543
  473   2HB   LEU  72          1HB       LEU  72  28.249   7.143  -0.155
  474    HG   LEU  72           HG       LEU  72  27.799   5.524  -2.055
  475   1HD1  LEU  72          1HD1      LEU  72  26.201   3.994  -0.939
  476   2HD1  LEU  72          2HD1      LEU  72  25.502   4.671  -2.392
  477   3HD1  LEU  72          3HD1      LEU  72  25.027   5.295  -0.822
  478   1HD2  LEU  72          1HD2      LEU  72  25.666   7.661  -1.614
  479   2HD2  LEU  72          2HD2      LEU  72  26.094   6.962  -3.172
  480   3HD2  LEU  72          3HD2      LEU  72  27.264   7.938  -2.296
  481    H    ASP  73           H        ASP  73  28.751   2.802   0.022
  482    HA   ASP  73           HA       ASP  73  31.472   3.259  -0.951
  483   1HB   ASP  73          2HB       ASP  73  30.769   1.208   0.322
  484   2HB   ASP  73          1HB       ASP  73  29.775   0.703  -1.030
  485    HA   PRO  74           HA       PRO  74  29.868   3.964  -5.102
  486   1HB   PRO  74          2HB       PRO  74  32.162   4.363  -6.413
  487   2HB   PRO  74          1HB       PRO  74  31.635   5.496  -5.191
  488   1HG   PRO  74          2HG       PRO  74  33.615   3.270  -4.906
  489   2HG   PRO  74          1HG       PRO  74  33.732   4.961  -4.384
  490   1HD   PRO  74          2HD       PRO  74  33.024   2.933  -2.703
  491   2HD   PRO  74          1HD       PRO  74  32.478   4.608  -2.494
  492    H    HIS  75           H        HIS  75  30.036   3.058  -7.231
  493    HA   HIS  75           HA       HIS  75  29.959   1.279  -8.746
  494   1HB   HIS  75          2HB       HIS  75  32.310   0.204  -7.110
  495   2HB   HIS  75          1HB       HIS  75  31.845  -0.318  -8.720
  496    HD1  HIS  75           1HD      HIS  75  33.160   2.718  -7.001
  497    HD2  HIS  75           2HD      HIS  75  32.753   1.301 -10.807
  498    HE1  HIS  75           1HE      HIS  75  34.392   4.283  -8.459
  499    H    THR  76           H        THR  76  29.127   1.026  -5.701
  500    HA   THR  76           HA       THR  76  27.892  -1.671  -5.920
  501    HB   THR  76           HB       THR  76  28.298  -1.890  -3.409
  502    HG1  THR  76           1HG      THR  76  28.548   0.192  -2.897
  503   1HG2  THR  76          1HG2      THR  76  30.079  -2.882  -5.036
  504   2HG2  THR  76          2HG2      THR  76  30.769  -2.334  -3.517
  505   3HG2  THR  76          3HG2      THR  76  30.918  -1.341  -4.955
  506    H    LYS  77           H        LYS  77  27.988   1.497  -4.521
  507    HA   LYS  77           HA       LYS  77  26.517   2.965  -3.740
  508   1HB   LYS  77          2HB       LYS  77  25.547   2.135  -6.064
  509   2HB   LYS  77          1HB       LYS  77  24.355   1.451  -4.962
  510   1HG   LYS  77          2HG       LYS  77  24.131   3.606  -3.847
  511   2HG   LYS  77          1HG       LYS  77  25.305   4.242  -4.993
  512   1HD   LYS  77          2HD       LYS  77  23.790   3.780  -6.909
  513   2HD   LYS  77          1HD       LYS  77  22.601   3.075  -5.828
  514   1HE   LYS  77          2HE       LYS  77  21.986   5.405  -6.407
  515   2HE   LYS  77          1HE       LYS  77  22.325   5.271  -4.688
  516   1HZ   LYS  77          1HZ       LYS  77  23.362   7.157  -6.127
  517   2HZ   LYS  77          2HZ       LYS  77  24.518   5.969  -6.497
  518   3HZ   LYS  77          3HZ       LYS  77  24.255   6.424  -4.881
  519    H    ALA  78           H        ALA  78  27.080   0.353  -2.433
  520    HA   ALA  78           HA       ALA  78  24.702   0.045  -0.663
  521   1HB   ALA  78          1HB       ALA  78  25.493  -2.003  -1.794
  522   2HB   ALA  78          2HB       ALA  78  25.734  -2.128  -0.055
  523   3HB   ALA  78          3HB       ALA  78  27.095  -1.767  -1.109
  524    H    CYS  79           H        CYS  79  24.977   0.034   1.576
  525    HA   CYS  79           HA       CYS  79  27.135   1.769   2.513
  526   1HB   CYS  79          2HB       CYS  79  24.808   0.543   3.943
  527   2HB   CYS  79          1HB       CYS  79  26.008   1.500   4.753
  528    H    LYS  80           H        LYS  80  28.753   1.294   3.809
  529    HA   LYS  80           HA       LYS  80  28.949  -1.225   5.251
  530   1HB   LYS  80          2HB       LYS  80  30.952  -1.888   4.256
  531   2HB   LYS  80          1HB       LYS  80  29.580  -2.138   3.204
  532   1HG   LYS  80          2HG       LYS  80  31.197  -1.350   1.658
  533   2HG   LYS  80          1HG       LYS  80  30.225   0.050   2.006
  534   1HD   LYS  80          2HD       LYS  80  32.575   0.663   1.873
  535   2HD   LYS  80          1HD       LYS  80  32.025   0.953   3.491
  536   1HE   LYS  80          2HE       LYS  80  33.045  -1.213   4.217
  537   2HE   LYS  80          1HE       LYS  80  33.549  -1.524   2.561
  538   1HZ   LYS  80          1HZ       LYS  80  34.316   1.008   3.804
  539   2HZ   LYS  80          2HZ       LYS  80  35.136   0.073   2.646
  540   3HZ   LYS  80          3HZ       LYS  80  35.131  -0.405   4.277
  541    H    ALA  81           H        ALA  81  30.808  -1.284   6.661
  542    HA   ALA  81           HA       ALA  81  31.464   0.962   8.104
  543   1HB   ALA  81          1HB       ALA  81  32.047  -1.324   8.801
  544   2HB   ALA  81          2HB       ALA  81  33.463  -0.290   8.895
  545   3HB   ALA  81          3HB       ALA  81  33.282  -1.414   7.555
  546    H    VAL  82           H        VAL  82  32.173   2.853   7.422
  547    HA   VAL  82           HA       VAL  82  33.508   3.563   5.144
  548    HB   VAL  82           HB       VAL  82  32.556   5.145   6.799
  549   1HG1  VAL  82          1HG1      VAL  82  33.453   4.104   8.893
  550   2HG1  VAL  82          2HG1      VAL  82  33.860   5.807   8.808
  551   3HG1  VAL  82          3HG1      VAL  82  35.071   4.591   8.445
  552   1HG2  VAL  82          1HG2      VAL  82  35.463   5.748   6.125
  553   2HG2  VAL  82          2HG2      VAL  82  34.256   6.934   6.589
  554   3HG2  VAL  82          3HG2      VAL  82  34.076   6.041   5.088
  Start of MODEL   17
    1    H    GLY   1           H        GLY   1 -24.402  -4.759  -1.413
    2   1HA   GLY   1          2HA       GLY   1 -26.652  -3.279  -2.084
    3   2HA   GLY   1          1HA       GLY   1 -26.364  -3.875  -0.449
    4    H    THR   2           H        THR   2 -26.288  -2.323   1.076
    5    HA   THR   2           HA       THR   2 -26.521   0.401   0.579
    6    HB   THR   2           HB       THR   2 -27.201  -0.532   2.714
    7    HG1  THR   2           1HG      THR   2 -26.230   1.670   2.415
    8   1HG2  THR   2          1HG2      THR   2 -24.186  -0.778   3.241
    9   2HG2  THR   2          2HG2      THR   2 -25.243  -2.156   2.959
   10   3HG2  THR   2          3HG2      THR   2 -25.466  -1.155   4.389
   11    H    ASN   3           H        ASN   3 -25.156   2.072   1.318
   12    HA   ASN   3           HA       ASN   3 -22.378   1.793   0.303
   13   1HB   ASN   3          2HB       ASN   3 -23.934   3.559  -0.590
   14   2HB   ASN   3          1HB       ASN   3 -24.017   4.266   1.012
   15   1HD2  ASN   3          1HD2      ASN   3 -23.154   6.079  -0.631
   16   2HD2  ASN   3          2HD2      ASN   3 -21.465   6.259  -0.654
   17    H    GLU   4           H        GLU   4 -22.006   0.515   2.235
   18    HA   GLU   4           HA       GLU   4 -21.997   1.555   4.881
   19   1HB   GLU   4          2HB       GLU   4 -20.743  -0.440   5.409
   20   2HB   GLU   4          1HB       GLU   4 -21.942  -0.865   4.220
   21   1HG   GLU   4          2HG       GLU   4 -18.967  -0.430   3.670
   22   2HG   GLU   4          1HG       GLU   4 -19.806  -1.958   3.661
   23    H    CYS   5           H        CYS   5 -20.136   2.514   2.312
   24    HA   CYS   5           HA       CYS   5 -17.587   2.837   3.476
   25   1HB   CYS   5          2HB       CYS   5 -18.895   4.346   1.228
   26   2HB   CYS   5          1HB       CYS   5 -17.208   4.363   1.596
   27    H    LEU   6           H        LEU   6 -20.370   4.821   3.134
   28    HA   LEU   6           HA       LEU   6 -19.668   7.361   3.834
   29   1HB   LEU   6          2HB       LEU   6 -22.131   5.851   4.763
   30   2HB   LEU   6          1HB       LEU   6 -21.977   7.591   4.660
   31    HG   LEU   6           HG       LEU   6 -21.780   5.671   2.292
   32   1HD1  LEU   6          1HD1      LEU   6 -23.959   7.635   3.109
   33   2HD1  LEU   6          2HD1      LEU   6 -24.071   5.882   3.198
   34   3HD1  LEU   6          3HD1      LEU   6 -23.955   6.676   1.635
   35   1HD2  LEU   6          1HD2      LEU   6 -21.821   8.738   2.354
   36   2HD2  LEU   6          2HD2      LEU   6 -21.812   7.756   0.901
   37   3HD2  LEU   6          3HD2      LEU   6 -20.414   7.770   1.950
   38    H    ASP   7           H        ASP   7 -20.632   4.887   6.144
   39    HA   ASP   7           HA       ASP   7 -19.578   6.482   8.445
   40   1HB   ASP   7          2HB       ASP   7 -21.912   5.368   8.489
   41   2HB   ASP   7          1HB       ASP   7 -21.071   3.830   8.367
   42    H    ASN   8           H        ASN   8 -18.894   4.255   9.978
   43    HA   ASN   8           HA       ASN   8 -16.224   3.820   9.515
   44   1HB   ASN   8          2HB       ASN   8 -18.192   1.973  10.646
   45   2HB   ASN   8          1HB       ASN   8 -16.473   1.832  10.940
   46   1HD2  ASN   8          1HD2      ASN   8 -15.439   3.755  12.052
   47   2HD2  ASN   8          2HD2      ASN   8 -16.372   4.666  13.139
   48    H    ASN   9           H        ASN   9 -15.315   3.047   7.718
   49    HA   ASN   9           HA       ASN   9 -16.299   1.942   5.446
   50   1HB   ASN   9          2HB       ASN   9 -13.996   2.698   5.867
   51   2HB   ASN   9          1HB       ASN   9 -13.723   1.254   6.827
   52   1HD2  ASN   9          1HD2      ASN   9 -13.508  -0.772   5.801
   53   2HD2  ASN   9          2HD2      ASN   9 -13.122  -0.879   4.161
   54    H    GLY  10           H        GLY  10 -18.059   0.551   6.075
   55   1HA   GLY  10          2HA       GLY  10 -19.040  -1.547   6.038
   56   2HA   GLY  10          1HA       GLY  10 -17.427  -2.213   5.869
   57    H    GLY  11           H        GLY  11 -16.852  -0.474   8.343
   58   1HA   GLY  11          2HA       GLY  11 -18.023  -0.878  10.706
   59   2HA   GLY  11          1HA       GLY  11 -17.341  -2.495  10.424
   60    H    CYS  12           H        CYS  12 -15.322  -1.198   8.731
   61    HA   CYS  12           HA       CYS  12 -13.269  -0.557  10.742
   62   1HB   CYS  12          2HB       CYS  12 -13.182  -1.275   7.797
   63   2HB   CYS  12          1HB       CYS  12 -11.798  -1.029   8.797
   64    H    SER  13           H        SER  13 -11.734   0.642   8.481
   65    HA   SER  13           HA       SER  13 -12.961   3.097   7.613
   66   1HB   SER  13          2HB       SER  13 -11.510   4.598   9.000
   67   2HB   SER  13          1HB       SER  13 -12.551   3.618  10.041
   68    HG   SER  13           HG       SER  13 -10.788   2.066  10.078
   69    H    HIS  14           H        HIS  14 -11.823   0.848   6.539
   70    HA   HIS  14           HA       HIS  14  -9.245   1.716   5.370
   71   1HB   HIS  14          2HB       HIS  14 -10.392  -1.046   5.907
   72   2HB   HIS  14          1HB       HIS  14  -8.859  -0.716   5.142
   73    HD1  HIS  14           1HD      HIS  14  -9.936  -1.634   8.264
   74    HD2  HIS  14           2HD      HIS  14  -7.386   1.328   7.086
   75    HE1  HIS  14           1HE      HIS  14  -8.585  -1.055  10.244
   76    H    VAL  15           H        VAL  15 -10.562  -1.010   3.910
   77    HA   VAL  15           HA       VAL  15 -11.510   0.563   1.551
   78    HB   VAL  15           HB       VAL  15 -10.385  -2.253   1.691
   79   1HG1  VAL  15          1HG1      VAL  15 -12.063  -2.015  -0.148
   80   2HG1  VAL  15          2HG1      VAL  15 -10.449  -2.177  -0.807
   81   3HG1  VAL  15          3HG1      VAL  15 -11.220  -0.599  -0.745
   82   1HG2  VAL  15          1HG2      VAL  15  -9.229   0.301   0.541
   83   2HG2  VAL  15          2HG2      VAL  15  -8.492  -1.292   0.439
   84   3HG2  VAL  15          3HG2      VAL  15  -8.687  -0.512   2.004
   85    H    CYS  16           H        CYS  16 -13.630   0.654   1.572
   86    HA   CYS  16           HA       CYS  16 -15.326  -1.461   2.672
   87   1HB   CYS  16          2HB       CYS  16 -17.108   0.127   2.007
   88   2HB   CYS  16          1HB       CYS  16 -15.926   0.899   3.012
   89    H    ASN  17           H        ASN  17 -14.416  -3.063   1.237
   90    HA   ASN  17           HA       ASN  17 -14.977  -2.812  -1.651
   91   1HB   ASN  17          2HB       ASN  17 -12.923  -3.762  -1.098
   92   2HB   ASN  17          1HB       ASN  17 -13.538  -4.819   0.121
   93   1HD2  ASN  17          1HD2      ASN  17 -14.015  -6.928  -0.625
   94   2HD2  ASN  17          2HD2      ASN  17 -14.076  -7.385  -2.255
   95    H    ASP  18           H        ASP  18 -16.938  -2.599  -1.620
   96    HA   ASP  18           HA       ASP  18 -19.094  -3.777  -0.359
   97   1HB   ASP  18          2HB       ASP  18 -19.226  -1.760  -1.763
   98   2HB   ASP  18          1HB       ASP  18 -19.011  -2.732  -3.207
   99    H    LEU  19           H        LEU  19 -18.852  -5.899  -0.088
  100    HA   LEU  19           HA       LEU  19 -18.739  -7.884  -2.123
  101   1HB   LEU  19          2HB       LEU  19 -18.110  -7.889   0.441
  102   2HB   LEU  19          1HB       LEU  19 -19.818  -8.074   0.696
  103    HG   LEU  19           HG       LEU  19 -19.841 -10.196  -0.589
  104   1HD1  LEU  19          1HD1      LEU  19 -17.827  -9.646  -1.996
  105   2HD1  LEU  19          2HD1      LEU  19 -17.625 -11.171  -1.154
  106   3HD1  LEU  19          3HD1      LEU  19 -16.835  -9.715  -0.551
  107   1HD2  LEU  19          1HD2      LEU  19 -18.718 -11.455   1.226
  108   2HD2  LEU  19          2HD2      LEU  19 -19.614 -10.086   1.849
  109   3HD2  LEU  19          3HD2      LEU  19 -17.871  -9.991   1.708
  110    H    LYS  20           H        LYS  20 -20.679  -9.575  -2.083
  111    HA   LYS  20           HA       LYS  20 -23.040  -8.136  -2.957
  112   1HB   LYS  20          2HB       LYS  20 -23.956 -10.425  -3.340
  113   2HB   LYS  20          1HB       LYS  20 -22.336 -10.262  -3.988
  114   1HG   LYS  20          2HG       LYS  20 -21.416 -11.433  -1.959
  115   2HG   LYS  20          1HG       LYS  20 -23.045 -11.613  -1.338
  116   1HD   LYS  20          2HD       LYS  20 -22.365 -13.692  -2.396
  117   2HD   LYS  20          1HD       LYS  20 -23.691 -12.974  -3.286
  118   1HE   LYS  20          2HE       LYS  20 -22.087 -12.099  -4.987
  119   2HE   LYS  20          1HE       LYS  20 -20.747 -12.778  -4.072
  120   1HZ   LYS  20          1HZ       LYS  20 -21.407 -14.206  -5.873
  121   2HZ   LYS  20          2HZ       LYS  20 -22.992 -14.293  -5.267
  122   3HZ   LYS  20          3HZ       LYS  20 -21.706 -14.966  -4.384
  123    H    ILE  21           H        ILE  21 -22.179 -10.175  -0.181
  124    HA   ILE  21           HA       ILE  21 -24.098  -8.811   1.564
  125    HB   ILE  21           HB       ILE  21 -23.943 -11.823   1.111
  126   1HG1  ILE  21          2HG1      ILE  21 -26.257  -9.886   0.605
  127   2HG1  ILE  21          1HG1      ILE  21 -25.304 -10.682  -0.632
  128   1HG2  ILE  21          1HG2      ILE  21 -24.220 -11.246   3.499
  129   2HG2  ILE  21          2HG2      ILE  21 -25.704 -11.951   2.896
  130   3HG2  ILE  21          3HG2      ILE  21 -25.581 -10.206   3.105
  131   1HD1  ILE  21          1HD1      ILE  21 -26.098 -12.895   0.121
  132   2HD1  ILE  21          2HD1      ILE  21 -27.432 -11.849  -0.333
  133   3HD1  ILE  21          3HD1      ILE  21 -27.088 -12.136   1.357
  134    H    GLY  22           H        GLY  22 -22.803  -8.181   3.228
  135   1HA   GLY  22          2HA       GLY  22 -21.450  -8.467   5.107
  136   2HA   GLY  22          1HA       GLY  22 -20.982 -10.027   4.477
  137    H    TYR  23           H        TYR  23 -20.868  -6.789   3.345
  138    HA   TYR  23           HA       TYR  23 -18.793  -6.442   1.683
  139   1HB   TYR  23          2HB       TYR  23 -19.128  -4.519   3.968
  140   2HB   TYR  23          1HB       TYR  23 -18.623  -4.169   2.330
  141    HD1  TYR  23           1HD      TYR  23 -20.459  -5.259   0.492
  142    HD2  TYR  23           2HD      TYR  23 -21.294  -3.851   4.405
  143    HE1  TYR  23           1HE      TYR  23 -22.788  -4.902  -0.145
  144    HE2  TYR  23           2HE      TYR  23 -23.635  -3.491   3.777
  145    HH   TYR  23           HH       TYR  23 -25.021  -4.810   1.067
  146    H    GLU  24           H        GLU  24 -16.641  -5.752   1.733
  147    HA   GLU  24           HA       GLU  24 -15.071  -6.968   3.909
  148   1HB   GLU  24          2HB       GLU  24 -14.336  -6.196   1.126
  149   2HB   GLU  24          1HB       GLU  24 -13.297  -7.019   2.245
  150   1HG   GLU  24          2HG       GLU  24 -15.921  -8.077   1.126
  151   2HG   GLU  24          1HG       GLU  24 -14.322  -8.611   0.651
  152    H    CYS  25           H        CYS  25 -13.282  -6.219   4.527
  153    HA   CYS  25           HA       CYS  25 -12.788  -3.369   4.766
  154   1HB   CYS  25          2HB       CYS  25 -13.656  -4.330   6.814
  155   2HB   CYS  25          1HB       CYS  25 -12.601  -5.701   6.681
  156    H    LEU  26           H        LEU  26 -11.556  -4.185   2.638
  157    HA   LEU  26           HA       LEU  26  -9.127  -5.696   3.075
  158   1HB   LEU  26          2HB       LEU  26  -9.532  -3.881   0.695
  159   2HB   LEU  26          1HB       LEU  26  -8.708  -5.385   0.829
  160    HG   LEU  26           HG       LEU  26 -11.712  -5.242   1.003
  161   1HD1  LEU  26          1HD1      LEU  26 -10.952  -4.741  -1.290
  162   2HD1  LEU  26          2HD1      LEU  26 -11.670  -6.337  -1.230
  163   3HD1  LEU  26          3HD1      LEU  26  -9.933  -6.171  -1.289
  164   1HD2  LEU  26          1HD2      LEU  26 -10.795  -7.149   2.266
  165   2HD2  LEU  26          2HD2      LEU  26  -9.869  -7.648   0.854
  166   3HD2  LEU  26          3HD2      LEU  26 -11.626  -7.690   0.818
  167    H    CYS  27           H        CYS  27  -7.164  -4.635   1.994
  168    HA   CYS  27           HA       CYS  27  -6.211  -2.526   3.742
  169   1HB   CYS  27          2HB       CYS  27  -4.852  -4.179   1.637
  170   2HB   CYS  27          1HB       CYS  27  -4.042  -3.069   2.713
  171    HA   PRO  28           HA       PRO  28  -7.069   0.804   0.787
  172   1HB   PRO  28          2HB       PRO  28  -5.053   2.158   2.565
  173   2HB   PRO  28          1HB       PRO  28  -6.611   2.734   2.023
  174   1HG   PRO  28          2HG       PRO  28  -6.384   1.860   4.480
  175   2HG   PRO  28          1HG       PRO  28  -7.801   1.391   3.518
  176   1HD   PRO  28          2HD       PRO  28  -5.345  -0.209   4.155
  177   2HD   PRO  28          1HD       PRO  28  -7.052  -0.696   4.154
  178    H    ASP  29           H        ASP  29  -3.770   0.652   2.009
  179    HA   ASP  29           HA       ASP  29  -2.642   1.320  -0.590
  180   1HB   ASP  29          2HB       ASP  29  -0.507   1.228   0.677
  181   2HB   ASP  29          1HB       ASP  29  -1.683   2.241   1.473
  182    H    GLY  30           H        GLY  30  -0.520  -0.013  -0.972
  183   1HA   GLY  30          2HA       GLY  30  -1.184  -2.372  -2.244
  184   2HA   GLY  30          1HA       GLY  30   0.443  -1.890  -1.857
  185    H    PHE  31           H        PHE  31  -0.533  -2.191   1.167
  186    HA   PHE  31           HA       PHE  31   0.710  -4.674   1.605
  187   1HB   PHE  31          2HB       PHE  31  -1.227  -3.102   3.270
  188   2HB   PHE  31          1HB       PHE  31  -0.399  -4.503   3.881
  189    HD1  PHE  31           1HD      PHE  31   1.718  -2.776   1.540
  190    HD2  PHE  31           2HD      PHE  31   0.298  -2.716   5.563
  191    HE1  PHE  31           1HE      PHE  31   3.555  -1.320   2.143
  192    HE2  PHE  31           2HE      PHE  31   2.192  -1.236   6.171
  193    HZ   PHE  31           HZ       PHE  31   3.801  -0.567   4.460
  194    H    GLN  32           H        GLN  32  -0.140  -6.441   2.859
  195    HA   GLN  32           HA       GLN  32  -2.568  -7.543   1.512
  196   1HB   GLN  32          2HB       GLN  32  -0.217  -8.893   2.846
  197   2HB   GLN  32          1HB       GLN  32  -1.566  -9.715   2.135
  198   1HG   GLN  32          2HG       GLN  32   0.314  -9.727   0.541
  199   2HG   GLN  32          1HG       GLN  32  -0.931  -8.673  -0.099
  200   1HE2  GLN  32          1HE2      GLN  32   1.660  -8.106   2.353
  201   2HE2  GLN  32          2HE2      GLN  32   2.317  -6.755   1.560
  202    H    LEU  33           H        LEU  33  -4.344  -8.010   2.739
  203    HA   LEU  33           HA       LEU  33  -4.309  -7.332   5.588
  204   1HB   LEU  33          2HB       LEU  33  -6.300  -7.010   3.875
  205   2HB   LEU  33          1HB       LEU  33  -6.593  -8.711   4.086
  206    HG   LEU  33           HG       LEU  33  -6.647  -8.210   6.651
  207   1HD1  LEU  33          1HD1      LEU  33  -6.925  -5.386   5.551
  208   2HD1  LEU  33          2HD1      LEU  33  -5.580  -5.968   6.516
  209   3HD1  LEU  33          3HD1      LEU  33  -7.181  -5.838   7.222
  210   1HD2  LEU  33          1HD2      LEU  33  -8.978  -7.446   6.622
  211   2HD2  LEU  33          2HD2      LEU  33  -8.713  -8.689   5.410
  212   3HD2  LEU  33          3HD2      LEU  33  -8.826  -7.000   4.930
  213    H    VAL  34           H        VAL  34  -2.704  -8.937   6.203
  214    HA   VAL  34           HA       VAL  34  -3.573 -11.777   6.149
  215    HB   VAL  34           HB       VAL  34  -1.326 -11.286   5.381
  216   1HG1  VAL  34          1HG1      VAL  34  -0.824 -10.268   8.203
  217   2HG1  VAL  34          2HG1      VAL  34  -0.864  -9.286   6.743
  218   3HG1  VAL  34          3HG1      VAL  34   0.395 -10.495   6.976
  219   1HG2  VAL  34          1HG2      VAL  34  -0.085 -12.908   6.796
  220   2HG2  VAL  34          2HG2      VAL  34  -1.710 -13.478   6.459
  221   3HG2  VAL  34          3HG2      VAL  34  -1.326 -12.798   8.031
  222    H    ALA  35           H        ALA  35  -2.668  -9.262   8.425
  223    HA   ALA  35           HA       ALA  35  -3.090 -10.917  10.709
  224   1HB   ALA  35          1HB       ALA  35  -2.491  -8.816  11.951
  225   2HB   ALA  35          2HB       ALA  35  -2.491  -7.964  10.412
  226   3HB   ALA  35          3HB       ALA  35  -1.334  -9.244  10.702
  227    H    GLN  36           H        GLN  36  -5.355 -10.955   9.315
  228    HA   GLN  36           HA       GLN  36  -7.632 -10.925   9.514
  229   1HB   GLN  36          2HB       GLN  36  -7.128  -9.651  12.250
  230   2HB   GLN  36          1HB       GLN  36  -8.632 -10.354  11.702
  231   1HG   GLN  36          2HG       GLN  36  -7.578 -12.572  11.469
  232   2HG   GLN  36          1HG       GLN  36  -6.015 -11.906  11.923
  233   1HE2  GLN  36          1HE2      GLN  36  -9.336 -12.405  13.172
  234   2HE2  GLN  36          2HE2      GLN  36  -8.879 -12.439  14.807
  235    H    ARG  37           H        ARG  37  -6.788  -7.915  11.149
  236    HA   ARG  37           HA       ARG  37  -8.504  -6.373   9.245
  237   1HB   ARG  37          2HB       ARG  37  -7.940  -5.905  12.196
  238   2HB   ARG  37          1HB       ARG  37  -8.939  -4.876  11.191
  239   1HG   ARG  37          2HG       ARG  37  -9.489  -7.836  11.703
  240   2HG   ARG  37          1HG       ARG  37 -10.132  -6.567  12.712
  241   1HD   ARG  37          2HD       ARG  37 -10.575  -6.691   9.713
  242   2HD   ARG  37          1HD       ARG  37 -11.712  -7.334  10.896
  243    HE   ARG  37           HE       ARG  37 -11.205  -4.505  10.320
  244   1HH1  ARG  37          2HH1      ARG  37 -12.347  -6.820  12.640
  245   2HH1  ARG  37          1HH1      ARG  37 -13.306  -5.661  13.495
  246   1HH2  ARG  37          1HH2      ARG  37 -12.427  -3.011  11.421
  247   2HH2  ARG  37          2HH2      ARG  37 -13.355  -3.492  12.800
  248    H    ARG  38           H        ARG  38  -5.433  -6.844  10.581
  249    HA   ARG  38           HA       ARG  38  -4.434  -4.168   9.831
  250   1HB   ARG  38          2HB       ARG  38  -3.300  -6.449  11.476
  251   2HB   ARG  38          1HB       ARG  38  -2.333  -5.088  10.997
  252   1HG   ARG  38          2HG       ARG  38  -3.160  -4.749  13.279
  253   2HG   ARG  38          1HG       ARG  38  -3.951  -3.591  12.237
  254   1HD   ARG  38          2HD       ARG  38  -6.002  -5.038  12.203
  255   2HD   ARG  38          1HD       ARG  38  -5.185  -6.197  13.241
  256    HE   ARG  38           HE       ARG  38  -5.497  -4.717  15.051
  257   1HH1  ARG  38          2HH1      ARG  38  -6.200  -3.172  12.024
  258   2HH1  ARG  38          1HH1      ARG  38  -6.903  -1.779  12.771
  259   1HH2  ARG  38          1HH2      ARG  38  -6.388  -2.954  16.014
  260   2HH2  ARG  38          2HH2      ARG  38  -7.010  -1.651  15.057
  261    H    CYS  39           H        CYS  39  -3.099  -3.857   8.234
  262    HA   CYS  39           HA       CYS  39  -2.601  -6.038   6.311
  263   1HB   CYS  39          2HB       CYS  39  -2.307  -3.038   6.053
  264   2HB   CYS  39          1HB       CYS  39  -2.256  -4.217   4.754
  265    H    GLU  40           H        GLU  40  -0.551  -6.516   5.435
  266    HA   GLU  40           HA       GLU  40   1.756  -5.658   7.062
  267   1HB   GLU  40          2HB       GLU  40   2.736  -7.727   6.458
  268   2HB   GLU  40          1HB       GLU  40   1.137  -8.084   7.069
  269   1HG   GLU  40          2HG       GLU  40   0.317  -8.068   4.655
  270   2HG   GLU  40          1HG       GLU  40   1.967  -7.845   4.138
  271    H    ASP  41           H        ASP  41   3.597  -5.165   6.179
  272    HA   ASP  41           HA       ASP  41   3.653  -4.114   3.434
  273   1HB   ASP  41          2HB       ASP  41   4.480  -2.693   5.389
  274   2HB   ASP  41          1HB       ASP  41   5.661  -3.920   5.722
  275    H    ILE  42           H        ILE  42   5.662  -4.367   2.280
  276    HA   ILE  42           HA       ILE  42   6.680  -7.093   2.340
  277    HB   ILE  42           HB       ILE  42   6.603  -4.986   0.096
  278   1HG1  ILE  42          2HG1      ILE  42   4.947  -7.538   0.455
  279   2HG1  ILE  42          1HG1      ILE  42   4.347  -5.912   0.700
  280   1HG2  ILE  42          1HG2      ILE  42   7.403  -6.838  -1.391
  281   2HG2  ILE  42          2HG2      ILE  42   7.462  -7.921  -0.010
  282   3HG2  ILE  42          3HG2      ILE  42   8.546  -6.542  -0.099
  283   1HD1  ILE  42          1HD1      ILE  42   5.358  -7.009  -1.956
  284   2HD1  ILE  42          2HD1      ILE  42   4.769  -5.376  -1.684
  285   3HD1  ILE  42          3HD1      ILE  42   3.683  -6.745  -1.515
  286    H    ASP  43           H        ASP  43   8.771  -7.080   3.276
  287    HA   ASP  43           HA       ASP  43  10.140  -4.427   3.454
  288   1HB   ASP  43          2HB       ASP  43   9.710  -5.846   5.506
  289   2HB   ASP  43          1HB       ASP  43  10.860  -7.013   4.878
  290    H    GLU  44           H        GLU  44  11.535  -3.950   2.042
  291    HA   GLU  44           HA       GLU  44  12.856  -5.859   0.304
  292   1HB   GLU  44          2HB       GLU  44  13.259  -2.870   0.493
  293   2HB   GLU  44          1HB       GLU  44  13.667  -3.907  -0.849
  294   1HG   GLU  44          2HG       GLU  44  11.752  -2.684  -1.386
  295   2HG   GLU  44          1HG       GLU  44  11.216  -4.341  -1.235
  296    H    CYS  45           H        CYS  45  13.632  -3.927   3.126
  297    HA   CYS  45           HA       CYS  45  16.411  -3.804   2.835
  298   1HB   CYS  45          2HB       CYS  45  14.694  -3.801   5.331
  299   2HB   CYS  45          1HB       CYS  45  16.380  -3.486   5.324
  300    H    GLN  46           H        GLN  46  14.618  -5.719   5.021
  301    HA   GLN  46           HA       GLN  46  16.446  -7.460   6.078
  302   1HB   GLN  46          2HB       GLN  46  13.587  -8.074   5.222
  303   2HB   GLN  46          1HB       GLN  46  14.510  -9.043   6.346
  304   1HG   GLN  46          2HG       GLN  46  13.850  -6.101   6.766
  305   2HG   GLN  46          1HG       GLN  46  12.987  -7.429   7.529
  306   1HE2  GLN  46          1HE2      GLN  46  14.432  -8.912   8.915
  307   2HE2  GLN  46          2HE2      GLN  46  15.710  -8.182   9.763
  308    H    ASP  47           H        ASP  47  14.720  -7.895   3.054
  309    HA   ASP  47           HA       ASP  47  16.054 -10.323   2.377
  310   1HB   ASP  47          2HB       ASP  47  13.736  -9.882   1.615
  311   2HB   ASP  47          1HB       ASP  47  14.280  -8.469   0.730
  312    HA   PRO  48           HA       PRO  48  19.545  -8.152   0.579
  313   1HB   PRO  48          2HB       PRO  48  20.650 -10.165  -0.926
  314   2HB   PRO  48          1HB       PRO  48  20.753 -10.146   0.816
  315   1HG   PRO  48          2HG       PRO  48  18.838 -11.656  -0.914
  316   2HG   PRO  48          1HG       PRO  48  19.730 -12.204   0.515
  317   1HD   PRO  48          2HD       PRO  48  17.131 -11.475   0.612
  318   2HD   PRO  48          1HD       PRO  48  18.237 -11.251   1.977
  319    H    ASP  49           H        ASP  49  18.146  -6.758  -0.542
  320    HA   ASP  49           HA       ASP  49  18.156  -7.136  -3.477
  321   1HB   ASP  49          2HB       ASP  49  15.928  -7.852  -2.716
  322   2HB   ASP  49          1HB       ASP  49  15.750  -6.374  -1.787
  323    H    THR  50           H        THR  50  17.766  -4.960  -0.739
  324    HA   THR  50           HA       THR  50  17.856  -2.541  -2.281
  325    HB   THR  50           HB       THR  50  18.135  -1.528   0.078
  326    HG1  THR  50           1HG      THR  50  19.081  -3.883   0.536
  327   1HG2  THR  50          1HG2      THR  50  16.014  -3.710  -0.190
  328   2HG2  THR  50          2HG2      THR  50  15.846  -2.098  -0.852
  329   3HG2  THR  50          3HG2      THR  50  15.918  -2.326   0.887
  330    H    CYS  51           H        CYS  51  20.158  -2.588   0.330
  331    HA   CYS  51           HA       CYS  51  22.369  -2.364  -1.647
  332   1HB   CYS  51          2HB       CYS  51  21.686  -0.788   0.807
  333   2HB   CYS  51          1HB       CYS  51  23.217  -0.679   0.006
  334    H    SER  52           H        SER  52  24.552  -2.380  -0.439
  335    HA   SER  52           HA       SER  52  25.352  -4.863   0.163
  336   1HB   SER  52          2HB       SER  52  26.385  -2.262   1.334
  337   2HB   SER  52          1HB       SER  52  27.300  -3.779   1.298
  338    HG   SER  52           HG       SER  52  27.724  -3.319  -0.687
  339    H    GLN  53           H        GLN  53  24.663  -2.614   2.804
  340    HA   GLN  53           HA       GLN  53  24.005  -4.980   4.518
  341   1HB   GLN  53          2HB       GLN  53  25.697  -2.583   5.280
  342   2HB   GLN  53          1HB       GLN  53  25.119  -3.765   6.441
  343   1HG   GLN  53          2HG       GLN  53  26.911  -4.368   4.056
  344   2HG   GLN  53          1HG       GLN  53  27.430  -4.238   5.734
  345   1HE2  GLN  53          1HE2      GLN  53  26.634  -6.503   3.428
  346   2HE2  GLN  53          2HE2      GLN  53  26.141  -7.770   4.443
  347    H    LEU  54           H        LEU  54  24.023  -1.715   5.842
  348    HA   LEU  54           HA       LEU  54  21.405  -2.093   6.803
  349   1HB   LEU  54          2HB       LEU  54  22.986   0.453   6.492
  350   2HB   LEU  54          1HB       LEU  54  21.493   0.297   7.386
  351    HG   LEU  54           HG       LEU  54  24.164  -0.907   8.072
  352   1HD1  LEU  54          1HD1      LEU  54  23.617   1.450   8.692
  353   2HD1  LEU  54          2HD1      LEU  54  23.684   0.424  10.126
  354   3HD1  LEU  54          3HD1      LEU  54  22.133   0.887   9.436
  355   1HD2  LEU  54          1HD2      LEU  54  22.384  -2.631   8.469
  356   2HD2  LEU  54          2HD2      LEU  54  21.462  -1.434   9.374
  357   3HD2  LEU  54          3HD2      LEU  54  23.027  -1.988   9.970
  358    H    CYS  55           H        CYS  55  19.773  -0.901   6.737
  359    HA   CYS  55           HA       CYS  55  18.900   0.667   4.422
  360   1HB   CYS  55          2HB       CYS  55  18.835  -1.632   3.508
  361   2HB   CYS  55          1HB       CYS  55  17.896  -2.175   4.832
  362    H    VAL  56           H        VAL  56  16.419   0.994   4.606
  363    HA   VAL  56           HA       VAL  56  15.363   0.872   7.353
  364    HB   VAL  56           HB       VAL  56  16.653   2.962   7.396
  365   1HG1  VAL  56          1HG1      VAL  56  16.819   3.473   4.988
  366   2HG1  VAL  56          2HG1      VAL  56  16.227   4.856   5.880
  367   3HG1  VAL  56          3HG1      VAL  56  15.117   3.897   4.928
  368   1HG2  VAL  56          1HG2      VAL  56  14.840   4.588   7.909
  369   2HG2  VAL  56          2HG2      VAL  56  14.492   2.999   8.568
  370   3HG2  VAL  56          3HG2      VAL  56  13.675   3.545   7.115
  371    H    ASN  57           H        ASN  57  13.756  -0.319   6.770
  372    HA   ASN  57           HA       ASN  57  12.041   0.193   4.459
  373   1HB   ASN  57          2HB       ASN  57  12.671  -2.120   5.088
  374   2HB   ASN  57          1HB       ASN  57  11.899  -1.892   6.649
  375   1HD2  ASN  57          1HD2      ASN  57  10.101  -3.173   6.629
  376   2HD2  ASN  57          2HD2      ASN  57   8.940  -3.214   5.397
  377    H    LEU  58           H        LEU  58   9.818   0.145   4.622
  378    HA   LEU  58           HA       LEU  58   8.111   0.760   6.809
  379   1HB   LEU  58          2HB       LEU  58   7.606   3.129   6.455
  380   2HB   LEU  58          1HB       LEU  58   9.285   2.978   6.849
  381    HG   LEU  58           HG       LEU  58   8.332   3.270   3.971
  382   1HD1  LEU  58          1HD1      LEU  58   8.994   5.659   4.234
  383   2HD1  LEU  58          2HD1      LEU  58   9.367   5.388   5.930
  384   3HD1  LEU  58          3HD1      LEU  58   7.707   5.269   5.361
  385   1HD2  LEU  58          1HD2      LEU  58  10.673   3.962   3.650
  386   2HD2  LEU  58          2HD2      LEU  58  10.596   2.336   4.294
  387   3HD2  LEU  58          3HD2      LEU  58  11.008   3.684   5.347
  388    H    GLU  59           H        GLU  59   6.359   2.397   5.370
  389    HA   GLU  59           HA       GLU  59   5.205   0.355   3.677
  390   1HB   GLU  59          2HB       GLU  59   3.753   1.861   5.105
  391   2HB   GLU  59          1HB       GLU  59   4.274   3.246   4.169
  392   1HG   GLU  59          2HG       GLU  59   3.121   2.387   2.146
  393   2HG   GLU  59          1HG       GLU  59   2.720   0.894   2.942
  394    H    GLY  60           H        GLY  60   6.465  -0.105   2.254
  395   1HA   GLY  60          2HA       GLY  60   7.280  -0.258   0.162
  396   2HA   GLY  60          1HA       GLY  60   5.966   0.818  -0.277
  397    H    GLY  61           H        GLY  61   7.532   2.574   1.867
  398   1HA   GLY  61          2HA       GLY  61   8.969   4.184  -0.127
  399   2HA   GLY  61          1HA       GLY  61   8.643   4.626   1.542
  400    H    TYR  62           H        TYR  62   9.958   1.667   1.530
  401    HA   TYR  62           HA       TYR  62  12.190   2.010   3.024
  402   1HB   TYR  62          2HB       TYR  62  13.089  -0.073   2.206
  403   2HB   TYR  62          1HB       TYR  62  11.337  -0.170   2.120
  404    HD1  TYR  62           1HD      TYR  62  14.404  -0.297   0.285
  405    HD2  TYR  62           2HD      TYR  62  10.225   0.345  -0.204
  406    HE1  TYR  62           1HE      TYR  62  14.640  -0.691  -2.105
  407    HE2  TYR  62           2HE      TYR  62  10.461  -0.047  -2.611
  408    HH   TYR  62           HH       TYR  62  12.816  -1.574  -4.004
  409    H    LYS  63           H        LYS  63  14.253   2.682   2.969
  410    HA   LYS  63           HA       LYS  63  15.466   3.455   0.390
  411   1HB   LYS  63          2HB       LYS  63  15.631   4.955   3.011
  412   2HB   LYS  63          1HB       LYS  63  16.416   5.302   1.514
  413   1HG   LYS  63          2HG       LYS  63  14.242   5.747   0.395
  414   2HG   LYS  63          1HG       LYS  63  13.400   5.297   1.862
  415   1HD   LYS  63          2HD       LYS  63  13.418   7.728   1.657
  416   2HD   LYS  63          1HD       LYS  63  14.338   7.241   3.057
  417   1HE   LYS  63          2HE       LYS  63  15.580   7.999   0.378
  418   2HE   LYS  63          1HE       LYS  63  15.438   9.086   1.750
  419   1HZ   LYS  63          1HZ       LYS  63  16.639   6.925   2.823
  420   2HZ   LYS  63          2HZ       LYS  63  17.426   8.332   2.289
  421   3HZ   LYS  63          3HZ       LYS  63  17.317   6.982   1.265
  422    H    CYS  64           H        CYS  64  17.738   3.471   0.533
  423    HA   CYS  64           HA       CYS  64  18.817   1.301   2.179
  424   1HB   CYS  64          2HB       CYS  64  19.936   2.970  -0.032
  425   2HB   CYS  64          1HB       CYS  64  20.930   1.889   0.866
  426    H    GLN  65           H        GLN  65  20.930   1.456   2.981
  427    HA   GLN  65           HA       GLN  65  21.992   3.971   4.112
  428   1HB   GLN  65          2HB       GLN  65  21.282   1.619   5.873
  429   2HB   GLN  65          1HB       GLN  65  22.016   3.103   6.405
  430   1HG   GLN  65          2HG       GLN  65  19.962   4.377   5.710
  431   2HG   GLN  65          1HG       GLN  65  19.175   2.851   5.332
  432   1HE2  GLN  65          1HE2      GLN  65  19.900   1.215   7.464
  433   2HE2  GLN  65          2HE2      GLN  65  19.328   1.877   8.918
  434    H    CYS  66           H        CYS  66  23.855   2.707   5.757
  435    HA   CYS  66           HA       CYS  66  25.179   0.617   4.188
  436   1HB   CYS  66          2HB       CYS  66  26.451   3.221   4.908
  437   2HB   CYS  66          1HB       CYS  66  27.019   1.950   3.878
  438    H    GLU  67           H        GLU  67  27.072  -0.205   5.359
  439    HA   GLU  67           HA       GLU  67  26.522  -0.200   8.250
  440   1HB   GLU  67          2HB       GLU  67  26.991  -2.328   6.987
  441   2HB   GLU  67          1HB       GLU  67  28.614  -1.756   6.667
  442   1HG   GLU  67          2HG       GLU  67  28.533  -3.327   8.611
  443   2HG   GLU  67          1HG       GLU  67  29.127  -1.759   9.108
  444    H    GLU  68           H        GLU  68  27.163   2.193   7.953
  445    HA   GLU  68           HA       GLU  68  28.504   3.938   8.578
  446   1HB   GLU  68          2HB       GLU  68  29.991   1.694   9.986
  447   2HB   GLU  68          1HB       GLU  68  30.264   3.386  10.286
  448   1HG   GLU  68          2HG       GLU  68  27.869   3.636  10.985
  449   2HG   GLU  68          1HG       GLU  68  27.558   1.959  10.570
  450    H    GLY  69           H        GLY  69  31.081   1.621   8.338
  451   1HA   GLY  69          2HA       GLY  69  33.037   3.305   7.291
  452   2HA   GLY  69          1HA       GLY  69  33.124   1.559   7.315
  453    H    PHE  70           H        PHE  70  30.413   2.162   5.622
  454    HA   PHE  70           HA       PHE  70  31.729   1.556   3.184
  455   1HB   PHE  70          2HB       PHE  70  28.916   2.170   3.899
  456   2HB   PHE  70          1HB       PHE  70  29.337   1.726   2.260
  457    HD1  PHE  70           1HD      PHE  70  27.536  -0.067   2.734
  458    HD2  PHE  70           2HD      PHE  70  31.338  -0.086   4.670
  459    HE1  PHE  70           1HE      PHE  70  27.265  -2.423   3.294
  460    HE2  PHE  70           2HE      PHE  70  31.058  -2.437   5.212
  461    HZ   PHE  70           HZ       PHE  70  29.035  -3.624   4.524
  462    H    GLN  71           H        GLN  71  31.491   2.703   1.163
  463    HA   GLN  71           HA       GLN  71  31.031   5.590   1.356
  464   1HB   GLN  71          2HB       GLN  71  33.471   4.092   0.497
  465   2HB   GLN  71          1HB       GLN  71  33.076   5.506  -0.418
  466   1HG   GLN  71          2HG       GLN  71  33.402   5.445   2.632
  467   2HG   GLN  71          1HG       GLN  71  34.608   6.062   1.503
  468   1HE2  GLN  71          1HE2      GLN  71  33.499   7.787   3.435
  469   2HE2  GLN  71          2HE2      GLN  71  32.519   8.939   2.664
  470    H    LEU  72           H        LEU  72  31.241   6.525  -0.852
  471    HA   LEU  72           HA       LEU  72  29.118   5.238  -2.424
  472   1HB   LEU  72          2HB       LEU  72  29.184   7.698  -2.141
  473   2HB   LEU  72          1HB       LEU  72  30.697   7.764  -3.019
  474    HG   LEU  72           HG       LEU  72  29.526   6.706  -5.013
  475   1HD1  LEU  72          1HD1      LEU  72  27.054   6.672  -5.069
  476   2HD1  LEU  72          2HD1      LEU  72  26.998   7.147  -3.380
  477   3HD1  LEU  72          3HD1      LEU  72  27.653   5.583  -3.838
  478   1HD2  LEU  72          1HD2      LEU  72  29.804   9.167  -4.854
  479   2HD2  LEU  72          2HD2      LEU  72  28.290   9.289  -3.968
  480   3HD2  LEU  72          3HD2      LEU  72  28.289   8.765  -5.648
  481    H    ASP  73           H        ASP  73  29.723   3.509  -3.490
  482    HA   ASP  73           HA       ASP  73  32.293   3.238  -4.863
  483   1HB   ASP  73          2HB       ASP  73  30.987   1.273  -3.869
  484   2HB   ASP  73          1HB       ASP  73  29.789   1.490  -5.130
  485    HA   PRO  74           HA       PRO  74  30.484   5.420  -8.379
  486   1HB   PRO  74          2HB       PRO  74  32.596   5.492 -10.010
  487   2HB   PRO  74          1HB       PRO  74  32.610   6.382  -8.505
  488   1HG   PRO  74          2HG       PRO  74  33.807   3.693  -9.062
  489   2HG   PRO  74          1HG       PRO  74  34.527   5.102  -8.262
  490   1HD   PRO  74          2HD       PRO  74  33.449   3.020  -6.884
  491   2HD   PRO  74          1HD       PRO  74  33.467   4.682  -6.262
  492    H    HIS  75           H        HIS  75  30.085   5.083 -10.626
  493    HA   HIS  75           HA       HIS  75  29.241   3.858 -12.423
  494   1HB   HIS  75          2HB       HIS  75  31.399   1.868 -11.596
  495   2HB   HIS  75          1HB       HIS  75  30.563   1.893 -13.143
  496    HD1  HIS  75           1HD      HIS  75  33.038   3.867 -11.202
  497    HD2  HIS  75           2HD      HIS  75  31.419   3.897 -14.950
  498    HE1  HIS  75           1HE      HIS  75  34.369   5.472 -12.522
  499    H    THR  76           H        THR  76  28.760   3.045  -9.429
  500    HA   THR  76           HA       THR  76  26.763   0.922 -10.007
  501    HB   THR  76           HB       THR  76  27.455  -0.219  -7.835
  502    HG1  THR  76           1HG      THR  76  29.486   0.541  -7.035
  503   1HG2  THR  76          1HG2      THR  76  29.626  -1.168  -8.626
  504   2HG2  THR  76          2HG2      THR  76  29.864   0.181  -9.719
  505   3HG2  THR  76          3HG2      THR  76  28.589  -0.986 -10.031
  506    H    LYS  77           H        LYS  77  28.032   3.294  -7.906
  507    HA   LYS  77           HA       LYS  77  27.114   4.951  -6.541
  508   1HB   LYS  77          2HB       LYS  77  24.578   4.034  -7.656
  509   2HB   LYS  77          1HB       LYS  77  24.755   5.496  -6.725
  510   1HG   LYS  77          2HG       LYS  77  26.371   6.363  -8.434
  511   2HG   LYS  77          1HG       LYS  77  26.131   4.912  -9.395
  512   1HD   LYS  77          2HD       LYS  77  23.707   5.446  -9.605
  513   2HD   LYS  77          1HD       LYS  77  23.939   6.897  -8.642
  514   1HE   LYS  77          2HE       LYS  77  25.525   7.773 -10.357
  515   2HE   LYS  77          1HE       LYS  77  25.282   6.318 -11.318
  516   1HZ   LYS  77          1HZ       LYS  77  23.182   8.265 -10.562
  517   2HZ   LYS  77          2HZ       LYS  77  22.946   6.858 -11.486
  518   3HZ   LYS  77          3HZ       LYS  77  23.911   8.120 -12.090
  519    H    ALA  78           H        ALA  78  26.683   1.747  -6.150
  520    HA   ALA  78           HA       ALA  78  24.934   1.738  -3.795
  521   1HB   ALA  78          1HB       ALA  78  24.980  -0.178  -5.380
  522   2HB   ALA  78          2HB       ALA  78  25.474  -0.694  -3.771
  523   3HB   ALA  78          3HB       ALA  78  26.681  -0.437  -5.024
  524    H    CYS  79           H        CYS  79  25.642   1.653  -1.671
  525    HA   CYS  79           HA       CYS  79  28.493   2.279  -1.275
  526   1HB   CYS  79          2HB       CYS  79  27.866   2.766   1.045
  527   2HB   CYS  79          1HB       CYS  79  26.936   3.687  -0.101
  528    H    LYS  80           H        LYS  80  29.930   1.091  -0.358
  529    HA   LYS  80           HA       LYS  80  29.239  -1.334   1.165
  530   1HB   LYS  80          2HB       LYS  80  30.657  -2.726  -0.140
  531   2HB   LYS  80          1HB       LYS  80  29.286  -2.194  -1.081
  532   1HG   LYS  80          2HG       LYS  80  31.173  -2.114  -2.591
  533   2HG   LYS  80          1HG       LYS  80  30.754  -0.462  -2.211
  534   1HD   LYS  80          2HD       LYS  80  32.663  -0.286  -0.656
  535   2HD   LYS  80          1HD       LYS  80  33.035  -1.989  -0.870
  536   1HE   LYS  80          2HE       LYS  80  33.504  -1.458  -3.289
  537   2HE   LYS  80          1HE       LYS  80  33.113   0.229  -2.958
  538   1HZ   LYS  80          1HZ       LYS  80  35.371  -1.362  -1.945
  539   2HZ   LYS  80          2HZ       LYS  80  34.873   0.059  -1.161
  540   3HZ   LYS  80          3HZ       LYS  80  35.396   0.118  -2.776
  541    H    ALA  81           H        ALA  81  31.440  -2.368   1.868
  542    HA   ALA  81           HA       ALA  81  32.881  -0.766   3.576
  543   1HB   ALA  81          1HB       ALA  81  33.075  -3.212   3.516
  544   2HB   ALA  81          2HB       ALA  81  34.671  -2.479   3.476
  545   3HB   ALA  81          3HB       ALA  81  33.962  -3.123   2.003
  546    H    VAL  82           H        VAL  82  33.797   1.142   3.178
  547    HA   VAL  82           HA       VAL  82  34.742   2.228   0.860
  548    HB   VAL  82           HB       VAL  82  34.586   3.461   2.983
  549   1HG1  VAL  82          1HG1      VAL  82  37.107   1.929   3.800
  550   2HG1  VAL  82          2HG1      VAL  82  35.524   1.677   4.495
  551   3HG1  VAL  82          3HG1      VAL  82  36.345   3.208   4.732
  552   1HG2  VAL  82          1HG2      VAL  82  37.415   3.570   1.847
  553   2HG2  VAL  82          2HG2      VAL  82  36.652   4.820   2.811
  554   3HG2  VAL  82          3HG2      VAL  82  36.028   4.435   1.217
  Start of MODEL   18
    1    H    GLY   1           H        GLY   1 -26.955  -6.953   4.652
    2   1HA   GLY   1          2HA       GLY   1 -26.408  -6.410   1.767
    3   2HA   GLY   1          1HA       GLY   1 -28.028  -6.388   2.460
    4    H    THR   2           H        THR   2 -26.612  -5.037   4.888
    5    HA   THR   2           HA       THR   2 -27.419  -2.426   4.393
    6    HB   THR   2           HB       THR   2 -27.187  -3.271   6.653
    7    HG1  THR   2           1HG      THR   2 -26.963  -1.043   6.230
    8   1HG2  THR   2          1HG2      THR   2 -24.915  -3.487   7.653
    9   2HG2  THR   2          2HG2      THR   2 -24.173  -3.011   6.129
   10   3HG2  THR   2          3HG2      THR   2 -24.999  -4.559   6.257
   11    H    ASN   3           H        ASN   3 -26.188  -0.522   4.558
   12    HA   ASN   3           HA       ASN   3 -23.755  -0.520   2.834
   13   1HB   ASN   3          2HB       ASN   3 -25.864   0.601   2.055
   14   2HB   ASN   3          1HB       ASN   3 -25.766   1.684   3.427
   15   1HD2  ASN   3          1HD2      ASN   3 -25.737   3.080   1.181
   16   2HD2  ASN   3          2HD2      ASN   3 -24.181   3.582   0.724
   17    H    GLU   4           H        GLU   4 -22.723  -1.171   4.856
   18    HA   GLU   4           HA       GLU   4 -22.505   0.554   7.122
   19   1HB   GLU   4          2HB       GLU   4 -20.422  -0.940   7.534
   20   2HB   GLU   4          1HB       GLU   4 -21.994  -1.694   7.535
   21   1HG   GLU   4          2HG       GLU   4 -20.208  -2.953   6.264
   22   2HG   GLU   4          1HG       GLU   4 -21.655  -2.639   5.335
   23    H    CYS   5           H        CYS   5 -21.327   1.045   4.059
   24    HA   CYS   5           HA       CYS   5 -18.754   2.081   4.533
   25   1HB   CYS   5          2HB       CYS   5 -20.788   2.772   2.417
   26   2HB   CYS   5          1HB       CYS   5 -19.136   3.283   2.386
   27    H    LEU   6           H        LEU   6 -21.947   3.322   4.508
   28    HA   LEU   6           HA       LEU   6 -21.716   6.059   4.654
   29   1HB   LEU   6          2HB       LEU   6 -23.661   4.283   6.152
   30   2HB   LEU   6          1HB       LEU   6 -23.898   5.974   5.797
   31    HG   LEU   6           HG       LEU   6 -23.617   3.727   3.739
   32   1HD1  LEU   6          1HD1      LEU   6 -26.012   4.204   3.283
   33   2HD1  LEU   6          2HD1      LEU   6 -26.016   5.402   4.569
   34   3HD1  LEU   6          3HD1      LEU   6 -25.761   3.705   4.949
   35   1HD2  LEU   6          1HD2      LEU   6 -24.227   5.450   2.040
   36   2HD2  LEU   6          2HD2      LEU   6 -22.736   5.904   2.833
   37   3HD2  LEU   6          3HD2      LEU   6 -24.239   6.691   3.282
   38    H    ASP   7           H        ASP   7 -21.588   3.723   7.238
   39    HA   ASP   7           HA       ASP   7 -20.799   5.784   9.262
   40   1HB   ASP   7          2HB       ASP   7 -22.690   4.070   9.692
   41   2HB   ASP   7          1HB       ASP   7 -21.446   2.833   9.580
   42    H    ASN   8           H        ASN   8 -19.301   4.047  10.816
   43    HA   ASN   8           HA       ASN   8 -16.720   4.306   9.871
   44   1HB   ASN   8          2HB       ASN   8 -17.913   2.409  11.739
   45   2HB   ASN   8          1HB       ASN   8 -16.178   2.604  11.651
   46   1HD2  ASN   8          1HD2      ASN   8 -19.167   4.043  12.804
   47   2HD2  ASN   8          2HD2      ASN   8 -18.459   5.380  13.572
   48    H    ASN   9           H        ASN   9 -15.781   3.349   8.176
   49    HA   ASN   9           HA       ASN   9 -16.674   1.633   6.302
   50   1HB   ASN   9          2HB       ASN   9 -14.517   2.740   6.111
   51   2HB   ASN   9          1HB       ASN   9 -13.870   1.792   7.435
   52   1HD2  ASN   9          1HD2      ASN   9 -12.169   1.272   5.764
   53   2HD2  ASN   9          2HD2      ASN   9 -12.453  -0.039   4.732
   54    H    GLY  10           H        GLY  10 -18.064   0.084   7.300
   55   1HA   GLY  10          2HA       GLY  10 -18.630  -2.056   8.003
   56   2HA   GLY  10          1HA       GLY  10 -17.090  -2.524   7.303
   57    H    GLY  11           H        GLY  11 -16.664  -0.223   9.646
   58   1HA   GLY  11          2HA       GLY  11 -16.835  -0.918  12.165
   59   2HA   GLY  11          1HA       GLY  11 -15.691  -2.166  11.664
   60    H    CYS  12           H        CYS  12 -14.240  -0.644   9.794
   61    HA   CYS  12           HA       CYS  12 -12.592   1.022  11.592
   62   1HB   CYS  12          2HB       CYS  12 -10.909   0.707   9.970
   63   2HB   CYS  12          1HB       CYS  12 -11.694  -0.846  10.158
   64    H    SER  13           H        SER  13 -11.562   2.267   8.965
   65    HA   SER  13           HA       SER  13 -13.696   3.943   7.992
   66   1HB   SER  13          2HB       SER  13 -12.728   6.108   8.957
   67   2HB   SER  13          1HB       SER  13 -13.263   5.019  10.243
   68    HG   SER  13           HG       SER  13 -11.272   4.716  10.804
   69    H    HIS  14           H        HIS  14 -11.807   2.229   6.876
   70    HA   HIS  14           HA       HIS  14  -9.957   3.966   5.349
   71   1HB   HIS  14          2HB       HIS  14 -10.208   0.933   5.688
   72   2HB   HIS  14          1HB       HIS  14  -8.985   1.712   4.737
   73    HD1  HIS  14           1HD      HIS  14 -10.130   1.665   8.186
   74    HD2  HIS  14           2HD      HIS  14  -6.707   2.452   6.150
   75    HE1  HIS  14           1HE      HIS  14  -8.357   2.013   9.924
   76    H    VAL  15           H        VAL  15 -10.576   1.260   3.613
   77    HA   VAL  15           HA       VAL  15 -12.653   2.575   1.927
   78    HB   VAL  15           HB       VAL  15 -10.399   2.238   0.981
   79   1HG1  VAL  15          1HG1      VAL  15  -9.598  -0.011   0.343
   80   2HG1  VAL  15          2HG1      VAL  15 -10.896  -0.736   1.258
   81   3HG1  VAL  15          3HG1      VAL  15  -9.688   0.242   2.075
   82   1HG2  VAL  15          1HG2      VAL  15 -11.192   1.122  -1.175
   83   2HG2  VAL  15          2HG2      VAL  15 -12.397   2.238  -0.555
   84   3HG2  VAL  15          3HG2      VAL  15 -12.593   0.510  -0.315
   85    H    CYS  16           H        CYS  16 -14.564   1.603   1.768
   86    HA   CYS  16           HA       CYS  16 -14.990  -0.973   3.109
   87   1HB   CYS  16          2HB       CYS  16 -17.291  -0.359   2.962
   88   2HB   CYS  16          1HB       CYS  16 -16.418   1.053   3.420
   89    H    ASN  17           H        ASN  17 -14.159  -2.556   1.926
   90    HA   ASN  17           HA       ASN  17 -14.857  -2.773  -0.962
   91   1HB   ASN  17          2HB       ASN  17 -12.568  -3.158  -0.402
   92   2HB   ASN  17          1HB       ASN  17 -12.949  -4.197   0.936
   93   1HD2  ASN  17          1HD2      ASN  17 -13.418  -6.424   0.420
   94   2HD2  ASN  17          2HD2      ASN  17 -13.317  -7.056  -1.148
   95    H    ASP  18           H        ASP  18 -16.796  -2.818  -0.493
   96    HA   ASP  18           HA       ASP  18 -18.367  -4.307   1.250
   97   1HB   ASP  18          2HB       ASP  18 -18.985  -2.255  -0.162
   98   2HB   ASP  18          1HB       ASP  18 -19.249  -3.359  -1.494
   99    H    LEU  19           H        LEU  19 -18.059  -6.308   1.482
  100    HA   LEU  19           HA       LEU  19 -18.030  -8.319  -0.549
  101   1HB   LEU  19          2HB       LEU  19 -16.983  -8.183   1.896
  102   2HB   LEU  19          1HB       LEU  19 -18.590  -8.584   2.416
  103    HG   LEU  19           HG       LEU  19 -18.547 -10.713   1.168
  104   1HD1  LEU  19          1HD1      LEU  19 -16.908  -9.942  -0.580
  105   2HD1  LEU  19          2HD1      LEU  19 -16.355 -11.405   0.213
  106   3HD1  LEU  19          3HD1      LEU  19 -15.674  -9.842   0.663
  107   1HD2  LEU  19          1HD2      LEU  19 -16.950 -11.790   2.728
  108   2HD2  LEU  19          2HD2      LEU  19 -17.872 -10.544   3.539
  109   3HD2  LEU  19          3HD2      LEU  19 -16.216 -10.225   3.065
  110    H    LYS  20           H        LYS  20 -19.749 -10.212  -0.145
  111    HA   LYS  20           HA       LYS  20 -22.366  -9.005  -0.572
  112   1HB   LYS  20          2HB       LYS  20 -23.102 -11.355  -0.897
  113   2HB   LYS  20          1HB       LYS  20 -21.634 -11.019  -1.794
  114   1HG   LYS  20          2HG       LYS  20 -20.277 -12.167  -0.041
  115   2HG   LYS  20          1HG       LYS  20 -21.730 -12.484   0.885
  116   1HD   LYS  20          2HD       LYS  20 -21.122 -14.484  -0.353
  117   2HD   LYS  20          1HD       LYS  20 -22.655 -13.862  -0.926
  118   1HE   LYS  20          2HE       LYS  20 -21.511 -12.831  -2.892
  119   2HE   LYS  20          1HE       LYS  20 -19.964 -13.430  -2.302
  120   1HZ   LYS  20          1HZ       LYS  20 -22.308 -15.065  -3.082
  121   2HZ   LYS  20          2HZ       LYS  20 -20.851 -15.680  -2.459
  122   3HZ   LYS  20          3HZ       LYS  20 -20.865 -14.883  -3.960
  123    H    ILE  21           H        ILE  21 -20.776 -10.970   1.891
  124    HA   ILE  21           HA       ILE  21 -22.497  -9.927   4.026
  125    HB   ILE  21           HB       ILE  21 -22.025 -12.874   3.394
  126   1HG1  ILE  21          2HG1      ILE  21 -24.627 -11.267   3.450
  127   2HG1  ILE  21          1HG1      ILE  21 -23.836 -11.875   2.010
  128   1HG2  ILE  21          1HG2      ILE  21 -23.438 -11.576   5.758
  129   2HG2  ILE  21          2HG2      ILE  21 -21.896 -12.423   5.817
  130   3HG2  ILE  21          3HG2      ILE  21 -23.361 -13.312   5.466
  131   1HD1  ILE  21          1HD1      ILE  21 -25.693 -13.340   2.626
  132   2HD1  ILE  21          2HD1      ILE  21 -24.989 -13.636   4.202
  133   3HD1  ILE  21          3HD1      ILE  21 -24.169 -14.201   2.755
  134    H    GLY  22           H        GLY  22 -20.967  -9.081   5.356
  135   1HA   GLY  22          2HA       GLY  22 -19.280  -9.267   6.989
  136   2HA   GLY  22          1HA       GLY  22 -18.671 -10.662   6.130
  137    H    TYR  23           H        TYR  23 -19.445  -7.485   5.101
  138    HA   TYR  23           HA       TYR  23 -17.727  -6.735   3.175
  139   1HB   TYR  23          2HB       TYR  23 -18.239  -4.861   5.468
  140   2HB   TYR  23          1HB       TYR  23 -18.028  -4.464   3.780
  141    HD1  TYR  23           1HD      TYR  23 -19.798  -5.451   2.075
  142    HD2  TYR  23           2HD      TYR  23 -20.398  -5.296   6.274
  143    HE1  TYR  23           1HE      TYR  23 -22.211  -5.670   1.737
  144    HE2  TYR  23           2HE      TYR  23 -22.817  -5.518   5.940
  145    HH   TYR  23           HH       TYR  23 -24.424  -4.861   3.667
  146    H    GLU  24           H        GLU  24 -15.785  -5.519   2.952
  147    HA   GLU  24           HA       GLU  24 -13.764  -6.178   5.008
  148   1HB   GLU  24          2HB       GLU  24 -13.485  -5.631   2.090
  149   2HB   GLU  24          1HB       GLU  24 -12.197  -6.068   3.157
  150   1HG   GLU  24          2HG       GLU  24 -14.607  -7.783   2.472
  151   2HG   GLU  24          1HG       GLU  24 -12.977  -8.014   1.857
  152    H    CYS  25           H        CYS  25 -12.056  -4.948   5.271
  153    HA   CYS  25           HA       CYS  25 -12.286  -2.072   4.913
  154   1HB   CYS  25          2HB       CYS  25 -12.667  -2.614   7.308
  155   2HB   CYS  25          1HB       CYS  25 -11.231  -3.618   7.331
  156    H    LEU  26           H        LEU  26 -11.056  -2.753   2.936
  157    HA   LEU  26           HA       LEU  26  -8.331  -3.726   3.282
  158   1HB   LEU  26          2HB       LEU  26  -9.610  -2.455   0.835
  159   2HB   LEU  26          1HB       LEU  26  -8.226  -3.508   0.882
  160    HG   LEU  26           HG       LEU  26 -11.062  -4.314   1.556
  161   1HD1  LEU  26          1HD1      LEU  26 -10.869  -5.729  -0.493
  162   2HD1  LEU  26          2HD1      LEU  26  -9.277  -5.067  -0.800
  163   3HD1  LEU  26          3HD1      LEU  26 -10.684  -4.025  -0.871
  164   1HD2  LEU  26          1HD2      LEU  26  -8.597  -6.067   1.525
  165   2HD2  LEU  26          2HD2      LEU  26 -10.256  -6.619   1.719
  166   3HD2  LEU  26          3HD2      LEU  26  -9.525  -5.606   2.949
  167    H    CYS  27           H        CYS  27  -6.986  -2.178   1.502
  168    HA   CYS  27           HA       CYS  27  -6.407   0.221   3.052
  169   1HB   CYS  27          2HB       CYS  27  -4.959  -1.211   0.845
  170   2HB   CYS  27          1HB       CYS  27  -4.382   0.259   1.585
  171    HA   PRO  28           HA       PRO  28  -8.361   2.866   0.002
  172   1HB   PRO  28          2HB       PRO  28  -7.414   5.247   0.955
  173   2HB   PRO  28          1HB       PRO  28  -8.664   4.330   1.736
  174   1HG   PRO  28          2HG       PRO  28  -5.795   4.513   2.469
  175   2HG   PRO  28          1HG       PRO  28  -7.225   4.492   3.507
  176   1HD   PRO  28          2HD       PRO  28  -5.654   2.307   3.051
  177   2HD   PRO  28          1HD       PRO  28  -7.362   2.222   3.498
  178    H    ASP  29           H        ASP  29  -5.177   3.430   1.058
  179    HA   ASP  29           HA       ASP  29  -4.123   4.611  -1.380
  180   1HB   ASP  29          2HB       ASP  29  -2.017   4.669  -0.055
  181   2HB   ASP  29          1HB       ASP  29  -3.360   5.306   0.864
  182    H    GLY  30           H        GLY  30  -1.722   3.657  -1.770
  183   1HA   GLY  30          2HA       GLY  30  -2.107   1.299  -3.265
  184   2HA   GLY  30          1HA       GLY  30  -0.604   2.161  -3.100
  185    H    PHE  31           H        PHE  31  -0.486   1.817  -0.159
  186    HA   PHE  31           HA       PHE  31   1.047  -0.548  -0.026
  187   1HB   PHE  31          2HB       PHE  31  -0.358   0.965   2.209
  188   2HB   PHE  31          1HB       PHE  31   0.974  -0.130   2.362
  189    HD1  PHE  31           1HD      PHE  31   2.848   0.378   0.454
  190    HD2  PHE  31           2HD      PHE  31   0.347   3.277   2.276
  191    HE1  PHE  31           1HE      PHE  31   4.500   2.129  -0.087
  192    HE2  PHE  31           2HE      PHE  31   1.985   5.023   1.731
  193    HZ   PHE  31           HZ       PHE  31   4.091   4.415   0.555
  194    H    GLN  32           H        GLN  32   0.797  -2.287   1.476
  195    HA   GLN  32           HA       GLN  32  -1.740  -3.739   0.976
  196   1HB   GLN  32          2HB       GLN  32   0.431  -4.883   0.528
  197   2HB   GLN  32          1HB       GLN  32   0.896  -4.663   2.207
  198   1HG   GLN  32          2HG       GLN  32  -1.042  -6.079   2.930
  199   2HG   GLN  32          1HG       GLN  32  -1.507  -6.295   1.247
  200   1HE2  GLN  32          1HE2      GLN  32  -0.298  -7.801  -0.011
  201   2HE2  GLN  32          2HE2      GLN  32   0.931  -8.771   0.645
  202    H    LEU  33           H        LEU  33  -2.935  -4.664   2.658
  203    HA   LEU  33           HA       LEU  33  -2.935  -3.101   5.165
  204   1HB   LEU  33          2HB       LEU  33  -5.052  -3.956   3.799
  205   2HB   LEU  33          1HB       LEU  33  -4.714  -5.512   4.508
  206    HG   LEU  33           HG       LEU  33  -4.695  -4.224   6.792
  207   1HD1  LEU  33          1HD1      LEU  33  -6.087  -2.146   6.786
  208   2HD1  LEU  33          2HD1      LEU  33  -6.155  -2.223   5.038
  209   3HD1  LEU  33          3HD1      LEU  33  -4.618  -1.965   5.848
  210   1HD2  LEU  33          1HD2      LEU  33  -6.465  -5.798   6.232
  211   2HD2  LEU  33          2HD2      LEU  33  -7.309  -4.551   5.315
  212   3HD2  LEU  33          3HD2      LEU  33  -7.123  -4.391   7.056
  213    H    VAL  34           H        VAL  34  -0.647  -4.105   5.333
  214    HA   VAL  34           HA       VAL  34  -0.475  -6.864   6.219
  215    HB   VAL  34           HB       VAL  34   1.318  -5.891   4.923
  216   1HG1  VAL  34          1HG1      VAL  34   1.731  -3.951   7.221
  217   2HG1  VAL  34          2HG1      VAL  34   1.108  -3.546   5.627
  218   3HG1  VAL  34          3HG1      VAL  34   2.759  -4.119   5.811
  219   1HG2  VAL  34          1HG2      VAL  34   3.254  -6.465   6.369
  220   2HG2  VAL  34          2HG2      VAL  34   1.963  -7.640   6.544
  221   3HG2  VAL  34          3HG2      VAL  34   2.222  -6.428   7.787
  222    H    ALA  35           H        ALA  35  -0.076  -3.739   7.810
  223    HA   ALA  35           HA       ALA  35   0.151  -4.941  10.395
  224   1HB   ALA  35          1HB       ALA  35   0.430  -2.552  11.124
  225   2HB   ALA  35          2HB       ALA  35   0.083  -2.067   9.467
  226   3HB   ALA  35          3HB       ALA  35   1.502  -3.024   9.818
  227    H    GLN  36           H        GLN  36  -2.138  -5.836   9.668
  228    HA   GLN  36           HA       GLN  36  -4.338  -6.165  10.255
  229   1HB   GLN  36          2HB       GLN  36  -3.718  -4.097  12.416
  230   2HB   GLN  36          1HB       GLN  36  -5.135  -5.115  12.385
  231   1HG   GLN  36          2HG       GLN  36  -3.714  -7.150  12.452
  232   2HG   GLN  36          1HG       GLN  36  -2.274  -6.137  12.512
  233   1HE2  GLN  36          1HE2      GLN  36  -2.426  -4.372  14.361
  234   2HE2  GLN  36          2HE2      GLN  36  -3.013  -4.935  15.852
  235    H    ARG  37           H        ARG  37  -4.263  -2.699  11.034
  236    HA   ARG  37           HA       ARG  37  -6.380  -2.220   8.959
  237   1HB   ARG  37          2HB       ARG  37  -5.987  -0.785  11.624
  238   2HB   ARG  37          1HB       ARG  37  -7.127  -0.295  10.402
  239   1HG   ARG  37          2HG       ARG  37  -8.277  -1.425  12.205
  240   2HG   ARG  37          1HG       ARG  37  -8.414  -2.363  10.737
  241   1HD   ARG  37          2HD       ARG  37  -6.809  -3.970  11.510
  242   2HD   ARG  37          1HD       ARG  37  -6.377  -2.988  12.917
  243    HE   ARG  37           HE       ARG  37  -8.977  -3.274  13.387
  244   1HH1  ARG  37          2HH1      ARG  37  -6.795  -5.684  12.149
  245   2HH1  ARG  37          1HH1      ARG  37  -7.693  -6.987  12.844
  246   1HH2  ARG  37          1HH2      ARG  37 -10.107  -4.900  14.242
  247   2HH2  ARG  37          2HH2      ARG  37  -9.598  -6.544  14.037
  248    H    ARG  38           H        ARG  38  -3.259  -1.708   9.826
  249    HA   ARG  38           HA       ARG  38  -2.995   0.991   8.646
  250   1HB   ARG  38          2HB       ARG  38  -1.135  -0.760  10.280
  251   2HB   ARG  38          1HB       ARG  38  -0.626   0.734   9.557
  252   1HG   ARG  38          2HG       ARG  38  -1.155   1.135  11.897
  253   2HG   ARG  38          1HG       ARG  38  -2.430   1.880  10.963
  254   1HD   ARG  38          2HD       ARG  38  -3.910  -0.115  11.434
  255   2HD   ARG  38          1HD       ARG  38  -2.600  -0.829  12.355
  256    HE   ARG  38           HE       ARG  38  -2.997   0.739  14.074
  257   1HH1  ARG  38          2HH1      ARG  38  -4.830   1.482  11.218
  258   2HH1  ARG  38          1HH1      ARG  38  -5.821   2.647  12.026
  259   1HH2  ARG  38          1HH2      ARG  38  -4.237   2.210  15.107
  260   2HH2  ARG  38          2HH2      ARG  38  -5.481   3.069  14.261
  261    H    CYS  39           H        CYS  39  -2.326   1.182   6.680
  262    HA   CYS  39           HA       CYS  39  -1.470  -1.178   5.177
  263   1HB   CYS  39          2HB       CYS  39  -2.357   1.542   4.269
  264   2HB   CYS  39          1HB       CYS  39  -2.037   0.175   3.220
  265    H    GLU  40           H        GLU  40   0.565  -1.614   4.796
  266    HA   GLU  40           HA       GLU  40   2.438   0.593   4.093
  267   1HB   GLU  40          2HB       GLU  40   2.832  -0.163   6.499
  268   2HB   GLU  40          1HB       GLU  40   3.154  -1.768   5.886
  269   1HG   GLU  40          2HG       GLU  40   5.052  -0.975   4.548
  270   2HG   GLU  40          1HG       GLU  40   4.715   0.690   4.951
  271    H    ASP  41           H        ASP  41   4.144  -0.009   2.797
  272    HA   ASP  41           HA       ASP  41   3.519  -1.944   0.741
  273   1HB   ASP  41          2HB       ASP  41   4.741   0.152   0.169
  274   2HB   ASP  41          1HB       ASP  41   6.010  -0.261   1.276
  275    H    ILE  42           H        ILE  42   5.209  -3.478   0.001
  276    HA   ILE  42           HA       ILE  42   5.648  -5.488   1.898
  277    HB   ILE  42           HB       ILE  42   5.630  -5.880  -0.586
  278   1HG1  ILE  42          2HG1      ILE  42   7.540  -7.431  -0.818
  279   2HG1  ILE  42          1HG1      ILE  42   8.311  -6.748   0.594
  280   1HG2  ILE  42          1HG2      ILE  42   7.597  -5.295  -1.976
  281   2HG2  ILE  42          2HG2      ILE  42   8.341  -4.496  -0.604
  282   3HG2  ILE  42          3HG2      ILE  42   6.864  -3.857  -1.303
  283   1HD1  ILE  42          1HD1      ILE  42   7.131  -8.848   1.158
  284   2HD1  ILE  42          2HD1      ILE  42   5.621  -8.194   0.544
  285   3HD1  ILE  42          3HD1      ILE  42   6.353  -7.514   1.988
  286    H    ASP  43           H        ASP  43   8.001  -6.262   2.595
  287    HA   ASP  43           HA       ASP  43   9.501  -3.817   3.438
  288   1HB   ASP  43          2HB       ASP  43   8.517  -5.419   5.129
  289   2HB   ASP  43          1HB       ASP  43   9.669  -6.620   4.577
  290    H    GLU  44           H        GLU  44  11.242  -3.321   2.379
  291    HA   GLU  44           HA       GLU  44  12.689  -5.196   0.681
  292   1HB   GLU  44          2HB       GLU  44  13.384  -2.324   1.337
  293   2HB   GLU  44          1HB       GLU  44  13.946  -3.271  -0.016
  294   1HG   GLU  44          2HG       GLU  44  12.313  -1.726  -0.710
  295   2HG   GLU  44          1HG       GLU  44  11.662  -3.336  -0.962
  296    H    CYS  45           H        CYS  45  12.992  -3.843   3.849
  297    HA   CYS  45           HA       CYS  45  15.791  -4.095   4.119
  298   1HB   CYS  45          2HB       CYS  45  13.582  -3.919   6.183
  299   2HB   CYS  45          1HB       CYS  45  15.254  -3.910   6.569
  300    H    GLN  46           H        GLN  46  13.302  -5.799   5.801
  301    HA   GLN  46           HA       GLN  46  14.691  -7.930   6.861
  302   1HB   GLN  46          2HB       GLN  46  11.831  -7.866   5.807
  303   2HB   GLN  46          1HB       GLN  46  12.447  -9.071   6.913
  304   1HG   GLN  46          2HG       GLN  46  12.320  -6.067   7.471
  305   2HG   GLN  46          1HG       GLN  46  11.239  -7.270   8.153
  306   1HE2  GLN  46          1HE2      GLN  46  12.704  -9.226   9.186
  307   2HE2  GLN  46          2HE2      GLN  46  13.921  -8.666  10.229
  308    H    ASP  47           H        ASP  47  13.110  -7.727   3.740
  309    HA   ASP  47           HA       ASP  47  13.949 -10.316   2.878
  310   1HB   ASP  47          2HB       ASP  47  11.836  -9.300   2.031
  311   2HB   ASP  47          1HB       ASP  47  12.749  -7.965   1.351
  312    HA   PRO  48           HA       PRO  48  17.953  -8.759   1.599
  313   1HB   PRO  48          2HB       PRO  48  18.691 -10.663  -0.247
  314   2HB   PRO  48          1HB       PRO  48  18.712 -10.956   1.473
  315   1HG   PRO  48          2HG       PRO  48  16.609 -11.715  -0.513
  316   2HG   PRO  48          1HG       PRO  48  17.296 -12.666   0.816
  317   1HD   PRO  48          2HD       PRO  48  14.904 -11.441   1.006
  318   2HD   PRO  48          1HD       PRO  48  15.974 -11.650   2.403
  319    H    ASP  49           H        ASP  49  17.103  -6.879   0.703
  320    HA   ASP  49           HA       ASP  49  17.125  -6.782  -2.264
  321   1HB   ASP  49          2HB       ASP  49  14.757  -6.807  -1.539
  322   2HB   ASP  49          1HB       ASP  49  15.069  -5.480  -0.440
  323    H    THR  50           H        THR  50  17.267  -4.947   0.752
  324    HA   THR  50           HA       THR  50  18.530  -2.652  -0.533
  325    HB   THR  50           HB       THR  50  18.452  -1.793   1.886
  326    HG1  THR  50           1HG      THR  50  17.166  -4.291   2.253
  327   1HG2  THR  50          1HG2      THR  50  16.414  -1.530   0.371
  328   2HG2  THR  50          2HG2      THR  50  15.967  -1.743   2.056
  329   3HG2  THR  50          3HG2      THR  50  15.852  -3.090   0.938
  330    H    CYS  51           H        CYS  51  19.835  -3.271   2.536
  331    HA   CYS  51           HA       CYS  51  22.505  -3.771   1.381
  332   1HB   CYS  51          2HB       CYS  51  21.615  -3.235   4.196
  333   2HB   CYS  51          1HB       CYS  51  23.242  -3.312   3.642
  334    H    SER  52           H        SER  52  23.794  -5.089   3.355
  335    HA   SER  52           HA       SER  52  22.583  -7.797   3.260
  336   1HB   SER  52          2HB       SER  52  24.928  -7.524   2.418
  337   2HB   SER  52          1HB       SER  52  25.418  -6.899   4.000
  338    HG   SER  52           HG       SER  52  25.044  -8.811   4.905
  339    H    GLN  53           H        GLN  53  22.914  -5.173   5.362
  340    HA   GLN  53           HA       GLN  53  22.347  -6.909   7.729
  341   1HB   GLN  53          2HB       GLN  53  24.082  -4.421   7.656
  342   2HB   GLN  53          1HB       GLN  53  23.649  -5.306   9.102
  343   1HG   GLN  53          2HG       GLN  53  25.303  -6.373   6.788
  344   2HG   GLN  53          1HG       GLN  53  25.864  -5.860   8.374
  345   1HE2  GLN  53          1HE2      GLN  53  25.121  -8.619   6.671
  346   2HE2  GLN  53          2HE2      GLN  53  24.752  -9.645   7.972
  347    H    LEU  54           H        LEU  54  22.580  -3.738   8.685
  348    HA   LEU  54           HA       LEU  54  19.883  -3.519   9.454
  349   1HB   LEU  54          2HB       LEU  54  21.682  -2.728  10.773
  350   2HB   LEU  54          1HB       LEU  54  22.347  -1.780   9.467
  351    HG   LEU  54           HG       LEU  54  19.597  -1.102  10.607
  352   1HD1  LEU  54          1HD1      LEU  54  20.816   0.493  12.051
  353   2HD1  LEU  54          2HD1      LEU  54  22.362  -0.097  11.441
  354   3HD1  LEU  54          3HD1      LEU  54  21.342  -1.146  12.420
  355   1HD2  LEU  54          1HD2      LEU  54  21.874   0.465   9.294
  356   2HD2  LEU  54          2HD2      LEU  54  20.293   1.126   9.707
  357   3HD2  LEU  54          3HD2      LEU  54  20.460  -0.016   8.402
  358    H    CYS  55           H        CYS  55  18.434  -1.994   8.982
  359    HA   CYS  55           HA       CYS  55  18.573  -0.277   6.635
  360   1HB   CYS  55          2HB       CYS  55  18.294  -2.466   5.599
  361   2HB   CYS  55          1HB       CYS  55  16.957  -2.822   6.625
  362    H    VAL  56           H        VAL  56  16.135   0.521   6.123
  363    HA   VAL  56           HA       VAL  56  14.530   0.728   8.619
  364    HB   VAL  56           HB       VAL  56  15.512   3.189   7.072
  365   1HG1  VAL  56          1HG1      VAL  56  14.429   4.482   8.887
  366   2HG1  VAL  56          2HG1      VAL  56  13.849   2.992   9.614
  367   3HG1  VAL  56          3HG1      VAL  56  13.249   3.500   8.045
  368   1HG2  VAL  56          1HG2      VAL  56  16.309   2.240   9.855
  369   2HG2  VAL  56          2HG2      VAL  56  16.802   3.751   9.107
  370   3HG2  VAL  56          3HG2      VAL  56  17.350   2.227   8.440
  371    H    ASN  57           H        ASN  57  12.924  -0.452   7.579
  372    HA   ASN  57           HA       ASN  57  11.747   0.433   5.046
  373   1HB   ASN  57          2HB       ASN  57  11.953  -2.002   5.574
  374   2HB   ASN  57          1HB       ASN  57  10.882  -1.743   6.944
  375   1HD2  ASN  57          1HD2      ASN  57   9.028  -2.863   6.364
  376   2HD2  ASN  57          2HD2      ASN  57   8.149  -2.579   4.942
  377    H    LEU  58           H        LEU  58   9.591   0.764   4.732
  378    HA   LEU  58           HA       LEU  58   7.456   1.274   6.484
  379   1HB   LEU  58          2HB       LEU  58   7.355   3.707   6.686
  380   2HB   LEU  58          1HB       LEU  58   8.810   3.141   7.421
  381    HG   LEU  58           HG       LEU  58   8.812   4.232   4.588
  382   1HD1  LEU  58          1HD1      LEU  58   9.428   5.654   7.252
  383   2HD1  LEU  58          2HD1      LEU  58   8.014   5.979   6.265
  384   3HD1  LEU  58          3HD1      LEU  58   9.613   6.372   5.661
  385   1HD2  LEU  58          1HD2      LEU  58  11.194   4.566   5.103
  386   2HD2  LEU  58          2HD2      LEU  58  10.756   2.884   5.244
  387   3HD2  LEU  58          3HD2      LEU  58  10.966   3.864   6.690
  388    H    GLU  59           H        GLU  59   6.420   3.531   5.231
  389    HA   GLU  59           HA       GLU  59   5.368   2.390   2.803
  390   1HB   GLU  59          2HB       GLU  59   4.838   4.900   4.397
  391   2HB   GLU  59          1HB       GLU  59   4.132   4.802   2.831
  392   1HG   GLU  59          2HG       GLU  59   2.410   4.009   4.287
  393   2HG   GLU  59          1HG       GLU  59   3.099   2.561   3.636
  394    H    GLY  60           H        GLY  60   6.782   2.179   1.415
  395   1HA   GLY  60          2HA       GLY  60   8.018   2.561  -0.458
  396   2HA   GLY  60          1HA       GLY  60   7.082   4.033  -0.605
  397    H    GLY  61           H        GLY  61   8.312   4.604   2.181
  398   1HA   GLY  61          2HA       GLY  61  10.582   6.192   1.198
  399   2HA   GLY  61          1HA       GLY  61   9.853   6.278   2.799
  400    H    TYR  62           H        TYR  62  10.557   3.167   1.872
  401    HA   TYR  62           HA       TYR  62  12.369   2.673   3.982
  402   1HB   TYR  62          2HB       TYR  62  12.756   0.487   3.034
  403   2HB   TYR  62          1HB       TYR  62  11.094   0.908   2.662
  404    HD1  TYR  62           1HD      TYR  62  14.361   0.195   1.347
  405    HD2  TYR  62           2HD      TYR  62  10.538   1.742   0.280
  406    HE1  TYR  62           1HE      TYR  62  14.924  -0.091  -1.003
  407    HE2  TYR  62           2HE      TYR  62  11.102   1.455  -2.086
  408    HH   TYR  62           HH       TYR  62  13.398  -0.445  -3.221
  409    H    LYS  63           H        LYS  63  14.507   2.839   4.290
  410    HA   LYS  63           HA       LYS  63  16.351   3.135   2.055
  411   1HB   LYS  63          2HB       LYS  63  16.200   4.994   4.402
  412   2HB   LYS  63          1HB       LYS  63  17.385   4.948   3.167
  413   1HG   LYS  63          2HG       LYS  63  15.796   5.627   1.421
  414   2HG   LYS  63          1HG       LYS  63  14.461   5.528   2.543
  415   1HD   LYS  63          2HD       LYS  63  15.081   7.865   2.220
  416   2HD   LYS  63          1HD       LYS  63  15.397   7.390   3.874
  417   1HE   LYS  63          2HE       LYS  63  17.823   7.105   3.328
  418   2HE   LYS  63          1HE       LYS  63  17.493   7.581   1.665
  419   1HZ   LYS  63          1HZ       LYS  63  18.235   9.479   2.796
  420   2HZ   LYS  63          2HZ       LYS  63  17.201   9.204   4.115
  421   3HZ   LYS  63          3HZ       LYS  63  16.558   9.675   2.616
  422    H    CYS  64           H        CYS  64  18.354   2.619   2.649
  423    HA   CYS  64           HA       CYS  64  18.672   1.193   5.234
  424   1HB   CYS  64          2HB       CYS  64  18.648  -0.169   3.298
  425   2HB   CYS  64          1HB       CYS  64  20.012   0.663   2.595
  426    H    GLN  65           H        GLN  65  20.673   0.880   6.038
  427    HA   GLN  65           HA       GLN  65  22.849   2.860   5.566
  428   1HB   GLN  65          2HB       GLN  65  21.809   2.311   8.380
  429   2HB   GLN  65          1HB       GLN  65  22.983   3.483   7.888
  430   1HG   GLN  65          2HG       GLN  65  21.332   4.825   6.673
  431   2HG   GLN  65          1HG       GLN  65  20.065   3.669   7.063
  432   1HE2  GLN  65          1HE2      GLN  65  22.326   6.000   8.547
  433   2HE2  GLN  65          2HE2      GLN  65  21.418   6.210   9.966
  434    H    CYS  66           H        CYS  66  24.472   2.034   7.613
  435    HA   CYS  66           HA       CYS  66  24.811  -0.872   7.029
  436   1HB   CYS  66          2HB       CYS  66  26.915   1.159   7.779
  437   2HB   CYS  66          1HB       CYS  66  27.098  -0.467   7.303
  438    H    GLU  67           H        GLU  67  26.044  -2.079   8.481
  439    HA   GLU  67           HA       GLU  67  24.951  -1.975  11.202
  440   1HB   GLU  67          2HB       GLU  67  25.054  -4.037   9.762
  441   2HB   GLU  67          1HB       GLU  67  26.790  -3.984   9.806
  442   1HG   GLU  67          2HG       GLU  67  25.024  -4.372  12.259
  443   2HG   GLU  67          1HG       GLU  67  25.796  -5.670  11.377
  444    H    GLU  68           H        GLU  68  26.019  -0.002  11.588
  445    HA   GLU  68           HA       GLU  68  27.649   1.402  12.426
  446   1HB   GLU  68          2HB       GLU  68  28.210  -1.216  13.864
  447   2HB   GLU  68          1HB       GLU  68  28.899   0.311  14.366
  448   1HG   GLU  68          2HG       GLU  68  26.845  -0.196  15.671
  449   2HG   GLU  68          1HG       GLU  68  26.618   1.247  14.708
  450    H    GLY  69           H        GLY  69  29.705  -1.446  12.474
  451   1HA   GLY  69          2HA       GLY  69  32.022  -0.048  11.642
  452   2HA   GLY  69          1HA       GLY  69  31.893  -1.790  11.812
  453    H    PHE  70           H        PHE  70  29.455  -1.411   9.903
  454    HA   PHE  70           HA       PHE  70  30.899  -2.043   7.534
  455   1HB   PHE  70          2HB       PHE  70  27.986  -1.927   8.260
  456   2HB   PHE  70          1HB       PHE  70  28.496  -2.330   6.632
  457    HD1  PHE  70           1HD      PHE  70  30.358  -3.557   9.653
  458    HD2  PHE  70           2HD      PHE  70  27.460  -4.493   6.674
  459    HE1  PHE  70           1HE      PHE  70  30.473  -5.897  10.291
  460    HE2  PHE  70           2HE      PHE  70  27.601  -6.857   7.319
  461    HZ   PHE  70           HZ       PHE  70  29.101  -7.565   9.123
  462    H    GLN  71           H        GLN  71  30.491  -1.033   5.493
  463    HA   GLN  71           HA       GLN  71  29.587   1.745   5.541
  464   1HB   GLN  71          2HB       GLN  71  32.239   0.606   4.760
  465   2HB   GLN  71          1HB       GLN  71  31.655   1.928   3.817
  466   1HG   GLN  71          2HG       GLN  71  31.957   1.964   6.867
  467   2HG   GLN  71          1HG       GLN  71  33.075   2.725   5.736
  468   1HE2  GLN  71          1HE2      GLN  71  31.700   4.320   7.623
  469   2HE2  GLN  71          2HE2      GLN  71  30.568   5.295   6.818
  470    H    LEU  72           H        LEU  72  29.645   2.644   3.386
  471    HA   LEU  72           HA       LEU  72  27.847   0.994   1.739
  472   1HB   LEU  72          2HB       LEU  72  27.478   3.455   2.049
  473   2HB   LEU  72          1HB       LEU  72  28.966   3.773   1.181
  474    HG   LEU  72           HG       LEU  72  28.006   2.493  -0.797
  475   1HD1  LEU  72          1HD1      LEU  72  26.309   1.123   0.386
  476   2HD1  LEU  72          2HD1      LEU  72  25.568   2.097  -0.867
  477   3HD1  LEU  72          3HD1      LEU  72  25.424   2.578   0.813
  478   1HD2  LEU  72          1HD2      LEU  72  27.900   4.968  -0.700
  479   2HD2  LEU  72          2HD2      LEU  72  26.377   4.878   0.175
  480   3HD2  LEU  72          3HD2      LEU  72  26.470   4.321  -1.492
  481    H    ASP  73           H        ASP  73  28.872  -0.581   0.749
  482    HA   ASP  73           HA       ASP  73  31.541  -0.387  -0.369
  483   1HB   ASP  73          2HB       ASP  73  30.563  -2.525   0.485
  484   2HB   ASP  73          1HB       ASP  73  29.394  -2.528  -0.827
  485    HA   PRO  74           HA       PRO  74  30.083   1.392  -4.223
  486   1HB   PRO  74          2HB       PRO  74  32.365   1.404  -5.629
  487   2HB   PRO  74          1HB       PRO  74  32.178   2.429  -4.225
  488   1HG   PRO  74          2HG       PRO  74  33.539  -0.231  -4.404
  489   2HG   PRO  74          1HG       PRO  74  34.091   1.270  -3.639
  490   1HD   PRO  74          2HD       PRO  74  32.951  -0.769  -2.246
  491   2HD   PRO  74          1HD       PRO  74  32.828   0.931  -1.750
  492    H    HIS  75           H        HIS  75  29.956   0.874  -6.480
  493    HA   HIS  75           HA       HIS  75  29.375  -0.516  -8.261
  494   1HB   HIS  75          2HB       HIS  75  31.415  -2.415  -7.006
  495   2HB   HIS  75          1HB       HIS  75  30.790  -2.506  -8.645
  496    HD1  HIS  75           1HD      HIS  75  33.057  -0.457  -6.564
  497    HD2  HIS  75           2HD      HIS  75  31.813  -0.558 -10.452
  498    HE1  HIS  75           1HE      HIS  75  34.540   1.074  -7.810
  499    H    THR  76           H        THR  76  28.572  -1.105  -5.258
  500    HA   THR  76           HA       THR  76  26.657  -3.293  -5.876
  501    HB   THR  76           HB       THR  76  27.051  -4.173  -3.513
  502    HG1  THR  76           1HG      THR  76  29.184  -2.329  -3.652
  503   1HG2  THR  76          1HG2      THR  76  29.313  -5.179  -3.886
  504   2HG2  THR  76          2HG2      THR  76  29.702  -3.956  -5.081
  505   3HG2  THR  76          3HG2      THR  76  28.491  -5.176  -5.437
  506    H    LYS  77           H        LYS  77  27.678  -0.712  -3.877
  507    HA   LYS  77           HA       LYS  77  26.585   0.973  -2.677
  508   1HB   LYS  77          2HB       LYS  77  24.299   0.129  -4.308
  509   2HB   LYS  77          1HB       LYS  77  24.348   1.622  -3.407
  510   1HG   LYS  77          2HG       LYS  77  26.390   2.305  -4.723
  511   2HG   LYS  77          1HG       LYS  77  26.240   0.843  -5.683
  512   1HD   LYS  77          2HD       LYS  77  23.985   1.572  -6.453
  513   2HD   LYS  77          1HD       LYS  77  24.137   3.041  -5.501
  514   1HE   LYS  77          2HE       LYS  77  26.156   3.689  -6.817
  515   2HE   LYS  77          1HE       LYS  77  26.004   2.220  -7.774
  516   1HZ   LYS  77          1HZ       LYS  77  24.891   3.645  -9.087
  517   2HZ   LYS  77          2HZ       LYS  77  24.383   4.637  -7.805
  518   3HZ   LYS  77          3HZ       LYS  77  23.591   3.165  -8.104
  519    H    ALA  78           H        ALA  78  26.572  -1.936  -1.985
  520    HA   ALA  78           HA       ALA  78  24.275  -2.108  -0.088
  521   1HB   ALA  78          1HB       ALA  78  24.548  -3.991  -1.692
  522   2HB   ALA  78          2HB       ALA  78  24.828  -4.529  -0.040
  523   3HB   ALA  78          3HB       ALA  78  26.190  -4.236  -1.112
  524    H    CYS  79           H        CYS  79  24.694  -2.530   2.103
  525    HA   CYS  79           HA       CYS  79  27.311  -1.593   3.005
  526   1HB   CYS  79          2HB       CYS  79  24.861  -2.350   4.554
  527   2HB   CYS  79          1HB       CYS  79  26.348  -1.873   5.302
  528    H    LYS  80           H        LYS  80  28.810  -2.592   4.047
  529    HA   LYS  80           HA       LYS  80  28.532  -5.267   5.170
  530   1HB   LYS  80          2HB       LYS  80  30.280  -6.214   4.015
  531   2HB   LYS  80          1HB       LYS  80  28.938  -5.941   2.901
  532   1HG   LYS  80          2HG       LYS  80  30.104  -3.808   2.120
  533   2HG   LYS  80          1HG       LYS  80  31.500  -4.246   3.081
  534   1HD   LYS  80          2HD       LYS  80  30.372  -5.886   0.780
  535   2HD   LYS  80          1HD       LYS  80  31.812  -4.894   0.719
  536   1HE   LYS  80          2HE       LYS  80  32.885  -6.313   2.464
  537   2HE   LYS  80          1HE       LYS  80  31.451  -7.332   2.515
  538   1HZ   LYS  80          1HZ       LYS  80  33.266  -6.918   0.224
  539   2HZ   LYS  80          2HZ       LYS  80  31.777  -7.726   0.113
  540   3HZ   LYS  80          3HZ       LYS  80  33.010  -8.349   1.103
  541    H    ALA  81           H        ALA  81  30.660  -5.884   6.237
  542    HA   ALA  81           HA       ALA  81  31.804  -3.977   7.882
  543   1HB   ALA  81          1HB       ALA  81  32.166  -6.402   8.140
  544   2HB   ALA  81          2HB       ALA  81  33.702  -5.551   8.161
  545   3HB   ALA  81          3HB       ALA  81  33.194  -6.413   6.717
  546    H    VAL  82           H        VAL  82  32.952  -2.214   7.597
  547    HA   VAL  82           HA       VAL  82  33.881  -1.196   5.210
  548    HB   VAL  82           HB       VAL  82  33.598   0.104   7.298
  549   1HG1  VAL  82          1HG1      VAL  82  35.336   0.035   9.075
  550   2HG1  VAL  82          2HG1      VAL  82  36.184  -1.241   8.221
  551   3HG1  VAL  82          3HG1      VAL  82  34.605  -1.548   8.900
  552   1HG2  VAL  82          1HG2      VAL  82  34.977   1.094   5.508
  553   2HG2  VAL  82          2HG2      VAL  82  36.416   0.333   6.161
  554   3HG2  VAL  82          3HG2      VAL  82  35.583   1.573   7.083
  Start of MODEL   19
    1    H    GLY   1           H        GLY   1 -20.294   0.203   0.260
    2   1HA   GLY   1          2HA       GLY   1 -22.019   1.792  -1.501
    3   2HA   GLY   1          1HA       GLY   1 -22.437   0.083  -1.387
    4    H    THR   2           H        THR   2 -24.338   1.567  -0.658
    5    HA   THR   2           HA       THR   2 -25.758   2.443   0.988
    6    HB   THR   2           HB       THR   2 -25.965  -0.026   0.869
    7    HG1  THR   2           1HG      THR   2 -27.219  -0.054   2.670
    8   1HG2  THR   2          1HG2      THR   2 -24.359   0.102   3.438
    9   2HG2  THR   2          2HG2      THR   2 -23.755  -0.634   1.962
   10   3HG2  THR   2          3HG2      THR   2 -25.134  -1.337   2.789
   11    H    ASN   3           H        ASN   3 -25.792   2.019   3.735
   12    HA   ASN   3           HA       ASN   3 -24.009   4.157   4.572
   13   1HB   ASN   3          2HB       ASN   3 -26.453   4.037   5.295
   14   2HB   ASN   3          1HB       ASN   3 -26.123   2.526   6.120
   15   1HD2  ASN   3          1HD2      ASN   3 -25.170   5.999   6.174
   16   2HD2  ASN   3          2HD2      ASN   3 -24.895   6.047   7.848
   17    H    GLU   4           H        GLU   4 -22.879   1.664   3.954
   18    HA   GLU   4           HA       GLU   4 -21.617   0.759   6.467
   19   1HB   GLU   4          2HB       GLU   4 -21.456  -0.119   3.550
   20   2HB   GLU   4          1HB       GLU   4 -20.476  -0.828   4.813
   21   1HG   GLU   4          2HG       GLU   4 -22.430  -1.565   6.039
   22   2HG   GLU   4          1HG       GLU   4 -23.527  -0.672   5.031
   23    H    CYS   5           H        CYS   5 -21.009   2.543   3.505
   24    HA   CYS   5           HA       CYS   5 -18.241   2.966   4.044
   25   1HB   CYS   5          2HB       CYS   5 -20.179   4.217   2.099
   26   2HB   CYS   5          1HB       CYS   5 -18.481   4.585   2.121
   27    H    LEU   6           H        LEU   6 -21.245   4.633   4.323
   28    HA   LEU   6           HA       LEU   6 -20.450   7.172   5.169
   29   1HB   LEU   6          2HB       LEU   6 -22.930   5.590   5.864
   30   2HB   LEU   6          1HB       LEU   6 -22.778   7.319   6.026
   31    HG   LEU   6           HG       LEU   6 -22.624   5.701   3.423
   32   1HD1  LEU   6          1HD1      LEU   6 -24.935   5.981   4.307
   33   2HD1  LEU   6          2HD1      LEU   6 -24.717   6.917   2.843
   34   3HD1  LEU   6          3HD1      LEU   6 -24.689   7.713   4.411
   35   1HD2  LEU   6          1HD2      LEU   6 -22.465   8.737   3.776
   36   2HD2  LEU   6          2HD2      LEU   6 -22.521   7.891   2.239
   37   3HD2  LEU   6          3HD2      LEU   6 -21.128   7.713   3.280
   38    H    ASP   7           H        ASP   7 -21.208   4.258   6.881
   39    HA   ASP   7           HA       ASP   7 -20.440   5.319   9.575
   40   1HB   ASP   7          2HB       ASP   7 -22.522   3.823   9.201
   41   2HB   ASP   7          1HB       ASP   7 -21.404   2.566   8.691
   42    H    ASN   8           H        ASN   8 -19.341   2.881  10.445
   43    HA   ASN   8           HA       ASN   8 -16.628   3.093  10.005
   44   1HB   ASN   8          2HB       ASN   8 -18.203   0.665  10.472
   45   2HB   ASN   8          1HB       ASN   8 -16.490   0.780  10.818
   46   1HD2  ASN   8          1HD2      ASN   8 -15.901   2.569  12.444
   47   2HD2  ASN   8          2HD2      ASN   8 -16.995   2.886  13.704
   48    H    ASN   9           H        ASN   9 -15.919   3.295   7.970
   49    HA   ASN   9           HA       ASN   9 -16.879   2.566   5.547
   50   1HB   ASN   9          2HB       ASN   9 -14.880   3.940   6.230
   51   2HB   ASN   9          1HB       ASN   9 -14.020   2.402   6.343
   52   1HD2  ASN   9          1HD2      ASN   9 -12.820   1.936   4.675
   53   2HD2  ASN   9          2HD2      ASN   9 -13.105   2.410   3.070
   54    H    GLY  10           H        GLY  10 -17.923   0.607   5.668
   55   1HA   GLY  10          2HA       GLY  10 -18.298  -1.578   5.139
   56   2HA   GLY  10          1HA       GLY  10 -16.685  -1.622   4.481
   57    H    GLY  11           H        GLY  11 -16.457  -0.647   7.605
   58   1HA   GLY  11          2HA       GLY  11 -16.872  -2.502   9.470
   59   2HA   GLY  11          1HA       GLY  11 -15.570  -3.286   8.570
   60    H    CYS  12           H        CYS  12 -14.273  -0.771   7.859
   61    HA   CYS  12           HA       CYS  12 -13.169   0.050  10.489
   62   1HB   CYS  12          2HB       CYS  12 -11.059   0.104   9.360
   63   2HB   CYS  12          1HB       CYS  12 -11.768  -1.490   9.243
   64    H    SER  13           H        SER  13 -11.493   1.575   8.233
   65    HA   SER  13           HA       SER  13 -13.197   3.750   7.384
   66   1HB   SER  13          2HB       SER  13 -12.153   5.467   8.801
   67   2HB   SER  13          1HB       SER  13 -12.949   4.239   9.791
   68    HG   SER  13           HG       SER  13 -10.195   4.288   9.071
   69    H    HIS  14           H        HIS  14 -11.535   1.804   6.314
   70    HA   HIS  14           HA       HIS  14  -9.279   3.292   5.082
   71   1HB   HIS  14          2HB       HIS  14  -9.727   0.298   5.490
   72   2HB   HIS  14          1HB       HIS  14  -8.352   1.029   4.717
   73    HD1  HIS  14           1HD      HIS  14  -8.543  -0.556   7.554
   74    HD2  HIS  14           2HD      HIS  14  -7.841   3.433   7.042
   75    HE1  HIS  14           1HE      HIS  14  -7.422   0.220   9.607
   76    H    VAL  15           H        VAL  15 -10.887   0.330   4.065
   77    HA   VAL  15           HA       VAL  15 -12.006   1.707   1.654
   78    HB   VAL  15           HB       VAL  15 -10.706  -1.032   1.754
   79   1HG1  VAL  15          1HG1      VAL  15 -12.010   0.447  -0.592
   80   2HG1  VAL  15          2HG1      VAL  15 -12.647  -0.988   0.186
   81   3HG1  VAL  15          3HG1      VAL  15 -11.162  -1.081  -0.728
   82   1HG2  VAL  15          1HG2      VAL  15  -9.043   0.770   1.734
   83   2HG2  VAL  15          2HG2      VAL  15  -9.824   1.495   0.332
   84   3HG2  VAL  15          3HG2      VAL  15  -9.060  -0.085   0.197
   85    H    CYS  16           H        CYS  16 -14.194   1.530   1.730
   86    HA   CYS  16           HA       CYS  16 -15.412  -0.635   3.277
   87   1HB   CYS  16          2HB       CYS  16 -17.499   0.491   2.655
   88   2HB   CYS  16          1HB       CYS  16 -16.429   1.602   3.419
   89    H    ASN  17           H        ASN  17 -14.518  -2.302   2.024
   90    HA   ASN  17           HA       ASN  17 -15.209  -2.546  -0.822
   91   1HB   ASN  17          2HB       ASN  17 -13.058  -3.231  -0.192
   92   2HB   ASN  17          1HB       ASN  17 -13.538  -4.126   1.204
   93   1HD2  ASN  17          1HD2      ASN  17 -12.686  -6.176   0.457
   94   2HD2  ASN  17          2HD2      ASN  17 -13.231  -6.969  -0.941
   95    H    ASP  18           H        ASP  18 -17.244  -2.276  -0.394
   96    HA   ASP  18           HA       ASP  18 -19.019  -3.816   1.201
   97   1HB   ASP  18          2HB       ASP  18 -19.429  -1.537   0.253
   98   2HB   ASP  18          1HB       ASP  18 -19.620  -2.238  -1.341
   99    H    LEU  19           H        LEU  19 -18.336  -5.892   0.846
  100    HA   LEU  19           HA       LEU  19 -18.354  -7.338  -1.559
  101   1HB   LEU  19          2HB       LEU  19 -17.384  -7.838   0.856
  102   2HB   LEU  19          1HB       LEU  19 -18.995  -8.368   1.213
  103    HG   LEU  19           HG       LEU  19 -18.916 -10.080  -0.584
  104   1HD1  LEU  19          1HD1      LEU  19 -16.022  -9.149  -0.760
  105   2HD1  LEU  19          2HD1      LEU  19 -17.222  -8.896  -2.015
  106   3HD1  LEU  19          3HD1      LEU  19 -16.702 -10.524  -1.628
  107   1HD2  LEU  19          1HD2      LEU  19 -17.379 -11.573   0.645
  108   2HD2  LEU  19          2HD2      LEU  19 -18.330 -10.598   1.743
  109   3HD2  LEU  19          3HD2      LEU  19 -16.654 -10.179   1.436
  110    H    LYS  20           H        LYS  20 -19.934  -9.198  -1.932
  111    HA   LYS  20           HA       LYS  20 -22.609  -8.117  -2.104
  112   1HB   LYS  20          2HB       LYS  20 -23.155 -10.346  -3.077
  113   2HB   LYS  20          1HB       LYS  20 -21.695  -9.691  -3.791
  114   1HG   LYS  20          2HG       LYS  20 -20.321 -11.137  -2.255
  115   2HG   LYS  20          1HG       LYS  20 -21.804 -11.837  -1.623
  116   1HD   LYS  20          2HD       LYS  20 -22.437 -12.630  -3.875
  117   2HD   LYS  20          1HD       LYS  20 -20.960 -11.950  -4.537
  118   1HE   LYS  20          2HE       LYS  20 -21.078 -14.115  -2.391
  119   2HE   LYS  20          1HE       LYS  20 -20.698 -14.382  -4.085
  120   1HZ   LYS  20          1HZ       LYS  20 -19.130 -12.883  -2.084
  121   2HZ   LYS  20          2HZ       LYS  20 -18.842 -12.745  -3.752
  122   3HZ   LYS  20          3HZ       LYS  20 -18.668 -14.250  -2.982
  123    H    ILE  21           H        ILE  21 -21.009 -10.610  -0.157
  124    HA   ILE  21           HA       ILE  21 -22.887 -10.234   2.062
  125    HB   ILE  21           HB       ILE  21 -22.244 -12.893   0.713
  126   1HG1  ILE  21          2HG1      ILE  21 -24.916 -11.423   0.974
  127   2HG1  ILE  21          1HG1      ILE  21 -24.000 -11.620  -0.507
  128   1HG2  ILE  21          1HG2      ILE  21 -23.881 -12.283   3.208
  129   2HG2  ILE  21          2HG2      ILE  21 -22.313 -13.081   3.178
  130   3HG2  ILE  21          3HG2      ILE  21 -23.708 -13.883   2.491
  131   1HD1  ILE  21          1HD1      ILE  21 -25.221 -13.917   1.062
  132   2HD1  ILE  21          2HD1      ILE  21 -24.276 -14.065  -0.412
  133   3HD1  ILE  21          3HD1      ILE  21 -25.826 -13.241  -0.435
  134    H    GLY  22           H        GLY  22 -21.349  -9.563   3.532
  135   1HA   GLY  22          2HA       GLY  22 -19.806 -10.208   5.227
  136   2HA   GLY  22          1HA       GLY  22 -19.097 -11.312   4.084
  137    H    TYR  23           H        TYR  23 -19.833  -7.954   4.036
  138    HA   TYR  23           HA       TYR  23 -18.036  -6.661   2.500
  139   1HB   TYR  23          2HB       TYR  23 -18.622  -5.606   5.277
  140   2HB   TYR  23          1HB       TYR  23 -18.355  -4.680   3.807
  141    HD1  TYR  23           1HD      TYR  23 -20.786  -5.758   5.925
  142    HD2  TYR  23           2HD      TYR  23 -20.042  -5.557   1.760
  143    HE1  TYR  23           1HE      TYR  23 -23.202  -5.891   5.497
  144    HE2  TYR  23           2HE      TYR  23 -22.454  -5.688   1.319
  145    HH   TYR  23           HH       TYR  23 -24.774  -5.232   3.700
  146    H    GLU  24           H        GLU  24 -16.088  -5.388   2.848
  147    HA   GLU  24           HA       GLU  24 -14.292  -6.427   4.952
  148   1HB   GLU  24          2HB       GLU  24 -13.989  -7.920   3.084
  149   2HB   GLU  24          1HB       GLU  24 -13.797  -6.573   1.982
  150   1HG   GLU  24          2HG       GLU  24 -11.654  -5.983   2.977
  151   2HG   GLU  24          1HG       GLU  24 -11.855  -7.180   4.248
  152    H    CYS  25           H        CYS  25 -12.273  -5.484   4.985
  153    HA   CYS  25           HA       CYS  25 -12.251  -2.616   4.541
  154   1HB   CYS  25          2HB       CYS  25 -12.381  -3.196   6.907
  155   2HB   CYS  25          1HB       CYS  25 -11.020  -4.279   6.742
  156    H    LEU  26           H        LEU  26 -11.181  -2.831   2.449
  157    HA   LEU  26           HA       LEU  26  -8.613  -4.214   2.304
  158   1HB   LEU  26          2HB       LEU  26  -9.849  -2.316   0.292
  159   2HB   LEU  26          1HB       LEU  26  -8.598  -3.464   0.025
  160    HG   LEU  26           HG       LEU  26 -11.396  -4.310   0.752
  161   1HD1  LEU  26          1HD1      LEU  26 -11.285  -3.244  -1.519
  162   2HD1  LEU  26          2HD1      LEU  26 -11.529  -4.969  -1.685
  163   3HD1  LEU  26          3HD1      LEU  26  -9.941  -4.285  -1.950
  164   1HD2  LEU  26          1HD2      LEU  26  -9.656  -5.945   1.396
  165   2HD2  LEU  26          2HD2      LEU  26  -9.004  -5.904  -0.236
  166   3HD2  LEU  26          3HD2      LEU  26 -10.614  -6.538   0.052
  167    H    CYS  27           H        CYS  27  -7.149  -2.618   0.775
  168    HA   CYS  27           HA       CYS  27  -6.311  -0.431   2.553
  169   1HB   CYS  27          2HB       CYS  27  -4.818  -2.065   0.519
  170   2HB   CYS  27          1HB       CYS  27  -4.126  -0.816   1.522
  171    HA   PRO  28           HA       PRO  28  -7.354   2.431  -0.721
  172   1HB   PRO  28          2HB       PRO  28  -6.431   4.686   0.482
  173   2HB   PRO  28          1HB       PRO  28  -7.881   3.870   0.963
  174   1HG   PRO  28          2HG       PRO  28  -5.239   3.861   2.284
  175   2HG   PRO  28          1HG       PRO  28  -6.858   3.813   2.988
  176   1HD   PRO  28          2HD       PRO  28  -5.188   1.617   2.650
  177   2HD   PRO  28          1HD       PRO  28  -6.937   1.568   2.935
  178    H    ASP  29           H        ASP  29  -4.342   3.007   0.898
  179    HA   ASP  29           HA       ASP  29  -2.962   4.044  -1.438
  180   1HB   ASP  29          2HB       ASP  29  -1.103   4.341   0.119
  181   2HB   ASP  29          1HB       ASP  29  -2.580   4.888   0.867
  182    H    GLY  30           H        GLY  30  -0.577   3.253  -1.515
  183   1HA   GLY  30          2HA       GLY  30  -0.393   0.995  -3.064
  184   2HA   GLY  30          1HA       GLY  30   0.969   1.708  -2.235
  185    H    PHE  31           H        PHE  31  -0.180   1.045   0.439
  186    HA   PHE  31           HA       PHE  31   1.139  -1.407   0.885
  187   1HB   PHE  31          2HB       PHE  31  -0.999   0.032   2.481
  188   2HB   PHE  31          1HB       PHE  31  -0.113  -1.336   3.082
  189    HD1  PHE  31           1HD      PHE  31   2.108   0.520   0.968
  190    HD2  PHE  31           2HD      PHE  31   0.374   0.560   4.876
  191    HE1  PHE  31           1HE      PHE  31   3.910   1.912   1.744
  192    HE2  PHE  31           2HE      PHE  31   2.222   1.972   5.644
  193    HZ   PHE  31           HZ       PHE  31   4.001   2.635   4.060
  194    H    GLN  32           H        GLN  32   0.216  -3.261   1.938
  195    HA   GLN  32           HA       GLN  32  -2.129  -4.312   0.395
  196   1HB   GLN  32          2HB       GLN  32   0.055  -5.359  -0.199
  197   2HB   GLN  32          1HB       GLN  32   0.314  -5.778   1.479
  198   1HG   GLN  32          2HG       GLN  32  -0.525  -7.726   0.180
  199   2HG   GLN  32          1HG       GLN  32  -1.664  -7.291   1.439
  200   1HE2  GLN  32          1HE2      GLN  32  -1.029  -6.213  -1.960
  201   2HE2  GLN  32          2HE2      GLN  32  -2.657  -6.285  -2.437
  202    H    LEU  33           H        LEU  33  -3.526  -5.741   1.459
  203    HA   LEU  33           HA       LEU  33  -3.848  -5.122   4.325
  204   1HB   LEU  33          2HB       LEU  33  -5.776  -5.305   2.504
  205   2HB   LEU  33          1HB       LEU  33  -5.576  -7.035   2.669
  206    HG   LEU  33           HG       LEU  33  -5.790  -6.582   5.256
  207   1HD1  LEU  33          1HD1      LEU  33  -6.931  -4.006   4.129
  208   2HD1  LEU  33          2HD1      LEU  33  -5.491  -4.133   5.119
  209   3HD1  LEU  33          3HD1      LEU  33  -7.060  -4.514   5.800
  210   1HD2  LEU  33          1HD2      LEU  33  -8.240  -6.205   3.523
  211   2HD2  LEU  33          2HD2      LEU  33  -8.222  -6.656   5.224
  212   3HD2  LEU  33          3HD2      LEU  33  -7.547  -7.746   4.025
  213    H    VAL  34           H        VAL  34  -1.538  -6.382   4.019
  214    HA   VAL  34           HA       VAL  34  -1.730  -9.280   4.170
  215    HB   VAL  34           HB       VAL  34   0.207  -8.159   3.157
  216   1HG1  VAL  34          1HG1      VAL  34   0.761  -7.119   5.954
  217   2HG1  VAL  34          2HG1      VAL  34   0.259  -6.151   4.574
  218   3HG1  VAL  34          3HG1      VAL  34   1.825  -6.948   4.565
  219   1HG2  VAL  34          1HG2      VAL  34   0.949  -9.690   5.690
  220   2HG2  VAL  34          2HG2      VAL  34   2.002  -9.427   4.311
  221   3HG2  VAL  34          3HG2      VAL  34   0.556 -10.405   4.134
  222    H    ALA  35           H        ALA  35  -1.547  -6.599   6.387
  223    HA   ALA  35           HA       ALA  35  -1.097  -8.229   8.689
  224   1HB   ALA  35          1HB       ALA  35  -1.269  -6.017   9.880
  225   2HB   ALA  35          2HB       ALA  35  -1.741  -5.293   8.346
  226   3HB   ALA  35          3HB       ALA  35  -0.145  -5.986   8.531
  227    H    GLN  36           H        GLN  36  -3.304  -9.070   7.348
  228    HA   GLN  36           HA       GLN  36  -5.400  -9.906   7.677
  229   1HB   GLN  36          2HB       GLN  36  -5.163  -8.702  10.478
  230   2HB   GLN  36          1HB       GLN  36  -6.380  -9.845   9.955
  231   1HG   GLN  36          2HG       GLN  36  -4.642 -11.525   9.436
  232   2HG   GLN  36          1HG       GLN  36  -3.378 -10.388   9.894
  233   1HE2  GLN  36          1HE2      GLN  36  -3.169  -9.832  12.169
  234   2HE2  GLN  36          2HE2      GLN  36  -3.883 -10.787  13.377
  235    H    ARG  37           H        ARG  37  -5.852  -6.952   9.631
  236    HA   ARG  37           HA       ARG  37  -8.026  -6.166   7.713
  237   1HB   ARG  37          2HB       ARG  37  -7.935  -5.697  10.712
  238   2HB   ARG  37          1HB       ARG  37  -9.245  -5.217   9.658
  239   1HG   ARG  37          2HG       ARG  37  -8.330  -8.043  10.335
  240   2HG   ARG  37          1HG       ARG  37  -9.795  -7.267  10.890
  241   1HD   ARG  37          2HD       ARG  37  -9.159  -7.948   8.005
  242   2HD   ARG  37          1HD       ARG  37 -10.283  -8.800   9.060
  243    HE   ARG  37           HE       ARG  37 -11.086  -6.094   9.019
  244   1HH1  ARG  37          2HH1      ARG  37 -10.747  -8.782   6.863
  245   2HH1  ARG  37          1HH1      ARG  37 -12.041  -8.274   5.831
  246   1HH2  ARG  37          1HH2      ARG  37 -12.732  -5.418   7.719
  247   2HH2  ARG  37          2HH2      ARG  37 -13.177  -6.339   6.322
  248    H    ARG  38           H        ARG  38  -5.176  -5.141   9.323
  249    HA   ARG  38           HA       ARG  38  -5.686  -2.299   8.653
  250   1HB   ARG  38          2HB       ARG  38  -3.729  -1.901  10.068
  251   2HB   ARG  38          1HB       ARG  38  -4.934  -2.792  10.961
  252   1HG   ARG  38          2HG       ARG  38  -3.627  -4.897  10.471
  253   2HG   ARG  38          1HG       ARG  38  -2.422  -3.905   9.660
  254   1HD   ARG  38          2HD       ARG  38  -1.704  -4.422  11.948
  255   2HD   ARG  38          1HD       ARG  38  -1.980  -2.690  11.781
  256    HE   ARG  38           HE       ARG  38  -4.416  -3.623  12.667
  257   1HH1  ARG  38          2HH1      ARG  38  -1.139  -3.966  13.761
  258   2HH1  ARG  38          1HH1      ARG  38  -1.593  -4.120  15.423
  259   1HH2  ARG  38          1HH2      ARG  38  -5.008  -3.812  14.770
  260   2HH2  ARG  38          2HH2      ARG  38  -3.811  -4.030  16.003
  261    H    CYS  39           H        CYS  39  -4.166  -1.225   7.340
  262    HA   CYS  39           HA       CYS  39  -2.884  -2.983   5.347
  263   1HB   CYS  39          2HB       CYS  39  -3.565  -0.063   5.333
  264   2HB   CYS  39          1HB       CYS  39  -2.858  -0.936   3.984
  265    H    GLU  40           H        GLU  40  -0.897  -3.117   4.839
  266    HA   GLU  40           HA       GLU  40   1.148  -1.188   5.601
  267   1HB   GLU  40          2HB       GLU  40   0.810  -2.497   7.706
  268   2HB   GLU  40          1HB       GLU  40   1.195  -3.967   6.827
  269   1HG   GLU  40          2HG       GLU  40   3.446  -3.046   6.279
  270   2HG   GLU  40          1HG       GLU  40   3.054  -1.568   7.140
  271    H    ASP  41           H        ASP  41   3.126  -1.578   4.585
  272    HA   ASP  41           HA       ASP  41   3.050  -3.450   2.290
  273   1HB   ASP  41          2HB       ASP  41   3.345  -1.110   1.817
  274   2HB   ASP  41          1HB       ASP  41   4.733  -0.988   2.871
  275    H    ILE  42           H        ILE  42   5.017  -4.498   1.762
  276    HA   ILE  42           HA       ILE  42   6.175  -5.853   3.953
  277    HB   ILE  42           HB       ILE  42   7.093  -5.684   1.034
  278   1HG1  ILE  42          2HG1      ILE  42   5.293  -7.705   2.467
  279   2HG1  ILE  42          1HG1      ILE  42   4.727  -6.480   1.354
  280   1HG2  ILE  42          1HG2      ILE  42   7.766  -7.767   3.175
  281   2HG2  ILE  42          2HG2      ILE  42   8.893  -6.588   2.530
  282   3HG2  ILE  42          3HG2      ILE  42   8.272  -7.849   1.498
  283   1HD1  ILE  42          1HD1      ILE  42   4.895  -8.649   0.220
  284   2HD1  ILE  42          2HD1      ILE  42   6.596  -8.772   0.617
  285   3HD1  ILE  42          3HD1      ILE  42   6.040  -7.516  -0.479
  286    H    ASP  43           H        ASP  43   8.452  -5.755   4.640
  287    HA   ASP  43           HA       ASP  43   9.596  -3.001   4.398
  288   1HB   ASP  43          2HB       ASP  43   9.135  -4.044   6.683
  289   2HB   ASP  43          1HB       ASP  43  10.372  -5.235   6.328
  290    H    GLU  44           H        GLU  44  10.885  -2.890   2.780
  291    HA   GLU  44           HA       GLU  44  12.218  -5.100   1.530
  292   1HB   GLU  44          2HB       GLU  44  12.837  -2.156   1.228
  293   2HB   GLU  44          1HB       GLU  44  13.207  -3.432   0.097
  294   1HG   GLU  44          2HG       GLU  44  11.374  -2.257  -0.722
  295   2HG   GLU  44          1HG       GLU  44  10.734  -3.813  -0.250
  296    H    CYS  45           H        CYS  45  13.118  -2.822   4.036
  297    HA   CYS  45           HA       CYS  45  15.914  -3.165   3.755
  298   1HB   CYS  45          2HB       CYS  45  14.255  -2.214   6.105
  299   2HB   CYS  45          1HB       CYS  45  15.968  -2.227   6.080
  300    H    GLN  46           H        GLN  46  13.880  -4.102   6.381
  301    HA   GLN  46           HA       GLN  46  15.437  -5.875   7.777
  302   1HB   GLN  46          2HB       GLN  46  12.447  -6.032   7.250
  303   2HB   GLN  46          1HB       GLN  46  13.271  -6.891   8.533
  304   1HG   GLN  46          2HG       GLN  46  14.031  -4.744   9.521
  305   2HG   GLN  46          1HG       GLN  46  13.238  -3.850   8.238
  306   1HE2  GLN  46          1HE2      GLN  46  12.731  -4.009  11.257
  307   2HE2  GLN  46          2HE2      GLN  46  11.073  -4.346  11.382
  308    H    ASP  47           H        ASP  47  13.292  -6.674   5.107
  309    HA   ASP  47           HA       ASP  47  14.098  -9.409   5.003
  310   1HB   ASP  47          2HB       ASP  47  11.805  -8.729   4.321
  311   2HB   ASP  47          1HB       ASP  47  12.473  -7.718   3.051
  312    HA   PRO  48           HA       PRO  48  17.707  -8.537   2.494
  313   1HB   PRO  48          2HB       PRO  48  18.012 -10.968   1.210
  314   2HB   PRO  48          1HB       PRO  48  18.470 -10.706   2.874
  315   1HG   PRO  48          2HG       PRO  48  15.945 -11.910   1.812
  316   2HG   PRO  48          1HG       PRO  48  16.965 -12.451   3.157
  317   1HD   PRO  48          2HD       PRO  48  14.697 -11.106   3.575
  318   2HD   PRO  48          1HD       PRO  48  16.113 -10.864   4.611
  319    H    ASP  49           H        ASP  49  16.710  -6.985   1.234
  320    HA   ASP  49           HA       ASP  49  16.096  -7.810  -1.540
  321   1HB   ASP  49          2HB       ASP  49  13.921  -7.609  -0.405
  322   2HB   ASP  49          1HB       ASP  49  14.367  -6.031   0.209
  323    H    THR  50           H        THR  50  16.852  -5.202   0.704
  324    HA   THR  50           HA       THR  50  17.572  -3.351  -1.423
  325    HB   THR  50           HB       THR  50  18.113  -1.883   0.619
  326    HG1  THR  50           1HG      THR  50  17.718  -2.797   2.582
  327   1HG2  THR  50          1HG2      THR  50  15.737  -1.754   1.366
  328   2HG2  THR  50          2HG2      THR  50  15.423  -3.340   0.683
  329   3HG2  THR  50          3HG2      THR  50  15.786  -1.995  -0.372
  330    H    CYS  51           H        CYS  51  19.721  -3.191   1.237
  331    HA   CYS  51           HA       CYS  51  21.933  -4.207  -0.472
  332   1HB   CYS  51          2HB       CYS  51  21.719  -1.922   1.458
  333   2HB   CYS  51          1HB       CYS  51  23.222  -2.467   0.785
  334    H    SER  52           H        SER  52  23.988  -4.487   0.906
  335    HA   SER  52           HA       SER  52  23.874  -6.871   2.263
  336   1HB   SER  52          2HB       SER  52  25.951  -5.920   1.371
  337   2HB   SER  52          1HB       SER  52  25.912  -4.635   2.583
  338    HG   SER  52           HG       SER  52  26.724  -5.991   3.940
  339    H    GLN  53           H        GLN  53  24.279  -3.784   3.937
  340    HA   GLN  53           HA       GLN  53  23.231  -5.103   6.418
  341   1HB   GLN  53          2HB       GLN  53  25.259  -2.881   6.131
  342   2HB   GLN  53          1HB       GLN  53  24.642  -3.457   7.671
  343   1HG   GLN  53          2HG       GLN  53  26.098  -5.155   5.628
  344   2HG   GLN  53          1HG       GLN  53  26.818  -4.489   7.085
  345   1HE2  GLN  53          1HE2      GLN  53  25.119  -7.166   5.799
  346   2HE2  GLN  53          2HE2      GLN  53  24.750  -7.939   7.265
  347    H    LEU  54           H        LEU  54  23.762  -1.736   6.740
  348    HA   LEU  54           HA       LEU  54  21.119  -1.320   7.534
  349   1HB   LEU  54          2HB       LEU  54  23.174   0.688   6.632
  350   2HB   LEU  54          1HB       LEU  54  21.664   1.078   7.425
  351    HG   LEU  54           HG       LEU  54  24.015  -0.383   8.623
  352   1HD1  LEU  54          1HD1      LEU  54  24.022   2.103   8.428
  353   2HD1  LEU  54          2HD1      LEU  54  23.864   1.606  10.114
  354   3HD1  LEU  54          3HD1      LEU  54  22.456   2.154   9.209
  355   1HD2  LEU  54          1HD2      LEU  54  21.263   0.156   9.837
  356   2HD2  LEU  54          2HD2      LEU  54  22.646  -0.531  10.680
  357   3HD2  LEU  54          3HD2      LEU  54  21.855  -1.444   9.409
  358    H    CYS  55           H        CYS  55  19.764   0.095   7.025
  359    HA   CYS  55           HA       CYS  55  19.241   1.068   4.320
  360   1HB   CYS  55          2HB       CYS  55  18.751  -1.355   4.104
  361   2HB   CYS  55          1HB       CYS  55  17.696  -1.294   5.452
  362    H    VAL  56           H        VAL  56  16.665   1.637   4.371
  363    HA   VAL  56           HA       VAL  56  15.711   2.566   6.965
  364    HB   VAL  56           HB       VAL  56  17.328   4.346   6.463
  365   1HG1  VAL  56          1HG1      VAL  56  17.555   4.132   4.017
  366   2HG1  VAL  56          2HG1      VAL  56  17.202   5.786   4.464
  367   3HG1  VAL  56          3HG1      VAL  56  15.944   4.786   3.777
  368   1HG2  VAL  56          1HG2      VAL  56  15.235   5.064   7.506
  369   2HG2  VAL  56          2HG2      VAL  56  14.490   5.299   5.935
  370   3HG2  VAL  56          3HG2      VAL  56  15.823   6.323   6.436
  371    H    ASN  57           H        ASN  57  13.952   1.467   6.636
  372    HA   ASN  57           HA       ASN  57  12.350   1.603   4.193
  373   1HB   ASN  57          2HB       ASN  57  12.596  -0.541   5.448
  374   2HB   ASN  57          1HB       ASN  57  11.818   0.209   6.834
  375   1HD2  ASN  57          1HD2      ASN  57   9.837  -0.862   6.961
  376   2HD2  ASN  57          2HD2      ASN  57   8.732  -0.979   5.678
  377    H    LEU  58           H        LEU  58  10.176   1.979   4.229
  378    HA   LEU  58           HA       LEU  58   8.592   3.370   6.141
  379   1HB   LEU  58          2HB       LEU  58   8.549   5.650   5.222
  380   2HB   LEU  58          1HB       LEU  58  10.164   5.274   5.715
  381    HG   LEU  58           HG       LEU  58   9.301   5.060   2.798
  382   1HD1  LEU  58          1HD1      LEU  58  10.716   7.342   4.270
  383   2HD1  LEU  58          2HD1      LEU  58   9.068   7.410   3.660
  384   3HD1  LEU  58          3HD1      LEU  58  10.412   7.271   2.539
  385   1HD2  LEU  58          1HD2      LEU  58  11.366   3.827   3.443
  386   2HD2  LEU  58          2HD2      LEU  58  12.010   5.291   4.171
  387   3HD2  LEU  58          3HD2      LEU  58  11.746   5.209   2.443
  388    H    GLU  59           H        GLU  59   7.251   4.939   4.266
  389    HA   GLU  59           HA       GLU  59   5.533   2.972   3.103
  390   1HB   GLU  59          2HB       GLU  59   4.717   5.235   3.982
  391   2HB   GLU  59          1HB       GLU  59   5.615   6.028   2.706
  392   1HG   GLU  59          2HG       GLU  59   4.104   4.920   0.987
  393   2HG   GLU  59          1HG       GLU  59   3.225   4.153   2.288
  394    H    GLY  60           H        GLY  60   6.780   1.821   2.034
  395   1HA   GLY  60          2HA       GLY  60   7.650   0.880   0.178
  396   2HA   GLY  60          1HA       GLY  60   6.523   1.922  -0.684
  397    H    GLY  61           H        GLY  61   8.388   3.978   0.968
  398   1HA   GLY  61          2HA       GLY  61  10.043   4.716  -1.347
  399   2HA   GLY  61          1HA       GLY  61   9.823   5.647   0.127
  400    H    TYR  62           H        TYR  62  10.611   2.604   0.919
  401    HA   TYR  62           HA       TYR  62  12.858   2.899   2.374
  402   1HB   TYR  62          2HB       TYR  62  13.378   0.547   2.066
  403   2HB   TYR  62          1HB       TYR  62  11.634   0.760   1.992
  404    HD1  TYR  62           1HD      TYR  62  10.513   0.830  -0.337
  405    HD2  TYR  62           2HD      TYR  62  14.612  -0.158   0.187
  406    HE1  TYR  62           1HE      TYR  62  10.600  -0.063  -2.617
  407    HE2  TYR  62           2HE      TYR  62  14.706  -1.056  -2.076
  408    HH   TYR  62           HH       TYR  62  13.339  -0.623  -4.283
  409    H    LYS  63           H        LYS  63  15.072   3.028   2.270
  410    HA   LYS  63           HA       LYS  63  16.380   2.885  -0.358
  411   1HB   LYS  63          2HB       LYS  63  16.735   5.068   1.685
  412   2HB   LYS  63          1HB       LYS  63  17.620   4.841   0.229
  413   1HG   LYS  63          2HG       LYS  63  15.531   5.160  -1.131
  414   2HG   LYS  63          1HG       LYS  63  14.637   5.395   0.364
  415   1HD   LYS  63          2HD       LYS  63  15.981   7.389   0.908
  416   2HD   LYS  63          1HD       LYS  63  16.915   7.177  -0.565
  417   1HE   LYS  63          2HE       LYS  63  14.827   7.443  -1.917
  418   2HE   LYS  63          1HE       LYS  63  13.906   7.670  -0.436
  419   1HZ   LYS  63          1HZ       LYS  63  16.086   9.396  -1.447
  420   2HZ   LYS  63          2HZ       LYS  63  15.331   9.588   0.061
  421   3HZ   LYS  63          3HZ       LYS  63  14.431   9.774  -1.369
  422    H    CYS  64           H        CYS  64  18.592   2.627  -0.170
  423    HA   CYS  64           HA       CYS  64  19.412   0.878   2.020
  424   1HB   CYS  64          2HB       CYS  64  20.762   1.825  -0.481
  425   2HB   CYS  64          1HB       CYS  64  21.587   0.859   0.684
  426    H    GLN  65           H        GLN  65  21.542   1.023   2.853
  427    HA   GLN  65           HA       GLN  65  22.812   3.644   3.373
  428   1HB   GLN  65          2HB       GLN  65  21.729   1.887   5.578
  429   2HB   GLN  65          1HB       GLN  65  22.695   3.318   5.839
  430   1HG   GLN  65          2HG       GLN  65  20.879   4.688   4.735
  431   2HG   GLN  65          1HG       GLN  65  19.881   3.243   4.672
  432   1HE2  GLN  65          1HE2      GLN  65  19.436   5.752   6.218
  433   2HE2  GLN  65          2HE2      GLN  65  19.294   5.269   7.840
  434    H    CYS  66           H        CYS  66  24.381   2.621   5.471
  435    HA   CYS  66           HA       CYS  66  25.679   0.184   4.475
  436   1HB   CYS  66          2HB       CYS  66  26.999   2.816   4.803
  437   2HB   CYS  66          1HB       CYS  66  27.748   1.364   4.447
  438    H    GLU  67           H        GLU  67  27.157  -0.665   5.739
  439    HA   GLU  67           HA       GLU  67  26.821  -0.159   8.640
  440   1HB   GLU  67          2HB       GLU  67  26.773  -2.473   7.575
  441   2HB   GLU  67          1HB       GLU  67  28.484  -2.325   7.256
  442   1HG   GLU  67          2HG       GLU  67  27.143  -2.314  10.001
  443   2HG   GLU  67          1HG       GLU  67  28.062  -3.635   9.324
  444    H    GLU  68           H        GLU  68  27.850   1.955   8.204
  445    HA   GLU  68           HA       GLU  68  29.593   3.454   8.302
  446   1HB   GLU  68          2HB       GLU  68  30.821   1.128   9.809
  447   2HB   GLU  68          1HB       GLU  68  31.446   2.758   9.845
  448   1HG   GLU  68          2HG       GLU  68  29.246   3.555  10.762
  449   2HG   GLU  68          1HG       GLU  68  28.628   1.911  10.696
  450    H    GLY  69           H        GLY  69  31.693   0.673   8.095
  451   1HA   GLY  69          2HA       GLY  69  33.674   1.895   6.528
  452   2HA   GLY  69          1HA       GLY  69  33.604   0.203   6.943
  453    H    PHE  70           H        PHE  70  30.785   0.537   5.441
  454    HA   PHE  70           HA       PHE  70  31.801  -0.653   3.081
  455   1HB   PHE  70          2HB       PHE  70  29.066   0.339   3.735
  456   2HB   PHE  70          1HB       PHE  70  29.440  -0.550   2.297
  457    HD1  PHE  70           1HD      PHE  70  27.423  -1.820   3.202
  458    HD2  PHE  70           2HD      PHE  70  31.273  -1.943   5.026
  459    HE1  PHE  70           1HE      PHE  70  26.854  -3.909   4.286
  460    HE2  PHE  70           2HE      PHE  70  30.697  -4.056   6.115
  461    HZ   PHE  70           HZ       PHE  70  28.486  -5.057   5.746
  462    H    GLN  71           H        GLN  71  31.188   0.008   0.894
  463    HA   GLN  71           HA       GLN  71  30.933   2.866   0.376
  464   1HB   GLN  71          2HB       GLN  71  33.176   1.025  -0.327
  465   2HB   GLN  71          1HB       GLN  71  32.702   2.149  -1.551
  466   1HG   GLN  71          2HG       GLN  71  33.452   2.930   1.318
  467   2HG   GLN  71          1HG       GLN  71  34.514   3.103  -0.078
  468   1HE2  GLN  71          1HE2      GLN  71  33.747   5.393   1.380
  469   2HE2  GLN  71          2HE2      GLN  71  32.713   6.346   0.426
  470    H    LEU  72           H        LEU  72  30.862   3.144  -2.027
  471    HA   LEU  72           HA       LEU  72  28.514   1.613  -2.906
  472   1HB   LEU  72          2HB       LEU  72  28.673   4.043  -3.340
  473   2HB   LEU  72          1HB       LEU  72  30.071   3.779  -4.361
  474    HG   LEU  72           HG       LEU  72  28.671   2.325  -5.875
  475   1HD1  LEU  72          1HD1      LEU  72  26.945   1.567  -4.247
  476   2HD1  LEU  72          2HD1      LEU  72  26.205   2.324  -5.639
  477   3HD1  LEU  72          3HD1      LEU  72  26.334   3.208  -4.129
  478   1HD2  LEU  72          1HD2      LEU  72  27.535   5.104  -5.373
  479   2HD2  LEU  72          2HD2      LEU  72  27.345   4.179  -6.857
  480   3HD2  LEU  72          3HD2      LEU  72  28.938   4.735  -6.367
  481    H    ASP  73           H        ASP  73  28.873  -0.335  -3.563
  482    HA   ASP  73           HA       ASP  73  31.258  -1.205  -5.006
  483   1HB   ASP  73          2HB       ASP  73  30.042  -2.621  -3.358
  484   2HB   ASP  73          1HB       ASP  73  28.644  -2.663  -4.406
  485    HA   PRO  74           HA       PRO  74  29.228  -0.026  -8.876
  486   1HB   PRO  74          2HB       PRO  74  31.216  -0.586 -10.590
  487   2HB   PRO  74          1HB       PRO  74  31.353   0.755  -9.474
  488   1HG   PRO  74          2HG       PRO  74  32.473  -2.007  -9.188
  489   2HG   PRO  74          1HG       PRO  74  33.260  -0.438  -8.939
  490   1HD   PRO  74          2HD       PRO  74  32.283  -1.915  -6.887
  491   2HD   PRO  74          1HD       PRO  74  32.328  -0.142  -6.856
  492    H    HIS  75           H        HIS  75  28.639  -1.038 -10.859
  493    HA   HIS  75           HA       HIS  75  27.658  -2.728 -12.131
  494   1HB   HIS  75          2HB       HIS  75  29.798  -4.489 -10.839
  495   2HB   HIS  75          1HB       HIS  75  28.873  -4.876 -12.281
  496    HD1  HIS  75           1HD      HIS  75  31.646  -2.728 -11.160
  497    HD2  HIS  75           2HD      HIS  75  29.584  -3.386 -14.622
  498    HE1  HIS  75           1HE      HIS  75  32.935  -1.629 -12.956
  499    H    THR  76           H        THR  76  27.429  -2.572  -8.974
  500    HA   THR  76           HA       THR  76  25.321  -4.655  -8.706
  501    HB   THR  76           HB       THR  76  26.143  -4.995  -6.307
  502    HG1  THR  76           1HG      THR  76  28.108  -4.052  -5.824
  503   1HG2  THR  76          1HG2      THR  76  28.238  -6.256  -6.844
  504   2HG2  THR  76          2HG2      THR  76  28.423  -5.380  -8.353
  505   3HG2  THR  76          3HG2      THR  76  27.114  -6.534  -8.165
  506    H    LYS  77           H        LYS  77  26.820  -1.786  -7.654
  507    HA   LYS  77           HA       LYS  77  26.090   0.277  -6.866
  508   1HB   LYS  77          2HB       LYS  77  23.464  -0.743  -7.652
  509   2HB   LYS  77          1HB       LYS  77  23.775   0.928  -7.259
  510   1HG   LYS  77          2HG       LYS  77  25.504   1.004  -9.091
  511   2HG   LYS  77          1HG       LYS  77  25.101  -0.647  -9.530
  512   1HD   LYS  77          2HD       LYS  77  22.767   0.057 -10.041
  513   2HD   LYS  77          1HD       LYS  77  23.176   1.712  -9.618
  514   1HE   LYS  77          2HE       LYS  77  24.917   1.735 -11.416
  515   2HE   LYS  77          1HE       LYS  77  24.489   0.083 -11.841
  516   1HZ   LYS  77          1HZ       LYS  77  23.344   1.449 -13.314
  517   2HZ   LYS  77          2HZ       LYS  77  22.837   2.514 -12.092
  518   3HZ   LYS  77          3HZ       LYS  77  22.176   0.952 -12.185
  519    H    ALA  78           H        ALA  78  25.609  -2.504  -5.344
  520    HA   ALA  78           HA       ALA  78  23.893  -1.582  -3.116
  521   1HB   ALA  78          1HB       ALA  78  23.773  -3.956  -3.915
  522   2HB   ALA  78          2HB       ALA  78  24.292  -3.882  -2.237
  523   3HB   ALA  78          3HB       ALA  78  25.470  -4.169  -3.511
  524    H    CYS  79           H        CYS  79  24.868  -1.742  -0.834
  525    HA   CYS  79           HA       CYS  79  27.657  -0.651  -0.951
  526   1HB   CYS  79          2HB       CYS  79  25.692   0.570   0.306
  527   2HB   CYS  79          1HB       CYS  79  25.965  -0.652   1.532
  528    H    LYS  80           H        LYS  80  29.265  -1.562   0.161
  529    HA   LYS  80           HA       LYS  80  28.864  -3.745   2.063
  530   1HB   LYS  80          2HB       LYS  80  30.095  -5.382   0.887
  531   2HB   LYS  80          1HB       LYS  80  28.599  -5.034   0.062
  532   1HG   LYS  80          2HG       LYS  80  30.242  -5.337  -1.671
  533   2HG   LYS  80          1HG       LYS  80  29.884  -3.629  -1.597
  534   1HD   LYS  80          2HD       LYS  80  31.998  -3.172  -0.441
  535   2HD   LYS  80          1HD       LYS  80  32.321  -4.888  -0.261
  536   1HE   LYS  80          2HE       LYS  80  32.498  -5.011  -2.757
  537   2HE   LYS  80          1HE       LYS  80  32.138  -3.289  -2.856
  538   1HZ   LYS  80          1HZ       LYS  80  34.532  -4.630  -1.836
  539   2HZ   LYS  80          2HZ       LYS  80  34.108  -3.109  -1.212
  540   3HZ   LYS  80          3HZ       LYS  80  34.397  -3.293  -2.876
  541    H    ALA  81           H        ALA  81  31.042  -4.580   2.812
  542    HA   ALA  81           HA       ALA  81  32.735  -2.684   3.840
  543   1HB   ALA  81          1HB       ALA  81  32.825  -5.057   4.445
  544   2HB   ALA  81          2HB       ALA  81  34.434  -4.482   4.040
  545   3HB   ALA  81          3HB       ALA  81  33.530  -5.452   2.885
  546    H    VAL  82           H        VAL  82  33.814  -1.075   2.949
  547    HA   VAL  82           HA       VAL  82  34.489  -0.640   0.334
  548    HB   VAL  82           HB       VAL  82  34.689   1.055   2.110
  549   1HG1  VAL  82          1HG1      VAL  82  37.181  -0.484   2.993
  550   2HG1  VAL  82          2HG1      VAL  82  35.683  -0.418   3.890
  551   3HG1  VAL  82          3HG1      VAL  82  36.629   1.040   3.669
  552   1HG2  VAL  82          1HG2      VAL  82  35.957   1.462   0.017
  553   2HG2  VAL  82          2HG2      VAL  82  37.352   0.634   0.682
  554   3HG2  VAL  82          3HG2      VAL  82  36.804   2.137   1.398
  Start of MODEL   20
    1    H    GLY   1           H        GLY   1 -18.330  -2.315  -2.888
    2   1HA   GLY   1          2HA       GLY   1 -19.651  -1.800  -5.470
    3   2HA   GLY   1          1HA       GLY   1 -19.774  -3.447  -4.848
    4    H    THR   2           H        THR   2 -22.022  -2.245  -5.243
    5    HA   THR   2           HA       THR   2 -24.007  -1.308  -4.410
    6    HB   THR   2           HB       THR   2 -23.847  -3.709  -3.809
    7    HG1  THR   2           1HG      THR   2 -25.578  -3.548  -2.416
    8   1HG2  THR   2          1HG2      THR   2 -22.059  -3.530  -2.031
    9   2HG2  THR   2          2HG2      THR   2 -23.531  -4.273  -1.428
   10   3HG2  THR   2          3HG2      THR   2 -23.189  -2.582  -1.076
   11    H    ASN   3           H        ASN   3 -24.879  -1.017  -1.782
   12    HA   ASN   3           HA       ASN   3 -23.745   1.602  -1.213
   13   1HB   ASN   3          2HB       ASN   3 -26.260   1.145  -1.205
   14   2HB   ASN   3          1HB       ASN   3 -26.044   0.046   0.142
   15   1HD2  ASN   3          1HD2      ASN   3 -25.468   3.488  -0.729
   16   2HD2  ASN   3          2HD2      ASN   3 -25.804   4.095   0.821
   17    H    GLU   4           H        GLU   4 -22.148  -0.626  -0.662
   18    HA   GLU   4           HA       GLU   4 -21.713  -0.552   2.259
   19   1HB   GLU   4          2HB       GLU   4 -20.412  -2.049  -0.059
   20   2HB   GLU   4          1HB       GLU   4 -19.842  -2.169   1.588
   21   1HG   GLU   4          2HG       GLU   4 -21.961  -3.080   2.342
   22   2HG   GLU   4          1HG       GLU   4 -22.748  -2.760   0.826
   23    H    CYS   5           H        CYS   5 -20.365   0.480  -0.819
   24    HA   CYS   5           HA       CYS   5 -18.085   1.719   0.365
   25   1HB   CYS   5          2HB       CYS   5 -19.284   1.894  -2.408
   26   2HB   CYS   5          1HB       CYS   5 -17.754   2.587  -1.975
   27    H    LEU   6           H        LEU   6 -21.127   2.617  -1.032
   28    HA   LEU   6           HA       LEU   6 -21.038   5.387  -1.005
   29   1HB   LEU   6          2HB       LEU   6 -23.374   3.550  -0.497
   30   2HB   LEU   6          1HB       LEU   6 -23.512   5.214  -0.993
   31    HG   LEU   6           HG       LEU   6 -22.216   2.934  -2.584
   32   1HD1  LEU   6          1HD1      LEU   6 -24.743   4.555  -3.103
   33   2HD1  LEU   6          2HD1      LEU   6 -24.702   2.882  -2.574
   34   3HD1  LEU   6          3HD1      LEU   6 -24.100   3.312  -4.166
   35   1HD2  LEU   6          1HD2      LEU   6 -21.975   4.575  -4.446
   36   2HD2  LEU   6          2HD2      LEU   6 -21.043   5.101  -3.063
   37   3HD2  LEU   6          3HD2      LEU   6 -22.589   5.856  -3.415
   38    H    ASP   7           H        ASP   7 -22.034   3.132   1.465
   39    HA   ASP   7           HA       ASP   7 -22.381   5.289   3.510
   40   1HB   ASP   7          2HB       ASP   7 -24.116   3.386   3.178
   41   2HB   ASP   7          1HB       ASP   7 -22.837   2.292   3.686
   42    H    ASN   8           H        ASN   8 -21.586   3.739   5.674
   43    HA   ASN   8           HA       ASN   8 -18.881   4.231   5.954
   44   1HB   ASN   8          2HB       ASN   8 -20.540   2.140   7.144
   45   2HB   ASN   8          1HB       ASN   8 -18.965   2.548   7.784
   46   1HD2  ASN   8          1HD2      ASN   8 -19.169   3.866   9.581
   47   2HD2  ASN   8          2HD2      ASN   8 -20.351   5.066   9.796
   48    H    ASN   9           H        ASN   9 -17.265   3.407   4.758
   49    HA   ASN   9           HA       ASN   9 -17.237   1.575   2.750
   50   1HB   ASN   9          2HB       ASN   9 -15.411   3.104   3.455
   51   2HB   ASN   9          1HB       ASN   9 -15.017   1.995   4.760
   52   1HD2  ASN   9          1HD2      ASN   9 -14.331  -0.261   4.066
   53   2HD2  ASN   9          2HD2      ASN   9 -13.483  -0.400   2.613
   54    H    GLY  10           H        GLY  10 -18.635  -0.169   3.302
   55   1HA   GLY  10          2HA       GLY  10 -19.116  -2.351   3.911
   56   2HA   GLY  10          1HA       GLY  10 -17.374  -2.566   4.001
   57    H    GLY  11           H        GLY  11 -18.244  -0.100   6.010
   58   1HA   GLY  11          2HA       GLY  11 -19.425  -0.544   8.282
   59   2HA   GLY  11          1HA       GLY  11 -18.154  -1.758   8.477
   60    H    CYS  12           H        CYS  12 -16.141  -0.274   7.106
   61    HA   CYS  12           HA       CYS  12 -15.318   1.622   9.209
   62   1HB   CYS  12          2HB       CYS  12 -13.106   1.255   8.198
   63   2HB   CYS  12          1HB       CYS  12 -13.890  -0.272   8.528
   64    H    SER  13           H        SER  13 -13.455   2.646   6.970
   65    HA   SER  13           HA       SER  13 -15.081   4.156   5.119
   66   1HB   SER  13          2HB       SER  13 -14.577   6.410   6.117
   67   2HB   SER  13          1HB       SER  13 -15.541   5.430   7.228
   68    HG   SER  13           HG       SER  13 -12.720   5.747   7.210
   69    H    HIS  14           H        HIS  14 -13.004   2.375   4.874
   70    HA   HIS  14           HA       HIS  14 -10.681   4.001   3.987
   71   1HB   HIS  14          2HB       HIS  14 -10.856   1.121   4.953
   72   2HB   HIS  14          1HB       HIS  14  -9.406   1.969   4.474
   73    HD1  HIS  14           1HD      HIS  14 -11.379   1.365   7.334
   74    HD2  HIS  14           2HD      HIS  14  -8.937   4.419   6.179
   75    HE1  HIS  14           1HE      HIS  14 -10.861   2.652   9.385
   76    H    VAL  15           H        VAL  15 -10.477   0.809   3.012
   77    HA   VAL  15           HA       VAL  15 -11.300   1.472   0.216
   78    HB   VAL  15           HB       VAL  15  -9.420  -0.681   1.266
   79   1HG1  VAL  15          1HG1      VAL  15 -10.108   0.046  -1.624
   80   2HG1  VAL  15          2HG1      VAL  15 -10.584  -1.432  -0.811
   81   3HG1  VAL  15          3HG1      VAL  15  -8.892  -1.124  -1.133
   82   1HG2  VAL  15          1HG2      VAL  15  -8.854   1.845  -0.321
   83   2HG2  VAL  15          2HG2      VAL  15  -7.664   0.631   0.130
   84   3HG2  VAL  15          3HG2      VAL  15  -8.465   1.581   1.374
   85    H    CYS  16           H        CYS  16 -13.325   0.762  -0.140
   86    HA   CYS  16           HA       CYS  16 -14.428  -1.534   1.272
   87   1HB   CYS  16          2HB       CYS  16 -16.401  -1.042  -0.077
   88   2HB   CYS  16          1HB       CYS  16 -15.842   0.421   0.657
   89    H    ASN  17           H        ASN  17 -12.867  -3.110   0.681
   90    HA   ASN  17           HA       ASN  17 -12.655  -3.814  -2.192
   91   1HB   ASN  17          2HB       ASN  17 -10.600  -3.687  -1.066
   92   2HB   ASN  17          1HB       ASN  17 -11.145  -4.435   0.390
   93   1HD2  ASN  17          1HD2      ASN  17 -10.177  -6.462   0.491
   94   2HD2  ASN  17          2HD2      ASN  17  -9.907  -7.508  -0.808
   95    H    ASP  18           H        ASP  18 -14.716  -3.986  -2.067
   96    HA   ASP  18           HA       ASP  18 -16.500  -5.575  -0.655
   97   1HB   ASP  18          2HB       ASP  18 -17.023  -3.744  -2.284
   98   2HB   ASP  18          1HB       ASP  18 -16.657  -4.830  -3.607
   99    H    LEU  19           H        LEU  19 -15.590  -7.456  -0.219
  100    HA   LEU  19           HA       LEU  19 -14.707  -9.462  -1.993
  101   1HB   LEU  19          2HB       LEU  19 -14.370  -9.029   0.595
  102   2HB   LEU  19          1HB       LEU  19 -15.933  -9.761   0.757
  103    HG   LEU  19           HG       LEU  19 -15.158 -11.881  -0.214
  104   1HD1  LEU  19          1HD1      LEU  19 -12.478 -10.435  -0.202
  105   2HD1  LEU  19          2HD1      LEU  19 -13.355 -10.871  -1.654
  106   3HD1  LEU  19          3HD1      LEU  19 -12.715 -12.130  -0.617
  107   1HD2  LEU  19          1HD2      LEU  19 -13.764 -12.493   1.737
  108   2HD2  LEU  19          2HD2      LEU  19 -15.086 -11.449   2.212
  109   3HD2  LEU  19          3HD2      LEU  19 -13.470 -10.789   2.070
  110    H    LYS  20           H        LYS  20 -15.964 -11.711  -1.864
  111    HA   LYS  20           HA       LYS  20 -18.582 -11.226  -3.045
  112   1HB   LYS  20          2HB       LYS  20 -18.612 -13.696  -3.303
  113   2HB   LYS  20          1HB       LYS  20 -17.086 -13.032  -3.851
  114   1HG   LYS  20          2HG       LYS  20 -16.022 -13.693  -1.679
  115   2HG   LYS  20          1HG       LYS  20 -17.546 -14.406  -1.166
  116   1HD   LYS  20          2HD       LYS  20 -17.515 -15.943  -3.099
  117   2HD   LYS  20          1HD       LYS  20 -15.993 -15.253  -3.634
  118   1HE   LYS  20          2HE       LYS  20 -14.916 -15.970  -1.506
  119   2HE   LYS  20          1HE       LYS  20 -16.444 -16.657  -0.965
  120   1HZ   LYS  20          1HZ       LYS  20 -14.861 -17.490  -3.323
  121   2HZ   LYS  20          2HZ       LYS  20 -16.400 -18.092  -2.938
  122   3HZ   LYS  20          3HZ       LYS  20 -15.096 -18.361  -1.885
  123    H    ILE  21           H        ILE  21 -17.267 -12.643  -0.089
  124    HA   ILE  21           HA       ILE  21 -19.675 -11.989   1.452
  125    HB   ILE  21           HB       ILE  21 -18.377 -14.743   1.261
  126   1HG1  ILE  21          2HG1      ILE  21 -21.199 -13.847   0.488
  127   2HG1  ILE  21          1HG1      ILE  21 -19.928 -14.288  -0.634
  128   1HG2  ILE  21          1HG2      ILE  21 -20.647 -13.750   3.030
  129   2HG2  ILE  21          2HG2      ILE  21 -19.029 -14.171   3.577
  130   3HG2  ILE  21          3HG2      ILE  21 -20.088 -15.420   2.959
  131   1HD1  ILE  21          1HD1      ILE  21 -21.184 -16.199   1.368
  132   2HD1  ILE  21          2HD1      ILE  21 -19.893 -16.592   0.240
  133   3HD1  ILE  21          3HD1      ILE  21 -21.484 -16.152  -0.357
  134    H    GLY  22           H        GLY  22 -18.728 -10.673   2.956
  135   1HA   GLY  22          2HA       GLY  22 -17.544 -10.417   4.994
  136   2HA   GLY  22          1HA       GLY  22 -16.415 -11.620   4.429
  137    H    TYR  23           H        TYR  23 -17.642  -8.785   2.951
  138    HA   TYR  23           HA       TYR  23 -15.686  -7.661   1.479
  139   1HB   TYR  23          2HB       TYR  23 -17.214  -5.879   3.350
  140   2HB   TYR  23          1HB       TYR  23 -16.712  -5.555   1.705
  141    HD1  TYR  23           1HD      TYR  23 -17.682  -7.228  -0.165
  142    HD2  TYR  23           2HD      TYR  23 -19.364  -6.694   3.697
  143    HE1  TYR  23           1HE      TYR  23 -19.806  -8.142  -0.964
  144    HE2  TYR  23           2HE      TYR  23 -21.496  -7.609   2.897
  145    HH   TYR  23           HH       TYR  23 -22.670  -7.805   0.647
  146    H    GLU  24           H        GLU  24 -14.072  -6.059   1.659
  147    HA   GLU  24           HA       GLU  24 -12.717  -6.039   4.292
  148   1HB   GLU  24          2HB       GLU  24 -11.640  -5.919   1.518
  149   2HB   GLU  24          1HB       GLU  24 -10.675  -5.870   2.965
  150   1HG   GLU  24          2HG       GLU  24 -11.737  -8.078   3.611
  151   2HG   GLU  24          1HG       GLU  24 -12.555  -8.053   2.048
  152    H    CYS  25           H        CYS  25 -11.266  -4.481   4.729
  153    HA   CYS  25           HA       CYS  25 -11.816  -1.764   3.926
  154   1HB   CYS  25          2HB       CYS  25 -11.557  -3.035   6.631
  155   2HB   CYS  25          1HB       CYS  25 -11.268  -1.339   6.446
  156    H    LEU  26           H        LEU  26  -9.928  -2.482   2.504
  157    HA   LEU  26           HA       LEU  26  -7.336  -2.788   3.762
  158   1HB   LEU  26          2HB       LEU  26  -7.665  -1.831   0.912
  159   2HB   LEU  26          1HB       LEU  26  -6.488  -2.885   1.608
  160    HG   LEU  26           HG       LEU  26  -9.345  -3.739   1.180
  161   1HD1  LEU  26          1HD1      LEU  26  -8.163  -3.535  -0.956
  162   2HD1  LEU  26          2HD1      LEU  26  -8.389  -5.226  -0.576
  163   3HD1  LEU  26          3HD1      LEU  26  -6.824  -4.493  -0.342
  164   1HD2  LEU  26          1HD2      LEU  26  -6.962  -5.356   2.137
  165   2HD2  LEU  26          2HD2      LEU  26  -8.561  -5.986   1.767
  166   3HD2  LEU  26          3HD2      LEU  26  -8.346  -4.889   3.118
  167    H    CYS  27           H        CYS  27  -5.635  -1.134   2.688
  168    HA   CYS  27           HA       CYS  27  -6.411   1.508   3.725
  169   1HB   CYS  27          2HB       CYS  27  -3.769   0.275   3.107
  170   2HB   CYS  27          1HB       CYS  27  -3.970   1.933   3.559
  171    HA   PRO  28           HA       PRO  28  -7.102   3.464  -0.289
  172   1HB   PRO  28          2HB       PRO  28  -5.598   5.500   1.332
  173   2HB   PRO  28          1HB       PRO  28  -6.921   5.746   0.227
  174   1HG   PRO  28          2HG       PRO  28  -7.498   5.649   2.749
  175   2HG   PRO  28          1HG       PRO  28  -8.485   4.661   1.649
  176   1HD   PRO  28          2HD       PRO  28  -6.316   3.811   3.509
  177   2HD   PRO  28          1HD       PRO  28  -7.816   2.978   3.047
  178    H    ASP  29           H        ASP  29  -4.106   3.770   1.369
  179    HA   ASP  29           HA       ASP  29  -2.470   4.537  -0.895
  180   1HB   ASP  29          2HB       ASP  29  -0.642   4.361   0.836
  181   2HB   ASP  29          1HB       ASP  29  -1.975   5.391   1.316
  182    H    GLY  30           H        GLY  30  -0.290   3.430  -1.018
  183   1HA   GLY  30          2HA       GLY  30  -0.515   1.065  -2.434
  184   2HA   GLY  30          1HA       GLY  30   0.986   1.723  -1.835
  185    H    PHE  31           H        PHE  31  -0.282   1.251   1.068
  186    HA   PHE  31           HA       PHE  31   1.004  -1.310   1.374
  187   1HB   PHE  31          2HB       PHE  31  -0.720   0.214   3.343
  188   2HB   PHE  31          1HB       PHE  31   0.554  -0.909   3.720
  189    HD1  PHE  31           1HD      PHE  31   0.181   2.431   3.986
  190    HD2  PHE  31           2HD      PHE  31   2.652  -0.292   1.876
  191    HE1  PHE  31           1HE      PHE  31   1.892   4.170   3.720
  192    HE2  PHE  31           2HE      PHE  31   4.364   1.428   1.608
  193    HZ   PHE  31           HZ       PHE  31   4.000   3.651   2.528
  194    H    GLN  32           H        GLN  32   0.191  -3.102   2.253
  195    HA   GLN  32           HA       GLN  32  -2.537  -3.891   1.390
  196   1HB   GLN  32          2HB       GLN  32   0.048  -5.416   1.786
  197   2HB   GLN  32          1HB       GLN  32  -1.479  -6.229   1.650
  198   1HG   GLN  32          2HG       GLN  32  -0.300  -6.141  -0.533
  199   2HG   GLN  32          1HG       GLN  32  -1.812  -5.262  -0.611
  200   1HE2  GLN  32          1HE2      GLN  32  -1.476  -3.590  -1.989
  201   2HE2  GLN  32          2HE2      GLN  32  -0.155  -2.530  -1.965
  202    H    LEU  33           H        LEU  33  -3.982  -4.433   2.858
  203    HA   LEU  33           HA       LEU  33  -3.447  -4.179   5.689
  204   1HB   LEU  33          2HB       LEU  33  -5.670  -3.821   4.348
  205   2HB   LEU  33          1HB       LEU  33  -5.876  -5.550   4.447
  206    HG   LEU  33           HG       LEU  33  -5.501  -5.221   7.031
  207   1HD1  LEU  33          1HD1      LEU  33  -6.163  -2.375   6.172
  208   2HD1  LEU  33          2HD1      LEU  33  -4.639  -2.891   6.865
  209   3HD1  LEU  33          3HD1      LEU  33  -6.099  -2.924   7.830
  210   1HD2  LEU  33          1HD2      LEU  33  -8.037  -4.147   5.761
  211   2HD2  LEU  33          2HD2      LEU  33  -7.875  -4.683   7.421
  212   3HD2  LEU  33          3HD2      LEU  33  -7.698  -5.833   6.108
  213    H    VAL  34           H        VAL  34  -2.117  -5.671   6.578
  214    HA   VAL  34           HA       VAL  34  -2.679  -8.569   6.054
  215    HB   VAL  34           HB       VAL  34   0.012  -7.224   6.604
  216   1HG1  VAL  34          1HG1      VAL  34  -0.124  -9.521   7.618
  217   2HG1  VAL  34          2HG1      VAL  34   0.968  -9.501   6.248
  218   3HG1  VAL  34          3HG1      VAL  34  -0.647 -10.166   6.072
  219   1HG2  VAL  34          1HG2      VAL  34   0.555  -7.982   4.294
  220   2HG2  VAL  34          2HG2      VAL  34  -0.833  -6.914   4.268
  221   3HG2  VAL  34          3HG2      VAL  34  -1.063  -8.645   4.121
  222    H    ALA  35           H        ALA  35  -1.265  -6.365   8.417
  223    HA   ALA  35           HA       ALA  35  -1.635  -8.215  10.563
  224   1HB   ALA  35          1HB       ALA  35  -0.654  -5.345  10.520
  225   2HB   ALA  35          2HB       ALA  35   0.338  -6.787  10.504
  226   3HB   ALA  35          3HB       ALA  35  -0.598  -6.386  11.933
  227    H    GLN  36           H        GLN  36  -4.013  -8.083   9.794
  228    HA   GLN  36           HA       GLN  36  -6.210  -7.841  10.420
  229   1HB   GLN  36          2HB       GLN  36  -5.077  -6.377  12.869
  230   2HB   GLN  36          1HB       GLN  36  -6.718  -6.950  12.690
  231   1HG   GLN  36          2HG       GLN  36  -5.915  -9.286  12.479
  232   2HG   GLN  36          1HG       GLN  36  -4.248  -8.739  12.611
  233   1HE2  GLN  36          1HE2      GLN  36  -3.566  -7.784  14.689
  234   2HE2  GLN  36          2HE2      GLN  36  -4.418  -8.148  16.112
  235    H    ARG  37           H        ARG  37  -5.065  -4.769  11.743
  236    HA   ARG  37           HA       ARG  37  -6.762  -3.315   9.748
  237   1HB   ARG  37          2HB       ARG  37  -6.173  -2.592  12.640
  238   2HB   ARG  37          1HB       ARG  37  -7.112  -1.599  11.551
  239   1HG   ARG  37          2HG       ARG  37  -7.782  -4.403  12.550
  240   2HG   ARG  37          1HG       ARG  37  -8.532  -2.915  13.084
  241   1HD   ARG  37          2HD       ARG  37  -8.670  -4.033  10.263
  242   2HD   ARG  37          1HD       ARG  37  -9.953  -4.069  11.472
  243    HE   ARG  37           HE       ARG  37  -9.093  -1.365  11.083
  244   1HH1  ARG  37          2HH1      ARG  37 -10.832  -3.928   9.533
  245   2HH1  ARG  37          1HH1      ARG  37 -11.827  -2.854   8.610
  246   1HH2  ARG  37          1HH2      ARG  37 -10.345   0.023   9.914
  247   2HH2  ARG  37          2HH2      ARG  37 -11.547  -0.587   8.826
  248    H    ARG  38           H        ARG  38  -3.673  -3.955  10.661
  249    HA   ARG  38           HA       ARG  38  -2.592  -1.303   9.911
  250   1HB   ARG  38          2HB       ARG  38  -1.411  -3.672  11.380
  251   2HB   ARG  38          1HB       ARG  38  -0.520  -2.236  10.948
  252   1HG   ARG  38          2HG       ARG  38  -2.158  -0.878  12.324
  253   2HG   ARG  38          1HG       ARG  38  -3.011  -2.357  12.729
  254   1HD   ARG  38          2HD       ARG  38  -1.453  -1.719  14.554
  255   2HD   ARG  38          1HD       ARG  38  -0.949  -3.243  13.826
  256    HE   ARG  38           HE       ARG  38   0.324  -1.020  12.505
  257   1HH1  ARG  38          2HH1      ARG  38   0.370  -2.925  15.400
  258   2HH1  ARG  38          1HH1      ARG  38   2.053  -2.644  15.695
  259   1HH2  ARG  38          1HH2      ARG  38   2.455  -0.648  12.858
  260   2HH2  ARG  38          2HH2      ARG  38   3.252  -1.334  14.235
  261    H    CYS  39           H        CYS  39  -2.206  -1.168   7.873
  262    HA   CYS  39           HA       CYS  39  -1.398  -3.479   6.237
  263   1HB   CYS  39          2HB       CYS  39  -1.794  -1.914   4.333
  264   2HB   CYS  39          1HB       CYS  39  -3.192  -2.095   5.362
  265    H    GLU  40           H        GLU  40   0.325  -3.373   4.725
  266    HA   GLU  40           HA       GLU  40   2.340  -1.272   4.852
  267   1HB   GLU  40          2HB       GLU  40   2.905  -2.692   6.908
  268   2HB   GLU  40          1HB       GLU  40   3.122  -4.058   5.835
  269   1HG   GLU  40          2HG       GLU  40   4.921  -2.923   4.605
  270   2HG   GLU  40          1HG       GLU  40   4.659  -1.431   5.464
  271    H    ASP  41           H        ASP  41   3.918  -1.507   3.259
  272    HA   ASP  41           HA       ASP  41   3.063  -2.900   0.867
  273   1HB   ASP  41          2HB       ASP  41   4.081  -0.671   0.664
  274   2HB   ASP  41          1HB       ASP  41   5.513  -1.199   1.510
  275    H    ILE  42           H        ILE  42   4.657  -4.145  -0.432
  276    HA   ILE  42           HA       ILE  42   5.450  -6.466   0.938
  277    HB   ILE  42           HB       ILE  42   4.896  -6.428  -1.506
  278   1HG1  ILE  42          2HG1      ILE  42   7.773  -7.348  -0.994
  279   2HG1  ILE  42          1HG1      ILE  42   6.343  -8.270  -0.575
  280   1HG2  ILE  42          1HG2      ILE  42   6.534  -5.472  -3.145
  281   2HG2  ILE  42          2HG2      ILE  42   7.545  -4.916  -1.827
  282   3HG2  ILE  42          3HG2      ILE  42   5.947  -4.234  -2.066
  283   1HD1  ILE  42          1HD1      ILE  42   7.152  -7.459  -3.407
  284   2HD1  ILE  42          2HD1      ILE  42   5.712  -8.372  -2.983
  285   3HD1  ILE  42          3HD1      ILE  42   7.305  -9.057  -2.705
  286    H    ASP  43           H        ASP  43   7.595  -7.221   1.443
  287    HA   ASP  43           HA       ASP  43   9.417  -5.031   2.194
  288   1HB   ASP  43          2HB       ASP  43   8.938  -6.949   3.762
  289   2HB   ASP  43          1HB       ASP  43   9.744  -8.035   2.644
  290    H    GLU  44           H        GLU  44  10.383  -4.275   0.468
  291    HA   GLU  44           HA       GLU  44  11.536  -5.985  -1.597
  292   1HB   GLU  44          2HB       GLU  44  12.167  -3.832  -2.653
  293   2HB   GLU  44          1HB       GLU  44  10.472  -3.907  -2.271
  294   1HG   GLU  44          2HG       GLU  44  12.482  -2.500  -0.466
  295   2HG   GLU  44          1HG       GLU  44  11.578  -1.709  -1.735
  296    H    CYS  45           H        CYS  45  12.630  -4.943   1.467
  297    HA   CYS  45           HA       CYS  45  15.335  -4.443   0.733
  298   1HB   CYS  45          2HB       CYS  45  13.957  -4.951   3.360
  299   2HB   CYS  45          1HB       CYS  45  15.663  -4.788   3.275
  300    H    GLN  46           H        GLN  46  13.995  -6.836   2.879
  301    HA   GLN  46           HA       GLN  46  15.994  -8.708   3.001
  302   1HB   GLN  46          2HB       GLN  46  12.981  -9.169   2.973
  303   2HB   GLN  46          1HB       GLN  46  14.149 -10.313   3.582
  304   1HG   GLN  46          2HG       GLN  46  13.694  -7.494   4.689
  305   2HG   GLN  46          1HG       GLN  46  13.142  -8.981   5.440
  306   1HE2  GLN  46          1HE2      GLN  46  14.871 -10.513   6.193
  307   2HE2  GLN  46          2HE2      GLN  46  16.386  -9.887   6.635
  308    H    ASP  47           H        ASP  47  13.418  -8.467   0.669
  309    HA   ASP  47           HA       ASP  47  14.227 -10.733  -0.858
  310   1HB   ASP  47          2HB       ASP  47  11.845 -10.043  -0.789
  311   2HB   ASP  47          1HB       ASP  47  12.262  -8.487  -1.484
  312    HA   PRO  48           HA       PRO  48  17.300  -8.379  -3.121
  313   1HB   PRO  48          2HB       PRO  48  17.652 -10.042  -5.289
  314   2HB   PRO  48          1HB       PRO  48  18.300 -10.405  -3.710
  315   1HG   PRO  48          2HG       PRO  48  15.792 -11.433  -4.970
  316   2HG   PRO  48          1HG       PRO  48  17.021 -12.307  -4.040
  317   1HD   PRO  48          2HD       PRO  48  14.678 -11.532  -2.963
  318   2HD   PRO  48          1HD       PRO  48  16.174 -11.611  -2.015
  319    H    ASP  49           H        ASP  49  15.935  -6.656  -3.495
  320    HA   ASP  49           HA       ASP  49  14.926  -6.418  -6.273
  321   1HB   ASP  49          2HB       ASP  49  12.979  -6.947  -4.857
  322   2HB   ASP  49          1HB       ASP  49  13.415  -5.667  -3.742
  323    H    THR  50           H        THR  50  15.484  -4.646  -3.267
  324    HA   THR  50           HA       THR  50  15.842  -2.107  -4.552
  325    HB   THR  50           HB       THR  50  16.638  -1.459  -2.190
  326    HG1  THR  50           1HG      THR  50  16.066  -4.211  -1.829
  327   1HG2  THR  50          1HG2      THR  50  14.100  -3.137  -2.308
  328   2HG2  THR  50          2HG2      THR  50  14.177  -1.455  -2.791
  329   3HG2  THR  50          3HG2      THR  50  14.463  -1.897  -1.115
  330    H    CYS  51           H        CYS  51  18.408  -2.931  -2.321
  331    HA   CYS  51           HA       CYS  51  20.354  -2.430  -4.509
  332   1HB   CYS  51          2HB       CYS  51  20.497  -2.152  -1.529
  333   2HB   CYS  51          1HB       CYS  51  21.780  -1.767  -2.647
  334    H    SER  52           H        SER  52  22.658  -3.355  -3.627
  335    HA   SER  52           HA       SER  52  22.298  -6.302  -3.721
  336   1HB   SER  52          2HB       SER  52  23.822  -5.190  -5.370
  337   2HB   SER  52          1HB       SER  52  24.817  -4.585  -4.038
  338    HG   SER  52           HG       SER  52  25.186  -6.804  -5.143
  339    H    GLN  53           H        GLN  53  22.057  -4.394  -1.327
  340    HA   GLN  53           HA       GLN  53  23.456  -6.139   0.583
  341   1HB   GLN  53          2HB       GLN  53  24.099  -3.694   1.702
  342   2HB   GLN  53          1HB       GLN  53  25.138  -4.657   0.744
  343   1HG   GLN  53          2HG       GLN  53  25.064  -2.277   0.063
  344   2HG   GLN  53          1HG       GLN  53  24.402  -3.224  -1.242
  345   1HE2  GLN  53          1HE2      GLN  53  23.815  -0.578  -1.238
  346   2HE2  GLN  53          2HE2      GLN  53  22.200  -0.303  -0.794
  347    H    LEU  54           H        LEU  54  23.243  -4.691   2.806
  348    HA   LEU  54           HA       LEU  54  20.759  -5.433   3.817
  349   1HB   LEU  54          2HB       LEU  54  22.794  -5.361   5.038
  350   2HB   LEU  54          1HB       LEU  54  23.053  -3.671   4.696
  351    HG   LEU  54           HG       LEU  54  20.627  -4.560   6.319
  352   1HD1  LEU  54          1HD1      LEU  54  22.061  -4.121   8.288
  353   2HD1  LEU  54          2HD1      LEU  54  23.440  -3.788   7.237
  354   3HD1  LEU  54          3HD1      LEU  54  22.771  -5.415   7.324
  355   1HD2  LEU  54          1HD2      LEU  54  20.922  -2.224   7.145
  356   2HD2  LEU  54          2HD2      LEU  54  20.859  -2.150   5.400
  357   3HD2  LEU  54          3HD2      LEU  54  22.407  -2.089   6.208
  358    H    CYS  55           H        CYS  55  19.177  -4.236   4.694
  359    HA   CYS  55           HA       CYS  55  18.668  -1.446   3.994
  360   1HB   CYS  55          2HB       CYS  55  18.265  -2.515   1.871
  361   2HB   CYS  55          1HB       CYS  55  17.307  -3.745   2.572
  362    H    VAL  56           H        VAL  56  16.318  -0.912   4.546
  363    HA   VAL  56           HA       VAL  56  15.299  -2.422   6.857
  364    HB   VAL  56           HB       VAL  56  14.936  -0.169   7.889
  365   1HG1  VAL  56          1HG1      VAL  56  17.343   0.093   8.637
  366   2HG1  VAL  56          2HG1      VAL  56  17.850  -0.911   7.290
  367   3HG1  VAL  56          3HG1      VAL  56  16.883  -1.599   8.582
  368   1HG2  VAL  56          1HG2      VAL  56  15.165   1.331   5.926
  369   2HG2  VAL  56          2HG2      VAL  56  16.840   0.844   5.749
  370   3HG2  VAL  56          3HG2      VAL  56  16.331   1.753   7.154
  371    H    ASN  57           H        ASN  57  13.365  -3.033   6.332
  372    HA   ASN  57           HA       ASN  57  11.689  -1.649   4.374
  373   1HB   ASN  57          2HB       ASN  57  11.909  -4.111   4.352
  374   2HB   ASN  57          1HB       ASN  57  11.206  -4.149   5.966
  375   1HD2  ASN  57          1HD2      ASN  57   9.243  -5.177   5.632
  376   2HD2  ASN  57          2HD2      ASN  57   8.052  -4.620   4.559
  377    H    LEU  58           H        LEU  58   9.574  -1.240   4.634
  378    HA   LEU  58           HA       LEU  58   7.811  -1.089   6.778
  379   1HB   LEU  58          2HB       LEU  58   7.912   1.216   7.612
  380   2HB   LEU  58          1HB       LEU  58   9.425   0.456   7.931
  381    HG   LEU  58           HG       LEU  58   9.079   2.189   5.465
  382   1HD1  LEU  58          1HD1      LEU  58  10.068   4.040   6.865
  383   2HD1  LEU  58          2HD1      LEU  58  10.062   2.995   8.276
  384   3HD1  LEU  58          3HD1      LEU  58   8.546   3.530   7.569
  385   1HD2  LEU  58          1HD2      LEU  58  11.056   0.746   5.555
  386   2HD2  LEU  58          2HD2      LEU  58  11.468   1.377   7.144
  387   3HD2  LEU  58          3HD2      LEU  58  11.516   2.421   5.740
  388    H    GLU  59           H        GLU  59   6.772   1.451   6.326
  389    HA   GLU  59           HA       GLU  59   5.364   1.019   3.840
  390   1HB   GLU  59          2HB       GLU  59   5.075   2.895   6.176
  391   2HB   GLU  59          1HB       GLU  59   4.178   3.305   4.774
  392   1HG   GLU  59          2HG       GLU  59   2.630   2.010   6.039
  393   2HG   GLU  59          1HG       GLU  59   3.261   0.859   4.915
  394    H    GLY  60           H        GLY  60   6.649   1.280   2.273
  395   1HA   GLY  60          2HA       GLY  60   7.639   2.291   0.483
  396   2HA   GLY  60          1HA       GLY  60   6.627   3.662   0.884
  397    H    GLY  61           H        GLY  61   8.226   3.357   3.575
  398   1HA   GLY  61          2HA       GLY  61  10.228   5.416   2.958
  399   2HA   GLY  61          1HA       GLY  61   9.762   4.834   4.558
  400    H    TYR  62           H        TYR  62  10.237   2.219   2.771
  401    HA   TYR  62           HA       TYR  62  12.480   1.284   4.146
  402   1HB   TYR  62          2HB       TYR  62  12.612  -0.532   2.466
  403   2HB   TYR  62          1HB       TYR  62  10.921  -0.165   2.759
  404    HD1  TYR  62           1HD      TYR  62   9.586   1.042   1.031
  405    HD2  TYR  62           2HD      TYR  62  13.691   0.098   0.394
  406    HE1  TYR  62           1HE      TYR  62   9.349   1.557  -1.353
  407    HE2  TYR  62           2HE      TYR  62  13.454   0.612  -1.975
  408    HH   TYR  62           HH       TYR  62  11.112   0.574  -3.631
  409    H    LYS  63           H        LYS  63  14.660   1.031   3.685
  410    HA   LYS  63           HA       LYS  63  15.741   2.393   1.299
  411   1HB   LYS  63          2HB       LYS  63  15.347   4.218   2.844
  412   2HB   LYS  63          1HB       LYS  63  16.348   3.447   4.074
  413   1HG   LYS  63          2HG       LYS  63  18.320   3.708   2.555
  414   2HG   LYS  63          1HG       LYS  63  17.300   4.496   1.372
  415   1HD   LYS  63          2HD       LYS  63  17.877   5.475   4.207
  416   2HD   LYS  63          1HD       LYS  63  18.599   6.116   2.748
  417   1HE   LYS  63          2HE       LYS  63  16.346   6.851   1.951
  418   2HE   LYS  63          1HE       LYS  63  15.625   6.232   3.432
  419   1HZ   LYS  63          1HZ       LYS  63  17.861   8.064   3.724
  420   2HZ   LYS  63          2HZ       LYS  63  16.457   7.886   4.664
  421   3HZ   LYS  63          3HZ       LYS  63  16.388   8.710   3.181
  422    H    CYS  64           H        CYS  64  17.810   2.286   1.022
  423    HA   CYS  64           HA       CYS  64  19.083  -0.222   1.889
  424   1HB   CYS  64          2HB       CYS  64  19.986   1.815  -0.120
  425   2HB   CYS  64          1HB       CYS  64  20.675   0.260   0.149
  426    H    GLN  65           H        GLN  65  21.228  -0.349   2.392
  427    HA   GLN  65           HA       GLN  65  22.838   1.907   3.362
  428   1HB   GLN  65          2HB       GLN  65  22.188  -0.316   5.321
  429   2HB   GLN  65          1HB       GLN  65  23.060   1.146   5.633
  430   1HG   GLN  65          2HG       GLN  65  21.062   2.546   5.386
  431   2HG   GLN  65          1HG       GLN  65  20.083   1.118   5.049
  432   1HE2  GLN  65          1HE2      GLN  65  22.038   2.685   7.580
  433   2HE2  GLN  65          2HE2      GLN  65  21.328   1.844   8.872
  434    H    CYS  66           H        CYS  66  24.771   0.471   4.641
  435    HA   CYS  66           HA       CYS  66  25.603  -1.410   2.509
  436   1HB   CYS  66          2HB       CYS  66  27.346  -0.345   4.680
  437   2HB   CYS  66          1HB       CYS  66  27.745  -1.078   3.242
  438    H    GLU  67           H        GLU  67  26.288  -3.281   2.847
  439    HA   GLU  67           HA       GLU  67  25.424  -4.823   5.208
  440   1HB   GLU  67          2HB       GLU  67  24.936  -5.528   2.829
  441   2HB   GLU  67          1HB       GLU  67  26.645  -5.683   2.519
  442   1HG   GLU  67          2HG       GLU  67  25.072  -7.335   4.539
  443   2HG   GLU  67          1HG       GLU  67  25.453  -7.864   2.918
  444    H    GLU  68           H        GLU  68  26.983  -3.477   6.366
  445    HA   GLU  68           HA       GLU  68  28.939  -3.093   7.515
  446   1HB   GLU  68          2HB       GLU  68  29.163  -6.088   6.991
  447   2HB   GLU  68          1HB       GLU  68  30.180  -5.228   8.123
  448   1HG   GLU  68          2HG       GLU  68  28.265  -6.287   9.290
  449   2HG   GLU  68          1HG       GLU  68  28.176  -4.545   9.435
  450    H    GLY  69           H        GLY  69  30.347  -5.555   5.439
  451   1HA   GLY  69          2HA       GLY  69  32.798  -4.252   5.059
  452   2HA   GLY  69          1HA       GLY  69  32.210  -5.586   4.080
  453    H    PHE  70           H        PHE  70  29.790  -3.767   3.509
  454    HA   PHE  70           HA       PHE  70  30.782  -2.739   1.061
  455   1HB   PHE  70          2HB       PHE  70  28.090  -2.733   2.407
  456   2HB   PHE  70          1HB       PHE  70  28.323  -1.956   0.855
  457    HD1  PHE  70           1HD      PHE  70  29.885  -5.222   1.882
  458    HD2  PHE  70           2HD      PHE  70  26.848  -3.287  -0.360
  459    HE1  PHE  70           1HE      PHE  70  29.357  -7.345   0.792
  460    HE2  PHE  70           2HE      PHE  70  26.319  -5.408  -1.466
  461    HZ   PHE  70           HZ       PHE  70  27.570  -7.448  -0.895
  462    H    GLN  71           H        GLN  71  30.431  -0.531   0.325
  463    HA   GLN  71           HA       GLN  71  30.514   1.509   2.432
  464   1HB   GLN  71          2HB       GLN  71  32.369   0.980   0.131
  465   2HB   GLN  71          1HB       GLN  71  32.108   2.629   0.573
  466   1HG   GLN  71          2HG       GLN  71  33.008   0.456   2.529
  467   2HG   GLN  71          1HG       GLN  71  34.080   1.648   1.794
  468   1HE2  GLN  71          1HE2      GLN  71  33.808   1.623   4.582
  469   2HE2  GLN  71          2HE2      GLN  71  32.956   3.001   5.093
  470    H    LEU  72           H        LEU  72  30.403   3.631   1.507
  471    HA   LEU  72           HA       LEU  72  27.850   3.768   0.042
  472   1HB   LEU  72          2HB       LEU  72  28.309   5.267   1.972
  473   2HB   LEU  72          1HB       LEU  72  29.598   6.032   1.065
  474    HG   LEU  72           HG       LEU  72  27.888   6.611  -0.735
  475   1HD1  LEU  72          1HD1      LEU  72  25.486   6.516  -0.152
  476   2HD1  LEU  72          2HD1      LEU  72  25.869   5.660   1.329
  477   3HD1  LEU  72          3HD1      LEU  72  26.172   4.910  -0.228
  478   1HD2  LEU  72          1HD2      LEU  72  28.557   8.274   0.988
  479   2HD2  LEU  72          2HD2      LEU  72  27.307   7.670   2.069
  480   3HD2  LEU  72          3HD2      LEU  72  26.861   8.474   0.569
  481    H    ASP  73           H        ASP  73  28.092   3.304  -2.049
  482    HA   ASP  73           HA       ASP  73  30.307   4.221  -3.696
  483   1HB   ASP  73          2HB       ASP  73  28.894   2.176  -4.263
  484   2HB   ASP  73          1HB       ASP  73  27.563   3.259  -4.645
  485    HA   PRO  74           HA       PRO  74  28.472   8.316  -4.150
  486   1HB   PRO  74          2HB       PRO  74  30.281   9.456  -5.753
  487   2HB   PRO  74          1HB       PRO  74  30.694   9.008  -4.115
  488   1HG   PRO  74          2HG       PRO  74  31.242   7.483  -6.635
  489   2HG   PRO  74          1HG       PRO  74  32.338   7.864  -5.293
  490   1HD   PRO  74          2HD       PRO  74  31.079   5.467  -5.525
  491   2HD   PRO  74          1HD       PRO  74  31.511   6.183  -3.959
  492    H    HIS  75           H        HIS  75  27.708   9.741  -5.781
  493    HA   HIS  75           HA       HIS  75  26.414  10.303  -7.627
  494   1HB   HIS  75          2HB       HIS  75  28.031   8.130  -9.040
  495   2HB   HIS  75          1HB       HIS  75  27.083   9.387  -9.818
  496    HD1  HIS  75           1HD      HIS  75  30.180   8.985  -7.815
  497    HD2  HIS  75           2HD      HIS  75  28.287  11.940  -9.901
  498    HE1  HIS  75           1HE      HIS  75  31.774  10.864  -7.958
  499    H    THR  76           H        THR  76  26.125   7.545  -6.072
  500    HA   THR  76           HA       THR  76  23.564   6.787  -7.381
  501    HB   THR  76           HB       THR  76  24.165   4.347  -7.035
  502    HG1  THR  76           1HG      THR  76  26.658   5.518  -6.383
  503   1HG2  THR  76          1HG2      THR  76  26.385   5.816  -8.591
  504   2HG2  THR  76          2HG2      THR  76  24.822   5.434  -9.293
  505   3HG2  THR  76          3HG2      THR  76  25.908   4.142  -8.809
  506    H    LYS  77           H        LYS  77  25.677   6.598  -4.722
  507    HA   LYS  77           HA       LYS  77  25.427   6.674  -2.403
  508   1HB   LYS  77          2HB       LYS  77  22.610   7.127  -3.033
  509   2HB   LYS  77          1HB       LYS  77  23.281   7.320  -1.436
  510   1HG   LYS  77          2HG       LYS  77  24.859   9.060  -2.357
  511   2HG   LYS  77          1HG       LYS  77  24.068   8.922  -3.920
  512   1HD   LYS  77          2HD       LYS  77  21.907   9.611  -2.894
  513   2HD   LYS  77          1HD       LYS  77  22.692   9.752  -1.329
  514   1HE   LYS  77          2HE       LYS  77  24.216  11.500  -2.254
  515   2HE   LYS  77          1HE       LYS  77  23.417  11.364  -3.816
  516   1HZ   LYS  77          1HZ       LYS  77  21.309  11.898  -2.584
  517   2HZ   LYS  77          2HZ       LYS  77  22.434  13.161  -2.748
  518   3HZ   LYS  77          3HZ       LYS  77  22.292  12.337  -1.270
  519    H    ALA  78           H        ALA  78  24.460   4.354  -4.351
  520    HA   ALA  78           HA       ALA  78  23.008   2.573  -2.488
  521   1HB   ALA  78          1HB       ALA  78  23.103   0.983  -4.350
  522   2HB   ALA  78          2HB       ALA  78  24.183   2.052  -5.239
  523   3HB   ALA  78          3HB       ALA  78  22.518   2.538  -4.934
  524    H    CYS  79           H        CYS  79  24.032   1.191  -1.219
  525    HA   CYS  79           HA       CYS  79  26.942   1.242  -1.150
  526   1HB   CYS  79          2HB       CYS  79  24.951  -0.319   0.454
  527   2HB   CYS  79          1HB       CYS  79  26.659  -0.423   0.721
  528    H    LYS  80           H        LYS  80  28.314  -0.486  -1.194
  529    HA   LYS  80           HA       LYS  80  27.522  -3.105  -2.241
  530   1HB   LYS  80          2HB       LYS  80  28.939  -3.093  -3.992
  531   2HB   LYS  80          1HB       LYS  80  27.603  -1.988  -4.344
  532   1HG   LYS  80          2HG       LYS  80  29.144  -0.050  -3.615
  533   2HG   LYS  80          1HG       LYS  80  30.474  -1.184  -3.577
  534   1HD   LYS  80          2HD       LYS  80  28.856  -0.487  -6.057
  535   2HD   LYS  80          1HD       LYS  80  30.438   0.144  -5.666
  536   1HE   LYS  80          2HE       LYS  80  30.686  -1.665  -7.294
  537   2HE   LYS  80          1HE       LYS  80  31.379  -2.177  -5.767
  538   1HZ   LYS  80          1HZ       LYS  80  29.658  -3.610  -7.186
  539   2HZ   LYS  80          2HZ       LYS  80  28.589  -2.829  -6.124
  540   3HZ   LYS  80          3HZ       LYS  80  29.868  -3.765  -5.509
  541    H    ALA  81           H        ALA  81  29.399  -4.576  -2.225
  542    HA   ALA  81           HA       ALA  81  31.122  -4.492  -0.060
  543   1HB   ALA  81          1HB       ALA  81  30.781  -6.493  -1.454
  544   2HB   ALA  81          2HB       ALA  81  32.497  -6.168  -1.269
  545   3HB   ALA  81          3HB       ALA  81  31.679  -5.751  -2.768
  546    H    VAL  82           H        VAL  82  32.717  -3.195   0.551
  547    HA   VAL  82           HA       VAL  82  33.767  -1.061  -0.824
  548    HB   VAL  82           HB       VAL  82  34.042  -1.451   1.605
  549   1HG1  VAL  82          1HG1      VAL  82  35.789  -3.007   2.446
  550   2HG1  VAL  82          2HG1      VAL  82  36.141  -3.529   0.808
  551   3HG1  VAL  82          3HG1      VAL  82  34.593  -3.901   1.528
  552   1HG2  VAL  82          1HG2      VAL  82  36.714  -1.068   0.190
  553   2HG2  VAL  82          2HG2      VAL  82  36.363  -0.621   1.850
  554   3HG2  VAL  82          3HG2      VAL  82  35.539   0.190   0.531
  Start of MODEL   21
    1    H    GLY   1           H        GLY   1 -20.660  -5.047  -4.178
    2   1HA   GLY   1          2HA       GLY   1 -22.886  -5.746  -5.952
    3   2HA   GLY   1          1HA       GLY   1 -23.150  -6.102  -4.241
    4    H    THR   2           H        THR   2 -23.831  -4.488  -2.969
    5    HA   THR   2           HA       THR   2 -24.713  -2.040  -3.953
    6    HB   THR   2           HB       THR   2 -25.695  -3.015  -1.972
    7    HG1  THR   2           1HG      THR   2 -25.735  -1.153  -0.757
    8   1HG2  THR   2          1HG2      THR   2 -23.052  -2.257  -0.621
    9   2HG2  THR   2          2HG2      THR   2 -23.523  -3.916  -0.972
   10   3HG2  THR   2          3HG2      THR   2 -24.450  -2.966   0.185
   11    H    ASN   3           H        ASN   3 -24.200   0.062  -3.062
   12    HA   ASN   3           HA       ASN   3 -21.294   0.639  -3.244
   13   1HB   ASN   3          2HB       ASN   3 -22.946   1.714  -4.828
   14   2HB   ASN   3          1HB       ASN   3 -23.740   2.459  -3.455
   15   1HD2  ASN   3          1HD2      ASN   3 -22.977   4.326  -5.106
   16   2HD2  ASN   3          2HD2      ASN   3 -21.514   5.076  -4.675
   17    H    GLU   4           H        GLU   4 -21.510  -0.453  -1.055
   18    HA   GLU   4           HA       GLU   4 -22.613   0.987   1.173
   19   1HB   GLU   4          2HB       GLU   4 -21.064  -0.668   2.451
   20   2HB   GLU   4          1HB       GLU   4 -22.334  -1.356   1.467
   21   1HG   GLU   4          2HG       GLU   4 -20.089  -2.454   1.243
   22   2HG   GLU   4          1HG       GLU   4 -20.780  -1.956  -0.281
   23    H    CYS   5           H        CYS   5 -20.044   1.756  -0.752
   24    HA   CYS   5           HA       CYS   5 -18.067   2.605   1.050
   25   1HB   CYS   5          2HB       CYS   5 -18.816   3.541  -1.703
   26   2HB   CYS   5          1HB       CYS   5 -17.391   4.074  -0.872
   27    H    LEU   6           H        LEU   6 -20.895   3.964  -0.265
   28    HA   LEU   6           HA       LEU   6 -20.793   6.671   0.200
   29   1HB   LEU   6          2HB       LEU   6 -23.132   4.789   0.629
   30   2HB   LEU   6          1HB       LEU   6 -23.264   6.511   0.395
   31    HG   LEU   6           HG       LEU   6 -22.142   4.495  -1.635
   32   1HD1  LEU   6          1HD1      LEU   6 -24.705   6.128  -1.634
   33   2HD1  LEU   6          2HD1      LEU   6 -24.588   4.395  -1.366
   34   3HD1  LEU   6          3HD1      LEU   6 -24.167   5.072  -2.932
   35   1HD2  LEU   6          1HD2      LEU   6 -22.072   6.421  -3.221
   36   2HD2  LEU   6          2HD2      LEU   6 -21.024   6.746  -1.860
   37   3HD2  LEU   6          3HD2      LEU   6 -22.602   7.509  -1.952
   38    H    ASP   7           H        ASP   7 -21.633   4.107   2.411
   39    HA   ASP   7           HA       ASP   7 -21.615   5.941   4.779
   40   1HB   ASP   7          2HB       ASP   7 -23.627   4.393   4.277
   41   2HB   ASP   7          1HB       ASP   7 -22.518   3.053   4.496
   42    H    ASN   8           H        ASN   8 -20.947   3.921   6.568
   43    HA   ASN   8           HA       ASN   8 -18.206   3.987   6.747
   44   1HB   ASN   8          2HB       ASN   8 -20.052   1.879   7.582
   45   2HB   ASN   8          1HB       ASN   8 -18.446   2.025   8.250
   46   1HD2  ASN   8          1HD2      ASN   8 -21.702   3.259   8.363
   47   2HD2  ASN   8          2HD2      ASN   8 -21.448   4.409   9.586
   48    H    ASN   9           H        ASN   9 -16.608   3.055   5.443
   49    HA   ASN   9           HA       ASN   9 -16.983   1.677   3.110
   50   1HB   ASN   9          2HB       ASN   9 -14.628   1.520   5.040
   51   2HB   ASN   9          1HB       ASN   9 -14.572   0.980   3.382
   52   1HD2  ASN   9          1HD2      ASN   9 -16.526   3.819   3.896
   53   2HD2  ASN   9          2HD2      ASN   9 -15.389   4.936   3.324
   54    H    GLY  10           H        GLY  10 -18.635   0.160   3.497
   55   1HA   GLY  10          2HA       GLY  10 -19.422  -2.009   3.630
   56   2HA   GLY  10          1HA       GLY  10 -17.741  -2.509   3.738
   57    H    GLY  11           H        GLY  11 -18.018  -0.350   6.102
   58   1HA   GLY  11          2HA       GLY  11 -19.349  -0.698   8.279
   59   2HA   GLY  11          1HA       GLY  11 -18.611  -2.309   8.260
   60    H    CYS  12           H        CYS  12 -16.762   0.176   6.834
   61    HA   CYS  12           HA       CYS  12 -15.131   0.706   9.226
   62   1HB   CYS  12          2HB       CYS  12 -14.338  -0.304   6.493
   63   2HB   CYS  12          1HB       CYS  12 -13.222   0.361   7.606
   64    H    SER  13           H        SER  13 -13.235   2.128   7.538
   65    HA   SER  13           HA       SER  13 -14.587   4.107   5.966
   66   1HB   SER  13          2HB       SER  13 -14.229   6.031   7.569
   67   2HB   SER  13          1HB       SER  13 -15.304   4.823   8.280
   68    HG   SER  13           HG       SER  13 -12.493   5.016   8.647
   69    H    HIS  14           H        HIS  14 -12.500   2.286   5.877
   70    HA   HIS  14           HA       HIS  14 -10.039   3.915   5.582
   71   1HB   HIS  14          2HB       HIS  14 -10.483   0.897   5.769
   72   2HB   HIS  14          1HB       HIS  14  -8.936   1.714   5.703
   73    HD1  HIS  14           1HD      HIS  14 -11.006   0.323   8.102
   74    HD2  HIS  14           2HD      HIS  14  -8.963   3.858   8.005
   75    HE1  HIS  14           1HE      HIS  14 -10.807   1.076  10.444
   76    H    VAL  15           H        VAL  15 -10.871   0.906   3.994
   77    HA   VAL  15           HA       VAL  15 -11.146   2.257   1.362
   78    HB   VAL  15           HB       VAL  15  -9.342  -0.113   1.988
   79   1HG1  VAL  15          1HG1      VAL  15  -9.933   1.217  -0.711
   80   2HG1  VAL  15          2HG1      VAL  15 -10.466  -0.385  -0.238
   81   3HG1  VAL  15          3HG1      VAL  15  -8.758  -0.062  -0.449
   82   1HG2  VAL  15          1HG2      VAL  15  -8.340   2.074   2.563
   83   2HG2  VAL  15          2HG2      VAL  15  -8.704   2.678   0.953
   84   3HG2  VAL  15          3HG2      VAL  15  -7.543   1.378   1.160
   85    H    CYS  16           H        CYS  16 -13.079   1.745   0.739
   86    HA   CYS  16           HA       CYS  16 -14.414  -0.733   1.542
   87   1HB   CYS  16          2HB       CYS  16 -16.279   0.256   0.319
   88   2HB   CYS  16          1HB       CYS  16 -15.613   1.455   1.389
   89    H    ASN  17           H        ASN  17 -12.787  -2.138   0.553
   90    HA   ASN  17           HA       ASN  17 -12.621  -2.066  -2.429
   91   1HB   ASN  17          2HB       ASN  17 -10.533  -2.265  -1.316
   92   2HB   ASN  17          1HB       ASN  17 -11.061  -3.494  -0.219
   93   1HD2  ASN  17          1HD2      ASN  17 -11.037  -5.683  -1.052
   94   2HD2  ASN  17          2HD2      ASN  17 -10.438  -6.083  -2.584
   95    H    ASP  18           H        ASP  18 -14.638  -2.302  -2.363
   96    HA   ASP  18           HA       ASP  18 -16.372  -4.281  -1.422
   97   1HB   ASP  18          2HB       ASP  18 -16.898  -1.982  -2.474
   98   2HB   ASP  18          1HB       ASP  18 -16.718  -2.761  -4.029
   99    H    LEU  19           H        LEU  19 -15.663  -6.175  -1.572
  100    HA   LEU  19           HA       LEU  19 -14.730  -7.690  -3.741
  101   1HB   LEU  19          2HB       LEU  19 -14.687  -7.999  -1.129
  102   2HB   LEU  19          1HB       LEU  19 -16.295  -8.617  -1.324
  103    HG   LEU  19           HG       LEU  19 -15.497 -10.468  -2.753
  104   1HD1  LEU  19          1HD1      LEU  19 -12.781  -9.311  -1.996
  105   2HD1  LEU  19          2HD1      LEU  19 -13.457  -9.262  -3.614
  106   3HD1  LEU  19          3HD1      LEU  19 -13.038 -10.805  -2.892
  107   1HD2  LEU  19          1HD2      LEU  19 -14.464 -11.679  -0.869
  108   2HD2  LEU  19          2HD2      LEU  19 -15.794 -10.677  -0.332
  109   3HD2  LEU  19          3HD2      LEU  19 -14.145 -10.150  -0.059
  110    H    LYS  20           H        LYS  20 -16.104  -9.837  -4.261
  111    HA   LYS  20           HA       LYS  20 -18.444  -8.947  -5.715
  112   1HB   LYS  20          2HB       LYS  20 -18.604 -11.352  -6.374
  113   2HB   LYS  20          1HB       LYS  20 -16.957 -10.783  -6.543
  114   1HG   LYS  20          2HG       LYS  20 -16.391 -11.839  -4.319
  115   2HG   LYS  20          1HG       LYS  20 -18.028 -12.476  -4.240
  116   1HD   LYS  20          2HD       LYS  20 -17.695 -13.741  -6.319
  117   2HD   LYS  20          1HD       LYS  20 -16.053 -13.129  -6.442
  118   1HE   LYS  20          2HE       LYS  20 -15.500 -14.184  -4.245
  119   2HE   LYS  20          1HE       LYS  20 -17.142 -14.803  -4.133
  120   1HZ   LYS  20          1HZ       LYS  20 -15.185 -15.459  -6.254
  121   2HZ   LYS  20          2HZ       LYS  20 -16.776 -16.046  -6.162
  122   3HZ   LYS  20          3HZ       LYS  20 -15.645 -16.465  -4.966
  123    H    ILE  21           H        ILE  21 -17.811 -11.015  -2.919
  124    HA   ILE  21           HA       ILE  21 -20.293 -10.272  -1.573
  125    HB   ILE  21           HB       ILE  21 -19.439 -13.121  -2.252
  126   1HG1  ILE  21          2HG1      ILE  21 -21.937 -11.572  -3.109
  127   2HG1  ILE  21          1HG1      ILE  21 -20.607 -12.034  -4.151
  128   1HG2  ILE  21          1HG2      ILE  21 -20.314 -12.934   0.050
  129   2HG2  ILE  21          2HG2      ILE  21 -21.467 -13.804  -0.941
  130   3HG2  ILE  21          3HG2      ILE  21 -21.752 -12.112  -0.546
  131   1HD1  ILE  21          1HD1      ILE  21 -22.481 -13.571  -4.463
  132   2HD1  ILE  21          2HD1      ILE  21 -22.453 -14.012  -2.770
  133   3HD1  ILE  21          3HD1      ILE  21 -21.094 -14.421  -3.806
  134    H    GLY  22           H        GLY  22 -19.476  -9.627   0.380
  135   1HA   GLY  22          2HA       GLY  22 -18.502 -10.021   2.491
  136   2HA   GLY  22          1HA       GLY  22 -17.496 -11.239   1.746
  137    H    TYR  23           H        TYR  23 -18.148  -7.971   0.996
  138    HA   TYR  23           HA       TYR  23 -15.977  -6.831  -0.059
  139   1HB   TYR  23          2HB       TYR  23 -17.472  -5.465   2.154
  140   2HB   TYR  23          1HB       TYR  23 -16.644  -4.711   0.818
  141    HD1  TYR  23           1HD      TYR  23 -17.710  -6.837  -1.333
  142    HD2  TYR  23           2HD      TYR  23 -19.565  -4.447   1.653
  143    HE1  TYR  23           1HE      TYR  23 -19.799  -6.860  -2.608
  144    HE2  TYR  23           2HE      TYR  23 -21.655  -4.469   0.371
  145    HH   TYR  23           HH       TYR  23 -21.988  -4.967  -2.573
  146    H    GLU  24           H        GLU  24 -14.291  -5.364   0.565
  147    HA   GLU  24           HA       GLU  24 -12.908  -6.273   3.010
  148   1HB   GLU  24          2HB       GLU  24 -11.845  -5.060   0.520
  149   2HB   GLU  24          1HB       GLU  24 -10.908  -5.645   1.848
  150   1HG   GLU  24          2HG       GLU  24 -12.681  -7.353   0.050
  151   2HG   GLU  24          1HG       GLU  24 -10.928  -7.333   0.033
  152    H    CYS  25           H        CYS  25 -11.770  -5.025   4.105
  153    HA   CYS  25           HA       CYS  25 -12.260  -2.168   4.301
  154   1HB   CYS  25          2HB       CYS  25 -13.425  -3.460   6.015
  155   2HB   CYS  25          1HB       CYS  25 -11.988  -4.365   6.368
  156    H    LEU  26           H        LEU  26 -10.282  -2.615   2.726
  157    HA   LEU  26           HA       LEU  26  -7.751  -3.285   3.954
  158   1HB   LEU  26          2HB       LEU  26  -8.008  -1.703   1.392
  159   2HB   LEU  26          1HB       LEU  26  -6.821  -2.865   1.864
  160    HG   LEU  26           HG       LEU  26  -9.660  -3.670   1.237
  161   1HD1  LEU  26          1HD1      LEU  26  -8.482  -2.944  -0.808
  162   2HD1  LEU  26          2HD1      LEU  26  -8.691  -4.684  -0.813
  163   3HD1  LEU  26          3HD1      LEU  26  -7.129  -3.995  -0.430
  164   1HD2  LEU  26          1HD2      LEU  26  -7.219  -5.383   1.766
  165   2HD2  LEU  26          2HD2      LEU  26  -8.800  -5.968   1.272
  166   3HD2  LEU  26          3HD2      LEU  26  -8.607  -5.198   2.834
  167    H    CYS  27           H        CYS  27  -5.959  -1.566   3.278
  168    HA   CYS  27           HA       CYS  27  -6.546   0.879   4.823
  169   1HB   CYS  27          2HB       CYS  27  -3.983  -0.480   4.118
  170   2HB   CYS  27          1HB       CYS  27  -4.063   1.063   4.881
  171    HA   PRO  28           HA       PRO  28  -6.405   3.780   1.445
  172   1HB   PRO  28          2HB       PRO  28  -4.360   4.990   3.287
  173   2HB   PRO  28          1HB       PRO  28  -5.608   5.784   2.364
  174   1HG   PRO  28          2HG       PRO  28  -6.069   5.337   4.879
  175   2HG   PRO  28          1HG       PRO  28  -7.345   4.927   3.713
  176   1HD   PRO  28          2HD       PRO  28  -5.474   3.117   5.171
  177   2HD   PRO  28          1HD       PRO  28  -7.172   2.877   4.705
  178    H    ASP  29           H        ASP  29  -3.283   3.112   2.917
  179    HA   ASP  29           HA       ASP  29  -1.769   3.703   0.518
  180   1HB   ASP  29          2HB       ASP  29   0.159   3.089   1.909
  181   2HB   ASP  29          1HB       ASP  29  -0.893   4.193   2.752
  182    H    GLY  30           H        GLY  30  -0.034   2.268  -0.085
  183   1HA   GLY  30          2HA       GLY  30  -0.904   0.100  -1.556
  184   2HA   GLY  30          1HA       GLY  30   0.766   0.452  -1.218
  185    H    PHE  31           H        PHE  31  -0.090  -0.150   1.829
  186    HA   PHE  31           HA       PHE  31   1.013  -2.772   1.833
  187   1HB   PHE  31          2HB       PHE  31  -0.653  -1.328   3.894
  188   2HB   PHE  31          1HB       PHE  31   0.179  -2.808   4.199
  189    HD1  PHE  31           1HD      PHE  31   1.158  -1.088   6.046
  190    HD2  PHE  31           2HD      PHE  31   2.197  -1.003   1.891
  191    HE1  PHE  31           1HE      PHE  31   3.200   0.187   6.528
  192    HE2  PHE  31           2HE      PHE  31   4.182   0.249   2.396
  193    HZ   PHE  31           HZ       PHE  31   4.704   0.837   4.693
  194    H    GLN  32           H        GLN  32   0.021  -4.640   2.741
  195    HA   GLN  32           HA       GLN  32  -2.576  -5.261   1.461
  196   1HB   GLN  32          2HB       GLN  32  -0.319  -7.013   2.461
  197   2HB   GLN  32          1HB       GLN  32  -1.771  -7.587   1.684
  198   1HG   GLN  32          2HG       GLN  32  -1.178  -6.273  -0.374
  199   2HG   GLN  32          1HG       GLN  32   0.281  -5.701   0.426
  200   1HE2  GLN  32          1HE2      GLN  32  -0.940  -8.165  -1.557
  201   2HE2  GLN  32          2HE2      GLN  32   0.333  -9.274  -1.375
  202    H    LEU  33           H        LEU  33  -4.317  -5.764   2.629
  203    HA   LEU  33           HA       LEU  33  -4.266  -5.528   5.531
  204   1HB   LEU  33          2HB       LEU  33  -6.259  -4.935   3.982
  205   2HB   LEU  33          1HB       LEU  33  -6.524  -6.654   3.800
  206    HG   LEU  33           HG       LEU  33  -6.664  -6.790   6.370
  207   1HD1  LEU  33          1HD1      LEU  33  -7.151  -4.658   7.554
  208   2HD1  LEU  33          2HD1      LEU  33  -6.839  -3.757   6.086
  209   3HD1  LEU  33          3HD1      LEU  33  -5.537  -4.619   6.880
  210   1HD2  LEU  33          1HD2      LEU  33  -8.706  -6.853   4.990
  211   2HD2  LEU  33          2HD2      LEU  33  -8.762  -5.098   4.973
  212   3HD2  LEU  33          3HD2      LEU  33  -8.991  -5.966   6.477
  213    H    VAL  34           H        VAL  34  -3.586  -7.194   6.807
  214    HA   VAL  34           HA       VAL  34  -4.053  -9.997   5.861
  215    HB   VAL  34           HB       VAL  34  -1.506  -8.908   7.150
  216   1HG1  VAL  34          1HG1      VAL  34  -0.608 -11.205   6.809
  217   2HG1  VAL  34          2HG1      VAL  34  -2.167 -11.738   6.201
  218   3HG1  VAL  34          3HG1      VAL  34  -1.994 -11.255   7.879
  219   1HG2  VAL  34          1HG2      VAL  34  -1.725  -8.327   4.735
  220   2HG2  VAL  34          2HG2      VAL  34  -2.016 -10.013   4.350
  221   3HG2  VAL  34          3HG2      VAL  34  -0.455  -9.509   4.977
  222    H    ALA  35           H        ALA  35  -3.058  -8.172   8.711
  223    HA   ALA  35           HA       ALA  35  -4.056 -10.156  10.499
  224   1HB   ALA  35          1HB       ALA  35  -2.848  -7.422  10.963
  225   2HB   ALA  35          2HB       ALA  35  -2.009  -8.957  11.010
  226   3HB   ALA  35          3HB       ALA  35  -3.191  -8.572  12.249
  227    H    GLN  36           H        GLN  36  -6.167  -9.747   9.307
  228    HA   GLN  36           HA       GLN  36  -8.426  -9.351   9.439
  229   1HB   GLN  36          2HB       GLN  36  -7.780  -8.290  12.234
  230   2HB   GLN  36          1HB       GLN  36  -9.378  -8.679  11.636
  231   1HG   GLN  36          2HG       GLN  36  -8.705 -11.043  11.281
  232   2HG   GLN  36          1HG       GLN  36  -7.080 -10.677  11.848
  233   1HE2  GLN  36          1HE2      GLN  36  -6.919  -9.828  14.142
  234   2HE2  GLN  36          2HE2      GLN  36  -8.055 -10.377  15.279
  235    H    ARG  37           H        ARG  37  -7.252  -6.549  11.260
  236    HA   ARG  37           HA       ARG  37  -8.567  -4.727   9.281
  237   1HB   ARG  37          2HB       ARG  37  -8.202  -4.371  12.275
  238   2HB   ARG  37          1HB       ARG  37  -8.919  -3.180  11.219
  239   1HG   ARG  37          2HG       ARG  37  -9.993  -5.978  11.787
  240   2HG   ARG  37          1HG       ARG  37 -10.589  -4.501  12.514
  241   1HD   ARG  37          2HD       ARG  37 -10.616  -5.115   9.540
  242   2HD   ARG  37          1HD       ARG  37 -12.006  -5.197  10.614
  243    HE   ARG  37           HE       ARG  37 -10.760  -2.766   9.557
  244   1HH1  ARG  37          2HH1      ARG  37 -12.747  -4.128  12.053
  245   2HH1  ARG  37          1HH1      ARG  37 -13.505  -2.619  12.426
  246   1HH2  ARG  37          1HH2      ARG  37 -11.707  -0.848  10.015
  247   2HH2  ARG  37          2HH2      ARG  37 -12.907  -0.735  11.258
  248    H    ARG  38           H        ARG  38  -5.706  -5.738  10.618
  249    HA   ARG  38           HA       ARG  38  -4.305  -3.152  10.155
  250   1HB   ARG  38          2HB       ARG  38  -4.019  -4.165  12.343
  251   2HB   ARG  38          1HB       ARG  38  -3.456  -5.660  11.640
  252   1HG   ARG  38          2HG       ARG  38  -1.507  -4.372  10.625
  253   2HG   ARG  38          1HG       ARG  38  -2.079  -2.939  11.461
  254   1HD   ARG  38          2HD       ARG  38  -1.154  -5.537  12.783
  255   2HD   ARG  38          1HD       ARG  38  -0.289  -4.013  12.756
  256    HE   ARG  38           HE       ARG  38  -1.832  -3.086  14.313
  257   1HH1  ARG  38          2HH1      ARG  38  -2.649  -6.351  13.429
  258   2HH1  ARG  38          1HH1      ARG  38  -3.742  -6.542  14.755
  259   1HH2  ARG  38          1HH2      ARG  38  -3.216  -3.326  15.985
  260   2HH2  ARG  38          2HH2      ARG  38  -4.072  -4.814  16.215
  261    H    CYS  39           H        CYS  39  -3.327  -2.894   8.372
  262    HA   CYS  39           HA       CYS  39  -2.600  -5.139   6.592
  263   1HB   CYS  39          2HB       CYS  39  -2.286  -3.288   4.916
  264   2HB   CYS  39          1HB       CYS  39  -3.888  -3.287   5.616
  265    H    GLU  40           H        GLU  40  -0.500  -4.636   5.263
  266    HA   GLU  40           HA       GLU  40   1.581  -3.295   6.794
  267   1HB   GLU  40          2HB       GLU  40   1.386  -5.434   8.040
  268   2HB   GLU  40          1HB       GLU  40   1.681  -6.329   6.558
  269   1HG   GLU  40          2HG       GLU  40   3.906  -5.294   6.333
  270   2HG   GLU  40          1HG       GLU  40   3.605  -4.271   7.724
  271    H    ASP  41           H        ASP  41   3.500  -3.197   5.970
  272    HA   ASP  41           HA       ASP  41   3.848  -2.701   3.224
  273   1HB   ASP  41          2HB       ASP  41   5.089  -1.607   5.172
  274   2HB   ASP  41          1HB       ASP  41   5.899  -3.114   5.438
  275    H    ILE  42           H        ILE  42   6.021  -3.468   2.307
  276    HA   ILE  42           HA       ILE  42   6.348  -6.323   2.214
  277    HB   ILE  42           HB       ILE  42   4.849  -5.793   0.313
  278   1HG1  ILE  42          2HG1      ILE  42   6.235  -6.325  -1.673
  279   2HG1  ILE  42          1HG1      ILE  42   7.686  -6.011  -0.741
  280   1HG2  ILE  42          1HG2      ILE  42   5.136  -3.355   0.217
  281   2HG2  ILE  42          2HG2      ILE  42   5.337  -4.059  -1.375
  282   3HG2  ILE  42          3HG2      ILE  42   6.739  -3.530  -0.475
  283   1HD1  ILE  42          1HD1      ILE  42   7.073  -7.870   0.822
  284   2HD1  ILE  42          2HD1      ILE  42   7.198  -8.442  -0.828
  285   3HD1  ILE  42          3HD1      ILE  42   5.617  -8.168  -0.114
  286    H    ASP  43           H        ASP  43   8.384  -6.464   2.932
  287    HA   ASP  43           HA       ASP  43  10.233  -4.194   2.572
  288   1HB   ASP  43          2HB       ASP  43  10.016  -5.375   4.772
  289   2HB   ASP  43          1HB       ASP  43  10.706  -6.814   4.045
  290    H    GLU  44           H        GLU  44  10.963  -4.112   0.680
  291    HA   GLU  44           HA       GLU  44  11.917  -6.369  -0.896
  292   1HB   GLU  44          2HB       GLU  44  12.337  -4.617  -2.625
  293   2HB   GLU  44          1HB       GLU  44  10.693  -4.634  -2.044
  294   1HG   GLU  44          2HG       GLU  44  12.811  -2.667  -1.059
  295   2HG   GLU  44          1HG       GLU  44  11.659  -2.337  -2.331
  296    H    CYS  45           H        CYS  45  13.390  -4.340   1.468
  297    HA   CYS  45           HA       CYS  45  15.931  -4.068   0.279
  298   1HB   CYS  45          2HB       CYS  45  15.084  -4.066   3.183
  299   2HB   CYS  45          1HB       CYS  45  16.698  -3.814   2.683
  300    H    GLN  46           H        GLN  46  14.944  -5.993   2.975
  301    HA   GLN  46           HA       GLN  46  17.016  -7.681   3.449
  302   1HB   GLN  46          2HB       GLN  46  14.057  -8.404   3.462
  303   2HB   GLN  46          1HB       GLN  46  15.302  -9.261   4.341
  304   1HG   GLN  46          2HG       GLN  46  14.527  -6.339   4.777
  305   2HG   GLN  46          1HG       GLN  46  14.123  -7.672   5.841
  306   1HE2  GLN  46          1HE2      GLN  46  16.645  -5.477   4.839
  307   2HE2  GLN  46          2HE2      GLN  46  17.798  -5.957   5.990
  308    H    ASP  47           H        ASP  47  14.497  -8.291   1.069
  309    HA   ASP  47           HA       ASP  47  15.696 -10.715   0.165
  310   1HB   ASP  47          2HB       ASP  47  13.259 -10.434   0.018
  311   2HB   ASP  47          1HB       ASP  47  13.457  -9.041  -1.032
  312    HA   PRO  48           HA       PRO  48  18.627  -8.657  -2.557
  313   1HB   PRO  48          2HB       PRO  48  18.463 -11.132  -4.251
  314   2HB   PRO  48          1HB       PRO  48  19.856 -10.400  -3.496
  315   1HG   PRO  48          2HG       PRO  48  18.791 -12.642  -2.535
  316   2HG   PRO  48          1HG       PRO  48  19.492 -11.414  -1.468
  317   1HD   PRO  48          2HD       PRO  48  16.617 -12.012  -2.028
  318   2HD   PRO  48          1HD       PRO  48  17.422 -11.545  -0.515
  319    H    ASP  49           H        ASP  49  17.250  -7.098  -3.291
  320    HA   ASP  49           HA       ASP  49  16.208  -7.463  -6.025
  321   1HB   ASP  49          2HB       ASP  49  14.289  -7.938  -4.577
  322   2HB   ASP  49          1HB       ASP  49  14.607  -6.487  -3.644
  323    H    THR  50           H        THR  50  16.699  -5.218  -3.360
  324    HA   THR  50           HA       THR  50  16.893  -2.922  -5.180
  325    HB   THR  50           HB       THR  50  17.243  -3.096  -2.112
  326    HG1  THR  50           1HG      THR  50  15.119  -2.933  -3.947
  327   1HG2  THR  50          1HG2      THR  50  16.433  -0.806  -3.999
  328   2HG2  THR  50          2HG2      THR  50  18.034  -0.960  -3.312
  329   3HG2  THR  50          3HG2      THR  50  16.655  -0.680  -2.259
  330    H    CYS  51           H        CYS  51  19.134  -2.774  -2.568
  331    HA   CYS  51           HA       CYS  51  21.382  -2.864  -4.494
  332   1HB   CYS  51          2HB       CYS  51  20.968  -1.650  -1.762
  333   2HB   CYS  51          1HB       CYS  51  22.533  -1.707  -2.523
  334    H    SER  52           H        SER  52  23.461  -3.820  -3.788
  335    HA   SER  52           HA       SER  52  23.258  -6.530  -3.208
  336   1HB   SER  52          2HB       SER  52  25.258  -5.511  -4.266
  337   2HB   SER  52          1HB       SER  52  25.673  -4.744  -2.721
  338    HG   SER  52           HG       SER  52  25.148  -7.491  -2.805
  339    H    GLN  53           H        GLN  53  24.457  -4.113  -0.933
  340    HA   GLN  53           HA       GLN  53  23.977  -6.071   1.271
  341   1HB   GLN  53          2HB       GLN  53  25.820  -3.669   1.166
  342   2HB   GLN  53          1HB       GLN  53  25.622  -4.746   2.539
  343   1HG   GLN  53          2HG       GLN  53  26.540  -5.605  -0.230
  344   2HG   GLN  53          1HG       GLN  53  27.619  -5.349   1.132
  345   1HE2  GLN  53          1HE2      GLN  53  25.587  -7.636  -0.429
  346   2HE2  GLN  53          2HE2      GLN  53  25.665  -8.851   0.754
  347    H    LEU  54           H        LEU  54  24.381  -2.626   1.922
  348    HA   LEU  54           HA       LEU  54  22.068  -2.754   3.590
  349   1HB   LEU  54          2HB       LEU  54  23.723  -0.413   2.788
  350   2HB   LEU  54          1HB       LEU  54  22.466  -0.422   4.011
  351    HG   LEU  54           HG       LEU  54  25.150  -1.781   4.122
  352   1HD1  LEU  54          1HD1      LEU  54  25.262  -0.261   6.100
  353   2HD1  LEU  54          2HD1      LEU  54  23.613   0.257   5.771
  354   3HD1  LEU  54          3HD1      LEU  54  24.885   0.657   4.637
  355   1HD2  LEU  54          1HD2      LEU  54  24.432  -2.633   6.306
  356   2HD2  LEU  54          2HD2      LEU  54  23.385  -3.297   5.058
  357   3HD2  LEU  54          3HD2      LEU  54  22.817  -1.962   6.060
  358    H    CYS  55           H        CYS  55  20.563  -1.522   3.837
  359    HA   CYS  55           HA       CYS  55  19.346   0.244   1.873
  360   1HB   CYS  55          2HB       CYS  55  18.944  -2.026   0.918
  361   2HB   CYS  55          1HB       CYS  55  18.188  -2.519   2.378
  362    H    VAL  56           H        VAL  56  16.940   0.619   2.704
  363    HA   VAL  56           HA       VAL  56  16.656   0.401   5.641
  364    HB   VAL  56           HB       VAL  56  16.609   3.105   4.190
  365   1HG1  VAL  56          1HG1      VAL  56  16.306   4.067   6.465
  366   2HG1  VAL  56          2HG1      VAL  56  16.276   2.451   7.150
  367   3HG1  VAL  56          3HG1      VAL  56  14.991   2.974   6.075
  368   1HG2  VAL  56          1HG2      VAL  56  18.635   2.062   6.210
  369   2HG2  VAL  56          2HG2      VAL  56  18.604   3.689   5.554
  370   3HG2  VAL  56          3HG2      VAL  56  18.932   2.331   4.498
  371    H    ASN  57           H        ASN  57  14.781  -0.653   5.532
  372    HA   ASN  57           HA       ASN  57  12.740  -0.016   3.526
  373   1HB   ASN  57          2HB       ASN  57  13.198  -2.388   4.186
  374   2HB   ASN  57          1HB       ASN  57  12.675  -1.988   5.819
  375   1HD2  ASN  57          1HD2      ASN  57  10.764  -3.164   6.017
  376   2HD2  ASN  57          2HD2      ASN  57   9.433  -2.996   4.977
  377    H    LEU  58           H        LEU  58  10.665   0.320   3.992
  378    HA   LEU  58           HA       LEU  58   9.334   1.111   6.366
  379   1HB   LEU  58          2HB       LEU  58   9.199   3.556   6.142
  380   2HB   LEU  58          1HB       LEU  58  10.862   3.110   6.335
  381    HG   LEU  58           HG       LEU  58   9.672   3.669   3.581
  382   1HD1  LEU  58          1HD1      LEU  58  10.734   5.907   3.800
  383   2HD1  LEU  58          2HD1      LEU  58  11.236   5.537   5.442
  384   3HD1  LEU  58          3HD1      LEU  58   9.530   5.705   5.058
  385   1HD2  LEU  58          1HD2      LEU  58  12.051   3.989   3.031
  386   2HD2  LEU  58          2HD2      LEU  58  11.779   2.380   3.653
  387   3HD2  LEU  58          3HD2      LEU  58  12.501   3.609   4.682
  388    H    GLU  59           H        GLU  59   7.755   3.083   5.201
  389    HA   GLU  59           HA       GLU  59   6.046   1.407   3.599
  390   1HB   GLU  59          2HB       GLU  59   5.096   3.097   5.263
  391   2HB   GLU  59          1HB       GLU  59   5.778   4.394   4.304
  392   1HG   GLU  59          2HG       GLU  59   4.235   3.893   2.424
  393   2HG   GLU  59          1HG       GLU  59   3.650   2.460   3.216
  394    H    GLY  60           H        GLY  60   7.101   0.807   2.099
  395   1HA   GLY  60          2HA       GLY  60   7.656   0.565  -0.062
  396   2HA   GLY  60          1HA       GLY  60   6.434   1.791  -0.362
  397    H    GLY  61           H        GLY  61   8.388   3.398   1.521
  398   1HA   GLY  61          2HA       GLY  61   9.811   4.783  -0.650
  399   2HA   GLY  61          1HA       GLY  61   9.673   5.314   1.024
  400    H    TYR  62           H        TYR  62  10.656   2.140   0.600
  401    HA   TYR  62           HA       TYR  62  13.003   2.213   2.036
  402   1HB   TYR  62          2HB       TYR  62  13.649   0.098   0.996
  403   2HB   TYR  62          1HB       TYR  62  11.906   0.145   1.205
  404    HD1  TYR  62           1HD      TYR  62  14.633   0.041  -1.176
  405    HD2  TYR  62           2HD      TYR  62  10.438   0.656  -0.812
  406    HE1  TYR  62           1HE      TYR  62  14.388  -0.265  -3.584
  407    HE2  TYR  62           2HE      TYR  62  10.192   0.351  -3.228
  408    HH   TYR  62           HH       TYR  62  12.410   0.650  -5.363
  409    H    LYS  63           H        LYS  63  15.109   2.695   1.814
  410    HA   LYS  63           HA       LYS  63  16.097   3.511  -0.842
  411   1HB   LYS  63          2HB       LYS  63  17.313   5.266   0.387
  412   2HB   LYS  63          1HB       LYS  63  15.614   5.550   0.177
  413   1HG   LYS  63          2HG       LYS  63  15.382   4.665   2.622
  414   2HG   LYS  63          1HG       LYS  63  17.133   4.509   2.651
  415   1HD   LYS  63          2HD       LYS  63  17.363   6.956   2.265
  416   2HD   LYS  63          1HD       LYS  63  15.616   7.118   2.234
  417   1HE   LYS  63          2HE       LYS  63  16.512   7.700   4.477
  418   2HE   LYS  63          1HE       LYS  63  15.493   6.272   4.580
  419   1HZ   LYS  63          1HZ       LYS  63  17.426   4.888   4.572
  420   2HZ   LYS  63          2HZ       LYS  63  17.577   6.047   5.801
  421   3HZ   LYS  63          3HZ       LYS  63  18.448   6.224   4.353
  422    H    CYS  64           H        CYS  64  18.129   3.348  -1.202
  423    HA   CYS  64           HA       CYS  64  19.569   1.205   0.119
  424   1HB   CYS  64          2HB       CYS  64  20.217   2.941  -2.211
  425   2HB   CYS  64          1HB       CYS  64  21.290   1.720  -1.633
  426    H    GLN  65           H        GLN  65  21.716   1.210   0.451
  427    HA   GLN  65           HA       GLN  65  23.354   3.500   1.239
  428   1HB   GLN  65          2HB       GLN  65  22.873   1.360   3.336
  429   2HB   GLN  65          1HB       GLN  65  23.718   2.849   3.509
  430   1HG   GLN  65          2HG       GLN  65  21.683   4.183   3.390
  431   2HG   GLN  65          1HG       GLN  65  20.714   2.731   3.152
  432   1HE2  GLN  65          1HE2      GLN  65  21.178   0.963   4.935
  433   2HE2  GLN  65          2HE2      GLN  65  21.267   1.544   6.527
  434    H    CYS  66           H        CYS  66  25.403   2.069   2.351
  435    HA   CYS  66           HA       CYS  66  25.803  -0.323   0.668
  436   1HB   CYS  66          2HB       CYS  66  27.776   1.912   1.022
  437   2HB   CYS  66          1HB       CYS  66  27.957   0.476   0.175
  438    H    GLU  67           H        GLU  67  27.625  -1.599   1.283
  439    HA   GLU  67           HA       GLU  67  27.816  -1.839   4.205
  440   1HB   GLU  67          2HB       GLU  67  27.459  -3.847   2.789
  441   2HB   GLU  67          1HB       GLU  67  28.983  -3.577   1.980
  442   1HG   GLU  67          2HG       GLU  67  29.142  -5.325   3.766
  443   2HG   GLU  67          1HG       GLU  67  30.205  -3.986   4.129
  444    H    GLU  68           H        GLU  68  28.930   0.237   4.281
  445    HA   GLU  68           HA       GLU  68  30.798   1.545   4.675
  446   1HB   GLU  68          2HB       GLU  68  32.083  -1.208   5.014
  447   2HB   GLU  68          1HB       GLU  68  32.774   0.297   5.574
  448   1HG   GLU  68          2HG       GLU  68  30.824   0.657   7.067
  449   2HG   GLU  68          1HG       GLU  68  30.045  -0.785   6.440
  450    H    GLY  69           H        GLY  69  32.627  -1.048   3.217
  451   1HA   GLY  69          2HA       GLY  69  34.256   0.596   1.633
  452   2HA   GLY  69          1HA       GLY  69  34.136  -1.147   1.490
  453    H    PHE  70           H        PHE  70  31.135  -0.835   0.957
  454    HA   PHE  70           HA       PHE  70  31.398  -0.743  -1.854
  455   1HB   PHE  70          2HB       PHE  70  29.085  -0.993   0.022
  456   2HB   PHE  70          1HB       PHE  70  28.809  -0.957  -1.709
  457    HD1  PHE  70           1HD      PHE  70  31.681  -2.764  -0.123
  458    HD2  PHE  70           2HD      PHE  70  27.758  -3.102  -1.758
  459    HE1  PHE  70           1HE      PHE  70  31.889  -5.195  -0.117
  460    HE2  PHE  70           2HE      PHE  70  27.982  -5.534  -1.755
  461    HZ   PHE  70           HZ       PHE  70  30.041  -6.594  -0.940
  462    H    GLN  71           H        GLN  71  30.170   0.652  -3.280
  463    HA   GLN  71           HA       GLN  71  29.450   3.272  -2.205
  464   1HB   GLN  71          2HB       GLN  71  31.444   2.540  -4.309
  465   2HB   GLN  71          1HB       GLN  71  30.552   3.996  -4.548
  466   1HG   GLN  71          2HG       GLN  71  32.154   3.348  -2.018
  467   2HG   GLN  71          1HG       GLN  71  32.708   4.423  -3.300
  468   1HE2  GLN  71          1HE2      GLN  71  32.389   5.492  -0.738
  469   2HE2  GLN  71          2HE2      GLN  71  31.046   6.527  -0.698
  470    H    LEU  72           H        LEU  72  28.555   4.616  -3.852
  471    HA   LEU  72           HA       LEU  72  26.190   3.213  -4.898
  472   1HB   LEU  72          2HB       LEU  72  26.016   5.463  -3.835
  473   2HB   LEU  72          1HB       LEU  72  26.940   6.147  -5.156
  474    HG   LEU  72           HG       LEU  72  25.173   5.263  -6.760
  475   1HD1  LEU  72          1HD1      LEU  72  23.619   4.662  -4.214
  476   2HD1  LEU  72          2HD1      LEU  72  24.208   3.465  -5.354
  477   3HD1  LEU  72          3HD1      LEU  72  22.971   4.602  -5.842
  478   1HD2  LEU  72          1HD2      LEU  72  23.496   7.017  -6.190
  479   2HD2  LEU  72          2HD2      LEU  72  25.132   7.621  -5.977
  480   3HD2  LEU  72          3HD2      LEU  72  24.182   7.148  -4.576
  481    H    ASP  73           H        ASP  73  26.621   2.018  -6.615
  482    HA   ASP  73           HA       ASP  73  28.371   2.861  -8.791
  483   1HB   ASP  73          2HB       ASP  73  28.074   0.438  -8.227
  484   2HB   ASP  73          1HB       ASP  73  26.387   0.537  -8.703
  485    HA   PRO  74           HA       PRO  74  25.009   5.128 -10.748
  486   1HB   PRO  74          2HB       PRO  74  26.279   5.927 -12.997
  487   2HB   PRO  74          1HB       PRO  74  26.676   6.607 -11.437
  488   1HG   PRO  74          2HG       PRO  74  28.096   4.432 -12.923
  489   2HG   PRO  74          1HG       PRO  74  28.768   5.845 -12.088
  490   1HD   PRO  74          2HD       PRO  74  28.710   3.377 -10.981
  491   2HD   PRO  74          1HD       PRO  74  28.609   4.861 -10.016
  492    H    HIS  75           H        HIS  75  23.873   5.115 -12.839
  493    HA   HIS  75           HA       HIS  75  22.655   4.049 -14.508
  494   1HB   HIS  75          2HB       HIS  75  25.096   2.216 -14.723
  495   2HB   HIS  75          1HB       HIS  75  23.824   2.396 -15.919
  496    HD1  HIS  75           1HD      HIS  75  26.645   4.313 -14.456
  497    HD2  HIS  75           2HD      HIS  75  23.987   4.705 -17.530
  498    HE1  HIS  75           1HE      HIS  75  27.425   6.226 -15.808
  499    H    THR  76           H        THR  76  23.312   2.733 -11.680
  500    HA   THR  76           HA       THR  76  21.311   0.561 -11.929
  501    HB   THR  76           HB       THR  76  22.781  -0.912 -10.460
  502    HG1  THR  76           1HG      THR  76  24.910  -0.170 -10.211
  503   1HG2  THR  76          1HG2      THR  76  23.058  -1.136 -13.039
  504   2HG2  THR  76          2HG2      THR  76  24.529  -1.494 -12.147
  505   3HG2  THR  76          3HG2      THR  76  24.341   0.060 -12.938
  506    H    LYS  77           H        LYS  77  23.278   2.581 -10.026
  507    HA   LYS  77           HA       LYS  77  23.002   3.762  -8.024
  508   1HB   LYS  77          2HB       LYS  77  20.192   3.010  -8.382
  509   2HB   LYS  77          1HB       LYS  77  20.729   4.197  -7.225
  510   1HG   LYS  77          2HG       LYS  77  21.715   5.537  -9.129
  511   2HG   LYS  77          1HG       LYS  77  21.039   4.379 -10.263
  512   1HD   LYS  77          2HD       LYS  77  18.750   4.891  -9.434
  513   2HD   LYS  77          1HD       LYS  77  19.416   6.037  -8.284
  514   1HE   LYS  77          2HE       LYS  77  20.349   7.383 -10.171
  515   2HE   LYS  77          1HE       LYS  77  19.662   6.239 -11.318
  516   1HZ   LYS  77          1HZ       LYS  77  18.265   8.178 -11.003
  517   2HZ   LYS  77          2HZ       LYS  77  18.116   7.820  -9.350
  518   3HZ   LYS  77          3HZ       LYS  77  17.473   6.759 -10.508
  519    H    ALA  78           H        ALA  78  23.228   0.760  -8.352
  520    HA   ALA  78           HA       ALA  78  22.282  -0.251  -5.734
  521   1HB   ALA  78          1HB       ALA  78  21.851  -1.621  -7.764
  522   2HB   ALA  78          2HB       ALA  78  22.934  -2.462  -6.662
  523   3HB   ALA  78          3HB       ALA  78  23.576  -1.672  -8.095
  524    H    CYS  79           H        CYS  79  23.718  -0.922  -4.163
  525    HA   CYS  79           HA       CYS  79  26.418   0.185  -4.393
  526   1HB   CYS  79          2HB       CYS  79  25.001  -1.133  -2.109
  527   2HB   CYS  79          1HB       CYS  79  26.644  -0.587  -2.011
  528    H    LYS  80           H        LYS  80  28.290  -0.808  -4.168
  529    HA   LYS  80           HA       LYS  80  28.537  -3.684  -3.761
  530   1HB   LYS  80          2HB       LYS  80  29.684  -4.148  -5.683
  531   2HB   LYS  80          1HB       LYS  80  28.038  -3.708  -6.147
  532   1HG   LYS  80          2HG       LYS  80  28.924  -1.347  -6.666
  533   2HG   LYS  80          1HG       LYS  80  30.552  -1.957  -6.429
  534   1HD   LYS  80          2HD       LYS  80  30.176  -3.633  -8.246
  535   2HD   LYS  80          1HD       LYS  80  28.584  -2.945  -8.525
  536   1HE   LYS  80          2HE       LYS  80  29.677  -0.711  -8.935
  537   2HE   LYS  80          1HE       LYS  80  31.241  -1.475  -8.763
  538   1HZ   LYS  80          1HZ       LYS  80  30.004  -3.053 -10.568
  539   2HZ   LYS  80          2HZ       LYS  80  31.110  -1.813 -10.923
  540   3HZ   LYS  80          3HZ       LYS  80  29.442  -1.503 -10.980
  541    H    ALA  81           H        ALA  81  30.897  -4.251  -3.637
  542    HA   ALA  81           HA       ALA  81  32.518  -2.527  -2.176
  543   1HB   ALA  81          1HB       ALA  81  32.993  -4.931  -2.462
  544   2HB   ALA  81          2HB       ALA  81  34.417  -3.977  -2.843
  545   3HB   ALA  81          3HB       ALA  81  33.441  -4.657  -4.137
  546    H    VAL  82           H        VAL  82  33.360  -0.624  -2.597
  547    HA   VAL  82           HA       VAL  82  33.369   0.786  -4.952
  548    HB   VAL  82           HB       VAL  82  33.849   1.758  -2.730
  549   1HG1  VAL  82          1HG1      VAL  82  36.117   1.574  -1.727
  550   2HG1  VAL  82          2HG1      VAL  82  36.619   0.488  -3.010
  551   3HG1  VAL  82          3HG1      VAL  82  35.398  -0.019  -1.867
  552   1HG2  VAL  82          1HG2      VAL  82  36.057   2.350  -4.743
  553   2HG2  VAL  82          2HG2      VAL  82  35.596   3.381  -3.400
  554   3HG2  VAL  82          3HG2      VAL  82  34.464   3.089  -4.710
  Start of MODEL   22
    1    H    GLY   1           H        GLY   1 -24.056  -4.578  -0.380
    2   1HA   GLY   1          2HA       GLY   1 -25.495  -4.920   2.187
    3   2HA   GLY   1          1HA       GLY   1 -23.750  -4.768   1.995
    4    H    THR   2           H        THR   2 -25.232  -3.293   3.857
    5    HA   THR   2           HA       THR   2 -26.097  -0.761   3.187
    6    HB   THR   2           HB       THR   2 -26.392  -1.651   5.411
    7    HG1  THR   2           1HG      THR   2 -26.106   0.661   4.976
    8   1HG2  THR   2          1HG2      THR   2 -24.093  -2.754   5.609
    9   2HG2  THR   2          2HG2      THR   2 -24.475  -1.733   6.992
   10   3HG2  THR   2          3HG2      THR   2 -23.389  -1.146   5.735
   11    H    ASN   3           H        ASN   3 -25.076   1.305   3.841
   12    HA   ASN   3           HA       ASN   3 -22.466   1.587   2.478
   13   1HB   ASN   3          2HB       ASN   3 -24.484   2.963   1.793
   14   2HB   ASN   3          1HB       ASN   3 -24.498   3.689   3.389
   15   1HD2  ASN   3          1HD2      ASN   3 -24.286   5.581   1.641
   16   2HD2  ASN   3          2HD2      ASN   3 -22.699   6.120   1.378
   17    H    GLU   4           H        GLU   4 -21.851   0.360   4.564
   18    HA   GLU   4           HA       GLU   4 -21.608   1.881   7.008
   19   1HB   GLU   4          2HB       GLU   4 -20.004  -0.095   7.554
   20   2HB   GLU   4          1HB       GLU   4 -21.690  -0.464   7.301
   21   1HG   GLU   4          2HG       GLU   4 -20.144  -2.052   6.208
   22   2HG   GLU   4          1HG       GLU   4 -21.236  -1.318   5.066
   23    H    CYS   5           H        CYS   5 -20.221   2.416   4.175
   24    HA   CYS   5           HA       CYS   5 -17.476   2.750   4.721
   25   1HB   CYS   5          2HB       CYS   5 -19.283   4.065   2.687
   26   2HB   CYS   5          1HB       CYS   5 -17.559   4.125   2.644
   27    H    LEU   6           H        LEU   6 -20.324   4.630   4.856
   28    HA   LEU   6           HA       LEU   6 -19.638   7.245   5.205
   29   1HB   LEU   6          2HB       LEU   6 -21.732   5.700   6.757
   30   2HB   LEU   6          1HB       LEU   6 -21.694   7.434   6.568
   31    HG   LEU   6           HG       LEU   6 -22.067   5.418   4.293
   32   1HD1  LEU   6          1HD1      LEU   6 -24.006   5.637   5.777
   33   2HD1  LEU   6          2HD1      LEU   6 -24.338   6.357   4.208
   34   3HD1  LEU   6          3HD1      LEU   6 -23.974   7.385   5.588
   35   1HD2  LEU   6          1HD2      LEU   6 -20.863   7.531   3.540
   36   2HD2  LEU   6          2HD2      LEU   6 -22.147   8.487   4.258
   37   3HD2  LEU   6          3HD2      LEU   6 -22.482   7.449   2.886
   38    H    ASP   7           H        ASP   7 -19.799   4.843   7.767
   39    HA   ASP   7           HA       ASP   7 -18.444   6.658   9.734
   40   1HB   ASP   7          2HB       ASP   7 -20.602   5.335  10.305
   41   2HB   ASP   7          1HB       ASP   7 -19.639   3.881  10.088
   42    H    ASN   8           H        ASN   8 -17.202   4.586  11.140
   43    HA   ASN   8           HA       ASN   8 -14.691   4.375  10.026
   44   1HB   ASN   8          2HB       ASN   8 -16.113   2.504  11.768
   45   2HB   ASN   8          1HB       ASN   8 -14.375   2.464  11.568
   46   1HD2  ASN   8          1HD2      ASN   8 -13.144   3.958  12.782
   47   2HD2  ASN   8          2HD2      ASN   8 -13.818   5.134  13.805
   48    H    ASN   9           H        ASN   9 -14.097   3.398   8.166
   49    HA   ASN   9           HA       ASN   9 -15.582   2.062   6.312
   50   1HB   ASN   9          2HB       ASN   9 -13.262   2.914   6.069
   51   2HB   ASN   9          1HB       ASN   9 -12.673   1.530   6.973
   52   1HD2  ASN   9          1HD2      ASN   9 -13.168  -0.671   5.962
   53   2HD2  ASN   9          2HD2      ASN   9 -13.162  -0.755   4.277
   54    H    GLY  10           H        GLY  10 -17.048   0.634   7.374
   55   1HA   GLY  10          2HA       GLY  10 -17.838  -1.434   8.044
   56   2HA   GLY  10          1HA       GLY  10 -16.420  -2.084   7.238
   57    H    GLY  11           H        GLY  11 -15.477   0.085   9.549
   58   1HA   GLY  11          2HA       GLY  11 -15.528  -0.508  12.075
   59   2HA   GLY  11          1HA       GLY  11 -14.758  -2.006  11.541
   60    H    CYS  12           H        CYS  12 -13.235  -0.813   9.442
   61    HA   CYS  12           HA       CYS  12 -11.011   0.372  10.975
   62   1HB   CYS  12          2HB       CYS  12  -9.713  -0.340   9.034
   63   2HB   CYS  12          1HB       CYS  12 -10.743  -1.647   9.570
   64    H    SER  13           H        SER  13 -10.139   1.303   8.178
   65    HA   SER  13           HA       SER  13 -11.849   3.495   7.403
   66   1HB   SER  13          2HB       SER  13 -10.276   5.317   8.141
   67   2HB   SER  13          1HB       SER  13 -10.905   4.422   9.530
   68    HG   SER  13           HG       SER  13  -8.442   3.993   8.182
   69    H    HIS  14           H        HIS  14 -10.756   1.313   6.145
   70    HA   HIS  14           HA       HIS  14  -8.685   2.395   4.314
   71   1HB   HIS  14          2HB       HIS  14  -9.377  -0.449   5.148
   72   2HB   HIS  14          1HB       HIS  14  -8.131  -0.004   4.010
   73    HD1  HIS  14           1HD      HIS  14  -8.528  -0.632   7.446
   74    HD2  HIS  14           2HD      HIS  14  -6.146   1.915   5.327
   75    HE1  HIS  14           1HE      HIS  14  -6.703   0.044   8.973
   76    H    VAL  15           H        VAL  15  -9.975  -0.450   3.209
   77    HA   VAL  15           HA       VAL  15 -11.687   0.914   1.186
   78    HB   VAL  15           HB       VAL  15 -10.411  -1.846   1.189
   79   1HG1  VAL  15          1HG1      VAL  15 -12.041  -0.482  -1.016
   80   2HG1  VAL  15          2HG1      VAL  15 -12.560  -1.869  -0.079
   81   3HG1  VAL  15          3HG1      VAL  15 -11.209  -2.020  -1.176
   82   1HG2  VAL  15          1HG2      VAL  15  -8.780  -0.057   0.839
   83   2HG2  VAL  15          2HG2      VAL  15  -9.770   0.609  -0.457
   84   3HG2  VAL  15          3HG2      VAL  15  -9.043  -0.983  -0.635
   85    H    CYS  16           H        CYS  16 -13.834   0.811   1.656
   86    HA   CYS  16           HA       CYS  16 -14.859  -1.275   3.439
   87   1HB   CYS  16          2HB       CYS  16 -16.973  -0.059   3.084
   88   2HB   CYS  16          1HB       CYS  16 -15.734   0.991   3.675
   89    H    ASN  17           H        ASN  17 -14.035  -2.913   1.987
   90    HA   ASN  17           HA       ASN  17 -15.237  -3.356  -0.617
   91   1HB   ASN  17          2HB       ASN  17 -13.039  -4.105  -0.245
   92   2HB   ASN  17          1HB       ASN  17 -13.362  -4.867   1.272
   93   1HD2  ASN  17          1HD2      ASN  17 -12.851  -7.041   0.722
   94   2HD2  ASN  17          2HD2      ASN  17 -13.532  -7.897  -0.574
   95    H    ASP  18           H        ASP  18 -17.251  -3.243  -0.275
   96    HA   ASP  18           HA       ASP  18 -18.782  -4.537   1.783
   97   1HB   ASP  18          2HB       ASP  18 -19.427  -2.425   0.472
   98   2HB   ASP  18          1HB       ASP  18 -19.835  -3.476  -0.869
   99    H    LEU  19           H        LEU  19 -18.185  -6.549   1.800
  100    HA   LEU  19           HA       LEU  19 -18.388  -8.505  -0.204
  101   1HB   LEU  19          2HB       LEU  19 -17.203  -8.420   2.141
  102   2HB   LEU  19          1HB       LEU  19 -18.771  -8.783   2.788
  103    HG   LEU  19           HG       LEU  19 -18.866 -10.919   1.527
  104   1HD1  LEU  19          1HD1      LEU  19 -16.008 -10.133   0.832
  105   2HD1  LEU  19          2HD1      LEU  19 -17.325 -10.205  -0.324
  106   3HD1  LEU  19          3HD1      LEU  19 -16.761 -11.678   0.443
  107   1HD2  LEU  19          1HD2      LEU  19 -18.068 -10.774   3.844
  108   2HD2  LEU  19          2HD2      LEU  19 -16.430 -10.487   3.291
  109   3HD2  LEU  19          3HD2      LEU  19 -17.208 -12.037   2.989
  110    H    LYS  20           H        LYS  20 -20.041 -10.430   0.170
  111    HA   LYS  20           HA       LYS  20 -22.686  -9.335  -0.185
  112   1HB   LYS  20          2HB       LYS  20 -23.390 -11.713  -0.255
  113   2HB   LYS  20          1HB       LYS  20 -21.973 -11.465  -1.254
  114   1HG   LYS  20          2HG       LYS  20 -20.524 -12.365   0.609
  115   2HG   LYS  20          1HG       LYS  20 -21.970 -12.695   1.545
  116   1HD   LYS  20          2HD       LYS  20 -21.363 -13.934  -1.154
  117   2HD   LYS  20          1HD       LYS  20 -21.161 -14.721   0.398
  118   1HE   LYS  20          2HE       LYS  20 -23.612 -14.482   0.840
  119   2HE   LYS  20          1HE       LYS  20 -23.818 -13.729  -0.737
  120   1HZ   LYS  20          1HZ       LYS  20 -22.907 -15.737  -1.748
  121   2HZ   LYS  20          2HZ       LYS  20 -24.342 -16.020  -0.884
  122   3HZ   LYS  20          3HZ       LYS  20 -22.846 -16.470  -0.216
  123    H    ILE  21           H        ILE  21 -21.051 -11.138   2.389
  124    HA   ILE  21           HA       ILE  21 -22.603  -9.840   4.491
  125    HB   ILE  21           HB       ILE  21 -22.398 -12.856   4.058
  126   1HG1  ILE  21          2HG1      ILE  21 -24.884 -11.075   4.055
  127   2HG1  ILE  21          1HG1      ILE  21 -24.185 -11.859   2.653
  128   1HG2  ILE  21          1HG2      ILE  21 -22.160 -12.245   6.435
  129   2HG2  ILE  21          2HG2      ILE  21 -23.703 -13.034   6.198
  130   3HG2  ILE  21          3HG2      ILE  21 -23.629 -11.281   6.354
  131   1HD1  ILE  21          1HD1      ILE  21 -24.651 -14.085   3.605
  132   2HD1  ILE  21          2HD1      ILE  21 -26.115 -13.131   3.441
  133   3HD1  ILE  21          3HD1      ILE  21 -25.384 -13.342   5.017
  134    H    GLY  22           H        GLY  22 -21.000  -9.146   5.841
  135   1HA   GLY  22          2HA       GLY  22 -19.258  -9.449   7.385
  136   2HA   GLY  22          1HA       GLY  22 -18.795 -10.887   6.518
  137    H    TYR  23           H        TYR  23 -19.266  -7.608   5.594
  138    HA   TYR  23           HA       TYR  23 -17.557  -6.975   3.619
  139   1HB   TYR  23          2HB       TYR  23 -17.805  -5.182   6.038
  140   2HB   TYR  23          1HB       TYR  23 -17.554  -4.693   4.372
  141    HD1  TYR  23           1HD      TYR  23 -19.782  -4.142   6.531
  142    HD2  TYR  23           2HD      TYR  23 -19.658  -6.526   3.019
  143    HE1  TYR  23           1HE      TYR  23 -22.212  -3.944   6.315
  144    HE2  TYR  23           2HE      TYR  23 -22.091  -6.326   2.799
  145    HH   TYR  23           HH       TYR  23 -23.861  -4.209   3.919
  146    H    GLU  24           H        GLU  24 -15.517  -5.770   3.466
  147    HA   GLU  24           HA       GLU  24 -13.539  -6.461   5.571
  148   1HB   GLU  24          2HB       GLU  24 -13.481  -8.252   3.959
  149   2HB   GLU  24          1HB       GLU  24 -13.344  -7.112   2.628
  150   1HG   GLU  24          2HG       GLU  24 -11.121  -6.466   3.333
  151   2HG   GLU  24          1HG       GLU  24 -11.246  -7.423   4.804
  152    H    CYS  25           H        CYS  25 -11.527  -5.593   5.271
  153    HA   CYS  25           HA       CYS  25 -11.449  -2.843   4.380
  154   1HB   CYS  25          2HB       CYS  25 -10.161  -4.284   6.679
  155   2HB   CYS  25          1HB       CYS  25  -9.755  -2.651   6.244
  156    H    LEU  26           H        LEU  26 -10.689  -3.502   2.243
  157    HA   LEU  26           HA       LEU  26  -8.179  -4.948   1.976
  158   1HB   LEU  26          2HB       LEU  26  -9.599  -3.307  -0.152
  159   2HB   LEU  26          1HB       LEU  26  -8.468  -4.590  -0.366
  160    HG   LEU  26           HG       LEU  26 -11.212  -5.049   0.799
  161   1HD1  LEU  26          1HD1      LEU  26 -11.292  -4.414  -1.618
  162   2HD1  LEU  26          2HD1      LEU  26 -11.665  -6.115  -1.440
  163   3HD1  LEU  26          3HD1      LEU  26 -10.080  -5.628  -1.988
  164   1HD2  LEU  26          1HD2      LEU  26  -9.074  -7.012  -0.109
  165   2HD2  LEU  26          2HD2      LEU  26 -10.686  -7.424   0.448
  166   3HD2  LEU  26          3HD2      LEU  26  -9.533  -6.704   1.560
  167    H    CYS  27           H        CYS  27  -6.880  -3.689   0.083
  168    HA   CYS  27           HA       CYS  27  -5.540  -1.490   1.431
  169   1HB   CYS  27          2HB       CYS  27  -4.926  -3.115  -0.996
  170   2HB   CYS  27          1HB       CYS  27  -3.971  -1.739  -0.542
  171    HA   PRO  28           HA       PRO  28  -7.416   1.591  -1.182
  172   1HB   PRO  28          2HB       PRO  28  -5.753   3.694  -0.497
  173   2HB   PRO  28          1HB       PRO  28  -7.095   3.160   0.469
  174   1HG   PRO  28          2HG       PRO  28  -4.214   2.706   0.888
  175   2HG   PRO  28          1HG       PRO  28  -5.526   2.813   2.064
  176   1HD   PRO  28          2HD       PRO  28  -4.295   0.475   1.194
  177   2HD   PRO  28          1HD       PRO  28  -5.847   0.585   2.046
  178    H    ASP  29           H        ASP  29  -3.976   2.282  -0.996
  179    HA   ASP  29           HA       ASP  29  -3.780   2.505  -3.922
  180   1HB   ASP  29          2HB       ASP  29  -1.661   3.626  -3.394
  181   2HB   ASP  29          1HB       ASP  29  -2.930   4.285  -2.396
  182    H    GLY  30           H        GLY  30  -0.962   2.007  -3.920
  183   1HA   GLY  30          2HA       GLY  30  -0.781  -0.573  -4.845
  184   2HA   GLY  30          1HA       GLY  30   0.584   0.413  -4.408
  185    H    PHE  31           H        PHE  31  -0.001   0.411  -1.485
  186    HA   PHE  31           HA       PHE  31   1.490  -1.757  -0.677
  187   1HB   PHE  31          2HB       PHE  31  -0.744  -0.340   0.820
  188   2HB   PHE  31          1HB       PHE  31   0.507  -1.299   1.579
  189    HD1  PHE  31           1HD      PHE  31  -0.271   1.991   1.053
  190    HD2  PHE  31           2HD      PHE  31   2.909  -0.713   0.352
  191    HE1  PHE  31           1HE      PHE  31   1.306   3.871   0.955
  192    HE2  PHE  31           2HE      PHE  31   4.503   1.151   0.259
  193    HZ   PHE  31           HZ       PHE  31   3.714   3.432   0.587
  194    H    GLN  32           H        GLN  32   0.998  -3.433   0.801
  195    HA   GLN  32           HA       GLN  32  -1.164  -5.223  -0.236
  196   1HB   GLN  32          2HB       GLN  32   1.176  -6.041  -0.455
  197   2HB   GLN  32          1HB       GLN  32   1.397  -5.863   1.281
  198   1HG   GLN  32          2HG       GLN  32  -0.366  -7.578   1.690
  199   2HG   GLN  32          1HG       GLN  32  -0.609  -7.746  -0.044
  200   1HE2  GLN  32          1HE2      GLN  32   0.682  -9.291  -1.056
  201   2HE2  GLN  32          2HE2      GLN  32   2.076  -9.985  -0.379
  202    H    LEU  33           H        LEU  33  -2.442  -6.357   1.264
  203    HA   LEU  33           HA       LEU  33  -2.853  -4.903   3.812
  204   1HB   LEU  33          2HB       LEU  33  -4.755  -5.797   2.228
  205   2HB   LEU  33          1HB       LEU  33  -4.374  -7.383   2.856
  206    HG   LEU  33           HG       LEU  33  -4.649  -6.303   5.221
  207   1HD1  LEU  33          1HD1      LEU  33  -6.088  -4.264   5.269
  208   2HD1  LEU  33          2HD1      LEU  33  -6.008  -4.176   3.523
  209   3HD1  LEU  33          3HD1      LEU  33  -4.561  -3.933   4.479
  210   1HD2  LEU  33          1HD2      LEU  33  -6.314  -7.858   4.340
  211   2HD2  LEU  33          2HD2      LEU  33  -7.111  -6.546   3.474
  212   3HD2  LEU  33          3HD2      LEU  33  -7.084  -6.555   5.232
  213    H    VAL  34           H        VAL  34  -0.518  -5.747   4.134
  214    HA   VAL  34           HA       VAL  34  -0.212  -8.508   4.968
  215    HB   VAL  34           HB       VAL  34   1.588  -7.306   3.856
  216   1HG1  VAL  34          1HG1      VAL  34   1.660  -5.529   6.310
  217   2HG1  VAL  34          2HG1      VAL  34   1.142  -5.046   4.700
  218   3HG1  VAL  34          3HG1      VAL  34   2.813  -5.510   4.986
  219   1HG2  VAL  34          1HG2      VAL  34   2.302  -8.014   6.732
  220   2HG2  VAL  34          2HG2      VAL  34   3.440  -7.877   5.404
  221   3HG2  VAL  34          3HG2      VAL  34   2.220  -9.137   5.385
  222    H    ALA  35           H        ALA  35  -0.413  -5.410   6.646
  223    HA   ALA  35           HA       ALA  35  -0.139  -6.636   9.216
  224   1HB   ALA  35          1HB       ALA  35  -0.395  -4.279  10.043
  225   2HB   ALA  35          2HB       ALA  35  -0.720  -3.777   8.393
  226   3HB   ALA  35          3HB       ALA  35   0.838  -4.454   8.805
  227    H    GLN  36           H        GLN  36  -2.204  -7.854   8.134
  228    HA   GLN  36           HA       GLN  36  -4.312  -8.641   8.540
  229   1HB   GLN  36          2HB       GLN  36  -4.382  -6.639  10.850
  230   2HB   GLN  36          1HB       GLN  36  -5.489  -7.967  10.597
  231   1HG   GLN  36          2HG       GLN  36  -3.641  -9.606  10.798
  232   2HG   GLN  36          1HG       GLN  36  -2.483  -8.298  11.009
  233   1HE2  GLN  36          1HE2      GLN  36  -4.377 -10.465  12.729
  234   2HE2  GLN  36          2HE2      GLN  36  -4.434  -9.642  14.213
  235    H    ARG  37           H        ARG  37  -4.925  -5.306   9.549
  236    HA   ARG  37           HA       ARG  37  -6.931  -5.046   7.335
  237   1HB   ARG  37          2HB       ARG  37  -7.035  -3.778  10.111
  238   2HB   ARG  37          1HB       ARG  37  -8.276  -3.672   8.883
  239   1HG   ARG  37          2HG       ARG  37  -7.391  -6.223  10.308
  240   2HG   ARG  37          1HG       ARG  37  -8.875  -5.344  10.604
  241   1HD   ARG  37          2HD       ARG  37  -9.621  -5.804   8.275
  242   2HD   ARG  37          1HD       ARG  37  -8.137  -6.712   7.983
  243    HE   ARG  37           HE       ARG  37  -9.366  -7.781  10.299
  244   1HH1  ARG  37          2HH1      ARG  37  -9.860  -7.483   6.881
  245   2HH1  ARG  37          1HH1      ARG  37 -10.765  -8.954   6.765
  246   1HH2  ARG  37          1HH2      ARG  37 -10.508  -9.651  10.180
  247   2HH2  ARG  37          2HH2      ARG  37 -11.139 -10.204   8.664
  248    H    ARG  38           H        ARG  38  -4.134  -3.871   8.775
  249    HA   ARG  38           HA       ARG  38  -4.335  -1.148   7.666
  250   1HB   ARG  38          2HB       ARG  38  -2.114  -2.542   9.238
  251   2HB   ARG  38          1HB       ARG  38  -2.148  -0.863   8.804
  252   1HG   ARG  38          2HG       ARG  38  -2.731  -1.051  11.151
  253   2HG   ARG  38          1HG       ARG  38  -4.187  -0.593  10.294
  254   1HD   ARG  38          2HD       ARG  38  -5.022  -2.927  10.388
  255   2HD   ARG  38          1HD       ARG  38  -3.496  -3.447  11.101
  256    HE   ARG  38           HE       ARG  38  -4.799  -1.364  12.638
  257   1HH1  ARG  38          2HH1      ARG  38  -4.727  -4.756  11.904
  258   2HH1  ARG  38          1HH1      ARG  38  -5.404  -5.220  13.428
  259   1HH2  ARG  38          1HH2      ARG  38  -5.664  -1.936  14.584
  260   2HH2  ARG  38          2HH2      ARG  38  -5.944  -3.602  14.966
  261    H    CYS  39           H        CYS  39  -3.542  -0.828   5.638
  262    HA   CYS  39           HA       CYS  39  -2.080  -3.061   4.363
  263   1HB   CYS  39          2HB       CYS  39  -4.051  -2.107   3.252
  264   2HB   CYS  39          1HB       CYS  39  -3.230  -0.570   3.129
  265    H    GLU  40           H        GLU  40   0.000  -3.083   4.146
  266    HA   GLU  40           HA       GLU  40   1.543  -0.609   3.604
  267   1HB   GLU  40          2HB       GLU  40   1.720  -1.008   6.049
  268   2HB   GLU  40          1HB       GLU  40   2.215  -2.667   5.765
  269   1HG   GLU  40          2HG       GLU  40   4.282  -1.911   4.662
  270   2HG   GLU  40          1HG       GLU  40   3.759  -0.249   4.741
  271    H    ASP  41           H        ASP  41   3.696  -1.090   2.773
  272    HA   ASP  41           HA       ASP  41   3.631  -3.151   0.737
  273   1HB   ASP  41          2HB       ASP  41   4.810  -0.968   0.308
  274   2HB   ASP  41          1HB       ASP  41   5.884  -1.293   1.640
  275    H    ILE  42           H        ILE  42   5.445  -4.663   0.451
  276    HA   ILE  42           HA       ILE  42   5.721  -6.388   2.676
  277    HB   ILE  42           HB       ILE  42   7.298  -7.683   1.199
  278   1HG1  ILE  42          2HG1      ILE  42   7.066  -5.274  -0.682
  279   2HG1  ILE  42          1HG1      ILE  42   8.500  -5.673   0.236
  280   1HG2  ILE  42          1HG2      ILE  42   4.849  -7.907   0.870
  281   2HG2  ILE  42          2HG2      ILE  42   5.671  -8.061  -0.667
  282   3HG2  ILE  42          3HG2      ILE  42   4.854  -6.563  -0.259
  283   1HD1  ILE  42          1HD1      ILE  42   8.678  -7.835  -0.968
  284   2HD1  ILE  42          2HD1      ILE  42   8.707  -6.472  -2.075
  285   3HD1  ILE  42          3HD1      ILE  42   7.252  -7.432  -1.913
  286    H    ASP  43           H        ASP  43   8.254  -7.093   3.284
  287    HA   ASP  43           HA       ASP  43   9.553  -4.502   3.998
  288   1HB   ASP  43          2HB       ASP  43   8.800  -6.079   5.794
  289   2HB   ASP  43          1HB       ASP  43  10.012  -7.219   5.250
  290    H    GLU  44           H        GLU  44  10.998  -3.998   2.494
  291    HA   GLU  44           HA       GLU  44  12.655  -5.995   1.168
  292   1HB   GLU  44          2HB       GLU  44  13.598  -3.863   0.024
  293   2HB   GLU  44          1HB       GLU  44  11.961  -4.316  -0.350
  294   1HG   GLU  44          2HG       GLU  44  12.483  -2.267   1.791
  295   2HG   GLU  44          1HG       GLU  44  12.529  -1.855   0.096
  296    H    CYS  45           H        CYS  45  12.953  -4.317   4.110
  297    HA   CYS  45           HA       CYS  45  15.770  -3.868   3.943
  298   1HB   CYS  45          2HB       CYS  45  13.783  -3.777   6.199
  299   2HB   CYS  45          1HB       CYS  45  15.468  -3.618   6.501
  300    H    GLN  46           H        GLN  46  13.881  -5.763   6.205
  301    HA   GLN  46           HA       GLN  46  15.730  -7.488   7.237
  302   1HB   GLN  46          2HB       GLN  46  12.831  -8.109   6.503
  303   2HB   GLN  46          1HB       GLN  46  13.780  -8.997   7.670
  304   1HG   GLN  46          2HG       GLN  46  13.017  -6.044   7.907
  305   2HG   GLN  46          1HG       GLN  46  12.291  -7.360   8.807
  306   1HE2  GLN  46          1HE2      GLN  46  15.114  -5.306   8.529
  307   2HE2  GLN  46          2HE2      GLN  46  15.876  -5.831   9.952
  308    H    ASP  47           H        ASP  47  13.824  -7.906   4.328
  309    HA   ASP  47           HA       ASP  47  15.032 -10.379   3.600
  310   1HB   ASP  47          2HB       ASP  47  12.716  -9.895   2.917
  311   2HB   ASP  47          1HB       ASP  47  13.255  -8.490   2.011
  312    HA   PRO  48           HA       PRO  48  18.619  -8.395   1.745
  313   1HB   PRO  48          2HB       PRO  48  18.828 -10.808  -0.013
  314   2HB   PRO  48          1HB       PRO  48  19.978 -10.170   1.131
  315   1HG   PRO  48          2HG       PRO  48  18.582 -12.395   1.636
  316   2HG   PRO  48          1HG       PRO  48  19.057 -11.266   2.917
  317   1HD   PRO  48          2HD       PRO  48  16.388 -11.654   1.626
  318   2HD   PRO  48          1HD       PRO  48  16.816 -11.289   3.311
  319    H    ASP  49           H        ASP  49  17.604  -6.748   0.699
  320    HA   ASP  49           HA       ASP  49  17.202  -7.070  -2.214
  321   1HB   ASP  49          2HB       ASP  49  14.959  -7.296  -1.212
  322   2HB   ASP  49          1HB       ASP  49  15.217  -5.838  -0.277
  323    H    THR  50           H        THR  50  17.005  -4.706   0.394
  324    HA   THR  50           HA       THR  50  18.080  -2.563  -1.287
  325    HB   THR  50           HB       THR  50  17.419  -2.601   1.740
  326    HG1  THR  50           1HG      THR  50  15.757  -3.149   0.170
  327   1HG2  THR  50          1HG2      THR  50  17.165  -0.150   1.381
  328   2HG2  THR  50          2HG2      THR  50  17.501  -0.321  -0.331
  329   3HG2  THR  50          3HG2      THR  50  18.783  -0.566   0.842
  330    H    CYS  51           H        CYS  51  19.379  -2.633   1.955
  331    HA   CYS  51           HA       CYS  51  22.099  -2.812   0.862
  332   1HB   CYS  51          2HB       CYS  51  21.062  -2.430   3.646
  333   2HB   CYS  51          1HB       CYS  51  22.723  -2.375   3.202
  334    H    SER  52           H        SER  52  23.638  -4.007   2.631
  335    HA   SER  52           HA       SER  52  22.724  -6.836   2.624
  336   1HB   SER  52          2HB       SER  52  24.937  -6.295   1.547
  337   2HB   SER  52          1HB       SER  52  25.514  -5.664   3.098
  338    HG   SER  52           HG       SER  52  25.229  -7.647   4.014
  339    H    GLN  53           H        GLN  53  23.022  -4.185   4.724
  340    HA   GLN  53           HA       GLN  53  22.863  -6.000   7.094
  341   1HB   GLN  53          2HB       GLN  53  24.372  -3.372   6.933
  342   2HB   GLN  53          1HB       GLN  53  24.179  -4.346   8.376
  343   1HG   GLN  53          2HG       GLN  53  25.668  -5.142   5.850
  344   2HG   GLN  53          1HG       GLN  53  26.332  -4.697   7.417
  345   1HE2  GLN  53          1HE2      GLN  53  24.941  -6.141   9.257
  346   2HE2  GLN  53          2HE2      GLN  53  25.077  -7.806   8.953
  347    H    LEU  54           H        LEU  54  22.938  -2.809   8.081
  348    HA   LEU  54           HA       LEU  54  20.315  -2.873   9.122
  349   1HB   LEU  54          2HB       LEU  54  22.165  -1.955  10.298
  350   2HB   LEU  54          1HB       LEU  54  22.578  -0.889   8.978
  351    HG   LEU  54           HG       LEU  54  19.885  -0.580  10.375
  352   1HD1  LEU  54          1HD1      LEU  54  21.745  -0.502  12.055
  353   2HD1  LEU  54          2HD1      LEU  54  21.013   1.081  11.803
  354   3HD1  LEU  54          3HD1      LEU  54  22.571   0.698  11.063
  355   1HD2  LEU  54          1HD2      LEU  54  20.444   0.694   8.178
  356   2HD2  LEU  54          2HD2      LEU  54  21.866   1.288   8.982
  357   3HD2  LEU  54          3HD2      LEU  54  20.263   1.752   9.549
  358    H    CYS  55           H        CYS  55  18.687  -1.582   8.817
  359    HA   CYS  55           HA       CYS  55  18.424   0.309   6.621
  360   1HB   CYS  55          2HB       CYS  55  18.406  -1.842   5.451
  361   2HB   CYS  55          1HB       CYS  55  17.172  -2.453   6.476
  362    H    VAL  56           H        VAL  56  15.786   0.594   6.349
  363    HA   VAL  56           HA       VAL  56  14.323   0.351   8.871
  364    HB   VAL  56           HB       VAL  56  15.687   2.331   9.387
  365   1HG1  VAL  56          1HG1      VAL  56  14.642   3.681   6.859
  366   2HG1  VAL  56          2HG1      VAL  56  16.292   3.148   7.156
  367   3HG1  VAL  56          3HG1      VAL  56  15.597   4.433   8.116
  368   1HG2  VAL  56          1HG2      VAL  56  12.827   3.134   8.734
  369   2HG2  VAL  56          2HG2      VAL  56  13.900   3.998   9.820
  370   3HG2  VAL  56          3HG2      VAL  56  13.385   2.367  10.211
  371    H    ASN  57           H        ASN  57  12.916  -0.755   7.735
  372    HA   ASN  57           HA       ASN  57  11.580   0.239   5.327
  373   1HB   ASN  57          2HB       ASN  57  12.236  -2.212   5.791
  374   2HB   ASN  57          1HB       ASN  57  10.918  -2.252   6.935
  375   1HD2  ASN  57          1HD2      ASN  57  11.802  -2.517   3.668
  376   2HD2  ASN  57          2HD2      ASN  57  10.245  -2.647   3.008
  377    H    LEU  58           H        LEU  58   9.281   0.116   5.159
  378    HA   LEU  58           HA       LEU  58   7.278   0.235   7.112
  379   1HB   LEU  58          2HB       LEU  58   6.792   2.636   7.364
  380   2HB   LEU  58          1HB       LEU  58   8.362   2.301   7.996
  381    HG   LEU  58           HG       LEU  58   8.030   3.429   5.194
  382   1HD1  LEU  58          1HD1      LEU  58   8.495   5.652   6.278
  383   2HD1  LEU  58          2HD1      LEU  58   8.512   4.896   7.863
  384   3HD1  LEU  58          3HD1      LEU  58   7.018   4.982   6.947
  385   1HD2  LEU  58          1HD2      LEU  58  10.285   3.405   7.227
  386   2HD2  LEU  58          2HD2      LEU  58  10.352   4.156   5.649
  387   3HD2  LEU  58          3HD2      LEU  58  10.203   2.422   5.773
  388    H    GLU  59           H        GLU  59   5.814   2.315   5.957
  389    HA   GLU  59           HA       GLU  59   4.919   0.977   3.503
  390   1HB   GLU  59          2HB       GLU  59   3.341   1.646   5.347
  391   2HB   GLU  59          1HB       GLU  59   3.736   3.321   5.079
  392   1HG   GLU  59          2HG       GLU  59   2.727   3.212   2.878
  393   2HG   GLU  59          1HG       GLU  59   2.383   1.490   3.026
  394    H    GLY  60           H        GLY  60   6.173   1.274   1.974
  395   1HA   GLY  60          2HA       GLY  60   7.036   2.129   0.065
  396   2HA   GLY  60          1HA       GLY  60   5.870   3.420   0.248
  397    H    GLY  61           H        GLY  61   7.236   3.816   2.972
  398   1HA   GLY  61          2HA       GLY  61   9.147   5.864   2.071
  399   2HA   GLY  61          1HA       GLY  61   8.566   5.615   3.716
  400    H    TYR  62           H        TYR  62   9.516   2.748   2.537
  401    HA   TYR  62           HA       TYR  62  11.597   2.236   4.324
  402   1HB   TYR  62          2HB       TYR  62  12.137   0.266   3.055
  403   2HB   TYR  62          1HB       TYR  62  10.424   0.530   2.771
  404    HD1  TYR  62           1HD      TYR  62  13.627   0.193   1.271
  405    HD2  TYR  62           2HD      TYR  62   9.783   1.906   0.602
  406    HE1  TYR  62           1HE      TYR  62  14.138   0.380  -1.099
  407    HE2  TYR  62           2HE      TYR  62  10.298   2.096  -1.782
  408    HH   TYR  62           HH       TYR  62  13.332   1.875  -3.042
  409    H    LYS  63           H        LYS  63  13.715   2.669   4.521
  410    HA   LYS  63           HA       LYS  63  15.331   3.434   2.231
  411   1HB   LYS  63          2HB       LYS  63  15.043   5.065   4.751
  412   2HB   LYS  63          1HB       LYS  63  16.246   5.241   3.538
  413   1HG   LYS  63          2HG       LYS  63  14.523   5.855   1.839
  414   2HG   LYS  63          1HG       LYS  63  13.262   5.607   3.020
  415   1HD   LYS  63          2HD       LYS  63  13.701   8.002   2.814
  416   2HD   LYS  63          1HD       LYS  63  14.171   7.458   4.410
  417   1HE   LYS  63          2HE       LYS  63  16.563   7.368   3.683
  418   2HE   LYS  63          1HE       LYS  63  16.086   7.892   2.071
  419   1HZ   LYS  63          1HZ       LYS  63  16.900   9.687   3.502
  420   2HZ   LYS  63          2HZ       LYS  63  15.589   9.432   4.549
  421   3HZ   LYS  63          3HZ       LYS  63  15.315   9.947   2.953
  422    H    CYS  64           H        CYS  64  17.492   3.312   2.780
  423    HA   CYS  64           HA       CYS  64  18.126   1.744   5.208
  424   1HB   CYS  64          2HB       CYS  64  17.987   0.462   3.252
  425   2HB   CYS  64          1HB       CYS  64  19.211   1.396   2.439
  426    H    GLN  65           H        GLN  65  20.232   1.588   5.791
  427    HA   GLN  65           HA       GLN  65  22.150   3.770   5.138
  428   1HB   GLN  65          2HB       GLN  65  21.487   3.085   8.040
  429   2HB   GLN  65          1HB       GLN  65  22.493   4.364   7.446
  430   1HG   GLN  65          2HG       GLN  65  20.615   5.571   6.456
  431   2HG   GLN  65          1HG       GLN  65  19.496   4.309   6.962
  432   1HE2  GLN  65          1HE2      GLN  65  19.382   3.899   9.377
  433   2HE2  GLN  65          2HE2      GLN  65  19.606   5.220  10.420
  434    H    CYS  66           H        CYS  66  24.053   3.073   6.972
  435    HA   CYS  66           HA       CYS  66  24.579   0.208   6.313
  436   1HB   CYS  66          2HB       CYS  66  26.542   2.453   6.766
  437   2HB   CYS  66          1HB       CYS  66  26.838   0.844   6.278
  438    H    GLU  67           H        GLU  67  26.050  -0.905   7.627
  439    HA   GLU  67           HA       GLU  67  25.275  -0.823  10.451
  440   1HB   GLU  67          2HB       GLU  67  25.523  -2.933   9.012
  441   2HB   GLU  67          1HB       GLU  67  27.239  -2.674   9.004
  442   1HG   GLU  67          2HG       GLU  67  25.570  -3.162  11.502
  443   2HG   GLU  67          1HG       GLU  67  26.565  -4.359  10.708
  444    H    GLU  68           H        GLU  68  26.180   1.207  10.874
  445    HA   GLU  68           HA       GLU  68  27.760   2.748  11.571
  446   1HB   GLU  68          2HB       GLU  68  28.967   0.169  12.645
  447   2HB   GLU  68          1HB       GLU  68  29.409   1.772  13.196
  448   1HG   GLU  68          2HG       GLU  68  27.050   2.178  13.907
  449   2HG   GLU  68          1HG       GLU  68  26.593   0.584  13.327
  450    H    GLY  69           H        GLY  69  30.115   0.202  11.097
  451   1HA   GLY  69          2HA       GLY  69  32.067   1.915   9.967
  452   2HA   GLY  69          1HA       GLY  69  32.201   0.175  10.120
  453    H    PHE  70           H        PHE  70  29.517   0.088   8.572
  454    HA   PHE  70           HA       PHE  70  30.723  -0.296   6.035
  455   1HB   PHE  70          2HB       PHE  70  27.916  -0.544   7.085
  456   2HB   PHE  70          1HB       PHE  70  28.282  -0.862   5.400
  457    HD1  PHE  70           1HD      PHE  70  30.594  -1.870   8.180
  458    HD2  PHE  70           2HD      PHE  70  27.542  -3.146   5.495
  459    HE1  PHE  70           1HE      PHE  70  31.060  -4.182   8.764
  460    HE2  PHE  70           2HE      PHE  70  28.034  -5.472   6.079
  461    HZ   PHE  70           HZ       PHE  70  29.788  -6.003   7.710
  462    H    GLN  71           H        GLN  71  29.959   0.671   4.063
  463    HA   GLN  71           HA       GLN  71  28.753   3.323   4.266
  464   1HB   GLN  71          2HB       GLN  71  31.418   2.508   3.185
  465   2HB   GLN  71          1HB       GLN  71  30.583   3.751   2.324
  466   1HG   GLN  71          2HG       GLN  71  31.188   3.823   5.331
  467   2HG   GLN  71          1HG       GLN  71  32.092   4.710   4.106
  468   1HE2  GLN  71          1HE2      GLN  71  30.726   6.124   6.143
  469   2HE2  GLN  71          2HE2      GLN  71  29.416   6.963   5.464
  470    H    LEU  72           H        LEU  72  28.490   4.225   2.099
  471    HA   LEU  72           HA       LEU  72  26.681   2.399   0.676
  472   1HB   LEU  72          2HB       LEU  72  26.113   4.797   1.036
  473   2HB   LEU  72          1HB       LEU  72  27.450   5.263   0.005
  474    HG   LEU  72           HG       LEU  72  26.397   3.894  -1.862
  475   1HD1  LEU  72          1HD1      LEU  72  24.028   3.717   0.038
  476   2HD1  LEU  72          2HD1      LEU  72  25.000   2.362  -0.509
  477   3HD1  LEU  72          3HD1      LEU  72  24.018   3.254  -1.653
  478   1HD2  LEU  72          1HD2      LEU  72  24.618   5.565  -2.351
  479   2HD2  LEU  72          2HD2      LEU  72  26.061   6.348  -1.723
  480   3HD2  LEU  72          3HD2      LEU  72  24.665   6.107  -0.679
  481    H    ASP  73           H        ASP  73  27.706   0.912  -0.445
  482    HA   ASP  73           HA       ASP  73  30.159   1.342  -1.936
  483   1HB   ASP  73          2HB       ASP  73  29.526  -0.875  -0.974
  484   2HB   ASP  73          1HB       ASP  73  28.181  -0.987  -2.097
  485    HA   PRO  74           HA       PRO  74  27.960   2.957  -5.505
  486   1HB   PRO  74          2HB       PRO  74  30.011   3.228  -7.222
  487   2HB   PRO  74          1HB       PRO  74  29.888   4.240  -5.803
  488   1HG   PRO  74          2HG       PRO  74  31.538   1.771  -6.170
  489   2HG   PRO  74          1HG       PRO  74  31.996   3.338  -5.481
  490   1HD   PRO  74          2HD       PRO  74  31.324   1.201  -3.955
  491   2HD   PRO  74          1HD       PRO  74  31.040   2.875  -3.443
  492    H    HIS  75           H        HIS  75  27.605   2.428  -7.740
  493    HA   HIS  75           HA       HIS  75  26.951   0.993  -9.453
  494   1HB   HIS  75          2HB       HIS  75  29.294  -0.716  -8.485
  495   2HB   HIS  75          1HB       HIS  75  28.487  -0.849 -10.039
  496    HD1  HIS  75           1HD      HIS  75  30.743   1.428  -8.185
  497    HD2  HIS  75           2HD      HIS  75  29.148   1.150 -11.934
  498    HE1  HIS  75           1HE      HIS  75  31.932   3.091  -9.572
  499    H    THR  76           H        THR  76  26.599   0.317  -6.374
  500    HA   THR  76           HA       THR  76  24.809  -2.016  -6.795
  501    HB   THR  76           HB       THR  76  25.625  -2.942  -4.558
  502    HG1  THR  76           1HG      THR  76  26.411  -1.135  -3.670
  503   1HG2  THR  76          1HG2      THR  76  27.979  -2.437  -6.494
  504   2HG2  THR  76          2HG2      THR  76  26.826  -3.739  -6.730
  505   3HG2  THR  76          3HG2      THR  76  27.874  -3.737  -5.321
  506    H    LYS  77           H        LYS  77  25.896   0.574  -4.854
  507    HA   LYS  77           HA       LYS  77  24.859   2.125  -3.448
  508   1HB   LYS  77          2HB       LYS  77  22.422   1.092  -4.710
  509   2HB   LYS  77          1HB       LYS  77  22.490   2.569  -3.783
  510   1HG   LYS  77          2HG       LYS  77  24.197   3.475  -5.388
  511   2HG   LYS  77          1HG       LYS  77  24.060   2.013  -6.347
  512   1HD   LYS  77          2HD       LYS  77  21.653   2.489  -6.754
  513   2HD   LYS  77          1HD       LYS  77  21.773   3.949  -5.787
  514   1HE   LYS  77          2HE       LYS  77  21.967   4.488  -8.201
  515   2HE   LYS  77          1HE       LYS  77  23.466   4.867  -7.369
  516   1HZ   LYS  77          1HZ       LYS  77  23.591   3.597  -9.547
  517   2HZ   LYS  77          2HZ       LYS  77  23.067   2.248  -8.658
  518   3HZ   LYS  77          3HZ       LYS  77  24.520   3.024  -8.245
  519    H    ALA  78           H        ALA  78  25.187  -0.816  -2.881
  520    HA   ALA  78           HA       ALA  78  23.247  -1.248  -0.664
  521   1HB   ALA  78          1HB       ALA  78  25.237  -3.127  -1.996
  522   2HB   ALA  78          2HB       ALA  78  23.514  -3.071  -2.339
  523   3HB   ALA  78          3HB       ALA  78  24.080  -3.591  -0.756
  524    H    CYS  79           H        CYS  79  23.992  -1.477   1.447
  525    HA   CYS  79           HA       CYS  79  26.585  -0.276   1.978
  526   1HB   CYS  79          2HB       CYS  79  24.491  -1.348   3.831
  527   2HB   CYS  79          1HB       CYS  79  25.996  -0.693   4.387
  528    H    LYS  80           H        LYS  80  28.321  -1.061   2.844
  529    HA   LYS  80           HA       LYS  80  28.558  -3.778   3.876
  530   1HB   LYS  80          2HB       LYS  80  30.266  -4.425   2.482
  531   2HB   LYS  80          1HB       LYS  80  28.775  -4.296   1.538
  532   1HG   LYS  80          2HG       LYS  80  29.583  -1.933   0.835
  533   2HG   LYS  80          1HG       LYS  80  31.126  -2.301   1.565
  534   1HD   LYS  80          2HD       LYS  80  31.321  -2.677  -0.808
  535   2HD   LYS  80          1HD       LYS  80  31.421  -4.215   0.017
  536   1HE   LYS  80          2HE       LYS  80  29.088  -4.743  -0.547
  537   2HE   LYS  80          1HE       LYS  80  28.857  -3.156  -1.264
  538   1HZ   LYS  80          1HZ       LYS  80  30.921  -5.055  -2.195
  539   2HZ   LYS  80          2HZ       LYS  80  30.345  -3.662  -2.979
  540   3HZ   LYS  80          3HZ       LYS  80  29.342  -5.024  -2.822
  541    H    ALA  81           H        ALA  81  30.852  -4.097   4.716
  542    HA   ALA  81           HA       ALA  81  31.896  -2.057   6.271
  543   1HB   ALA  81          1HB       ALA  81  33.480  -4.264   4.913
  544   2HB   ALA  81          2HB       ALA  81  32.625  -4.410   6.439
  545   3HB   ALA  81          3HB       ALA  81  34.016  -3.346   6.312
  546    H    VAL  82           H        VAL  82  32.764  -0.130   5.886
  547    HA   VAL  82           HA       VAL  82  33.277   0.977   3.415
  548    HB   VAL  82           HB       VAL  82  33.051   2.262   5.519
  549   1HG1  VAL  82          1HG1      VAL  82  35.880   1.290   6.156
  550   2HG1  VAL  82          2HG1      VAL  82  34.438   0.789   7.008
  551   3HG1  VAL  82          3HG1      VAL  82  34.967   2.458   7.093
  552   1HG2  VAL  82          1HG2      VAL  82  35.670   2.850   4.087
  553   2HG2  VAL  82          2HG2      VAL  82  34.784   3.978   5.096
  554   3HG2  VAL  82          3HG2      VAL  82  34.077   3.404   3.596
  Start of MODEL   23
    1    H    GLY   1           H        GLY   1 -25.442  -4.162  -1.272
    2   1HA   GLY   1          2HA       GLY   1 -25.530  -5.343   1.459
    3   2HA   GLY   1          1HA       GLY   1 -23.975  -4.926   0.740
    4    H    THR   2           H        THR   2 -25.481  -3.902   3.096
    5    HA   THR   2           HA       THR   2 -26.535  -1.366   2.879
    6    HB   THR   2           HB       THR   2 -24.715  -2.448   5.065
    7    HG1  THR   2           1HG      THR   2 -26.652  -3.613   4.450
    8   1HG2  THR   2          1HG2      THR   2 -26.815  -0.264   5.294
    9   2HG2  THR   2          2HG2      THR   2 -25.079   0.001   5.404
   10   3HG2  THR   2          3HG2      THR   2 -25.881  -0.968   6.612
   11    H    ASN   3           H        ASN   3 -25.570   0.696   3.568
   12    HA   ASN   3           HA       ASN   3 -23.008   1.169   2.151
   13   1HB   ASN   3          2HB       ASN   3 -25.097   2.473   1.542
   14   2HB   ASN   3          1HB       ASN   3 -25.100   3.154   3.157
   15   1HD2  ASN   3          1HD2      ASN   3 -24.934   5.100   1.412
   16   2HD2  ASN   3          2HD2      ASN   3 -23.355   5.676   1.173
   17    H    GLU   4           H        GLU   4 -22.503  -0.174   4.259
   18    HA   GLU   4           HA       GLU   4 -22.451   1.076   6.814
   19   1HB   GLU   4          2HB       GLU   4 -21.153  -0.778   7.485
   20   2HB   GLU   4          1HB       GLU   4 -22.136  -1.412   6.193
   21   1HG   GLU   4          2HG       GLU   4 -19.195  -0.631   6.032
   22   2HG   GLU   4          1HG       GLU   4 -19.872  -2.228   5.925
   23    H    CYS   5           H        CYS   5 -20.772   1.920   4.066
   24    HA   CYS   5           HA       CYS   5 -18.211   2.505   5.103
   25   1HB   CYS   5          2HB       CYS   5 -19.020   2.429   2.647
   26   2HB   CYS   5          1HB       CYS   5 -19.540   4.071   2.892
   27    H    LEU   6           H        LEU   6 -21.208   4.050   4.972
   28    HA   LEU   6           HA       LEU   6 -20.776   6.709   5.539
   29   1HB   LEU   6          2HB       LEU   6 -22.924   4.864   6.603
   30   2HB   LEU   6          1HB       LEU   6 -23.016   6.602   6.641
   31    HG   LEU   6           HG       LEU   6 -22.775   4.880   4.114
   32   1HD1  LEU   6          1HD1      LEU   6 -24.982   4.692   5.241
   33   2HD1  LEU   6          2HD1      LEU   6 -25.142   5.574   3.730
   34   3HD1  LEU   6          3HD1      LEU   6 -25.134   6.442   5.257
   35   1HD2  LEU   6          1HD2      LEU   6 -21.780   7.166   3.791
   36   2HD2  LEU   6          2HD2      LEU   6 -23.268   7.890   4.378
   37   3HD2  LEU   6          3HD2      LEU   6 -23.256   6.990   2.872
   38    H    ASP   7           H        ASP   7 -20.861   3.993   7.717
   39    HA   ASP   7           HA       ASP   7 -20.020   5.666  10.059
   40   1HB   ASP   7          2HB       ASP   7 -22.087   4.114  10.157
   41   2HB   ASP   7          1HB       ASP   7 -20.972   2.781   9.920
   42    H    ASN   8           H        ASN   8 -18.772   3.560  11.360
   43    HA   ASN   8           HA       ASN   8 -16.140   3.672  10.582
   44   1HB   ASN   8          2HB       ASN   8 -17.627   1.558  11.943
   45   2HB   ASN   8          1HB       ASN   8 -15.884   1.629  12.027
   46   1HD2  ASN   8          1HD2      ASN   8 -15.017   3.823  12.861
   47   2HD2  ASN   8          2HD2      ASN   8 -15.892   4.584  14.101
   48    H    ASN   9           H        ASN   9 -14.990   2.689   8.852
   49    HA   ASN   9           HA       ASN   9 -16.176   1.476   6.698
   50   1HB   ASN   9          2HB       ASN   9 -13.357   1.119   7.783
   51   2HB   ASN   9          1HB       ASN   9 -13.848   0.610   6.190
   52   1HD2  ASN   9          1HD2      ASN   9 -15.312   3.567   7.392
   53   2HD2  ASN   9          2HD2      ASN   9 -14.378   4.621   6.450
   54    H    GLY  10           H        GLY  10 -17.721  -0.018   7.432
   55   1HA   GLY  10          2HA       GLY  10 -18.500  -2.192   7.621
   56   2HA   GLY  10          1HA       GLY  10 -16.840  -2.723   7.405
   57    H    GLY  11           H        GLY  11 -16.427  -0.652   9.740
   58   1HA   GLY  11          2HA       GLY  11 -17.329  -0.868  12.146
   59   2HA   GLY  11          1HA       GLY  11 -16.769  -2.544  11.997
   60    H    CYS  12           H        CYS  12 -15.065  -0.116  10.205
   61    HA   CYS  12           HA       CYS  12 -12.964   0.226  12.213
   62   1HB   CYS  12          2HB       CYS  12 -12.665  -0.776   9.390
   63   2HB   CYS  12          1HB       CYS  12 -11.408  -0.455  10.515
   64    H    SER  13           H        SER  13 -11.382   1.209   9.807
   65    HA   SER  13           HA       SER  13 -12.825   3.400   8.654
   66   1HB   SER  13          2HB       SER  13 -11.588   5.225   9.876
   67   2HB   SER  13          1HB       SER  13 -12.555   4.258  10.997
   68    HG   SER  13           HG       SER  13  -9.795   3.936  10.398
   69    H    HIS  14           H        HIS  14 -11.264   1.228   7.935
   70    HA   HIS  14           HA       HIS  14  -8.798   2.361   6.737
   71   1HB   HIS  14          2HB       HIS  14  -9.745  -0.513   7.162
   72   2HB   HIS  14          1HB       HIS  14  -8.210  -0.033   6.481
   73    HD1  HIS  14           1HD      HIS  14  -9.001  -1.403   9.375
   74    HD2  HIS  14           2HD      HIS  14  -7.389   2.293   8.726
   75    HE1  HIS  14           1HE      HIS  14  -7.904  -0.743  11.483
   76    H    VAL  15           H        VAL  15 -10.784  -0.317   5.671
   77    HA   VAL  15           HA       VAL  15 -11.500   1.124   3.154
   78    HB   VAL  15           HB       VAL  15 -10.577  -1.768   3.418
   79   1HG1  VAL  15          1HG1      VAL  15 -10.815  -1.845   0.929
   80   2HG1  VAL  15          2HG1      VAL  15 -11.444  -0.206   0.937
   81   3HG1  VAL  15          3HG1      VAL  15 -12.353  -1.503   1.690
   82   1HG2  VAL  15          1HG2      VAL  15  -9.262   0.584   2.014
   83   2HG2  VAL  15          2HG2      VAL  15  -8.693  -1.077   1.986
   84   3HG2  VAL  15          3HG2      VAL  15  -8.688  -0.174   3.493
   85    H    CYS  16           H        CYS  16 -13.637   1.328   3.249
   86    HA   CYS  16           HA       CYS  16 -15.301  -0.545   4.757
   87   1HB   CYS  16          2HB       CYS  16 -17.071   0.949   4.132
   88   2HB   CYS  16          1HB       CYS  16 -15.726   1.943   4.585
   89    H    ASN  17           H        ASN  17 -14.687  -2.518   3.554
   90    HA   ASN  17           HA       ASN  17 -15.358  -2.514   0.665
   91   1HB   ASN  17          2HB       ASN  17 -13.292  -3.447   1.159
   92   2HB   ASN  17          1HB       ASN  17 -13.818  -4.335   2.538
   93   1HD2  ASN  17          1HD2      ASN  17 -13.890  -6.558   1.945
   94   2HD2  ASN  17          2HD2      ASN  17 -14.325  -7.156   0.420
   95    H    ASP  18           H        ASP  18 -17.307  -2.156   0.917
   96    HA   ASP  18           HA       ASP  18 -19.383  -3.196   2.405
   97   1HB   ASP  18          2HB       ASP  18 -19.425  -1.226   0.888
   98   2HB   ASP  18          1HB       ASP  18 -19.462  -2.291  -0.491
   99    H    LEU  19           H        LEU  19 -18.963  -5.432   2.662
  100    HA   LEU  19           HA       LEU  19 -19.150  -7.307   0.521
  101   1HB   LEU  19          2HB       LEU  19 -18.107  -7.475   2.953
  102   2HB   LEU  19          1HB       LEU  19 -19.753  -7.766   3.456
  103    HG   LEU  19           HG       LEU  19 -19.897  -9.756   1.974
  104   1HD1  LEU  19          1HD1      LEU  19 -17.753 -10.559   0.989
  105   2HD1  LEU  19          2HD1      LEU  19 -16.938  -9.124   1.608
  106   3HD1  LEU  19          3HD1      LEU  19 -18.140  -8.978   0.341
  107   1HD2  LEU  19          1HD2      LEU  19 -17.582  -9.705   3.949
  108   2HD2  LEU  19          2HD2      LEU  19 -18.451 -11.145   3.430
  109   3HD2  LEU  19          3HD2      LEU  19 -19.275  -9.907   4.351
  110    H    LYS  20           H        LYS  20 -20.978  -9.010   0.608
  111    HA   LYS  20           HA       LYS  20 -23.505  -7.608   0.343
  112   1HB   LYS  20          2HB       LYS  20 -24.375  -9.859  -0.257
  113   2HB   LYS  20          1HB       LYS  20 -22.884  -9.516  -1.109
  114   1HG   LYS  20          2HG       LYS  20 -21.623 -10.888   0.580
  115   2HG   LYS  20          1HG       LYS  20 -23.144 -11.289   1.363
  116   1HD   LYS  20          2HD       LYS  20 -23.989 -12.306  -0.730
  117   2HD   LYS  20          1HD       LYS  20 -22.470 -11.936  -1.527
  118   1HE   LYS  20          2HE       LYS  20 -22.787 -13.747   0.911
  119   2HE   LYS  20          1HE       LYS  20 -22.483 -14.281  -0.737
  120   1HZ   LYS  20          1HZ       LYS  20 -20.399 -14.259   0.140
  121   2HZ   LYS  20          2HZ       LYS  20 -20.689 -12.904   1.123
  122   3HZ   LYS  20          3HZ       LYS  20 -20.461 -12.707  -0.549
  123    H    ILE  21           H        ILE  21 -22.130  -9.979   2.588
  124    HA   ILE  21           HA       ILE  21 -23.848  -9.042   4.781
  125    HB   ILE  21           HB       ILE  21 -23.516 -11.941   3.886
  126   1HG1  ILE  21          2HG1      ILE  21 -26.031 -10.193   3.928
  127   2HG1  ILE  21          1HG1      ILE  21 -25.177 -10.703   2.487
  128   1HG2  ILE  21          1HG2      ILE  21 -25.016 -12.449   5.832
  129   2HG2  ILE  21          2HG2      ILE  21 -25.012 -10.738   6.250
  130   3HG2  ILE  21          3HG2      ILE  21 -23.529 -11.681   6.345
  131   1HD1  ILE  21          1HD1      ILE  21 -25.660 -13.071   2.987
  132   2HD1  ILE  21          2HD1      ILE  21 -27.135 -12.126   2.850
  133   3HD1  ILE  21          3HD1      ILE  21 -26.547 -12.602   4.429
  134    H    GLY  22           H        GLY  22 -22.338  -8.455   6.268
  135   1HA   GLY  22          2HA       GLY  22 -20.725  -8.899   7.912
  136   2HA   GLY  22          1HA       GLY  22 -20.202 -10.269   6.966
  137    H    TYR  23           H        TYR  23 -20.635  -6.942   6.245
  138    HA   TYR  23           HA       TYR  23 -18.798  -6.172   4.429
  139   1HB   TYR  23          2HB       TYR  23 -19.204  -4.508   6.902
  140   2HB   TYR  23          1HB       TYR  23 -18.896  -3.968   5.261
  141    HD1  TYR  23           1HD      TYR  23 -21.431  -5.132   7.552
  142    HD2  TYR  23           2HD      TYR  23 -20.675  -4.376   3.438
  143    HE1  TYR  23           1HE      TYR  23 -23.833  -5.238   7.095
  144    HE2  TYR  23           2HE      TYR  23 -23.081  -4.480   2.987
  145    HH   TYR  23           HH       TYR  23 -25.082  -5.337   3.886
  146    H    GLU  24           H        GLU  24 -16.779  -5.239   4.355
  147    HA   GLU  24           HA       GLU  24 -14.864  -6.306   6.333
  148   1HB   GLU  24          2HB       GLU  24 -14.665  -5.735   3.444
  149   2HB   GLU  24          1HB       GLU  24 -13.307  -6.268   4.382
  150   1HG   GLU  24          2HG       GLU  24 -15.931  -7.697   3.876
  151   2HG   GLU  24          1HG       GLU  24 -14.382  -8.106   3.156
  152    H    CYS  25           H        CYS  25 -12.929  -5.521   6.526
  153    HA   CYS  25           HA       CYS  25 -12.489  -2.667   6.549
  154   1HB   CYS  25          2HB       CYS  25 -11.760  -4.818   8.549
  155   2HB   CYS  25          1HB       CYS  25 -11.219  -3.180   8.647
  156    H    LEU  26           H        LEU  26 -11.500  -3.497   4.309
  157    HA   LEU  26           HA       LEU  26  -9.119  -5.131   4.522
  158   1HB   LEU  26          2HB       LEU  26  -9.715  -3.313   2.194
  159   2HB   LEU  26          1HB       LEU  26  -8.855  -4.803   2.253
  160    HG   LEU  26           HG       LEU  26 -11.824  -4.666   2.685
  161   1HD1  LEU  26          1HD1      LEU  26 -11.931  -5.839   0.472
  162   2HD1  LEU  26          2HD1      LEU  26 -10.199  -5.673   0.315
  163   3HD1  LEU  26          3HD1      LEU  26 -11.222  -4.245   0.331
  164   1HD2  LEU  26          1HD2      LEU  26 -11.765  -7.130   2.605
  165   2HD2  LEU  26          2HD2      LEU  26 -10.835  -6.524   3.959
  166   3HD2  LEU  26          3HD2      LEU  26 -10.010  -7.095   2.514
  167    H    CYS  27           H        CYS  27  -7.230  -4.123   3.191
  168    HA   CYS  27           HA       CYS  27  -6.139  -1.983   4.858
  169   1HB   CYS  27          2HB       CYS  27  -4.878  -3.844   2.858
  170   2HB   CYS  27          1HB       CYS  27  -4.010  -2.712   3.864
  171    HA   PRO  28           HA       PRO  28  -6.631   1.066   1.638
  172   1HB   PRO  28          2HB       PRO  28  -4.932   2.965   2.708
  173   2HB   PRO  28          1HB       PRO  28  -6.565   2.706   3.227
  174   1HG   PRO  28          2HG       PRO  28  -4.055   1.880   4.527
  175   2HG   PRO  28          1HG       PRO  28  -5.608   2.319   5.242
  176   1HD   PRO  28          2HD       PRO  28  -4.651  -0.254   4.962
  177   2HD   PRO  28          1HD       PRO  28  -6.349   0.189   5.205
  178    H    ASP  29           H        ASP  29  -3.374   1.066   2.912
  179    HA   ASP  29           HA       ASP  29  -2.149   1.453   0.306
  180   1HB   ASP  29          2HB       ASP  29  -0.056   1.489   1.645
  181   2HB   ASP  29          1HB       ASP  29  -1.266   2.546   2.323
  182    H    GLY  30           H        GLY  30  -0.001   0.118   0.115
  183   1HA   GLY  30          2HA       GLY  30  -0.556  -2.325  -1.021
  184   2HA   GLY  30          1HA       GLY  30   1.037  -1.811  -0.543
  185    H    PHE  31           H        PHE  31  -0.303  -1.971   2.401
  186    HA   PHE  31           HA       PHE  31   0.962  -4.420   3.067
  187   1HB   PHE  31          2HB       PHE  31  -1.075  -2.744   4.488
  188   2HB   PHE  31          1HB       PHE  31  -0.348  -4.129   5.236
  189    HD1  PHE  31           1HD      PHE  31   1.932  -2.427   2.951
  190    HD2  PHE  31           2HD      PHE  31   0.379  -2.427   6.927
  191    HE1  PHE  31           1HE      PHE  31   3.781  -1.028   3.651
  192    HE2  PHE  31           2HE      PHE  31   2.281  -1.005   7.629
  193    HZ   PHE  31           HZ       PHE  31   3.967  -0.332   5.986
  194    H    GLN  32           H        GLN  32  -0.056  -6.150   4.297
  195    HA   GLN  32           HA       GLN  32  -2.421  -7.184   2.787
  196   1HB   GLN  32          2HB       GLN  32  -0.111  -8.599   4.129
  197   2HB   GLN  32          1HB       GLN  32  -1.449  -9.402   3.377
  198   1HG   GLN  32          2HG       GLN  32   0.580  -7.535   2.032
  199   2HG   GLN  32          1HG       GLN  32   0.518  -9.280   1.861
  200   1HE2  GLN  32          1HE2      GLN  32  -0.782  -6.290   0.677
  201   2HE2  GLN  32          2HE2      GLN  32  -1.876  -6.968  -0.428
  202    H    LEU  33           H        LEU  33  -4.253  -7.531   3.832
  203    HA   LEU  33           HA       LEU  33  -4.502  -6.967   6.656
  204   1HB   LEU  33          2HB       LEU  33  -6.336  -6.703   4.815
  205   2HB   LEU  33          1HB       LEU  33  -6.556  -8.431   4.921
  206    HG   LEU  33           HG       LEU  33  -6.950  -8.117   7.445
  207   1HD1  LEU  33          1HD1      LEU  33  -7.140  -5.190   6.614
  208   2HD1  LEU  33          2HD1      LEU  33  -5.913  -5.852   7.676
  209   3HD1  LEU  33          3HD1      LEU  33  -7.590  -5.828   8.177
  210   1HD2  LEU  33          1HD2      LEU  33  -8.845  -8.466   5.913
  211   2HD2  LEU  33          2HD2      LEU  33  -8.902  -6.747   5.577
  212   3HD2  LEU  33          3HD2      LEU  33  -9.277  -7.326   7.179
  213    H    VAL  34           H        VAL  34  -3.679  -8.314   8.100
  214    HA   VAL  34           HA       VAL  34  -3.344 -11.174   7.646
  215    HB   VAL  34           HB       VAL  34  -2.770  -9.439  10.105
  216   1HG1  VAL  34          1HG1      VAL  34  -2.996 -11.872  10.708
  217   2HG1  VAL  34          2HG1      VAL  34  -1.337 -11.333  10.845
  218   3HG1  VAL  34          3HG1      VAL  34  -1.840 -12.276   9.452
  219   1HG2  VAL  34          1HG2      VAL  34  -0.945 -10.504   7.938
  220   2HG2  VAL  34          2HG2      VAL  34  -0.427  -9.569   9.332
  221   3HG2  VAL  34          3HG2      VAL  34  -1.432  -8.822   8.103
  222    H    ALA  35           H        ALA  35  -4.481  -9.955  10.736
  223    HA   ALA  35           HA       ALA  35  -6.378 -12.064  10.955
  224   1HB   ALA  35          1HB       ALA  35  -6.698 -11.123  13.266
  225   2HB   ALA  35          2HB       ALA  35  -5.681  -9.764  12.814
  226   3HB   ALA  35          3HB       ALA  35  -5.010 -11.386  12.867
  227    H    GLN  36           H        GLN  36  -7.183 -10.518   8.875
  228    HA   GLN  36           HA       GLN  36  -8.973  -9.404   7.937
  229   1HB   GLN  36          2HB       GLN  36 -10.389 -10.478  10.415
  230   2HB   GLN  36          1HB       GLN  36 -11.190  -9.884   8.975
  231   1HG   GLN  36          2HG       GLN  36 -10.099 -11.649   7.608
  232   2HG   GLN  36          1HG       GLN  36  -9.273 -12.256   9.039
  233   1HE2  GLN  36          1HE2      GLN  36 -12.448 -11.932   7.496
  234   2HE2  GLN  36          2HE2      GLN  36 -13.239 -13.052   8.498
  235    H    ARG  37           H        ARG  37  -7.370  -7.989  10.184
  236    HA   ARG  37           HA       ARG  37  -9.090  -5.578  10.271
  237   1HB   ARG  37          2HB       ARG  37  -7.842  -6.860  12.708
  238   2HB   ARG  37          1HB       ARG  37  -8.610  -5.287  12.708
  239   1HG   ARG  37          2HG       ARG  37  -9.975  -7.958  12.104
  240   2HG   ARG  37          1HG       ARG  37 -10.008  -7.150  13.649
  241   1HD   ARG  37          2HD       ARG  37 -11.068  -5.891  11.103
  242   2HD   ARG  37          1HD       ARG  37 -12.043  -6.761  12.296
  243    HE   ARG  37           HE       ARG  37 -10.383  -4.549  13.331
  244   1HH1  ARG  37          2HH1      ARG  37 -13.499  -5.604  12.206
  245   2HH1  ARG  37          1HH1      ARG  37 -14.334  -4.300  12.977
  246   1HH2  ARG  37          1HH2      ARG  37 -11.438  -2.896  14.308
  247   2HH2  ARG  37          2HH2      ARG  37 -13.159  -2.749  14.176
  248    H    ARG  38           H        ARG  38  -5.993  -6.864  11.419
  249    HA   ARG  38           HA       ARG  38  -4.676  -4.274  11.046
  250   1HB   ARG  38          2HB       ARG  38  -2.782  -5.409  12.130
  251   2HB   ARG  38          1HB       ARG  38  -4.235  -5.438  13.100
  252   1HG   ARG  38          2HG       ARG  38  -4.666  -7.790  12.414
  253   2HG   ARG  38          1HG       ARG  38  -3.256  -7.772  11.372
  254   1HD   ARG  38          2HD       ARG  38  -3.170  -7.370  14.388
  255   2HD   ARG  38          1HD       ARG  38  -2.745  -8.857  13.540
  256    HE   ARG  38           HE       ARG  38  -1.258  -6.690  12.421
  257   1HH1  ARG  38          2HH1      ARG  38  -1.490  -8.615  15.293
  258   2HH1  ARG  38          1HH1      ARG  38   0.185  -8.424  15.689
  259   1HH2  ARG  38          1HH2      ARG  38   0.858  -6.433  12.902
  260   2HH2  ARG  38          2HH2      ARG  38   1.535  -7.170  14.317
  261    H    CYS  39           H        CYS  39  -3.331  -3.744   9.523
  262    HA   CYS  39           HA       CYS  39  -2.740  -5.632   7.324
  263   1HB   CYS  39          2HB       CYS  39  -2.423  -2.631   7.537
  264   2HB   CYS  39          1HB       CYS  39  -2.278  -3.589   6.077
  265    H    GLU  40           H        GLU  40  -0.679  -6.276   6.759
  266    HA   GLU  40           HA       GLU  40   1.532  -5.533   8.569
  267   1HB   GLU  40          2HB       GLU  40   2.514  -7.597   7.878
  268   2HB   GLU  40          1HB       GLU  40   0.869  -7.929   8.369
  269   1HG   GLU  40          2HG       GLU  40   0.214  -7.704   5.909
  270   2HG   GLU  40          1HG       GLU  40   1.903  -7.572   5.515
  271    H    ASP  41           H        ASP  41   3.429  -4.908   7.844
  272    HA   ASP  41           HA       ASP  41   3.593  -3.576   5.274
  273   1HB   ASP  41          2HB       ASP  41   4.561  -2.499   7.317
  274   2HB   ASP  41          1HB       ASP  41   5.610  -3.875   7.554
  275    H    ILE  42           H        ILE  42   5.370  -3.681   3.930
  276    HA   ILE  42           HA       ILE  42   6.304  -6.379   3.386
  277    HB   ILE  42           HB       ILE  42   6.054  -3.910   1.557
  278   1HG1  ILE  42          2HG1      ILE  42   4.314  -6.430   1.701
  279   2HG1  ILE  42          1HG1      ILE  42   3.841  -4.855   2.303
  280   1HG2  ILE  42          1HG2      ILE  42   7.856  -5.516   0.854
  281   2HG2  ILE  42          2HG2      ILE  42   6.541  -5.526  -0.299
  282   3HG2  ILE  42          3HG2      ILE  42   6.691  -6.827   0.870
  283   1HD1  ILE  42          1HD1      ILE  42   3.983  -3.905   0.025
  284   2HD1  ILE  42          2HD1      ILE  42   2.859  -5.253   0.083
  285   3HD1  ILE  42          3HD1      ILE  42   4.448  -5.473  -0.618
  286    H    ASP  43           H        ASP  43   7.775  -5.909   5.184
  287    HA   ASP  43           HA       ASP  43   9.673  -3.729   5.002
  288   1HB   ASP  43          2HB       ASP  43   9.031  -4.801   7.169
  289   2HB   ASP  43          1HB       ASP  43   9.870  -6.261   6.680
  290    H    GLU  44           H        GLU  44  10.850  -3.677   3.379
  291    HA   GLU  44           HA       GLU  44  12.168  -5.936   2.107
  292   1HB   GLU  44          2HB       GLU  44  12.964  -4.195   0.491
  293   2HB   GLU  44          1HB       GLU  44  11.229  -4.183   0.699
  294   1HG   GLU  44          2HG       GLU  44  13.152  -2.274   2.087
  295   2HG   GLU  44          1HG       GLU  44  12.269  -1.909   0.624
  296    H    CYS  45           H        CYS  45  13.065  -3.687   4.650
  297    HA   CYS  45           HA       CYS  45  15.802  -3.494   4.097
  298   1HB   CYS  45          2HB       CYS  45  14.305  -3.469   6.717
  299   2HB   CYS  45          1HB       CYS  45  15.994  -3.210   6.602
  300    H    GLN  46           H        GLN  46  14.144  -5.519   6.349
  301    HA   GLN  46           HA       GLN  46  16.010  -7.179   7.405
  302   1HB   GLN  46          2HB       GLN  46  13.249  -7.920   6.388
  303   2HB   GLN  46          1HB       GLN  46  14.177  -8.898   7.491
  304   1HG   GLN  46          2HG       GLN  46  13.292  -6.023   8.004
  305   2HG   GLN  46          1HG       GLN  46  12.516  -7.435   8.698
  306   1HE2  GLN  46          1HE2      GLN  46  14.986  -5.124   9.151
  307   2HE2  GLN  46          2HE2      GLN  46  15.782  -5.876  10.449
  308    H    ASP  47           H        ASP  47  14.600  -7.576   4.232
  309    HA   ASP  47           HA       ASP  47  15.974 -10.007   3.675
  310   1HB   ASP  47          2HB       ASP  47  13.789  -9.513   2.625
  311   2HB   ASP  47          1HB       ASP  47  14.471  -8.105   1.829
  312    HA   PRO  48           HA       PRO  48  19.738  -7.949   2.381
  313   1HB   PRO  48          2HB       PRO  48  21.015 -10.033   1.184
  314   2HB   PRO  48          1HB       PRO  48  20.784  -9.972   2.915
  315   1HG   PRO  48          2HG       PRO  48  19.135 -11.427   0.880
  316   2HG   PRO  48          1HG       PRO  48  19.772 -12.014   2.428
  317   1HD   PRO  48          2HD       PRO  48  17.230 -11.188   2.147
  318   2HD   PRO  48          1HD       PRO  48  18.135 -10.959   3.654
  319    H    ASP  49           H        ASP  49  18.491  -6.615   1.009
  320    HA   ASP  49           HA       ASP  49  19.114  -6.975  -1.853
  321   1HB   ASP  49          2HB       ASP  49  16.818  -7.841  -1.583
  322   2HB   ASP  49          1HB       ASP  49  16.362  -6.388  -0.709
  323    H    THR  50           H        THR  50  18.080  -4.998   0.833
  324    HA   THR  50           HA       THR  50  18.348  -2.469  -0.532
  325    HB   THR  50           HB       THR  50  17.891  -1.611   1.852
  326    HG1  THR  50           1HG      THR  50  17.861  -4.403   2.353
  327   1HG2  THR  50          1HG2      THR  50  15.646  -2.675   2.060
  328   2HG2  THR  50          2HG2      THR  50  16.147  -4.006   1.029
  329   3HG2  THR  50          3HG2      THR  50  15.954  -2.401   0.355
  330    H    CYS  51           H        CYS  51  19.905  -2.526   2.568
  331    HA   CYS  51           HA       CYS  51  22.421  -1.630   1.335
  332   1HB   CYS  51          2HB       CYS  51  21.775  -2.003   4.219
  333   2HB   CYS  51          1HB       CYS  51  23.036  -1.049   3.522
  334    H    SER  52           H        SER  52  24.412  -2.346   2.798
  335    HA   SER  52           HA       SER  52  24.734  -5.199   2.380
  336   1HB   SER  52          2HB       SER  52  26.515  -3.058   3.658
  337   2HB   SER  52          1HB       SER  52  27.052  -4.687   3.218
  338    HG   SER  52           HG       SER  52  26.140  -2.594   1.578
  339    H    GLN  53           H        GLN  53  24.208  -2.963   5.021
  340    HA   GLN  53           HA       GLN  53  23.591  -5.208   6.879
  341   1HB   GLN  53          2HB       GLN  53  25.357  -2.799   7.449
  342   2HB   GLN  53          1HB       GLN  53  24.713  -3.820   8.721
  343   1HG   GLN  53          2HG       GLN  53  26.455  -4.820   6.422
  344   2HG   GLN  53          1HG       GLN  53  27.040  -4.483   8.041
  345   1HE2  GLN  53          1HE2      GLN  53  26.019  -6.981   6.099
  346   2HE2  GLN  53          2HE2      GLN  53  25.523  -8.071   7.301
  347    H    LEU  54           H        LEU  54  23.539  -1.988   8.286
  348    HA   LEU  54           HA       LEU  54  20.820  -2.258   8.940
  349   1HB   LEU  54          2HB       LEU  54  22.543   0.214   8.851
  350   2HB   LEU  54          1HB       LEU  54  20.945   0.183   9.526
  351    HG   LEU  54           HG       LEU  54  23.390  -1.255  10.577
  352   1HD1  LEU  54          1HD1      LEU  54  23.077   1.201  11.043
  353   2HD1  LEU  54          2HD1      LEU  54  22.875   0.249  12.511
  354   3HD1  LEU  54          3HD1      LEU  54  21.469   0.857  11.645
  355   1HD2  LEU  54          1HD2      LEU  54  21.356  -2.714  10.830
  356   2HD2  LEU  54          2HD2      LEU  54  20.512  -1.363  11.577
  357   3HD2  LEU  54          3HD2      LEU  54  21.910  -2.085  12.370
  358    H    CYS  55           H        CYS  55  19.265  -0.676   8.742
  359    HA   CYS  55           HA       CYS  55  18.887   0.780   6.228
  360   1HB   CYS  55          2HB       CYS  55  18.510  -1.611   5.589
  361   2HB   CYS  55          1HB       CYS  55  17.338  -1.751   6.834
  362    H    VAL  56           H        VAL  56  16.356   1.384   6.176
  363    HA   VAL  56           HA       VAL  56  15.351   1.933   8.931
  364    HB   VAL  56           HB       VAL  56  15.587   4.018   6.719
  365   1HG1  VAL  56          1HG1      VAL  56  13.599   4.365   8.167
  366   2HG1  VAL  56          2HG1      VAL  56  14.791   5.619   8.453
  367   3HG1  VAL  56          3HG1      VAL  56  14.617   4.295   9.595
  368   1HG2  VAL  56          1HG2      VAL  56  17.125   3.808   9.339
  369   2HG2  VAL  56          2HG2      VAL  56  17.242   5.145   8.205
  370   3HG2  VAL  56          3HG2      VAL  56  17.794   3.548   7.736
  371    H    ASN  57           H        ASN  57  13.769   0.483   8.627
  372    HA   ASN  57           HA       ASN  57  12.040   0.524   6.276
  373   1HB   ASN  57          2HB       ASN  57  12.662  -1.624   7.332
  374   2HB   ASN  57          1HB       ASN  57  11.893  -1.112   8.817
  375   1HD2  ASN  57          1HD2      ASN  57  10.001  -2.279   9.031
  376   2HD2  ASN  57          2HD2      ASN  57   8.870  -2.518   7.791
  377    H    LEU  58           H        LEU  58   9.882   0.563   6.401
  378    HA   LEU  58           HA       LEU  58   8.081   1.532   8.390
  379   1HB   LEU  58          2HB       LEU  58   7.597   3.826   7.582
  380   2HB   LEU  58          1HB       LEU  58   9.236   3.744   8.129
  381    HG   LEU  58           HG       LEU  58   8.732   3.308   5.169
  382   1HD1  LEU  58          1HD1      LEU  58   7.514   5.433   5.808
  383   2HD1  LEU  58          2HD1      LEU  58   8.936   5.761   4.834
  384   3HD1  LEU  58          3HD1      LEU  58   8.982   6.030   6.570
  385   1HD2  LEU  58          1HD2      LEU  58  10.962   4.405   5.095
  386   2HD2  LEU  58          2HD2      LEU  58  11.035   3.093   6.256
  387   3HD2  LEU  58          3HD2      LEU  58  10.878   4.735   6.818
  388    H    GLU  59           H        GLU  59   6.511   2.954   6.529
  389    HA   GLU  59           HA       GLU  59   5.277   0.691   5.192
  390   1HB   GLU  59          2HB       GLU  59   3.885   2.601   6.129
  391   2HB   GLU  59          1HB       GLU  59   4.598   3.682   4.946
  392   1HG   GLU  59          2HG       GLU  59   3.584   2.339   3.086
  393   2HG   GLU  59          1HG       GLU  59   2.925   1.210   4.247
  394    H    GLY  60           H        GLY  60   6.658  -0.134   3.933
  395   1HA   GLY  60          2HA       GLY  60   7.594  -0.663   1.936
  396   2HA   GLY  60          1HA       GLY  60   6.680   0.689   1.272
  397    H    GLY  61           H        GLY  61   8.102   2.187   3.534
  398   1HA   GLY  61          2HA       GLY  61  10.156   3.263   1.770
  399   2HA   GLY  61          1HA       GLY  61   9.687   3.896   3.340
  400    H    TYR  62           H        TYR  62  11.992   2.769   1.832
  401    HA   TYR  62           HA       TYR  62  13.380   1.512   4.196
  402   1HB   TYR  62          2HB       TYR  62  14.447  -0.188   2.853
  403   2HB   TYR  62          1HB       TYR  62  12.726  -0.202   2.564
  404    HD1  TYR  62           1HD      TYR  62  11.871   1.148   0.431
  405    HD2  TYR  62           2HD      TYR  62  15.882  -0.150   1.033
  406    HE1  TYR  62           1HE      TYR  62  12.305   1.348  -1.964
  407    HE2  TYR  62           2HE      TYR  62  16.318   0.045  -1.353
  408    HH   TYR  62           HH       TYR  62  15.472   1.154  -3.296
  409    H    LYS  63           H        LYS  63  14.560   3.455   4.702
  410    HA   LYS  63           HA       LYS  63  16.247   4.600   2.554
  411   1HB   LYS  63          2HB       LYS  63  16.378   5.316   5.482
  412   2HB   LYS  63          1HB       LYS  63  16.848   6.205   4.089
  413   1HG   LYS  63          2HG       LYS  63  14.601   6.577   3.297
  414   2HG   LYS  63          1HG       LYS  63  13.947   5.559   4.561
  415   1HD   LYS  63          2HD       LYS  63  13.648   7.928   5.156
  416   2HD   LYS  63          1HD       LYS  63  14.749   7.167   6.284
  417   1HE   LYS  63          2HE       LYS  63  16.693   8.138   5.048
  418   2HE   LYS  63          1HE       LYS  63  15.586   8.884   3.901
  419   1HZ   LYS  63          1HZ       LYS  63  15.004  10.457   5.358
  420   2HZ   LYS  63          2HZ       LYS  63  16.502  10.083   6.068
  421   3HZ   LYS  63          3HZ       LYS  63  15.072   9.421   6.701
  422    H    CYS  64           H        CYS  64  18.464   4.409   2.673
  423    HA   CYS  64           HA       CYS  64  19.374   1.980   4.068
  424   1HB   CYS  64          2HB       CYS  64  19.882   2.243   1.731
  425   2HB   CYS  64          1HB       CYS  64  20.853   3.666   2.074
  426    H    GLN  65           H        GLN  65  21.169   1.685   5.005
  427    HA   GLN  65           HA       GLN  65  22.979   3.628   6.222
  428   1HB   GLN  65          2HB       GLN  65  21.331   1.862   8.078
  429   2HB   GLN  65          1HB       GLN  65  22.511   3.050   8.544
  430   1HG   GLN  65          2HG       GLN  65  21.096   4.899   7.750
  431   2HG   GLN  65          1HG       GLN  65  19.857   3.747   7.262
  432   1HE2  GLN  65          1HE2      GLN  65  19.525   2.012   9.257
  433   2HE2  GLN  65          2HE2      GLN  65  19.200   2.777  10.737
  434    H    CYS  66           H        CYS  66  24.105   2.002   8.102
  435    HA   CYS  66           HA       CYS  66  24.491  -0.688   7.195
  436   1HB   CYS  66          2HB       CYS  66  26.410   1.517   6.686
  437   2HB   CYS  66          1HB       CYS  66  27.004  -0.055   7.028
  438    H    GLU  67           H        GLU  67  26.680  -1.432   8.291
  439    HA   GLU  67           HA       GLU  67  26.171  -1.365  11.149
  440   1HB   GLU  67          2HB       GLU  67  26.754  -3.372   9.762
  441   2HB   GLU  67          1HB       GLU  67  28.348  -2.714   9.523
  442   1HG   GLU  67          2HG       GLU  67  28.781  -2.847  12.000
  443   2HG   GLU  67          1HG       GLU  67  27.177  -3.526  12.210
  444    H    GLU  68           H        GLU  68  26.764   1.154  10.631
  445    HA   GLU  68           HA       GLU  68  28.024   2.963  11.224
  446   1HB   GLU  68          2HB       GLU  68  29.356   0.881  12.989
  447   2HB   GLU  68          1HB       GLU  68  29.637   2.594  13.135
  448   1HG   GLU  68          2HG       GLU  68  27.166   2.923  13.541
  449   2HG   GLU  68          1HG       GLU  68  26.913   1.195  13.358
  450    H    GLY  69           H        GLY  69  30.592   0.631  11.450
  451   1HA   GLY  69          2HA       GLY  69  32.734   2.120  10.581
  452   2HA   GLY  69          1HA       GLY  69  32.657   0.369  10.484
  453    H    PHE  70           H        PHE  70  30.188   0.881   8.643
  454    HA   PHE  70           HA       PHE  70  31.678   0.591   6.260
  455   1HB   PHE  70          2HB       PHE  70  28.769   1.065   6.794
  456   2HB   PHE  70          1HB       PHE  70  29.380   0.747   5.185
  457    HD1  PHE  70           1HD      PHE  70  30.892  -1.106   8.042
  458    HD2  PHE  70           2HD      PHE  70  27.934  -1.240   4.977
  459    HE1  PHE  70           1HE      PHE  70  30.669  -3.496   8.372
  460    HE2  PHE  70           2HE      PHE  70  27.726  -3.638   5.318
  461    HZ   PHE  70           HZ       PHE  70  29.087  -4.786   7.008
  462    H    GLN  71           H        GLN  71  31.619   1.949   4.415
  463    HA   GLN  71           HA       GLN  71  31.212   4.830   4.939
  464   1HB   GLN  71          2HB       GLN  71  33.536   3.311   3.817
  465   2HB   GLN  71          1HB       GLN  71  33.216   4.861   3.113
  466   1HG   GLN  71          2HG       GLN  71  33.546   4.378   6.114
  467   2HG   GLN  71          1HG       GLN  71  34.814   5.006   5.062
  468   1HE2  GLN  71          1HE2      GLN  71  33.925   6.612   7.170
  469   2HE2  GLN  71          2HE2      GLN  71  33.032   7.922   6.565
  470    H    LEU  72           H        LEU  72  31.517   6.035   2.814
  471    HA   LEU  72           HA       LEU  72  29.225   5.178   1.185
  472   1HB   LEU  72          2HB       LEU  72  29.612   7.589   1.700
  473   2HB   LEU  72          1HB       LEU  72  31.101   7.542   0.778
  474    HG   LEU  72           HG       LEU  72  29.753   6.795  -1.245
  475   1HD1  LEU  72          1HD1      LEU  72  27.298   7.094  -1.230
  476   2HD1  LEU  72          2HD1      LEU  72  27.340   7.434   0.491
  477   3HD1  LEU  72          3HD1      LEU  72  27.772   5.842  -0.106
  478   1HD2  LEU  72          1HD2      LEU  72  28.785   9.045  -1.692
  479   2HD2  LEU  72          2HD2      LEU  72  30.362   9.178  -0.929
  480   3HD2  LEU  72          3HD2      LEU  72  28.903   9.435   0.019
  481    H    ASP  73           H        ASP  73  29.670   3.485   0.045
  482    HA   ASP  73           HA       ASP  73  32.138   2.893  -1.321
  483   1HB   ASP  73          2HB       ASP  73  30.564   1.135  -0.538
  484   2HB   ASP  73          1HB       ASP  73  29.339   1.716  -1.641
  485    HA   PRO  74           HA       PRO  74  30.994   5.632  -4.742
  486   1HB   PRO  74          2HB       PRO  74  33.265   5.483  -6.169
  487   2HB   PRO  74          1HB       PRO  74  33.222   6.330  -4.640
  488   1HG   PRO  74          2HG       PRO  74  34.155   3.538  -5.180
  489   2HG   PRO  74          1HG       PRO  74  34.929   4.830  -4.244
  490   1HD   PRO  74          2HD       PRO  74  33.507   2.844  -3.076
  491   2HD   PRO  74          1HD       PRO  74  33.602   4.478  -2.396
  492    H    HIS  75           H        HIS  75  30.754   5.466  -7.010
  493    HA   HIS  75           HA       HIS  75  29.919   4.467  -8.944
  494   1HB   HIS  75          2HB       HIS  75  31.845   2.247  -8.132
  495   2HB   HIS  75          1HB       HIS  75  31.116   2.433  -9.722
  496    HD1  HIS  75           1HD      HIS  75  33.720   3.930  -7.582
  497    HD2  HIS  75           2HD      HIS  75  32.097   4.642 -11.260
  498    HE1  HIS  75           1HE      HIS  75  35.207   5.554  -8.697
  499    H    THR  76           H        THR  76  29.132   3.492  -6.087
  500    HA   THR  76           HA       THR  76  27.023   1.572  -6.941
  501    HB   THR  76           HB       THR  76  27.390   0.360  -4.728
  502    HG1  THR  76           1HG      THR  76  29.802   1.793  -4.626
  503   1HG2  THR  76          1HG2      THR  76  30.012   0.563  -6.347
  504   2HG2  THR  76          2HG2      THR  76  28.691  -0.496  -6.807
  505   3HG2  THR  76          3HG2      THR  76  29.554  -0.767  -5.301
  506    H    LYS  77           H        LYS  77  28.275   3.812  -4.723
  507    HA   LYS  77           HA       LYS  77  27.396   5.540  -3.434
  508   1HB   LYS  77          2HB       LYS  77  24.889   4.827  -4.751
  509   2HB   LYS  77          1HB       LYS  77  25.104   6.259  -3.782
  510   1HG   LYS  77          2HG       LYS  77  26.968   6.974  -5.345
  511   2HG   LYS  77          1HG       LYS  77  26.662   5.565  -6.335
  512   1HD   LYS  77          2HD       LYS  77  25.592   7.514  -7.343
  513   2HD   LYS  77          1HD       LYS  77  24.362   6.388  -6.809
  514   1HE   LYS  77          2HE       LYS  77  23.986   7.767  -4.757
  515   2HE   LYS  77          1HE       LYS  77  25.251   8.876  -5.278
  516   1HZ   LYS  77          1HZ       LYS  77  23.017   9.633  -5.831
  517   2HZ   LYS  77          2HZ       LYS  77  22.788   8.260  -6.805
  518   3HZ   LYS  77          3HZ       LYS  77  23.975   9.404  -7.216
  519    H    ALA  78           H        ALA  78  26.739   2.389  -3.043
  520    HA   ALA  78           HA       ALA  78  24.849   2.519  -0.771
  521   1HB   ALA  78          1HB       ALA  78  25.189   0.050  -0.758
  522   2HB   ALA  78          2HB       ALA  78  26.484   0.215  -1.933
  523   3HB   ALA  78          3HB       ALA  78  24.832   0.601  -2.386
  524    H    CYS  79           H        CYS  79  26.107   0.654   0.916
  525    HA   CYS  79           HA       CYS  79  28.712   1.843   1.612
  526   1HB   CYS  79          2HB       CYS  79  27.955   1.940   4.043
  527   2HB   CYS  79          1HB       CYS  79  27.324   3.189   3.018
  528    H    LYS  80           H        LYS  80  30.091   0.653   2.585
  529    HA   LYS  80           HA       LYS  80  29.408  -2.028   3.616
  530   1HB   LYS  80          2HB       LYS  80  31.051  -3.080   2.355
  531   2HB   LYS  80          1HB       LYS  80  29.803  -2.459   1.277
  532   1HG   LYS  80          2HG       LYS  80  31.322  -0.394   0.894
  533   2HG   LYS  80          1HG       LYS  80  32.591  -1.266   1.731
  534   1HD   LYS  80          2HD       LYS  80  32.474  -3.087   0.058
  535   2HD   LYS  80          1HD       LYS  80  31.197  -2.232  -0.791
  536   1HE   LYS  80          2HE       LYS  80  32.794  -0.273  -1.086
  537   2HE   LYS  80          1HE       LYS  80  34.049  -1.251  -0.348
  538   1HZ   LYS  80          1HZ       LYS  80  32.714  -1.614  -2.929
  539   2HZ   LYS  80          2HZ       LYS  80  33.409  -2.950  -2.141
  540   3HZ   LYS  80          3HZ       LYS  80  34.374  -1.615  -2.562
  541    H    ALA  81           H        ALA  81  31.269  -2.928   4.798
  542    HA   ALA  81           HA       ALA  81  32.537  -1.387   6.664
  543   1HB   ALA  81          1HB       ALA  81  32.599  -3.844   6.671
  544   2HB   ALA  81          2HB       ALA  81  34.218  -3.196   6.877
  545   3HB   ALA  81          3HB       ALA  81  33.719  -3.836   5.319
  546    H    VAL  82           H        VAL  82  33.760   0.331   6.568
  547    HA   VAL  82           HA       VAL  82  35.079   1.455   4.449
  548    HB   VAL  82           HB       VAL  82  34.768   2.587   6.614
  549   1HG1  VAL  82          1HG1      VAL  82  35.308   0.657   8.123
  550   2HG1  VAL  82          2HG1      VAL  82  36.242   2.076   8.555
  551   3HG1  VAL  82          3HG1      VAL  82  36.992   0.766   7.662
  552   1HG2  VAL  82          1HG2      VAL  82  36.952   3.737   6.801
  553   2HG2  VAL  82          2HG2      VAL  82  36.506   3.510   5.119
  554   3HG2  VAL  82          3HG2      VAL  82  37.717   2.475   5.854
  Start of MODEL   24
    1    H    GLY   1           H        GLY   1 -25.549  -7.552  -2.308
    2   1HA   GLY   1          2HA       GLY   1 -22.751  -7.127  -2.679
    3   2HA   GLY   1          1HA       GLY   1 -23.582  -6.793  -4.198
    4    H    THR   2           H        THR   2 -23.992  -6.163  -0.760
    5    HA   THR   2           HA       THR   2 -25.549  -3.884  -0.807
    6    HB   THR   2           HB       THR   2 -23.425  -4.808   1.181
    7    HG1  THR   2           1HG      THR   2 -24.935  -6.256   1.224
    8   1HG2  THR   2          1HG2      THR   2 -24.604  -3.545   2.917
    9   2HG2  THR   2          2HG2      THR   2 -25.726  -2.882   1.735
   10   3HG2  THR   2          3HG2      THR   2 -24.033  -2.412   1.723
   11    H    ASN   3           H        ASN   3 -24.783  -1.716   0.086
   12    HA   ASN   3           HA       ASN   3 -22.400  -0.721  -1.410
   13   1HB   ASN   3          2HB       ASN   3 -24.732  -0.167  -2.249
   14   2HB   ASN   3          1HB       ASN   3 -24.994   0.726  -0.773
   15   1HD2  ASN   3          1HD2      ASN   3 -25.190   2.252  -2.991
   16   2HD2  ASN   3          2HD2      ASN   3 -23.827   3.245  -3.191
   17    H    GLU   4           H        GLU   4 -21.563  -1.546   0.793
   18    HA   GLU   4           HA       GLU   4 -22.105  -0.247   3.240
   19   1HB   GLU   4          2HB       GLU   4 -19.322  -1.195   2.550
   20   2HB   GLU   4          1HB       GLU   4 -20.147  -1.188   4.082
   21   1HG   GLU   4          2HG       GLU   4 -20.032  -3.472   3.517
   22   2HG   GLU   4          1HG       GLU   4 -21.687  -3.015   3.146
   23    H    CYS   5           H        CYS   5 -20.631   0.984   0.468
   24    HA   CYS   5           HA       CYS   5 -18.615   2.612   1.512
   25   1HB   CYS   5          2HB       CYS   5 -20.403   2.993  -0.901
   26   2HB   CYS   5          1HB       CYS   5 -18.921   3.854  -0.637
   27    H    LEU   6           H        LEU   6 -21.955   3.035   1.006
   28    HA   LEU   6           HA       LEU   6 -22.444   5.713   1.458
   29   1HB   LEU   6          2HB       LEU   6 -24.104   3.350   2.363
   30   2HB   LEU   6          1HB       LEU   6 -24.693   4.971   2.112
   31    HG   LEU   6           HG       LEU   6 -23.483   3.128  -0.004
   32   1HD1  LEU   6          1HD1      LEU   6 -25.757   2.478   0.728
   33   2HD1  LEU   6          2HD1      LEU   6 -25.823   3.106  -0.911
   34   3HD1  LEU   6          3HD1      LEU   6 -26.338   4.111   0.434
   35   1HD2  LEU   6          1HD2      LEU   6 -24.187   4.857  -1.672
   36   2HD2  LEU   6          2HD2      LEU   6 -23.021   5.533  -0.556
   37   3HD2  LEU   6          3HD2      LEU   6 -24.728   5.904  -0.372
   38    H    ASP   7           H        ASP   7 -22.150   3.089   3.712
   39    HA   ASP   7           HA       ASP   7 -22.187   4.896   6.103
   40   1HB   ASP   7          2HB       ASP   7 -23.752   2.850   5.905
   41   2HB   ASP   7          1HB       ASP   7 -22.305   1.861   5.870
   42    H    ASN   8           H        ASN   8 -20.662   3.142   7.636
   43    HA   ASN   8           HA       ASN   8 -18.075   4.008   7.315
   44   1HB   ASN   8          2HB       ASN   8 -19.173   1.567   8.483
   45   2HB   ASN   8          1HB       ASN   8 -17.512   2.005   8.785
   46   1HD2  ASN   8          1HD2      ASN   8 -20.841   3.419   9.060
   47   2HD2  ASN   8          2HD2      ASN   8 -20.503   4.290  10.475
   48    H    ASN   9           H        ASN   9 -16.508   3.485   5.741
   49    HA   ASN   9           HA       ASN   9 -17.000   2.016   3.494
   50   1HB   ASN   9          2HB       ASN   9 -14.349   2.518   4.886
   51   2HB   ASN   9          1HB       ASN   9 -14.482   1.924   3.251
   52   1HD2  ASN   9          1HD2      ASN   9 -16.818   4.314   4.428
   53   2HD2  ASN   9          2HD2      ASN   9 -16.211   5.595   3.501
   54    H    GLY  10           H        GLY  10 -18.031   0.104   3.945
   55   1HA   GLY  10          2HA       GLY  10 -18.088  -2.231   4.009
   56   2HA   GLY  10          1HA       GLY  10 -16.345  -2.194   4.092
   57    H    GLY  11           H        GLY  11 -16.931  -0.218   6.435
   58   1HA   GLY  11          2HA       GLY  11 -18.142  -0.862   8.656
   59   2HA   GLY  11          1HA       GLY  11 -16.997  -2.212   8.618
   60    H    CYS  12           H        CYS  12 -15.877   0.660   7.106
   61    HA   CYS  12           HA       CYS  12 -14.508   1.678   9.486
   62   1HB   CYS  12          2HB       CYS  12 -13.331   0.695   6.900
   63   2HB   CYS  12          1HB       CYS  12 -12.480   1.622   8.070
   64    H    SER  13           H        SER  13 -12.877   3.038   7.135
   65    HA   SER  13           HA       SER  13 -14.768   4.744   5.830
   66   1HB   SER  13          2HB       SER  13 -14.152   6.852   7.070
   67   2HB   SER  13          1HB       SER  13 -14.899   5.676   8.159
   68    HG   SER  13           HG       SER  13 -12.109   6.007   7.713
   69    H    HIS  14           H        HIS  14 -12.592   3.080   5.329
   70    HA   HIS  14           HA       HIS  14 -10.580   4.871   4.093
   71   1HB   HIS  14          2HB       HIS  14 -10.422   2.018   5.122
   72   2HB   HIS  14          1HB       HIS  14  -9.169   2.788   4.195
   73    HD1  HIS  14           1HD      HIS  14  -7.580   4.054   5.618
   74    HD2  HIS  14           2HD      HIS  14 -11.104   3.581   7.612
   75    HE1  HIS  14           1HE      HIS  14  -7.230   4.998   7.880
   76    H    VAL  15           H        VAL  15 -11.407   1.508   3.481
   77    HA   VAL  15           HA       VAL  15 -12.238   2.220   0.704
   78    HB   VAL  15           HB       VAL  15 -10.370  -0.029   1.506
   79   1HG1  VAL  15          1HG1      VAL  15 -11.414   0.773  -1.261
   80   2HG1  VAL  15          2HG1      VAL  15 -11.857  -0.686  -0.397
   81   3HG1  VAL  15          3HG1      VAL  15 -10.215  -0.474  -0.967
   82   1HG2  VAL  15          1HG2      VAL  15  -9.850   2.474  -0.141
   83   2HG2  VAL  15          2HG2      VAL  15  -8.703   1.172   0.127
   84   3HG2  VAL  15          3HG2      VAL  15  -9.234   2.163   1.476
   85    H    CYS  16           H        CYS  16 -14.181   1.593   0.413
   86    HA   CYS  16           HA       CYS  16 -15.408  -0.624   1.915
   87   1HB   CYS  16          2HB       CYS  16 -17.449   0.271   0.863
   88   2HB   CYS  16          1HB       CYS  16 -16.554   1.548   1.632
   89    H    ASN  17           H        ASN  17 -13.980  -2.242   0.925
   90    HA   ASN  17           HA       ASN  17 -14.239  -2.574  -2.014
   91   1HB   ASN  17          2HB       ASN  17 -12.060  -2.717  -1.205
   92   2HB   ASN  17          1HB       ASN  17 -12.453  -3.720   0.149
   93   1HD2  ASN  17          1HD2      ASN  17 -11.985  -5.898  -0.231
   94   2HD2  ASN  17          2HD2      ASN  17 -11.839  -6.624  -1.754
   95    H    ASP  18           H        ASP  18 -16.169  -3.046  -2.175
   96    HA   ASP  18           HA       ASP  18 -17.893  -4.723  -0.774
   97   1HB   ASP  18          2HB       ASP  18 -18.557  -3.066  -2.529
   98   2HB   ASP  18          1HB       ASP  18 -17.979  -4.166  -3.758
   99    H    LEU  19           H        LEU  19 -16.843  -6.592  -0.207
  100    HA   LEU  19           HA       LEU  19 -15.855  -8.556  -2.009
  101   1HB   LEU  19          2HB       LEU  19 -15.484  -8.134   0.577
  102   2HB   LEU  19          1HB       LEU  19 -16.998  -8.971   0.760
  103    HG   LEU  19           HG       LEU  19 -16.060 -10.985  -0.374
  104   1HD1  LEU  19          1HD1      LEU  19 -13.506  -9.343  -0.147
  105   2HD1  LEU  19          2HD1      LEU  19 -14.292  -9.738  -1.663
  106   3HD1  LEU  19          3HD1      LEU  19 -13.592 -11.017  -0.688
  107   1HD2  LEU  19          1HD2      LEU  19 -14.720 -11.624   1.605
  108   2HD2  LEU  19          2HD2      LEU  19 -16.142 -10.707   2.054
  109   3HD2  LEU  19          3HD2      LEU  19 -14.572  -9.926   2.048
  110    H    LYS  20           H        LYS  20 -16.958 -10.828  -1.957
  111    HA   LYS  20           HA       LYS  20 -19.642 -10.509  -3.012
  112   1HB   LYS  20          2HB       LYS  20 -19.511 -12.969  -3.350
  113   2HB   LYS  20          1HB       LYS  20 -18.059 -12.167  -3.912
  114   1HG   LYS  20          2HG       LYS  20 -16.884 -12.827  -1.782
  115   2HG   LYS  20          1HG       LYS  20 -18.336 -13.647  -1.251
  116   1HD   LYS  20          2HD       LYS  20 -16.796 -15.286  -2.179
  117   2HD   LYS  20          1HD       LYS  20 -18.237 -15.188  -3.167
  118   1HE   LYS  20          2HE       LYS  20 -16.183 -15.284  -4.561
  119   2HE   LYS  20          1HE       LYS  20 -17.018 -13.766  -4.825
  120   1HZ   LYS  20          1HZ       LYS  20 -14.768 -14.136  -2.931
  121   2HZ   LYS  20          2HZ       LYS  20 -15.505 -12.667  -3.363
  122   3HZ   LYS  20          3HZ       LYS  20 -14.609 -13.539  -4.514
  123    H    ILE  21           H        ILE  21 -18.198 -11.940  -0.107
  124    HA   ILE  21           HA       ILE  21 -20.662 -11.519   1.435
  125    HB   ILE  21           HB       ILE  21 -19.150 -14.159   1.165
  126   1HG1  ILE  21          2HG1      ILE  21 -22.028 -13.465   0.394
  127   2HG1  ILE  21          1HG1      ILE  21 -20.718 -13.755  -0.732
  128   1HG2  ILE  21          1HG2      ILE  21 -21.503 -13.412   2.945
  129   2HG2  ILE  21          2HG2      ILE  21 -19.861 -13.729   3.490
  130   3HG2  ILE  21          3HG2      ILE  21 -20.817 -15.030   2.814
  131   1HD1  ILE  21          1HD1      ILE  21 -20.498 -16.082   0.054
  132   2HD1  ILE  21          2HD1      ILE  21 -22.116 -15.753  -0.542
  133   3HD1  ILE  21          3HD1      ILE  21 -21.824 -15.844   1.183
  134    H    GLY  22           H        GLY  22 -19.889 -10.240   3.051
  135   1HA   GLY  22          2HA       GLY  22 -18.750  -9.817   5.046
  136   2HA   GLY  22          1HA       GLY  22 -17.616 -11.073   4.614
  137    H    TYR  23           H        TYR  23 -18.740  -8.142   3.228
  138    HA   TYR  23           HA       TYR  23 -16.884  -7.048   1.640
  139   1HB   TYR  23          2HB       TYR  23 -18.195  -5.383   3.767
  140   2HB   TYR  23          1HB       TYR  23 -17.692  -4.884   2.167
  141    HD1  TYR  23           1HD      TYR  23 -20.422  -6.058   4.023
  142    HD2  TYR  23           2HD      TYR  23 -18.705  -6.360   0.157
  143    HE1  TYR  23           1HE      TYR  23 -22.587  -6.789   3.118
  144    HE2  TYR  23           2HE      TYR  23 -20.858  -7.089  -0.756
  145    HH   TYR  23           HH       TYR  23 -23.109  -7.169  -0.316
  146    H    GLU  24           H        GLU  24 -15.262  -5.450   1.737
  147    HA   GLU  24           HA       GLU  24 -13.487  -5.756   4.065
  148   1HB   GLU  24          2HB       GLU  24 -12.949  -5.208   1.208
  149   2HB   GLU  24          1HB       GLU  24 -11.711  -5.278   2.419
  150   1HG   GLU  24          2HG       GLU  24 -13.591  -7.503   1.562
  151   2HG   GLU  24          1HG       GLU  24 -11.878  -7.399   1.189
  152    H    CYS  25           H        CYS  25 -12.113  -4.427   4.573
  153    HA   CYS  25           HA       CYS  25 -12.528  -1.560   4.472
  154   1HB   CYS  25          2HB       CYS  25 -13.196  -2.450   6.626
  155   2HB   CYS  25          1HB       CYS  25 -11.808  -3.491   6.693
  156    H    LEU  26           H        LEU  26 -10.965  -2.091   2.501
  157    HA   LEU  26           HA       LEU  26  -8.272  -2.885   3.198
  158   1HB   LEU  26          2HB       LEU  26  -9.091  -1.439   0.662
  159   2HB   LEU  26          1HB       LEU  26  -7.762  -2.505   0.934
  160    HG   LEU  26           HG       LEU  26 -10.630  -3.423   0.976
  161   1HD1  LEU  26          1HD1      LEU  26  -8.421  -3.897  -1.070
  162   2HD1  LEU  26          2HD1      LEU  26  -9.851  -2.910  -1.316
  163   3HD1  LEU  26          3HD1      LEU  26  -9.996  -4.645  -1.113
  164   1HD2  LEU  26          1HD2      LEU  26  -9.263  -4.785   2.505
  165   2HD2  LEU  26          2HD2      LEU  26  -8.088  -5.064   1.227
  166   3HD2  LEU  26          3HD2      LEU  26  -9.718  -5.709   1.091
  167    H    CYS  27           H        CYS  27  -6.641  -1.263   1.935
  168    HA   CYS  27           HA       CYS  27  -6.563   1.112   3.653
  169   1HB   CYS  27          2HB       CYS  27  -4.469  -0.306   2.058
  170   2HB   CYS  27          1HB       CYS  27  -4.184   1.047   3.121
  171    HA   PRO  28           HA       PRO  28  -7.469   3.928   0.271
  172   1HB   PRO  28          2HB       PRO  28  -5.863   5.867   1.853
  173   2HB   PRO  28          1HB       PRO  28  -7.501   5.971   1.290
  174   1HG   PRO  28          2HG       PRO  28  -7.036   5.546   3.834
  175   2HG   PRO  28          1HG       PRO  28  -8.340   4.653   3.022
  176   1HD   PRO  28          2HD       PRO  28  -5.554   3.739   3.662
  177   2HD   PRO  28          1HD       PRO  28  -7.112   2.923   3.929
  178    H    ASP  29           H        ASP  29  -4.298   4.371   1.683
  179    HA   ASP  29           HA       ASP  29  -3.067   5.329  -0.761
  180   1HB   ASP  29          2HB       ASP  29  -1.078   5.538   0.642
  181   2HB   ASP  29          1HB       ASP  29  -2.467   6.143   1.511
  182    H    GLY  30           H        GLY  30  -0.725   4.446  -1.008
  183   1HA   GLY  30          2HA       GLY  30  -0.676   2.258  -2.625
  184   2HA   GLY  30          1HA       GLY  30   0.733   2.794  -1.731
  185    H    PHE  31           H        PHE  31  -0.195   2.172   0.870
  186    HA   PHE  31           HA       PHE  31   0.681  -0.441   1.196
  187   1HB   PHE  31          2HB       PHE  31  -1.151   1.214   2.946
  188   2HB   PHE  31          1HB       PHE  31  -0.446  -0.292   3.443
  189    HD1  PHE  31           1HD      PHE  31   0.388   1.406   5.288
  190    HD2  PHE  31           2HD      PHE  31   1.916   1.316   1.302
  191    HE1  PHE  31           1HE      PHE  31   2.467   2.469   6.032
  192    HE2  PHE  31           2HE      PHE  31   3.951   2.365   2.054
  193    HZ   PHE  31           HZ       PHE  31   4.263   2.930   4.377
  194    H    GLN  32           H        GLN  32  -0.268  -2.153   2.166
  195    HA   GLN  32           HA       GLN  32  -2.860  -3.007   0.931
  196   1HB   GLN  32          2HB       GLN  32  -0.828  -4.200   0.099
  197   2HB   GLN  32          1HB       GLN  32  -0.413  -4.646   1.739
  198   1HG   GLN  32          2HG       GLN  32  -2.544  -5.970   1.909
  199   2HG   GLN  32          1HG       GLN  32  -2.932  -5.526   0.250
  200   1HE2  GLN  32          1HE2      GLN  32  -1.890  -6.707  -1.428
  201   2HE2  GLN  32          2HE2      GLN  32  -0.775  -7.953  -1.132
  202    H    LEU  33           H        LEU  33  -4.174  -4.412   2.218
  203    HA   LEU  33           HA       LEU  33  -4.135  -3.691   5.078
  204   1HB   LEU  33          2HB       LEU  33  -6.248  -3.942   3.491
  205   2HB   LEU  33          1HB       LEU  33  -6.007  -5.665   3.645
  206    HG   LEU  33           HG       LEU  33  -6.151  -5.359   6.186
  207   1HD1  LEU  33          1HD1      LEU  33  -5.613  -2.906   6.218
  208   2HD1  LEU  33          2HD1      LEU  33  -7.172  -3.181   6.955
  209   3HD1  LEU  33          3HD1      LEU  33  -7.078  -2.580   5.320
  210   1HD2  LEU  33          1HD2      LEU  33  -8.585  -4.523   4.554
  211   2HD2  LEU  33          2HD2      LEU  33  -8.628  -5.159   6.186
  212   3HD2  LEU  33          3HD2      LEU  33  -8.090  -6.177   4.860
  213    H    VAL  34           H        VAL  34  -2.244  -4.683   5.704
  214    HA   VAL  34           HA       VAL  34  -1.574  -7.421   5.014
  215    HB   VAL  34           HB       VAL  34  -0.269  -5.429   6.898
  216   1HG1  VAL  34          1HG1      VAL  34   1.744  -6.883   6.741
  217   2HG1  VAL  34          2HG1      VAL  34   0.839  -8.057   5.795
  218   3HG1  VAL  34          3HG1      VAL  34   0.421  -7.764   7.475
  219   1HG2  VAL  34          1HG2      VAL  34   1.333  -5.135   5.011
  220   2HG2  VAL  34          2HG2      VAL  34  -0.295  -4.717   4.522
  221   3HG2  VAL  34          3HG2      VAL  34   0.397  -6.252   4.034
  222    H    ALA  35           H        ALA  35  -1.550  -6.189   8.337
  223    HA   ALA  35           HA       ALA  35  -2.123  -8.802   9.318
  224   1HB   ALA  35          1HB       ALA  35  -1.853  -7.740  11.567
  225   2HB   ALA  35          2HB       ALA  35  -1.741  -6.176  10.792
  226   3HB   ALA  35          3HB       ALA  35  -0.525  -7.394  10.474
  227    H    GLN  36           H        GLN  36  -4.236  -8.473   8.005
  228    HA   GLN  36           HA       GLN  36  -6.514  -8.804   8.029
  229   1HB   GLN  36          2HB       GLN  36  -6.329  -8.320  11.036
  230   2HB   GLN  36          1HB       GLN  36  -7.728  -8.935  10.191
  231   1HG   GLN  36          2HG       GLN  36  -6.444 -10.910   9.424
  232   2HG   GLN  36          1HG       GLN  36  -5.002 -10.306  10.231
  233   1HE2  GLN  36          1HE2      GLN  36  -5.008 -10.254  12.601
  234   2HE2  GLN  36          2HE2      GLN  36  -6.107 -11.203  13.483
  235    H    ARG  37           H        ARG  37  -5.615  -6.032  10.052
  236    HA   ARG  37           HA       ARG  37  -7.483  -4.360   8.521
  237   1HB   ARG  37          2HB       ARG  37  -8.549  -3.380  10.484
  238   2HB   ARG  37          1HB       ARG  37  -8.833  -5.096  10.441
  239   1HG   ARG  37          2HG       ARG  37  -6.798  -3.706  12.233
  240   2HG   ARG  37          1HG       ARG  37  -8.369  -4.300  12.733
  241   1HD   ARG  37          2HD       ARG  37  -7.663  -6.602  12.018
  242   2HD   ARG  37          1HD       ARG  37  -6.050  -5.942  11.727
  243    HE   ARG  37           HE       ARG  37  -6.437  -5.121  14.261
  244   1HH1  ARG  37          2HH1      ARG  37  -6.889  -8.203  12.730
  245   2HH1  ARG  37          1HH1      ARG  37  -6.526  -9.094  14.165
  246   1HH2  ARG  37          1HH2      ARG  37  -5.983  -6.236  16.090
  247   2HH2  ARG  37          2HH2      ARG  37  -6.009  -7.969  16.095
  248    H    ARG  38           H        ARG  38  -4.541  -4.751   9.062
  249    HA   ARG  38           HA       ARG  38  -3.802  -1.994   9.964
  250   1HB   ARG  38          2HB       ARG  38  -2.897  -3.959  11.260
  251   2HB   ARG  38          1HB       ARG  38  -2.106  -4.488   9.783
  252   1HG   ARG  38          2HG       ARG  38  -0.796  -2.388   9.686
  253   2HG   ARG  38          1HG       ARG  38  -1.581  -1.820  11.148
  254   1HD   ARG  38          2HD       ARG  38   0.180  -4.309  10.888
  255   2HD   ARG  38          1HD       ARG  38   0.624  -2.822  11.712
  256    HE   ARG  38           HE       ARG  38  -1.019  -4.944  12.785
  257   1HH1  ARG  38          2HH1      ARG  38  -0.519  -1.515  12.831
  258   2HH1  ARG  38          1HH1      ARG  38  -1.203  -1.325  14.411
  259   1HH2  ARG  38          1HH2      ARG  38  -1.881  -4.731  14.772
  260   2HH2  ARG  38          2HH2      ARG  38  -1.986  -3.177  15.530
  261    H    CYS  39           H        CYS  39  -2.865  -0.678   8.521
  262    HA   CYS  39           HA       CYS  39  -2.451  -1.664   5.766
  263   1HB   CYS  39          2HB       CYS  39  -2.594   1.127   6.900
  264   2HB   CYS  39          1HB       CYS  39  -2.391   0.753   5.201
  265    H    GLU  40           H        GLU  40  -0.566  -2.084   4.967
  266    HA   GLU  40           HA       GLU  40   1.807  -0.490   5.567
  267   1HB   GLU  40          2HB       GLU  40   1.704  -2.067   7.500
  268   2HB   GLU  40          1HB       GLU  40   1.758  -3.417   6.383
  269   1HG   GLU  40          2HG       GLU  40   3.968  -2.600   5.525
  270   2HG   GLU  40          1HG       GLU  40   3.898  -1.261   6.655
  271    H    ASP  41           H        ASP  41   3.461  -0.796   4.086
  272    HA   ASP  41           HA       ASP  41   2.729  -2.128   1.568
  273   1HB   ASP  41          2HB       ASP  41   3.682   0.133   1.483
  274   2HB   ASP  41          1HB       ASP  41   5.110  -0.382   2.342
  275    H    ILE  42           H        ILE  42   4.476  -3.325   0.438
  276    HA   ILE  42           HA       ILE  42   5.317  -5.512   2.010
  277    HB   ILE  42           HB       ILE  42   4.866  -5.746  -0.429
  278   1HG1  ILE  42          2HG1      ILE  42   7.806  -6.294   0.225
  279   2HG1  ILE  42          1HG1      ILE  42   6.471  -7.344   0.655
  280   1HG2  ILE  42          1HG2      ILE  42   7.332  -3.977  -0.857
  281   2HG2  ILE  42          2HG2      ILE  42   5.674  -3.500  -1.160
  282   3HG2  ILE  42          3HG2      ILE  42   6.410  -4.752  -2.126
  283   1HD1  ILE  42          1HD1      ILE  42   7.609  -8.155  -1.379
  284   2HD1  ILE  42          2HD1      ILE  42   7.315  -6.637  -2.195
  285   3HD1  ILE  42          3HD1      ILE  42   5.964  -7.675  -1.763
  286    H    ASP  43           H        ASP  43   7.311  -5.861   3.038
  287    HA   ASP  43           HA       ASP  43   9.078  -3.489   3.189
  288   1HB   ASP  43          2HB       ASP  43   8.478  -4.793   5.274
  289   2HB   ASP  43          1HB       ASP  43   9.365  -6.168   4.638
  290    H    GLU  44           H        GLU  44   9.845  -3.507   1.215
  291    HA   GLU  44           HA       GLU  44  10.976  -5.699  -0.200
  292   1HB   GLU  44          2HB       GLU  44  11.798  -3.917  -1.742
  293   2HB   GLU  44          1HB       GLU  44  10.106  -3.764  -1.368
  294   1HG   GLU  44          2HG       GLU  44  12.274  -2.108  -0.014
  295   2HG   GLU  44          1HG       GLU  44  11.328  -1.597  -1.395
  296    H    CYS  45           H        CYS  45  12.295  -3.833   2.456
  297    HA   CYS  45           HA       CYS  45  14.992  -3.921   1.629
  298   1HB   CYS  45          2HB       CYS  45  13.757  -3.877   4.377
  299   2HB   CYS  45          1HB       CYS  45  15.438  -3.934   4.150
  300    H    GLN  46           H        GLN  46  13.275  -5.836   3.929
  301    HA   GLN  46           HA       GLN  46  14.934  -7.843   4.678
  302   1HB   GLN  46          2HB       GLN  46  12.004  -8.090   3.933
  303   2HB   GLN  46          1HB       GLN  46  12.873  -9.236   4.910
  304   1HG   GLN  46          2HG       GLN  46  12.407  -6.288   5.574
  305   2HG   GLN  46          1HG       GLN  46  11.575  -7.631   6.332
  306   1HE2  GLN  46          1HE2      GLN  46  14.563  -5.816   6.202
  307   2HE2  GLN  46          2HE2      GLN  46  15.307  -6.556   7.536
  308    H    ASP  47           H        ASP  47  13.171  -7.753   1.683
  309    HA   ASP  47           HA       ASP  47  13.995 -10.339   0.826
  310   1HB   ASP  47          2HB       ASP  47  11.853  -9.366   0.077
  311   2HB   ASP  47          1HB       ASP  47  12.709  -8.057  -0.720
  312    HA   PRO  48           HA       PRO  48  17.897  -8.835  -0.815
  313   1HB   PRO  48          2HB       PRO  48  18.854 -11.120  -1.848
  314   2HB   PRO  48          1HB       PRO  48  18.618 -10.953  -0.124
  315   1HG   PRO  48          2HG       PRO  48  16.815 -12.275  -2.115
  316   2HG   PRO  48          1HG       PRO  48  17.343 -12.857  -0.526
  317   1HD   PRO  48          2HD       PRO  48  14.936 -11.648  -0.968
  318   2HD   PRO  48          1HD       PRO  48  15.784 -11.620   0.589
  319    H    ASP  49           H        ASP  49  16.520  -7.506  -2.256
  320    HA   ASP  49           HA       ASP  49  17.136  -8.112  -5.087
  321   1HB   ASP  49          2HB       ASP  49  14.799  -8.842  -4.751
  322   2HB   ASP  49          1HB       ASP  49  14.415  -7.299  -4.000
  323    H    THR  50           H        THR  50  16.085  -5.882  -2.613
  324    HA   THR  50           HA       THR  50  16.441  -3.474  -4.116
  325    HB   THR  50           HB       THR  50  16.229  -2.451  -1.748
  326    HG1  THR  50           1HG      THR  50  15.542  -4.336  -0.317
  327   1HG2  THR  50          1HG2      THR  50  14.215  -4.671  -2.403
  328   2HG2  THR  50          2HG2      THR  50  14.159  -3.067  -3.119
  329   3HG2  THR  50          3HG2      THR  50  13.924  -3.262  -1.391
  330    H    CYS  51           H        CYS  51  18.192  -3.670  -1.086
  331    HA   CYS  51           HA       CYS  51  20.590  -2.577  -2.385
  332   1HB   CYS  51          2HB       CYS  51  19.981  -3.164   0.513
  333   2HB   CYS  51          1HB       CYS  51  21.200  -2.080  -0.109
  334    H    SER  52           H        SER  52  22.814  -3.525  -1.523
  335    HA   SER  52           HA       SER  52  22.951  -6.253  -2.309
  336   1HB   SER  52          2HB       SER  52  24.928  -4.463  -0.824
  337   2HB   SER  52          1HB       SER  52  25.343  -6.001  -1.600
  338    HG   SER  52           HG       SER  52  24.435  -5.123  -3.537
  339    H    GLN  53           H        GLN  53  23.032  -4.669   0.824
  340    HA   GLN  53           HA       GLN  53  22.306  -7.231   2.161
  341   1HB   GLN  53          2HB       GLN  53  24.505  -5.318   2.988
  342   2HB   GLN  53          1HB       GLN  53  23.900  -6.587   4.033
  343   1HG   GLN  53          2HG       GLN  53  25.106  -7.022   1.294
  344   2HG   GLN  53          1HG       GLN  53  25.977  -7.223   2.804
  345   1HE2  GLN  53          1HE2      GLN  53  24.418  -9.001   0.474
  346   2HE2  GLN  53          2HE2      GLN  53  23.917 -10.324   1.413
  347    H    LEU  54           H        LEU  54  23.149  -4.515   4.175
  348    HA   LEU  54           HA       LEU  54  20.556  -4.489   5.287
  349   1HB   LEU  54          2HB       LEU  54  22.772  -2.455   5.454
  350   2HB   LEU  54          1HB       LEU  54  21.311  -2.412   6.416
  351    HG   LEU  54           HG       LEU  54  23.529  -4.455   6.556
  352   1HD1  LEU  54          1HD1      LEU  54  22.228  -2.483   8.472
  353   2HD1  LEU  54          2HD1      LEU  54  23.758  -2.216   7.676
  354   3HD1  LEU  54          3HD1      LEU  54  23.603  -3.513   8.860
  355   1HD2  LEU  54          1HD2      LEU  54  22.157  -5.531   8.321
  356   2HD2  LEU  54          2HD2      LEU  54  21.277  -5.588   6.806
  357   3HD2  LEU  54          3HD2      LEU  54  20.847  -4.394   8.023
  358    H    CYS  55           H        CYS  55  19.346  -2.811   5.691
  359    HA   CYS  55           HA       CYS  55  18.944  -0.622   3.782
  360   1HB   CYS  55          2HB       CYS  55  18.158  -2.556   2.497
  361   2HB   CYS  55          1HB       CYS  55  17.156  -3.058   3.792
  362    H    VAL  56           H        VAL  56  16.727   0.390   4.169
  363    HA   VAL  56           HA       VAL  56  15.779   0.177   6.966
  364    HB   VAL  56           HB       VAL  56  17.521   1.934   7.020
  365   1HG1  VAL  56          1HG1      VAL  56  17.579   2.611   4.658
  366   2HG1  VAL  56          2HG1      VAL  56  17.378   4.001   5.703
  367   3HG1  VAL  56          3HG1      VAL  56  16.006   3.381   4.814
  368   1HG2  VAL  56          1HG2      VAL  56  14.723   3.126   7.079
  369   2HG2  VAL  56          2HG2      VAL  56  16.141   3.839   7.827
  370   3HG2  VAL  56          3HG2      VAL  56  15.526   2.300   8.404
  371    H    ASN  57           H        ASN  57  13.830  -0.338   6.649
  372    HA   ASN  57           HA       ASN  57  12.259   0.423   4.306
  373   1HB   ASN  57          2HB       ASN  57  12.218  -1.882   5.212
  374   2HB   ASN  57          1HB       ASN  57  11.590  -1.261   6.723
  375   1HD2  ASN  57          1HD2      ASN  57   9.565  -2.274   6.742
  376   2HD2  ASN  57          2HD2      ASN  57   8.373  -1.992   5.568
  377    H    LEU  58           H        LEU  58  10.218   1.132   4.436
  378    HA   LEU  58           HA       LEU  58   8.827   2.476   6.528
  379   1HB   LEU  58          2HB       LEU  58   9.167   4.841   5.934
  380   2HB   LEU  58          1HB       LEU  58  10.685   4.143   6.383
  381    HG   LEU  58           HG       LEU  58   9.882   4.480   3.461
  382   1HD1  LEU  58          1HD1      LEU  58  10.038   6.703   4.628
  383   2HD1  LEU  58          2HD1      LEU  58  11.365   6.478   3.504
  384   3HD1  LEU  58          3HD1      LEU  58  11.631   6.269   5.228
  385   1HD2  LEU  58          1HD2      LEU  58  12.548   4.028   4.864
  386   2HD2  LEU  58          2HD2      LEU  58  12.333   4.247   3.144
  387   3HD2  LEU  58          3HD2      LEU  58  11.689   2.826   3.915
  388    H    GLU  59           H        GLU  59   7.788   4.486   4.896
  389    HA   GLU  59           HA       GLU  59   5.825   2.986   3.435
  390   1HB   GLU  59          2HB       GLU  59   5.320   5.188   4.677
  391   2HB   GLU  59          1HB       GLU  59   6.321   6.026   3.512
  392   1HG   GLU  59          2HG       GLU  59   4.654   5.374   1.671
  393   2HG   GLU  59          1HG       GLU  59   3.668   4.604   2.881
  394    H    GLY  60           H        GLY  60   6.935   1.882   2.258
  395   1HA   GLY  60          2HA       GLY  60   7.705   1.093   0.291
  396   2HA   GLY  60          1HA       GLY  60   6.729   2.370  -0.420
  397    H    GLY  61           H        GLY  61   8.767   4.023   1.393
  398   1HA   GLY  61          2HA       GLY  61  10.573   4.733  -0.817
  399   2HA   GLY  61          1HA       GLY  61  10.393   5.592   0.704
  400    H    TYR  62           H        TYR  62  11.021   2.242   0.743
  401    HA   TYR  62           HA       TYR  62  13.078   2.039   2.495
  402   1HB   TYR  62          2HB       TYR  62  13.756  -0.053   1.522
  403   2HB   TYR  62          1HB       TYR  62  12.037   0.136   1.225
  404    HD1  TYR  62           1HD      TYR  62  11.336   1.170  -1.087
  405    HD2  TYR  62           2HD      TYR  62  15.215  -0.388  -0.289
  406    HE1  TYR  62           1HE      TYR  62  11.773   1.009  -3.489
  407    HE2  TYR  62           2HE      TYR  62  15.651  -0.550  -2.684
  408    HH   TYR  62           HH       TYR  62  13.694   0.938  -5.015
  409    H    LYS  63           H        LYS  63  15.212   2.563   2.738
  410    HA   LYS  63           HA       LYS  63  16.719   3.464   0.337
  411   1HB   LYS  63          2HB       LYS  63  16.994   4.378   3.210
  412   2HB   LYS  63          1HB       LYS  63  17.858   4.958   1.849
  413   1HG   LYS  63          2HG       LYS  63  14.853   5.262   2.265
  414   2HG   LYS  63          1HG       LYS  63  16.021   6.535   2.500
  415   1HD   LYS  63          2HD       LYS  63  15.403   5.199  -0.181
  416   2HD   LYS  63          1HD       LYS  63  14.864   6.780   0.327
  417   1HE   LYS  63          2HE       LYS  63  17.787   5.989  -0.058
  418   2HE   LYS  63          1HE       LYS  63  16.829   6.969  -1.153
  419   1HZ   LYS  63          1HZ       LYS  63  17.673   7.628   1.595
  420   2HZ   LYS  63          2HZ       LYS  63  16.453   8.489   0.784
  421   3HZ   LYS  63          3HZ       LYS  63  18.031   8.453   0.154
  422    H    CYS  64           H        CYS  64  19.029   3.074   0.596
  423    HA   CYS  64           HA       CYS  64  19.509   0.437   1.779
  424   1HB   CYS  64          2HB       CYS  64  21.152   2.172  -0.034
  425   2HB   CYS  64          1HB       CYS  64  21.629   0.595   0.503
  426    H    GLN  65           H        GLN  65  21.471  -0.116   2.625
  427    HA   GLN  65           HA       GLN  65  22.987   1.788   4.349
  428   1HB   GLN  65          2HB       GLN  65  21.661  -0.736   5.320
  429   2HB   GLN  65          1HB       GLN  65  22.689   0.284   6.298
  430   1HG   GLN  65          2HG       GLN  65  21.026   2.163   6.002
  431   2HG   GLN  65          1HG       GLN  65  19.966   1.048   5.151
  432   1HE2  GLN  65          1HE2      GLN  65  19.565   2.432   7.794
  433   2HE2  GLN  65          2HE2      GLN  65  19.255   1.184   8.901
  434    H    CYS  66           H        CYS  66  24.367  -0.298   5.644
  435    HA   CYS  66           HA       CYS  66  25.590  -1.902   3.488
  436   1HB   CYS  66          2HB       CYS  66  27.058  -0.179   5.400
  437   2HB   CYS  66          1HB       CYS  66  27.729  -1.157   4.235
  438    H    GLU  67           H        GLU  67  26.775  -3.493   4.001
  439    HA   GLU  67           HA       GLU  67  26.304  -4.812   6.616
  440   1HB   GLU  67          2HB       GLU  67  25.996  -5.916   4.376
  441   2HB   GLU  67          1HB       GLU  67  27.706  -5.794   4.073
  442   1HG   GLU  67          2HG       GLU  67  26.413  -7.412   6.316
  443   2HG   GLU  67          1HG       GLU  67  26.984  -8.086   4.810
  444    H    GLU  68           H        GLU  68  27.597  -2.747   7.206
  445    HA   GLU  68           HA       GLU  68  29.471  -1.762   8.093
  446   1HB   GLU  68          2HB       GLU  68  30.295  -4.686   8.289
  447   2HB   GLU  68          1HB       GLU  68  31.161  -3.389   9.066
  448   1HG   GLU  68          2HG       GLU  68  29.572  -4.447  10.652
  449   2HG   GLU  68          1HG       GLU  68  29.098  -2.788  10.354
  450    H    GLY  69           H        GLY  69  31.224  -4.358   6.514
  451   1HA   GLY  69          2HA       GLY  69  33.428  -2.862   5.698
  452   2HA   GLY  69          1HA       GLY  69  33.011  -4.449   5.087
  453    H    PHE  70           H        PHE  70  30.354  -3.021   4.215
  454    HA   PHE  70           HA       PHE  70  31.217  -2.643   1.543
  455   1HB   PHE  70          2HB       PHE  70  28.591  -2.079   2.881
  456   2HB   PHE  70          1HB       PHE  70  28.853  -1.866   1.177
  457    HD1  PHE  70           1HD      PHE  70  26.884  -3.306   0.880
  458    HD2  PHE  70           2HD      PHE  70  30.476  -4.760   2.640
  459    HE1  PHE  70           1HE      PHE  70  26.192  -5.601   0.449
  460    HE2  PHE  70           2HE      PHE  70  29.774  -7.068   2.209
  461    HZ   PHE  70           HZ       PHE  70  27.621  -7.495   1.102
  462    H    GLN  71           H        GLN  71  30.994  -0.734   0.256
  463    HA   GLN  71           HA       GLN  71  31.067   1.826   1.687
  464   1HB   GLN  71          2HB       GLN  71  32.981   0.627  -0.291
  465   2HB   GLN  71          1HB       GLN  71  32.728   2.332  -0.383
  466   1HG   GLN  71          2HG       GLN  71  33.530   0.861   2.176
  467   2HG   GLN  71          1HG       GLN  71  34.648   1.758   1.148
  468   1HE2  GLN  71          1HE2      GLN  71  34.331   2.610   3.786
  469   2HE2  GLN  71          2HE2      GLN  71  33.475   4.076   3.830
  470    H    LEU  72           H        LEU  72  31.033   3.593   0.141
  471    HA   LEU  72           HA       LEU  72  28.498   3.337  -1.315
  472   1HB   LEU  72          2HB       LEU  72  29.010   5.370   0.003
  473   2HB   LEU  72          1HB       LEU  72  30.341   5.738  -1.078
  474    HG   LEU  72           HG       LEU  72  28.690   5.800  -3.007
  475   1HD1  LEU  72          1HD1      LEU  72  26.272   5.947  -2.517
  476   2HD1  LEU  72          2HD1      LEU  72  26.577   5.580  -0.828
  477   3HD1  LEU  72          3HD1      LEU  72  26.893   4.376  -2.066
  478   1HD2  LEU  72          1HD2      LEU  72  27.693   7.992  -2.372
  479   2HD2  LEU  72          2HD2      LEU  72  29.367   7.891  -1.846
  480   3HD2  LEU  72          3HD2      LEU  72  28.066   7.674  -0.684
  481    H    ASP  73           H        ASP  73  28.649   2.247  -3.082
  482    HA   ASP  73           HA       ASP  73  30.818   2.395  -5.009
  483   1HB   ASP  73          2HB       ASP  73  29.507   0.336  -4.733
  484   2HB   ASP  73          1HB       ASP  73  28.029   1.161  -5.172
  485    HA   PRO  74           HA       PRO  74  28.946   6.116  -6.789
  486   1HB   PRO  74          2HB       PRO  74  30.813   6.682  -8.648
  487   2HB   PRO  74          1HB       PRO  74  31.135   6.913  -6.944
  488   1HG   PRO  74          2HG       PRO  74  31.897   4.585  -8.668
  489   2HG   PRO  74          1HG       PRO  74  32.884   5.508  -7.521
  490   1HD   PRO  74          2HD       PRO  74  31.778   3.138  -6.870
  491   2HD   PRO  74          1HD       PRO  74  32.007   4.432  -5.683
  492    H    HIS  75           H        HIS  75  28.223   6.813  -8.879
  493    HA   HIS  75           HA       HIS  75  26.985   6.566 -10.833
  494   1HB   HIS  75          2HB       HIS  75  28.823   4.165 -11.288
  495   2HB   HIS  75          1HB       HIS  75  27.836   4.953 -12.511
  496    HD1  HIS  75           1HD      HIS  75  30.857   5.562 -10.455
  497    HD2  HIS  75           2HD      HIS  75  28.806   7.453 -13.434
  498    HE1  HIS  75           1HE      HIS  75  32.296   7.416 -11.219
  499    H    THR  76           H        THR  76  26.772   4.574  -8.389
  500    HA   THR  76           HA       THR  76  24.341   3.151  -9.343
  501    HB   THR  76           HB       THR  76  25.096   1.169  -7.902
  502    HG1  THR  76           1HG      THR  76  26.963   1.331  -6.900
  503   1HG2  THR  76          1HG2      THR  76  26.938   0.351  -9.390
  504   2HG2  THR  76          2HG2      THR  76  27.273   1.986  -9.934
  505   3HG2  THR  76          3HG2      THR  76  25.783   1.188 -10.414
  506    H    LYS  77           H        LYS  77  26.330   4.323  -6.848
  507    HA   LYS  77           HA       LYS  77  25.999   5.372  -4.805
  508   1HB   LYS  77          2HB       LYS  77  23.230   5.543  -5.735
  509   2HB   LYS  77          1HB       LYS  77  23.857   6.442  -4.377
  510   1HG   LYS  77          2HG       LYS  77  25.586   7.467  -5.904
  511   2HG   LYS  77          1HG       LYS  77  24.854   6.640  -7.265
  512   1HD   LYS  77          2HD       LYS  77  22.715   7.844  -6.855
  513   2HD   LYS  77          1HD       LYS  77  23.450   8.688  -5.503
  514   1HE   LYS  77          2HE       LYS  77  24.394   8.845  -8.402
  515   2HE   LYS  77          1HE       LYS  77  23.510  10.099  -7.545
  516   1HZ   LYS  77          1HZ       LYS  77  26.286   9.262  -7.256
  517   2HZ   LYS  77          2HZ       LYS  77  25.483   9.824  -5.869
  518   3HZ   LYS  77          3HZ       LYS  77  25.611  10.821  -7.239
  519    H    ALA  78           H        ALA  78  25.000   2.404  -5.475
  520    HA   ALA  78           HA       ALA  78  23.451   1.804  -3.029
  521   1HB   ALA  78          1HB       ALA  78  23.478  -0.519  -3.932
  522   2HB   ALA  78          2HB       ALA  78  24.607  -0.025  -5.188
  523   3HB   ALA  78          3HB       ALA  78  22.968   0.609  -5.182
  524    H    CYS  79           H        CYS  79  24.382   0.039  -1.533
  525    HA   CYS  79           HA       CYS  79  27.311   0.585  -1.212
  526   1HB   CYS  79          2HB       CYS  79  25.553   0.845   0.768
  527   2HB   CYS  79          1HB       CYS  79  25.713  -0.899   0.842
  528    H    LYS  80           H        LYS  80  28.749  -1.073  -1.039
  529    HA   LYS  80           HA       LYS  80  27.894  -3.871  -1.126
  530   1HB   LYS  80          2HB       LYS  80  29.037  -4.413  -3.074
  531   2HB   LYS  80          1HB       LYS  80  27.662  -3.381  -3.463
  532   1HG   LYS  80          2HG       LYS  80  29.253  -1.385  -3.525
  533   2HG   LYS  80          1HG       LYS  80  30.603  -2.488  -3.361
  534   1HD   LYS  80          2HD       LYS  80  28.617  -2.488  -5.663
  535   2HD   LYS  80          1HD       LYS  80  30.250  -1.855  -5.720
  536   1HE   LYS  80          2HE       LYS  80  31.159  -4.126  -5.247
  537   2HE   LYS  80          1HE       LYS  80  29.523  -4.774  -5.212
  538   1HZ   LYS  80          1HZ       LYS  80  30.743  -4.997  -7.354
  539   2HZ   LYS  80          2HZ       LYS  80  30.605  -3.314  -7.536
  540   3HZ   LYS  80          3HZ       LYS  80  29.208  -4.276  -7.457
  541    H    ALA  81           H        ALA  81  29.781  -5.290  -0.855
  542    HA   ALA  81           HA       ALA  81  31.728  -4.697   0.959
  543   1HB   ALA  81          1HB       ALA  81  32.085  -6.511  -1.450
  544   2HB   ALA  81          2HB       ALA  81  31.340  -6.955   0.077
  545   3HB   ALA  81          3HB       ALA  81  33.052  -6.572   0.016
  546    H    VAL  82           H        VAL  82  33.181  -3.149   1.122
  547    HA   VAL  82           HA       VAL  82  34.101  -1.427  -0.807
  548    HB   VAL  82           HB       VAL  82  34.478  -1.127   1.615
  549   1HG1  VAL  82          1HG1      VAL  82  36.611  -3.298   1.328
  550   2HG1  VAL  82          2HG1      VAL  82  35.100  -3.487   2.188
  551   3HG1  VAL  82          3HG1      VAL  82  36.302  -2.357   2.777
  552   1HG2  VAL  82          1HG2      VAL  82  35.894   0.187   0.075
  553   2HG2  VAL  82          2HG2      VAL  82  37.093  -1.094   0.050
  554   3HG2  VAL  82          3HG2      VAL  82  36.781  -0.215   1.535
  Start of MODEL   25
    1    H    GLY   1           H        GLY   1 -25.600   0.401  -4.406
    2   1HA   GLY   1          2HA       GLY   1 -23.223  -0.801  -3.658
    3   2HA   GLY   1          1HA       GLY   1 -22.733   0.802  -4.210
    4    H    THR   2           H        THR   2 -23.671  -0.937  -1.568
    5    HA   THR   2           HA       THR   2 -25.318   0.774  -0.103
    6    HB   THR   2           HB       THR   2 -23.295  -1.358   0.810
    7    HG1  THR   2           1HG      THR   2 -24.773  -2.438  -0.166
    8   1HG2  THR   2          1HG2      THR   2 -24.077   0.060   2.802
    9   2HG2  THR   2          2HG2      THR   2 -24.652  -1.587   2.831
   10   3HG2  THR   2          3HG2      THR   2 -25.730  -0.297   2.322
   11    H    ASN   3           H        ASN   3 -24.567   1.677   2.053
   12    HA   ASN   3           HA       ASN   3 -22.539   3.732   1.584
   13   1HB   ASN   3          2HB       ASN   3 -24.911   4.242   2.405
   14   2HB   ASN   3          1HB       ASN   3 -24.632   3.238   3.805
   15   1HD2  ASN   3          1HD2      ASN   3 -24.322   6.440   2.535
   16   2HD2  ASN   3          2HD2      ASN   3 -23.576   7.126   3.896
   17    H    GLU   4           H        GLU   4 -21.609   1.130   1.879
   18    HA   GLU   4           HA       GLU   4 -20.549   0.762   4.543
   19   1HB   GLU   4          2HB       GLU   4 -19.361  -1.083   3.614
   20   2HB   GLU   4          1HB       GLU   4 -20.930  -1.065   2.870
   21   1HG   GLU   4          2HG       GLU   4 -18.364  -0.111   1.534
   22   2HG   GLU   4          1HG       GLU   4 -19.144  -1.643   1.253
   23    H    CYS   5           H        CYS   5 -19.364   2.117   1.535
   24    HA   CYS   5           HA       CYS   5 -16.752   2.666   2.538
   25   1HB   CYS   5          2HB       CYS   5 -18.181   3.478   0.010
   26   2HB   CYS   5          1HB       CYS   5 -16.515   3.839   0.325
   27    H    LEU   6           H        LEU   6 -19.669   4.355   1.789
   28    HA   LEU   6           HA       LEU   6 -18.970   7.013   2.071
   29   1HB   LEU   6          2HB       LEU   6 -21.495   5.606   2.902
   30   2HB   LEU   6          1HB       LEU   6 -21.385   7.325   2.623
   31    HG   LEU   6           HG       LEU   6 -21.077   5.038   0.605
   32   1HD1  LEU   6          1HD1      LEU   6 -23.044   7.332   0.720
   33   2HD1  LEU   6          2HD1      LEU   6 -23.385   5.648   1.080
   34   3HD1  LEU   6          3HD1      LEU   6 -22.963   6.121  -0.551
   35   1HD2  LEU   6          1HD2      LEU   6 -19.377   6.810   0.027
   36   2HD2  LEU   6          2HD2      LEU   6 -20.648   8.024   0.055
   37   3HD2  LEU   6          3HD2      LEU   6 -20.659   6.758  -1.162
   38    H    ASP   7           H        ASP   7 -19.940   4.702   4.517
   39    HA   ASP   7           HA       ASP   7 -19.268   6.584   6.751
   40   1HB   ASP   7          2HB       ASP   7 -21.511   5.335   6.668
   41   2HB   ASP   7          1HB       ASP   7 -20.588   3.847   6.782
   42    H    ASN   8           H        ASN   8 -18.610   4.572   8.551
   43    HA   ASN   8           HA       ASN   8 -15.888   4.253   8.385
   44   1HB   ASN   8          2HB       ASN   8 -17.856   2.425   9.539
   45   2HB   ASN   8          1HB       ASN   8 -16.166   2.432  10.001
   46   1HD2  ASN   8          1HD2      ASN   8 -15.357   4.585  10.911
   47   2HD2  ASN   8          2HD2      ASN   8 -16.439   5.527  11.820
   48    H    ASN   9           H        ASN   9 -14.693   3.234   6.893
   49    HA   ASN   9           HA       ASN   9 -15.406   1.860   4.655
   50   1HB   ASN   9          2HB       ASN   9 -13.204   2.745   5.255
   51   2HB   ASN   9          1HB       ASN   9 -13.033   1.429   6.404
   52   1HD2  ASN   9          1HD2      ASN   9 -12.594  -0.657   5.710
   53   2HD2  ASN   9          2HD2      ASN   9 -11.971  -0.961   4.170
   54    H    GLY  10           H        GLY  10 -17.195   0.503   5.267
   55   1HA   GLY  10          2HA       GLY  10 -18.148  -1.594   5.358
   56   2HA   GLY  10          1HA       GLY  10 -16.524  -2.252   5.442
   57    H    GLY  11           H        GLY  11 -16.199  -0.239   7.741
   58   1HA   GLY  11          2HA       GLY  11 -17.617  -0.361   9.995
   59   2HA   GLY  11          1HA       GLY  11 -16.930  -2.001   9.980
   60    H    CYS  12           H        CYS  12 -14.720  -0.901   8.363
   61    HA   CYS  12           HA       CYS  12 -12.904  -0.006  10.502
   62   1HB   CYS  12          2HB       CYS  12 -12.494  -1.116   7.713
   63   2HB   CYS  12          1HB       CYS  12 -11.222  -0.725   8.810
   64    H    SER  13           H        SER  13 -11.120   0.875   8.254
   65    HA   SER  13           HA       SER  13 -12.229   3.210   6.967
   66   1HB   SER  13          2HB       SER  13 -10.908   4.861   8.261
   67   2HB   SER  13          1HB       SER  13 -12.049   4.015   9.314
   68    HG   SER  13           HG       SER  13  -9.311   3.344   8.906
   69    H    HIS  14           H        HIS  14 -11.012   0.830   6.311
   70    HA   HIS  14           HA       HIS  14  -8.327   1.521   5.258
   71   1HB   HIS  14          2HB       HIS  14  -9.620  -1.133   5.968
   72   2HB   HIS  14          1HB       HIS  14  -8.028  -0.952   5.278
   73    HD1  HIS  14           1HD      HIS  14  -8.197   1.691   7.527
   74    HD2  HIS  14           2HD      HIS  14  -7.803  -2.330   8.072
   75    HE1  HIS  14           1HE      HIS  14  -7.272   1.389   9.798
   76    H    VAL  15           H        VAL  15  -9.852  -1.291   4.061
   77    HA   VAL  15           HA       VAL  15 -10.521   0.027   1.457
   78    HB   VAL  15           HB       VAL  15  -9.530  -2.781   2.009
   79   1HG1  VAL  15          1HG1      VAL  15 -11.115  -2.739   0.069
   80   2HG1  VAL  15          2HG1      VAL  15  -9.485  -3.032  -0.494
   81   3HG1  VAL  15          3HG1      VAL  15 -10.199  -1.438  -0.666
   82   1HG2  VAL  15          1HG2      VAL  15  -7.546  -2.081   0.721
   83   2HG2  VAL  15          2HG2      VAL  15  -7.746  -1.103   2.170
   84   3HG2  VAL  15          3HG2      VAL  15  -8.193  -0.452   0.596
   85    H    CYS  16           H        CYS  16 -12.639   0.207   1.388
   86    HA   CYS  16           HA       CYS  16 -14.465  -1.697   2.645
   87   1HB   CYS  16          2HB       CYS  16 -16.149  -0.122   1.802
   88   2HB   CYS  16          1HB       CYS  16 -14.911   0.745   2.652
   89    H    ASN  17           H        ASN  17 -13.746  -3.576   1.456
   90    HA   ASN  17           HA       ASN  17 -14.176  -3.535  -1.476
   91   1HB   ASN  17          2HB       ASN  17 -12.171  -4.485  -0.797
   92   2HB   ASN  17          1HB       ASN  17 -12.816  -5.363   0.540
   93   1HD2  ASN  17          1HD2      ASN  17 -12.862  -7.549   0.015
   94   2HD2  ASN  17          2HD2      ASN  17 -13.108  -8.202  -1.526
   95    H    ASP  18           H        ASP  18 -16.142  -3.020  -1.138
   96    HA   ASP  18           HA       ASP  18 -18.313  -4.113   0.172
   97   1HB   ASP  18          2HB       ASP  18 -18.328  -1.960  -1.023
   98   2HB   ASP  18          1HB       ASP  18 -18.224  -2.787  -2.565
   99    H    LEU  19           H        LEU  19 -18.095  -6.272   0.209
  100    HA   LEU  19           HA       LEU  19 -18.174  -8.110  -1.910
  101   1HB   LEU  19          2HB       LEU  19 -17.514  -8.302   0.599
  102   2HB   LEU  19          1HB       LEU  19 -19.220  -8.363   0.925
  103    HG   LEU  19           HG       LEU  19 -19.483 -10.443  -0.332
  104   1HD1  LEU  19          1HD1      LEU  19 -17.405 -11.579  -1.087
  105   2HD1  LEU  19          2HD1      LEU  19 -16.458 -10.192  -0.552
  106   3HD1  LEU  19          3HD1      LEU  19 -17.564 -10.033  -1.906
  107   1HD2  LEU  19          1HD2      LEU  19 -18.305 -11.800   1.379
  108   2HD2  LEU  19          2HD2      LEU  19 -19.042 -10.379   2.084
  109   3HD2  LEU  19          3HD2      LEU  19 -17.316 -10.406   1.804
  110    H    LYS  20           H        LYS  20 -20.175  -9.775  -1.835
  111    HA   LYS  20           HA       LYS  20 -22.461  -8.271  -2.809
  112   1HB   LYS  20          2HB       LYS  20 -23.438 -10.537  -3.177
  113   2HB   LYS  20          1HB       LYS  20 -21.789 -10.462  -3.763
  114   1HG   LYS  20          2HG       LYS  20 -21.014 -11.591  -1.632
  115   2HG   LYS  20          1HG       LYS  20 -22.685 -11.708  -1.119
  116   1HD   LYS  20          2HD       LYS  20 -22.006 -13.835  -2.061
  117   2HD   LYS  20          1HD       LYS  20 -23.243 -13.107  -3.063
  118   1HE   LYS  20          2HE       LYS  20 -21.408 -14.072  -4.435
  119   2HE   LYS  20          1HE       LYS  20 -21.493 -12.338  -4.680
  120   1HZ   LYS  20          1HZ       LYS  20 -19.610 -11.987  -3.423
  121   2HZ   LYS  20          2HZ       LYS  20 -19.241 -13.434  -4.235
  122   3HZ   LYS  20          3HZ       LYS  20 -19.733 -13.473  -2.610
  123    H    ILE  21           H        ILE  21 -21.702 -10.297  -0.016
  124    HA   ILE  21           HA       ILE  21 -23.522  -8.838   1.745
  125    HB   ILE  21           HB       ILE  21 -23.570 -11.846   1.259
  126   1HG1  ILE  21          2HG1      ILE  21 -25.763  -9.761   0.810
  127   2HG1  ILE  21          1HG1      ILE  21 -24.885 -10.613  -0.446
  128   1HG2  ILE  21          1HG2      ILE  21 -23.764 -11.295   3.656
  129   2HG2  ILE  21          2HG2      ILE  21 -25.305 -11.889   3.077
  130   3HG2  ILE  21          3HG2      ILE  21 -25.063 -10.160   3.309
  131   1HD1  ILE  21          1HD1      ILE  21 -27.082 -11.634  -0.121
  132   2HD1  ILE  21          2HD1      ILE  21 -26.728 -11.957   1.562
  133   3HD1  ILE  21          3HD1      ILE  21 -25.811 -12.770   0.303
  134    H    GLY  22           H        GLY  22 -22.200  -8.347   3.440
  135   1HA   GLY  22          2HA       GLY  22 -20.853  -8.804   5.298
  136   2HA   GLY  22          1HA       GLY  22 -20.415 -10.320   4.553
  137    H    TYR  23           H        TYR  23 -20.290  -7.085   3.410
  138    HA   TYR  23           HA       TYR  23 -18.105  -6.798   1.863
  139   1HB   TYR  23          2HB       TYR  23 -18.644  -4.765   4.005
  140   2HB   TYR  23          1HB       TYR  23 -18.012  -4.489   2.403
  141    HD1  TYR  23           1HD      TYR  23 -20.194  -6.557   1.105
  142    HD2  TYR  23           2HD      TYR  23 -20.366  -3.127   3.603
  143    HE1  TYR  23           1HE      TYR  23 -22.467  -6.101   0.323
  144    HE2  TYR  23           2HE      TYR  23 -22.642  -2.663   2.812
  145    HH   TYR  23           HH       TYR  23 -24.372  -4.929   0.782
  146    H    GLU  24           H        GLU  24 -15.973  -6.054   2.012
  147    HA   GLU  24           HA       GLU  24 -14.572  -7.074   4.402
  148   1HB   GLU  24          2HB       GLU  24 -13.683  -6.723   1.571
  149   2HB   GLU  24          1HB       GLU  24 -12.709  -7.380   2.857
  150   1HG   GLU  24          2HG       GLU  24 -14.518  -9.106   3.223
  151   2HG   GLU  24          1HG       GLU  24 -15.358  -8.423   1.833
  152    H    CYS  25           H        CYS  25 -12.695  -6.354   4.955
  153    HA   CYS  25           HA       CYS  25 -12.102  -3.515   4.925
  154   1HB   CYS  25          2HB       CYS  25 -13.108  -4.176   7.038
  155   2HB   CYS  25          1HB       CYS  25 -12.121  -5.601   7.126
  156    H    LEU  26           H        LEU  26 -10.775  -4.433   2.990
  157    HA   LEU  26           HA       LEU  26  -8.526  -6.145   3.612
  158   1HB   LEU  26          2HB       LEU  26  -8.647  -4.396   1.150
  159   2HB   LEU  26          1HB       LEU  26  -7.941  -5.943   1.396
  160    HG   LEU  26           HG       LEU  26 -10.922  -5.562   1.364
  161   1HD1  LEU  26          1HD1      LEU  26  -9.070  -6.778  -0.726
  162   2HD1  LEU  26          2HD1      LEU  26  -9.974  -5.279  -0.891
  163   3HD1  LEU  26          3HD1      LEU  26 -10.812  -6.809  -0.795
  164   1HD2  LEU  26          1HD2      LEU  26 -10.268  -7.451   2.806
  165   2HD2  LEU  26          2HD2      LEU  26  -9.286  -8.117   1.507
  166   3HD2  LEU  26          3HD2      LEU  26 -11.030  -8.011   1.329
  167    H    CYS  27           H        CYS  27  -6.408  -5.246   2.565
  168    HA   CYS  27           HA       CYS  27  -5.438  -3.194   4.369
  169   1HB   CYS  27          2HB       CYS  27  -4.040  -4.902   2.320
  170   2HB   CYS  27          1HB       CYS  27  -3.247  -3.881   3.494
  171    HA   PRO  28           HA       PRO  28  -5.721   0.100   1.345
  172   1HB   PRO  28          2HB       PRO  28  -4.156   1.919   2.716
  173   2HB   PRO  28          1HB       PRO  28  -5.830   1.619   3.039
  174   1HG   PRO  28          2HG       PRO  28  -3.461   0.676   4.521
  175   2HG   PRO  28          1HG       PRO  28  -5.065   1.108   5.114
  176   1HD   PRO  28          2HD       PRO  28  -4.166  -1.458   4.796
  177   2HD   PRO  28          1HD       PRO  28  -5.874  -0.989   4.811
  178    H    ASP  29           H        ASP  29  -2.628  -0.058   2.947
  179    HA   ASP  29           HA       ASP  29  -1.119   0.590   0.550
  180   1HB   ASP  29          2HB       ASP  29   0.814   0.437   2.085
  181   2HB   ASP  29          1HB       ASP  29  -0.452   1.422   2.771
  182    H    GLY  30           H        GLY  30   1.010  -0.752   0.420
  183   1HA   GLY  30          2HA       GLY  30   0.550  -3.052  -1.021
  184   2HA   GLY  30          1HA       GLY  30   2.097  -2.618  -0.347
  185    H    PHE  31           H        PHE  31   0.445  -3.040   2.414
  186    HA   PHE  31           HA       PHE  31   1.605  -5.599   2.917
  187   1HB   PHE  31          2HB       PHE  31  -0.433  -3.952   4.395
  188   2HB   PHE  31          1HB       PHE  31   0.184  -5.447   5.028
  189    HD1  PHE  31           1HD      PHE  31   2.693  -3.679   3.093
  190    HD2  PHE  31           2HD      PHE  31   0.844  -3.941   6.931
  191    HE1  PHE  31           1HE      PHE  31   4.560  -2.464   4.060
  192    HE2  PHE  31           2HE      PHE  31   2.749  -2.710   7.905
  193    HZ   PHE  31           HZ       PHE  31   4.606  -1.985   6.442
  194    H    GLN  32           H        GLN  32   0.399  -7.366   3.939
  195    HA   GLN  32           HA       GLN  32  -1.909  -8.140   2.203
  196   1HB   GLN  32          2HB       GLN  32   0.204  -9.768   3.618
  197   2HB   GLN  32          1HB       GLN  32  -1.145 -10.444   2.761
  198   1HG   GLN  32          2HG       GLN  32  -0.309  -9.320   0.663
  199   2HG   GLN  32          1HG       GLN  32   1.028  -8.638   1.584
  200   1HE2  GLN  32          1HE2      GLN  32  -0.350 -11.690   0.394
  201   2HE2  GLN  32          2HE2      GLN  32   1.074 -12.598   0.568
  202    H    LEU  33           H        LEU  33  -3.843  -8.643   3.141
  203    HA   LEU  33           HA       LEU  33  -4.113  -8.170   6.018
  204   1HB   LEU  33          2HB       LEU  33  -5.933  -7.663   4.176
  205   2HB   LEU  33          1HB       LEU  33  -6.238  -9.383   4.180
  206    HG   LEU  33           HG       LEU  33  -6.578  -9.190   6.744
  207   1HD1  LEU  33          1HD1      LEU  33  -5.417  -6.997   7.038
  208   2HD1  LEU  33          2HD1      LEU  33  -7.074  -6.908   7.595
  209   3HD1  LEU  33          3HD1      LEU  33  -6.639  -6.229   6.040
  210   1HD2  LEU  33          1HD2      LEU  33  -8.863  -8.297   6.585
  211   2HD2  LEU  33          2HD2      LEU  33  -8.520  -9.368   5.238
  212   3HD2  LEU  33          3HD2      LEU  33  -8.507  -7.625   5.010
  213    H    VAL  34           H        VAL  34  -3.792  -9.718   7.503
  214    HA   VAL  34           HA       VAL  34  -4.353 -12.554   6.835
  215    HB   VAL  34           HB       VAL  34  -2.008 -12.205   6.264
  216   1HG1  VAL  34          1HG1      VAL  34  -0.361 -11.574   7.987
  217   2HG1  VAL  34          2HG1      VAL  34  -1.647 -11.321   9.149
  218   3HG1  VAL  34          3HG1      VAL  34  -1.533 -10.286   7.729
  219   1HG2  VAL  34          1HG2      VAL  34  -2.326 -13.804   8.838
  220   2HG2  VAL  34          2HG2      VAL  34  -0.998 -13.960   7.701
  221   3HG2  VAL  34          3HG2      VAL  34  -2.626 -14.395   7.212
  222    H    ALA  35           H        ALA  35  -3.368 -10.270   9.317
  223    HA   ALA  35           HA       ALA  35  -4.312 -11.937  11.447
  224   1HB   ALA  35          1HB       ALA  35  -2.273 -10.613  11.724
  225   2HB   ALA  35          2HB       ALA  35  -3.468 -10.033  12.872
  226   3HB   ALA  35          3HB       ALA  35  -3.151  -9.136  11.392
  227    H    GLN  36           H        GLN  36  -6.393 -11.733  10.056
  228    HA   GLN  36           HA       GLN  36  -8.646 -11.266  10.000
  229   1HB   GLN  36          2HB       GLN  36  -8.126  -9.768  12.613
  230   2HB   GLN  36          1HB       GLN  36  -9.689 -10.248  12.002
  231   1HG   GLN  36          2HG       GLN  36  -9.056 -12.633  12.114
  232   2HG   GLN  36          1HG       GLN  36  -7.452 -12.195  12.691
  233   1HE2  GLN  36          1HE2      GLN  36  -7.210 -11.821  14.908
  234   2HE2  GLN  36          2HE2      GLN  36  -8.497 -11.771  16.014
  235    H    ARG  37           H        ARG  37  -7.656  -8.229  11.536
  236    HA   ARG  37           HA       ARG  37  -8.657  -6.714   9.159
  237   1HB   ARG  37          2HB       ARG  37  -8.721  -5.982  12.081
  238   2HB   ARG  37          1HB       ARG  37  -8.947  -4.803  10.830
  239   1HG   ARG  37          2HG       ARG  37 -11.042  -5.439  11.835
  240   2HG   ARG  37          1HG       ARG  37 -11.007  -5.775  10.125
  241   1HD   ARG  37          2HD       ARG  37 -10.389  -7.926  12.112
  242   2HD   ARG  37          1HD       ARG  37 -12.062  -7.506  11.691
  243    HE   ARG  37           HE       ARG  37 -10.415  -7.955   9.356
  244   1HH1  ARG  37          2HH1      ARG  37 -12.238  -9.502  11.870
  245   2HH1  ARG  37          1HH1      ARG  37 -12.552 -10.918  10.928
  246   1HH2  ARG  37          1HH2      ARG  37 -10.804  -9.748   8.146
  247   2HH2  ARG  37          2HH2      ARG  37 -11.730 -11.063   8.790
  248    H    ARG  38           H        ARG  38  -5.963  -7.523  10.988
  249    HA   ARG  38           HA       ARG  38  -4.476  -5.020  10.498
  250   1HB   ARG  38          2HB       ARG  38  -3.912  -7.469  12.202
  251   2HB   ARG  38          1HB       ARG  38  -2.753  -6.208  11.933
  252   1HG   ARG  38          2HG       ARG  38  -3.783  -5.818  14.051
  253   2HG   ARG  38          1HG       ARG  38  -4.275  -4.557  12.947
  254   1HD   ARG  38          2HD       ARG  38  -6.134  -5.308  14.291
  255   2HD   ARG  38          1HD       ARG  38  -6.445  -5.713  12.607
  256    HE   ARG  38           HE       ARG  38  -5.164  -7.946  13.757
  257   1HH1  ARG  38          2HH1      ARG  38  -8.097  -6.148  14.185
  258   2HH1  ARG  38          1HH1      ARG  38  -8.975  -7.512  14.790
  259   1HH2  ARG  38          1HH2      ARG  38  -6.255  -9.681  14.520
  260   2HH2  ARG  38          2HH2      ARG  38  -7.917  -9.542  14.985
  261    H    CYS  39           H        CYS  39  -2.956  -4.868   9.083
  262    HA   CYS  39           HA       CYS  39  -2.427  -7.083   7.210
  263   1HB   CYS  39          2HB       CYS  39  -1.822  -4.123   7.040
  264   2HB   CYS  39          1HB       CYS  39  -1.717  -5.294   5.737
  265    H    GLU  40           H        GLU  40  -0.322  -7.560   6.409
  266    HA   GLU  40           HA       GLU  40   1.861  -7.175   8.363
  267   1HB   GLU  40          2HB       GLU  40   2.680  -9.273   7.554
  268   2HB   GLU  40          1HB       GLU  40   1.000  -9.496   7.994
  269   1HG   GLU  40          2HG       GLU  40   0.441  -9.028   5.528
  270   2HG   GLU  40          1HG       GLU  40   2.144  -9.053   5.195
  271    H    ASP  41           H        ASP  41   3.825  -6.661   7.707
  272    HA   ASP  41           HA       ASP  41   4.147  -5.144   5.254
  273   1HB   ASP  41          2HB       ASP  41   5.158  -4.409   7.435
  274   2HB   ASP  41          1HB       ASP  41   6.114  -5.871   7.492
  275    H    ILE  42           H        ILE  42   6.454  -5.468   4.297
  276    HA   ILE  42           HA       ILE  42   7.186  -8.150   3.673
  277    HB   ILE  42           HB       ILE  42   5.466  -7.687   1.960
  278   1HG1  ILE  42          2HG1      ILE  42   6.760  -7.618  -0.158
  279   2HG1  ILE  42          1HG1      ILE  42   8.192  -7.176   0.752
  280   1HG2  ILE  42          1HG2      ILE  42   5.448  -5.676   0.529
  281   2HG2  ILE  42          2HG2      ILE  42   6.783  -4.988   1.420
  282   3HG2  ILE  42          3HG2      ILE  42   5.246  -5.256   2.217
  283   1HD1  ILE  42          1HD1      ILE  42   8.159  -9.616   0.292
  284   2HD1  ILE  42          2HD1      ILE  42   6.613  -9.762   1.113
  285   3HD1  ILE  42          3HD1      ILE  42   8.054  -9.328   2.019
  286    H    ASP  43           H        ASP  43   9.052  -7.727   4.712
  287    HA   ASP  43           HA       ASP  43  10.493  -5.226   4.399
  288   1HB   ASP  43          2HB       ASP  43  10.562  -6.600   6.491
  289   2HB   ASP  43          1HB       ASP  43  11.445  -7.847   5.632
  290    H    GLU  44           H        GLU  44  11.169  -4.835   2.500
  291    HA   GLU  44           HA       GLU  44  12.446  -6.757   0.724
  292   1HB   GLU  44          2HB       GLU  44  12.553  -4.814  -0.845
  293   2HB   GLU  44          1HB       GLU  44  10.939  -5.138  -0.270
  294   1HG   GLU  44          2HG       GLU  44  12.746  -2.954   0.865
  295   2HG   GLU  44          1HG       GLU  44  11.526  -2.713  -0.359
  296    H    CYS  45           H        CYS  45  13.605  -4.701   3.246
  297    HA   CYS  45           HA       CYS  45  16.025  -3.860   2.111
  298   1HB   CYS  45          2HB       CYS  45  15.284  -4.471   4.970
  299   2HB   CYS  45          1HB       CYS  45  16.830  -3.907   4.521
  300    H    GLN  46           H        GLN  46  15.390  -6.437   4.337
  301    HA   GLN  46           HA       GLN  46  17.742  -7.783   4.591
  302   1HB   GLN  46          2HB       GLN  46  14.975  -9.002   4.226
  303   2HB   GLN  46          1HB       GLN  46  16.336  -9.816   4.954
  304   1HG   GLN  46          2HG       GLN  46  15.047  -7.258   6.017
  305   2HG   GLN  46          1HG       GLN  46  14.821  -8.859   6.697
  306   1HE2  GLN  46          1HE2      GLN  46  16.920  -9.964   7.454
  307   2HE2  GLN  46          2HE2      GLN  46  18.116  -8.971   8.137
  308    H    ASP  47           H        ASP  47  15.451  -8.157   1.978
  309    HA   ASP  47           HA       ASP  47  17.006 -10.074   0.555
  310   1HB   ASP  47          2HB       ASP  47  14.539 -10.072   0.379
  311   2HB   ASP  47          1HB       ASP  47  14.566  -8.440  -0.264
  312    HA   PRO  48           HA       PRO  48  19.647  -7.054  -1.426
  313   1HB   PRO  48          2HB       PRO  48  20.227  -8.434  -3.776
  314   2HB   PRO  48          1HB       PRO  48  21.005  -8.749  -2.246
  315   1HG   PRO  48          2HG       PRO  48  18.692 -10.187  -3.485
  316   2HG   PRO  48          1HG       PRO  48  20.120 -10.851  -2.667
  317   1HD   PRO  48          2HD       PRO  48  17.780 -10.693  -1.422
  318   2HD   PRO  48          1HD       PRO  48  19.290 -10.373  -0.554
  319    H    ASP  49           H        ASP  49  18.158  -5.487  -1.711
  320    HA   ASP  49           HA       ASP  49  17.066  -5.138  -4.443
  321   1HB   ASP  49          2HB       ASP  49  15.211  -6.036  -3.083
  322   2HB   ASP  49          1HB       ASP  49  15.520  -4.842  -1.838
  323    H    THR  50           H        THR  50  17.623  -3.693  -1.286
  324    HA   THR  50           HA       THR  50  17.725  -0.976  -2.341
  325    HB   THR  50           HB       THR  50  18.009  -0.491   0.174
  326    HG1  THR  50           1HG      THR  50  17.867  -3.320   0.268
  327   1HG2  THR  50          1HG2      THR  50  15.883  -2.641  -0.411
  328   2HG2  THR  50          2HG2      THR  50  15.670  -0.942  -0.793
  329   3HG2  THR  50          3HG2      THR  50  15.816  -1.457   0.877
  330    H    CYS  51           H        CYS  51  19.951  -1.385   0.118
  331    HA   CYS  51           HA       CYS  51  22.217  -0.933  -1.718
  332   1HB   CYS  51          2HB       CYS  51  21.752  -0.606   1.223
  333   2HB   CYS  51          1HB       CYS  51  23.364  -0.554   0.585
  334    H    SER  52           H        SER  52  24.333  -1.967  -1.171
  335    HA   SER  52           HA       SER  52  24.075  -4.807  -1.277
  336   1HB   SER  52          2HB       SER  52  26.522  -3.030  -0.831
  337   2HB   SER  52          1HB       SER  52  26.564  -4.729  -1.307
  338    HG   SER  52           HG       SER  52  25.297  -4.191  -3.113
  339    H    GLN  53           H        GLN  53  24.034  -2.693   1.348
  340    HA   GLN  53           HA       GLN  53  24.496  -4.959   3.208
  341   1HB   GLN  53          2HB       GLN  53  25.765  -2.229   3.392
  342   2HB   GLN  53          1HB       GLN  53  25.753  -3.371   4.714
  343   1HG   GLN  53          2HG       GLN  53  26.997  -3.829   1.968
  344   2HG   GLN  53          1HG       GLN  53  27.875  -3.440   3.441
  345   1HE2  GLN  53          1HE2      GLN  53  26.741  -5.104   5.334
  346   2HE2  GLN  53          2HE2      GLN  53  26.959  -6.729   4.892
  347    H    LEU  54           H        LEU  54  24.145  -1.643   4.339
  348    HA   LEU  54           HA       LEU  54  21.949  -2.464   6.008
  349   1HB   LEU  54          2HB       LEU  54  23.929  -1.279   6.774
  350   2HB   LEU  54          1HB       LEU  54  23.598   0.022   5.657
  351    HG   LEU  54           HG       LEU  54  21.490  -0.623   7.756
  352   1HD1  LEU  54          1HD1      LEU  54  22.640   1.012   9.241
  353   2HD1  LEU  54          2HD1      LEU  54  23.955   1.193   8.087
  354   3HD1  LEU  54          3HD1      LEU  54  23.729  -0.330   8.932
  355   1HD2  LEU  54          1HD2      LEU  54  21.163   1.069   5.835
  356   2HD2  LEU  54          2HD2      LEU  54  22.601   1.868   6.428
  357   3HD2  LEU  54          3HD2      LEU  54  21.143   1.822   7.415
  358    H    CYS  55           H        CYS  55  20.138  -1.330   6.323
  359    HA   CYS  55           HA       CYS  55  19.001   0.506   4.363
  360   1HB   CYS  55          2HB       CYS  55  18.818  -1.717   3.265
  361   2HB   CYS  55          1HB       CYS  55  18.053  -2.350   4.668
  362    H    VAL  56           H        VAL  56  16.526   0.705   5.007
  363    HA   VAL  56           HA       VAL  56  16.118   0.384   7.936
  364    HB   VAL  56           HB       VAL  56  15.742   3.014   6.393
  365   1HG1  VAL  56          1HG1      VAL  56  15.188   3.972   8.620
  366   2HG1  VAL  56          2HG1      VAL  56  15.358   2.385   9.354
  367   3HG1  VAL  56          3HG1      VAL  56  14.064   2.691   8.208
  368   1HG2  VAL  56          1HG2      VAL  56  17.568   3.901   7.823
  369   2HG2  VAL  56          2HG2      VAL  56  18.147   2.571   6.842
  370   3HG2  VAL  56          3HG2      VAL  56  17.790   2.316   8.543
  371    H    ASN  57           H        ASN  57  14.527  -1.077   7.657
  372    HA   ASN  57           HA       ASN  57  12.419  -0.716   5.654
  373   1HB   ASN  57          2HB       ASN  57  13.338  -2.986   6.163
  374   2HB   ASN  57          1HB       ASN  57  12.735  -2.817   7.803
  375   1HD2  ASN  57          1HD2      ASN  57  11.116  -4.390   7.866
  376   2HD2  ASN  57          2HD2      ASN  57   9.782  -4.413   6.816
  377    H    LEU  58           H        LEU  58  10.318  -0.830   6.087
  378    HA   LEU  58           HA       LEU  58   8.799  -0.495   8.456
  379   1HB   LEU  58          2HB       LEU  58   8.162   1.876   8.353
  380   2HB   LEU  58          1HB       LEU  58   9.875   1.773   8.603
  381    HG   LEU  58           HG       LEU  58   8.656   2.272   5.855
  382   1HD1  LEU  58          1HD1      LEU  58   8.134   4.146   7.467
  383   2HD1  LEU  58          2HD1      LEU  58   9.294   4.655   6.255
  384   3HD1  LEU  58          3HD1      LEU  58   9.838   4.256   7.877
  385   1HD2  LEU  58          1HD2      LEU  58  10.934   3.071   5.371
  386   2HD2  LEU  58          2HD2      LEU  58  10.956   1.392   5.845
  387   3HD2  LEU  58          3HD2      LEU  58  11.446   2.638   6.987
  388    H    GLU  59           H        GLU  59   6.858   1.163   7.311
  389    HA   GLU  59           HA       GLU  59   5.669  -0.776   5.511
  390   1HB   GLU  59          2HB       GLU  59   4.234   0.441   7.201
  391   2HB   GLU  59          1HB       GLU  59   4.601   1.964   6.413
  392   1HG   GLU  59          2HG       GLU  59   3.376   1.274   4.378
  393   2HG   GLU  59          1HG       GLU  59   3.152  -0.342   4.986
  394    H    GLY  60           H        GLY  60   6.863  -0.975   3.979
  395   1HA   GLY  60          2HA       GLY  60   7.546  -0.844   1.850
  396   2HA   GLY  60          1HA       GLY  60   6.074   0.080   1.587
  397    H    GLY  61           H        GLY  61   7.629   1.826   3.765
  398   1HA   GLY  61          2HA       GLY  61   8.675   3.782   1.827
  399   2HA   GLY  61          1HA       GLY  61   8.472   4.027   3.561
  400    H    TYR  62           H        TYR  62  10.022   1.203   2.843
  401    HA   TYR  62           HA       TYR  62  12.324   1.501   4.248
  402   1HB   TYR  62          2HB       TYR  62  13.304  -0.329   2.949
  403   2HB   TYR  62          1HB       TYR  62  11.582  -0.580   3.185
  404    HD1  TYR  62           1HD      TYR  62  14.200   0.193   0.765
  405    HD2  TYR  62           2HD      TYR  62  10.000  -0.241   1.262
  406    HE1  TYR  62           1HE      TYR  62  13.932   0.127  -1.660
  407    HE2  TYR  62           2HE      TYR  62   9.726  -0.304  -1.169
  408    HH   TYR  62           HH       TYR  62  12.126  -0.911  -3.275
  409    H    LYS  63           H        LYS  63  14.471   1.913   3.944
  410    HA   LYS  63           HA       LYS  63  15.217   3.502   1.525
  411   1HB   LYS  63          2HB       LYS  63  14.715   5.053   3.325
  412   2HB   LYS  63          1HB       LYS  63  15.842   4.219   4.396
  413   1HG   LYS  63          2HG       LYS  63  17.716   4.889   2.939
  414   2HG   LYS  63          1HG       LYS  63  16.602   5.676   1.827
  415   1HD   LYS  63          2HD       LYS  63  15.931   7.215   3.694
  416   2HD   LYS  63          1HD       LYS  63  17.060   6.395   4.762
  417   1HE   LYS  63          2HE       LYS  63  18.946   7.039   3.263
  418   2HE   LYS  63          1HE       LYS  63  17.816   7.867   2.200
  419   1HZ   LYS  63          1HZ       LYS  63  18.290   8.513   5.050
  420   2HZ   LYS  63          2HZ       LYS  63  17.213   9.319   4.012
  421   3HZ   LYS  63          3HZ       LYS  63  18.885   9.386   3.719
  422    H    CYS  64           H        CYS  64  17.221   3.671   1.131
  423    HA   CYS  64           HA       CYS  64  19.043   1.406   1.878
  424   1HB   CYS  64          2HB       CYS  64  18.230   1.551  -0.302
  425   2HB   CYS  64          1HB       CYS  64  18.875   3.168  -0.452
  426    H    GLN  65           H        GLN  65  20.910   1.727   2.282
  427    HA   GLN  65           HA       GLN  65  22.407   4.276   2.311
  428   1HB   GLN  65          2HB       GLN  65  21.946   3.039   5.030
  429   2HB   GLN  65          1HB       GLN  65  22.749   4.526   4.686
  430   1HG   GLN  65          2HG       GLN  65  20.681   5.615   3.943
  431   2HG   GLN  65          1HG       GLN  65  19.768   4.151   4.299
  432   1HE2  GLN  65          1HE2      GLN  65  20.961   7.049   5.658
  433   2HE2  GLN  65          2HE2      GLN  65  20.627   6.685   7.283
  434    H    CYS  66           H        CYS  66  24.408   3.867   3.960
  435    HA   CYS  66           HA       CYS  66  25.678   1.369   2.980
  436   1HB   CYS  66          2HB       CYS  66  27.038   3.871   3.948
  437   2HB   CYS  66          1HB       CYS  66  27.670   2.562   3.100
  438    H    GLU  67           H        GLU  67  27.205   0.344   4.112
  439    HA   GLU  67           HA       GLU  67  26.597  -0.044   6.971
  440   1HB   GLU  67          2HB       GLU  67  26.977  -1.903   5.200
  441   2HB   GLU  67          1HB       GLU  67  28.661  -1.509   5.253
  442   1HG   GLU  67          2HG       GLU  67  27.012  -2.497   7.623
  443   2HG   GLU  67          1HG       GLU  67  28.175  -3.440   6.725
  444    H    GLU  68           H        GLU  68  27.430   2.193   7.353
  445    HA   GLU  68           HA       GLU  68  29.021   3.700   8.108
  446   1HB   GLU  68          2HB       GLU  68  30.412   1.093   8.865
  447   2HB   GLU  68          1HB       GLU  68  30.844   2.669   9.495
  448   1HG   GLU  68          2HG       GLU  68  28.544   2.914  10.437
  449   2HG   GLU  68          1HG       GLU  68  28.106   1.341   9.789
  450    H    GLY  69           H        GLY  69  31.402   1.285   7.233
  451   1HA   GLY  69          2HA       GLY  69  33.276   3.031   6.129
  452   2HA   GLY  69          1HA       GLY  69  33.269   1.291   5.893
  453    H    PHE  70           H        PHE  70  30.552   1.404   4.647
  454    HA   PHE  70           HA       PHE  70  31.443   1.766   1.983
  455   1HB   PHE  70          2HB       PHE  70  28.804   1.090   3.240
  456   2HB   PHE  70          1HB       PHE  70  28.918   1.290   1.502
  457    HD1  PHE  70           1HD      PHE  70  31.544  -0.363   3.586
  458    HD2  PHE  70           2HD      PHE  70  28.213  -0.933   0.995
  459    HE1  PHE  70           1HE      PHE  70  32.071  -2.742   3.445
  460    HE2  PHE  70           2HE      PHE  70  28.752  -3.313   0.847
  461    HZ   PHE  70           HZ       PHE  70  30.681  -4.230   2.064
  462    H    GLN  71           H        GLN  71  30.394   3.165   0.412
  463    HA   GLN  71           HA       GLN  71  29.214   5.612   1.496
  464   1HB   GLN  71          2HB       GLN  71  31.624   5.222  -0.236
  465   2HB   GLN  71          1HB       GLN  71  30.661   6.624  -0.533
  466   1HG   GLN  71          2HG       GLN  71  31.822   5.867   2.199
  467   2HG   GLN  71          1HG       GLN  71  32.494   7.098   1.131
  468   1HE2  GLN  71          1HE2      GLN  71  31.566   7.825   3.702
  469   2HE2  GLN  71          2HE2      GLN  71  30.165   8.772   3.546
  470    H    LEU  72           H        LEU  72  28.538   7.028  -0.179
  471    HA   LEU  72           HA       LEU  72  26.525   5.585  -1.762
  472   1HB   LEU  72          2HB       LEU  72  25.993   7.731  -0.584
  473   2HB   LEU  72          1HB       LEU  72  27.096   8.574  -1.652
  474    HG   LEU  72           HG       LEU  72  25.729   7.691  -3.618
  475   1HD1  LEU  72          1HD1      LEU  72  23.436   6.861  -3.162
  476   2HD1  LEU  72          2HD1      LEU  72  23.774   6.854  -1.443
  477   3HD1  LEU  72          3HD1      LEU  72  24.635   5.764  -2.516
  478   1HD2  LEU  72          1HD2      LEU  72  25.391   9.995  -2.741
  479   2HD2  LEU  72          2HD2      LEU  72  24.227   9.386  -1.574
  480   3HD2  LEU  72          3HD2      LEU  72  23.867   9.318  -3.294
  481    H    ASP  73           H        ASP  73  27.424   4.566  -3.427
  482    HA   ASP  73           HA       ASP  73  29.546   5.640  -5.087
  483   1HB   ASP  73          2HB       ASP  73  29.070   3.162  -4.839
  484   2HB   ASP  73          1HB       ASP  73  27.581   3.391  -5.740
  485    HA   PRO  74           HA       PRO  74  26.660   8.217  -7.378
  486   1HB   PRO  74          2HB       PRO  74  28.308   9.269  -9.203
  487   2HB   PRO  74          1HB       PRO  74  28.478   9.665  -7.509
  488   1HG   PRO  74          2HG       PRO  74  30.011   7.634  -9.089
  489   2HG   PRO  74          1HG       PRO  74  30.612   8.884  -7.984
  490   1HD   PRO  74          2HD       PRO  74  30.279   6.299  -7.223
  491   2HD   PRO  74          1HD       PRO  74  30.094   7.663  -6.100
  492    H    HIS  75           H        HIS  75  25.823   8.497  -9.479
  493    HA   HIS  75           HA       HIS  75  24.824   7.768 -11.448
  494   1HB   HIS  75          2HB       HIS  75  27.366   6.098 -11.730
  495   2HB   HIS  75          1HB       HIS  75  26.226   6.467 -13.015
  496    HD1  HIS  75           1HD      HIS  75  28.810   8.107 -10.931
  497    HD2  HIS  75           2HD      HIS  75  26.363   9.114 -14.040
  498    HE1  HIS  75           1HE      HIS  75  29.598  10.296 -11.754
  499    H    THR  76           H        THR  76  25.180   5.916  -8.895
  500    HA   THR  76           HA       THR  76  23.387   3.760  -9.886
  501    HB   THR  76           HB       THR  76  24.702   2.087  -8.499
  502    HG1  THR  76           1HG      THR  76  26.455   4.298  -8.294
  503   1HG2  THR  76          1HG2      THR  76  26.561   3.633 -10.415
  504   2HG2  THR  76          2HG2      THR  76  25.414   2.424 -10.972
  505   3HG2  THR  76          3HG2      THR  76  26.748   1.959  -9.928
  506    H    LYS  77           H        LYS  77  24.821   5.422  -7.281
  507    HA   LYS  77           HA       LYS  77  24.082   6.185  -5.204
  508   1HB   LYS  77          2HB       LYS  77  21.465   5.331  -6.191
  509   2HB   LYS  77          1HB       LYS  77  21.692   6.293  -4.757
  510   1HG   LYS  77          2HG       LYS  77  22.828   8.053  -6.178
  511   2HG   LYS  77          1HG       LYS  77  22.502   7.093  -7.605
  512   1HD   LYS  77          2HD       LYS  77  20.820   8.856  -7.419
  513   2HD   LYS  77          1HD       LYS  77  20.053   7.298  -7.192
  514   1HE   LYS  77          2HE       LYS  77  20.076   7.638  -4.715
  515   2HE   LYS  77          1HE       LYS  77  20.880   9.187  -4.940
  516   1HZ   LYS  77          1HZ       LYS  77  18.163   8.398  -5.783
  517   2HZ   LYS  77          2HZ       LYS  77  18.928   9.802  -6.356
  518   3HZ   LYS  77          3HZ       LYS  77  18.612   9.623  -4.696
  519    H    ALA  78           H        ALA  78  24.498   3.203  -6.029
  520    HA   ALA  78           HA       ALA  78  23.205   1.786  -3.776
  521   1HB   ALA  78          1HB       ALA  78  23.320   0.696  -6.016
  522   2HB   ALA  78          2HB       ALA  78  24.218  -0.228  -4.819
  523   3HB   ALA  78          3HB       ALA  78  25.075   0.790  -5.967
  524    H    CYS  79           H        CYS  79  24.294   1.206  -1.969
  525    HA   CYS  79           HA       CYS  79  26.879   2.440  -1.502
  526   1HB   CYS  79          2HB       CYS  79  25.104   0.778   0.230
  527   2HB   CYS  79          1HB       CYS  79  26.647   1.362   0.771
  528    H    LYS  80           H        LYS  80  28.736   1.646  -0.995
  529    HA   LYS  80           HA       LYS  80  29.321  -1.205  -0.823
  530   1HB   LYS  80          2HB       LYS  80  30.891  -1.222  -2.490
  531   2HB   LYS  80          1HB       LYS  80  29.294  -1.016  -3.220
  532   1HG   LYS  80          2HG       LYS  80  29.806   1.548  -3.267
  533   2HG   LYS  80          1HG       LYS  80  31.454   1.157  -2.836
  534   1HD   LYS  80          2HD       LYS  80  31.366   1.508  -5.216
  535   2HD   LYS  80          1HD       LYS  80  31.674  -0.188  -4.919
  536   1HE   LYS  80          2HE       LYS  80  29.305  -0.744  -5.347
  537   2HE   LYS  80          1HE       LYS  80  28.912   0.958  -5.541
  538   1HZ   LYS  80          1HZ       LYS  80  30.115   1.088  -7.494
  539   2HZ   LYS  80          2HZ       LYS  80  29.321  -0.409  -7.606
  540   3HZ   LYS  80          3HZ       LYS  80  30.969  -0.350  -7.198
  541    H    ALA  81           H        ALA  81  31.622  -1.535  -0.244
  542    HA   ALA  81           HA       ALA  81  32.708   0.118   1.700
  543   1HB   ALA  81          1HB       ALA  81  33.506  -2.169   1.250
  544   2HB   ALA  81          2HB       ALA  81  34.857  -1.049   1.290
  545   3HB   ALA  81          3HB       ALA  81  34.244  -1.633  -0.250
  546    H    VAL  82           H        VAL  82  33.473   2.127   1.720
  547    HA   VAL  82           HA       VAL  82  33.769   3.821  -0.430
  548    HB   VAL  82           HB       VAL  82  33.713   4.556   1.929
  549   1HG1  VAL  82          1HG1      VAL  82  36.590   3.532   2.082
  550   2HG1  VAL  82          2HG1      VAL  82  35.225   2.806   2.901
  551   3HG1  VAL  82          3HG1      VAL  82  35.754   4.417   3.347
  552   1HG2  VAL  82          1HG2      VAL  82  34.569   6.154   0.260
  553   2HG2  VAL  82          2HG2      VAL  82  36.201   5.547   0.479
  554   3HG2  VAL  82          3HG2      VAL  82  35.390   6.374   1.796
  Start of MODEL   26
    1    H    GLY   1           H        GLY   1 -23.663   0.708  -1.855
    2   1HA   GLY   1          2HA       GLY   1 -26.212   0.261  -2.810
    3   2HA   GLY   1          1HA       GLY   1 -25.498  -1.354  -2.780
    4    H    THR   2           H        THR   2 -24.596  -2.077  -0.736
    5    HA   THR   2           HA       THR   2 -26.361  -1.891   1.407
    6    HB   THR   2           HB       THR   2 -23.432  -2.772   1.449
    7    HG1  THR   2           1HG      THR   2 -24.679  -4.825   1.211
    8   1HG2  THR   2          1HG2      THR   2 -24.112  -4.269   3.292
    9   2HG2  THR   2          2HG2      THR   2 -25.759  -3.658   3.238
   10   3HG2  THR   2          3HG2      THR   2 -24.448  -2.629   3.791
   11    H    ASN   3           H        ASN   3 -25.871  -1.260   3.568
   12    HA   ASN   3           HA       ASN   3 -24.706   1.456   3.722
   13   1HB   ASN   3          2HB       ASN   3 -27.110   0.982   4.526
   14   2HB   ASN   3          1HB       ASN   3 -26.485  -0.214   5.637
   15   1HD2  ASN   3          1HD2      ASN   3 -26.467   3.317   5.010
   16   2HD2  ASN   3          2HD2      ASN   3 -26.169   3.748   6.626
   17    H    GLU   4           H        GLU   4 -22.997  -0.246   3.279
   18    HA   GLU   4           HA       GLU   4 -21.608  -1.112   5.729
   19   1HB   GLU   4          2HB       GLU   4 -21.821  -2.427   3.510
   20   2HB   GLU   4          1HB       GLU   4 -20.757  -1.231   2.799
   21   1HG   GLU   4          2HG       GLU   4 -19.053  -1.866   4.637
   22   2HG   GLU   4          1HG       GLU   4 -20.137  -3.162   5.042
   23    H    CYS   5           H        CYS   5 -21.185   0.919   2.872
   24    HA   CYS   5           HA       CYS   5 -19.054   2.436   4.069
   25   1HB   CYS   5          2HB       CYS   5 -20.280   2.326   1.357
   26   2HB   CYS   5          1HB       CYS   5 -19.443   3.781   1.777
   27    H    LEU   6           H        LEU   6 -22.383   2.830   3.250
   28    HA   LEU   6           HA       LEU   6 -22.775   5.564   3.418
   29   1HB   LEU   6          2HB       LEU   6 -24.521   3.322   4.383
   30   2HB   LEU   6          1HB       LEU   6 -25.088   4.935   4.095
   31    HG   LEU   6           HG       LEU   6 -23.886   3.020   2.006
   32   1HD1  LEU   6          1HD1      LEU   6 -26.218   2.442   2.674
   33   2HD1  LEU   6          2HD1      LEU   6 -26.165   3.033   1.023
   34   3HD1  LEU   6          3HD1      LEU   6 -26.724   4.083   2.318
   35   1HD2  LEU   6          1HD2      LEU   6 -23.356   5.406   1.429
   36   2HD2  LEU   6          2HD2      LEU   6 -25.059   5.809   1.571
   37   3HD2  LEU   6          3HD2      LEU   6 -24.510   4.724   0.305
   38    H    ASP   7           H        ASP   7 -22.562   3.145   5.888
   39    HA   ASP   7           HA       ASP   7 -22.649   5.149   8.124
   40   1HB   ASP   7          2HB       ASP   7 -24.251   3.141   8.049
   41   2HB   ASP   7          1HB       ASP   7 -22.826   2.116   8.135
   42    H    ASN   8           H        ASN   8 -21.173   3.481   9.828
   43    HA   ASN   8           HA       ASN   8 -18.560   4.252   9.382
   44   1HB   ASN   8          2HB       ASN   8 -19.582   1.884  10.761
   45   2HB   ASN   8          1HB       ASN   8 -17.961   2.486  11.021
   46   1HD2  ASN   8          1HD2      ASN   8 -17.746   4.592  12.124
   47   2HD2  ASN   8          2HD2      ASN   8 -19.023   5.218  13.052
   48    H    ASN   9           H        ASN   9 -17.215   3.619   7.671
   49    HA   ASN   9           HA       ASN   9 -17.839   1.802   5.702
   50   1HB   ASN   9          2HB       ASN   9 -15.150   2.812   6.624
   51   2HB   ASN   9          1HB       ASN   9 -15.390   1.929   5.132
   52   1HD2  ASN   9          1HD2      ASN   9 -17.194   4.618   6.766
   53   2HD2  ASN   9          2HD2      ASN   9 -17.293   5.582   5.382
   54    H    GLY  10           H        GLY  10 -18.604  -0.045   6.524
   55   1HA   GLY  10          2HA       GLY  10 -18.474  -2.342   6.844
   56   2HA   GLY  10          1HA       GLY  10 -16.726  -2.175   6.819
   57    H    GLY  11           H        GLY  11 -17.298   0.040   8.915
   58   1HA   GLY  11          2HA       GLY  11 -18.344  -0.355  11.272
   59   2HA   GLY  11          1HA       GLY  11 -17.150  -1.662  11.338
   60    H    CYS  12           H        CYS  12 -16.243   1.020   9.415
   61    HA   CYS  12           HA       CYS  12 -14.797   2.419  11.537
   62   1HB   CYS  12          2HB       CYS  12 -13.718   1.000   9.113
   63   2HB   CYS  12          1HB       CYS  12 -12.830   2.206   9.961
   64    H    SER  13           H        SER  13 -13.348   3.485   8.930
   65    HA   SER  13           HA       SER  13 -15.405   4.856   7.480
   66   1HB   SER  13          2HB       SER  13 -14.829   7.167   8.339
   67   2HB   SER  13          1HB       SER  13 -15.519   6.152   9.608
   68    HG   SER  13           HG       SER  13 -12.758   6.002   9.180
   69    H    HIS  14           H        HIS  14 -13.238   3.213   7.057
   70    HA   HIS  14           HA       HIS  14 -11.294   4.834   5.516
   71   1HB   HIS  14          2HB       HIS  14 -11.215   1.935   6.536
   72   2HB   HIS  14          1HB       HIS  14  -9.890   2.794   5.785
   73    HD1  HIS  14           1HD      HIS  14 -10.788   1.796   8.933
   74    HD2  HIS  14           2HD      HIS  14  -9.510   5.423   7.565
   75    HE1  HIS  14           1HE      HIS  14  -9.950   3.021  10.901
   76    H    VAL  15           H        VAL  15 -11.199   1.742   4.533
   77    HA   VAL  15           HA       VAL  15 -13.127   2.144   2.322
   78    HB   VAL  15           HB       VAL  15 -10.776   1.690   1.765
   79   1HG1  VAL  15          1HG1      VAL  15  -9.697  -0.455   2.248
   80   2HG1  VAL  15          2HG1      VAL  15 -11.037  -0.947   3.258
   81   3HG1  VAL  15          3HG1      VAL  15 -10.040   0.416   3.729
   82   1HG2  VAL  15          1HG2      VAL  15 -11.162  -0.353   0.287
   83   2HG2  VAL  15          2HG2      VAL  15 -12.560   0.710   0.247
   84   3HG2  VAL  15          3HG2      VAL  15 -12.589  -0.745   1.226
   85    H    CYS  16           H        CYS  16 -15.048   1.075   2.443
   86    HA   CYS  16           HA       CYS  16 -15.418  -0.943   4.552
   87   1HB   CYS  16          2HB       CYS  16 -17.696  -0.756   4.022
   88   2HB   CYS  16          1HB       CYS  16 -17.128   0.852   3.850
   89    H    ASN  17           H        ASN  17 -14.084  -2.706   3.838
   90    HA   ASN  17           HA       ASN  17 -14.021  -3.419   1.027
   91   1HB   ASN  17          2HB       ASN  17 -12.122  -3.743   2.489
   92   2HB   ASN  17          1HB       ASN  17 -13.074  -4.734   3.560
   93   1HD2  ASN  17          1HD2      ASN  17 -12.098  -6.782   3.255
   94   2HD2  ASN  17          2HD2      ASN  17 -11.877  -7.538   1.751
   95    H    ASP  18           H        ASP  18 -15.613  -4.195   0.157
   96    HA   ASP  18           HA       ASP  18 -17.920  -5.378   1.404
   97   1HB   ASP  18          2HB       ASP  18 -17.900  -3.941  -0.691
   98   2HB   ASP  18          1HB       ASP  18 -17.205  -5.297  -1.548
   99    H    LEU  19           H        LEU  19 -16.656  -7.056   2.474
  100    HA   LEU  19           HA       LEU  19 -15.691  -9.362   1.152
  101   1HB   LEU  19          2HB       LEU  19 -15.337  -8.395   3.570
  102   2HB   LEU  19          1HB       LEU  19 -16.894  -9.093   3.915
  103    HG   LEU  19           HG       LEU  19 -16.045 -11.357   3.342
  104   1HD1  LEU  19          1HD1      LEU  19 -14.236 -10.572   1.795
  105   2HD1  LEU  19          2HD1      LEU  19 -13.582 -11.585   3.069
  106   3HD1  LEU  19          3HD1      LEU  19 -13.416  -9.832   3.156
  107   1HD2  LEU  19          1HD2      LEU  19 -14.516  -9.789   5.453
  108   2HD2  LEU  19          2HD2      LEU  19 -14.730 -11.536   5.438
  109   3HD2  LEU  19          3HD2      LEU  19 -16.114 -10.481   5.619
  110    H    LYS  20           H        LYS  20 -16.875 -11.579   1.677
  111    HA   LYS  20           HA       LYS  20 -19.509 -11.403   0.473
  112   1HB   LYS  20          2HB       LYS  20 -19.493 -13.874   0.718
  113   2HB   LYS  20          1HB       LYS  20 -17.990 -13.296   0.028
  114   1HG   LYS  20          2HG       LYS  20 -16.891 -13.481   2.271
  115   2HG   LYS  20          1HG       LYS  20 -18.388 -14.116   2.939
  116   1HD   LYS  20          2HD       LYS  20 -18.342 -16.011   1.360
  117   2HD   LYS  20          1HD       LYS  20 -16.852 -15.408   0.658
  118   1HE   LYS  20          2HE       LYS  20 -17.203 -16.260   3.566
  119   2HE   LYS  20          1HE       LYS  20 -16.384 -17.189   2.318
  120   1HZ   LYS  20          1HZ       LYS  20 -14.652 -16.127   3.304
  121   2HZ   LYS  20          2HZ       LYS  20 -15.541 -14.719   3.643
  122   3HZ   LYS  20          3HZ       LYS  20 -15.008 -15.027   2.060
  123    H    ILE  21           H        ILE  21 -18.237 -12.198   3.690
  124    HA   ILE  21           HA       ILE  21 -20.722 -11.325   4.976
  125    HB   ILE  21           HB       ILE  21 -19.364 -14.030   5.378
  126   1HG1  ILE  21          2HG1      ILE  21 -22.173 -13.394   4.345
  127   2HG1  ILE  21          1HG1      ILE  21 -20.844 -14.003   3.377
  128   1HG2  ILE  21          1HG2      ILE  21 -21.132 -14.420   7.111
  129   2HG2  ILE  21          2HG2      ILE  21 -21.723 -12.783   6.842
  130   3HG2  ILE  21          3HG2      ILE  21 -20.120 -13.051   7.513
  131   1HD1  ILE  21          1HD1      ILE  21 -20.788 -16.091   4.688
  132   2HD1  ILE  21          2HD1      ILE  21 -22.363 -15.831   3.958
  133   3HD1  ILE  21          3HD1      ILE  21 -22.134 -15.531   5.668
  134    H    GLY  22           H        GLY  22 -20.108  -9.965   6.571
  135   1HA   GLY  22          2HA       GLY  22 -18.982  -9.118   8.395
  136   2HA   GLY  22          1HA       GLY  22 -17.924 -10.502   8.318
  137    H    TYR  23           H        TYR  23 -18.699  -7.807   6.308
  138    HA   TYR  23           HA       TYR  23 -16.593  -7.169   4.756
  139   1HB   TYR  23          2HB       TYR  23 -17.937  -5.033   6.398
  140   2HB   TYR  23          1HB       TYR  23 -17.319  -4.895   4.771
  141    HD1  TYR  23           1HD      TYR  23 -20.276  -5.076   6.407
  142    HD2  TYR  23           2HD      TYR  23 -18.306  -7.076   3.221
  143    HE1  TYR  23           1HE      TYR  23 -22.446  -5.785   5.511
  144    HE2  TYR  23           2HE      TYR  23 -20.477  -7.782   2.323
  145    HH   TYR  23           HH       TYR  23 -22.702  -8.068   2.909
  146    H    GLU  24           H        GLU  24 -14.780  -5.684   4.838
  147    HA   GLU  24           HA       GLU  24 -13.449  -5.765   7.491
  148   1HB   GLU  24          2HB       GLU  24 -12.013  -5.661   4.829
  149   2HB   GLU  24          1HB       GLU  24 -11.467  -6.095   6.408
  150   1HG   GLU  24          2HG       GLU  24 -13.099  -7.989   6.478
  151   2HG   GLU  24          1HG       GLU  24 -13.523  -7.583   4.823
  152    H    CYS  25           H        CYS  25 -11.992  -4.329   8.071
  153    HA   CYS  25           HA       CYS  25 -12.443  -1.557   7.356
  154   1HB   CYS  25          2HB       CYS  25 -12.942  -2.247   9.692
  155   2HB   CYS  25          1HB       CYS  25 -11.333  -2.920   9.809
  156    H    LEU  26           H        LEU  26 -10.912  -2.443   5.466
  157    HA   LEU  26           HA       LEU  26  -8.132  -2.810   6.195
  158   1HB   LEU  26          2HB       LEU  26  -9.097  -2.017   3.439
  159   2HB   LEU  26          1HB       LEU  26  -7.726  -2.942   3.900
  160    HG   LEU  26           HG       LEU  26 -10.522  -4.024   4.300
  161   1HD1  LEU  26          1HD1      LEU  26  -8.458  -4.718   2.166
  162   2HD1  LEU  26          2HD1      LEU  26  -9.974  -3.879   1.887
  163   3HD1  LEU  26          3HD1      LEU  26  -9.980  -5.547   2.421
  164   1HD2  LEU  26          1HD2      LEU  26  -9.321  -6.134   4.764
  165   2HD2  LEU  26          2HD2      LEU  26  -8.840  -4.904   5.909
  166   3HD2  LEU  26          3HD2      LEU  26  -7.780  -5.323   4.572
  167    H    CYS  27           H        CYS  27  -6.676  -1.345   4.669
  168    HA   CYS  27           HA       CYS  27  -6.713   1.239   5.935
  169   1HB   CYS  27          2HB       CYS  27  -4.844  -0.035   3.965
  170   2HB   CYS  27          1HB       CYS  27  -4.553   1.505   4.737
  171    HA   PRO  28           HA       PRO  28  -8.544   3.620   2.631
  172   1HB   PRO  28          2HB       PRO  28  -8.110   6.057   3.641
  173   2HB   PRO  28          1HB       PRO  28  -9.134   4.894   4.423
  174   1HG   PRO  28          2HG       PRO  28  -6.327   5.596   5.130
  175   2HG   PRO  28          1HG       PRO  28  -7.736   5.412   6.178
  176   1HD   PRO  28          2HD       PRO  28  -5.894   3.429   5.771
  177   2HD   PRO  28          1HD       PRO  28  -7.577   3.157   6.250
  178    H    ASP  29           H        ASP  29  -5.493   4.527   3.898
  179    HA   ASP  29           HA       ASP  29  -4.533   5.998   1.584
  180   1HB   ASP  29          2HB       ASP  29  -2.533   6.323   2.950
  181   2HB   ASP  29          1HB       ASP  29  -3.948   6.562   3.944
  182    H    GLY  30           H        GLY  30  -2.068   5.498   1.187
  183   1HA   GLY  30          2HA       GLY  30  -1.888   3.451  -0.651
  184   2HA   GLY  30          1HA       GLY  30  -0.509   4.266   0.043
  185    H    PHE  31           H        PHE  31  -0.538   3.408   2.650
  186    HA   PHE  31           HA       PHE  31   0.698   0.874   2.480
  187   1HB   PHE  31          2HB       PHE  31  -0.509   2.287   4.889
  188   2HB   PHE  31          1HB       PHE  31   0.720   1.053   4.919
  189    HD1  PHE  31           1HD      PHE  31   0.487   4.453   5.244
  190    HD2  PHE  31           2HD      PHE  31   2.565   1.604   2.867
  191    HE1  PHE  31           1HE      PHE  31   2.233   6.109   4.763
  192    HE2  PHE  31           2HE      PHE  31   4.312   3.266   2.393
  193    HZ   PHE  31           HZ       PHE  31   4.164   5.488   3.337
  194    H    GLN  32           H        GLN  32   0.220  -0.975   3.738
  195    HA   GLN  32           HA       GLN  32  -2.558  -1.947   3.221
  196   1HB   GLN  32          2HB       GLN  32  -0.654  -3.168   2.158
  197   2HB   GLN  32          1HB       GLN  32   0.043  -3.454   3.740
  198   1HG   GLN  32          2HG       GLN  32  -1.949  -4.813   4.391
  199   2HG   GLN  32          1HG       GLN  32  -2.675  -4.507   2.817
  200   1HE2  GLN  32          1HE2      GLN  32  -1.835  -5.676   1.001
  201   2HE2  GLN  32          2HE2      GLN  32  -0.681  -6.911   1.163
  202    H    LEU  33           H        LEU  33  -3.556  -3.309   4.846
  203    HA   LEU  33           HA       LEU  33  -3.078  -2.299   7.584
  204   1HB   LEU  33          2HB       LEU  33  -5.444  -2.742   6.479
  205   2HB   LEU  33          1HB       LEU  33  -5.105  -4.440   6.701
  206    HG   LEU  33           HG       LEU  33  -4.652  -3.846   9.192
  207   1HD1  LEU  33          1HD1      LEU  33  -6.124  -1.334   8.334
  208   2HD1  LEU  33          2HD1      LEU  33  -4.461  -1.394   8.892
  209   3HD1  LEU  33          3HD1      LEU  33  -5.774  -1.770   9.994
  210   1HD2  LEU  33          1HD2      LEU  33  -7.491  -3.540   8.160
  211   2HD2  LEU  33          2HD2      LEU  33  -7.034  -3.914   9.812
  212   3HD2  LEU  33          3HD2      LEU  33  -6.684  -5.060   8.527
  213    H    VAL  34           H        VAL  34  -0.879  -3.380   7.059
  214    HA   VAL  34           HA       VAL  34  -0.683  -6.258   7.338
  215    HB   VAL  34           HB       VAL  34   0.874  -5.030   5.928
  216   1HG1  VAL  34          1HG1      VAL  34   1.804  -3.659   8.475
  217   2HG1  VAL  34          2HG1      VAL  34   0.917  -2.900   7.158
  218   3HG1  VAL  34          3HG1      VAL  34   2.546  -3.505   6.890
  219   1HG2  VAL  34          1HG2      VAL  34   2.278  -6.196   8.374
  220   2HG2  VAL  34          2HG2      VAL  34   3.010  -5.936   6.802
  221   3HG2  VAL  34          3HG2      VAL  34   1.712  -7.104   6.980
  222    H    ALA  35           H        ALA  35  -0.006  -3.490   9.402
  223    HA   ALA  35           HA       ALA  35   0.827  -5.111  11.597
  224   1HB   ALA  35          1HB       ALA  35   0.342  -2.146  11.298
  225   2HB   ALA  35          2HB       ALA  35   1.879  -2.972  11.166
  226   3HB   ALA  35          3HB       ALA  35   1.073  -2.875  12.725
  227    H    GLN  36           H        GLN  36  -1.666  -5.871  10.895
  228    HA   GLN  36           HA       GLN  36  -3.690  -6.527  11.724
  229   1HB   GLN  36          2HB       GLN  36  -2.767  -5.210  14.335
  230   2HB   GLN  36          1HB       GLN  36  -4.094  -6.335  14.166
  231   1HG   GLN  36          2HG       GLN  36  -1.176  -6.978  13.544
  232   2HG   GLN  36          1HG       GLN  36  -2.058  -7.498  14.968
  233   1HE2  GLN  36          1HE2      GLN  36  -1.625  -8.044  11.526
  234   2HE2  GLN  36          2HE2      GLN  36  -2.571  -9.452  11.439
  235    H    ARG  37           H        ARG  37  -3.329  -3.425  13.422
  236    HA   ARG  37           HA       ARG  37  -5.860  -2.483  12.126
  237   1HB   ARG  37          2HB       ARG  37  -4.785  -1.900  14.910
  238   2HB   ARG  37          1HB       ARG  37  -6.251  -1.205  14.253
  239   1HG   ARG  37          2HG       ARG  37  -5.710  -4.164  14.781
  240   2HG   ARG  37          1HG       ARG  37  -6.688  -3.118  15.788
  241   1HD   ARG  37          2HD       ARG  37  -7.279  -3.797  12.890
  242   2HD   ARG  37          1HD       ARG  37  -8.095  -4.470  14.303
  243    HE   ARG  37           HE       ARG  37  -8.445  -1.811  14.710
  244   1HH1  ARG  37          2HH1      ARG  37  -8.925  -3.816  11.913
  245   2HH1  ARG  37          1HH1      ARG  37 -10.202  -2.827  11.295
  246   1HH2  ARG  37          1HH2      ARG  37 -10.057  -0.554  13.938
  247   2HH2  ARG  37          2HH2      ARG  37 -10.857  -0.956  12.458
  248    H    ARG  38           H        ARG  38  -2.622  -2.081  12.342
  249    HA   ARG  38           HA       ARG  38  -2.649   0.845  11.758
  250   1HB   ARG  38          2HB       ARG  38  -1.136   0.345  13.542
  251   2HB   ARG  38          1HB       ARG  38  -0.457  -1.040  12.740
  252   1HG   ARG  38          2HG       ARG  38   0.490   0.555  10.967
  253   2HG   ARG  38          1HG       ARG  38  -0.195   1.895  11.869
  254   1HD   ARG  38          2HD       ARG  38   1.275   1.363  13.797
  255   2HD   ARG  38          1HD       ARG  38   1.860  -0.077  12.971
  256    HE   ARG  38           HE       ARG  38   3.289   1.273  11.717
  257   1HH1  ARG  38          2HH1      ARG  38   0.770   3.225  13.084
  258   2HH1  ARG  38          1HH1      ARG  38   1.486   4.708  12.547
  259   1HH2  ARG  38          1HH2      ARG  38   4.201   3.125  11.031
  260   2HH2  ARG  38          2HH2      ARG  38   3.460   4.652  11.371
  261    H    CYS  39           H        CYS  39  -2.014   1.592   9.893
  262    HA   CYS  39           HA       CYS  39  -1.657  -0.291   7.669
  263   1HB   CYS  39          2HB       CYS  39  -2.253   2.660   7.713
  264   2HB   CYS  39          1HB       CYS  39  -2.217   1.660   6.277
  265    H    GLU  40           H        GLU  40   0.316  -0.791   7.008
  266    HA   GLU  40           HA       GLU  40   2.306   1.367   6.610
  267   1HB   GLU  40          2HB       GLU  40   2.771   0.284   8.875
  268   2HB   GLU  40          1HB       GLU  40   2.964  -1.246   8.053
  269   1HG   GLU  40          2HG       GLU  40   4.864  -0.449   6.769
  270   2HG   GLU  40          1HG       GLU  40   4.631   1.204   7.278
  271    H    ASP  41           H        ASP  41   4.037   0.739   5.240
  272    HA   ASP  41           HA       ASP  41   3.128  -0.813   2.960
  273   1HB   ASP  41          2HB       ASP  41   4.496   1.241   2.617
  274   2HB   ASP  41          1HB       ASP  41   5.790   0.552   3.545
  275    H    ILE  42           H        ILE  42   4.476  -2.439   1.973
  276    HA   ILE  42           HA       ILE  42   4.940  -4.617   3.687
  277    HB   ILE  42           HB       ILE  42   4.422  -4.847   1.244
  278   1HG1  ILE  42          2HG1      ILE  42   7.116  -6.108   1.981
  279   2HG1  ILE  42          1HG1      ILE  42   5.559  -6.723   2.499
  280   1HG2  ILE  42          1HG2      ILE  42   7.285  -3.835   0.813
  281   2HG2  ILE  42          2HG2      ILE  42   5.827  -2.944   0.427
  282   3HG2  ILE  42          3HG2      ILE  42   6.213  -4.402  -0.450
  283   1HD1  ILE  42          1HD1      ILE  42   6.396  -7.965   0.541
  284   2HD1  ILE  42          2HD1      ILE  42   6.492  -6.491  -0.400
  285   3HD1  ILE  42          3HD1      ILE  42   4.928  -7.096   0.120
  286    H    ASP  43           H        ASP  43   6.999  -5.618   4.310
  287    HA   ASP  43           HA       ASP  43   9.097  -3.590   4.781
  288   1HB   ASP  43          2HB       ASP  43   8.308  -5.112   6.627
  289   2HB   ASP  43          1HB       ASP  43   8.977  -6.476   5.754
  290    H    GLU  44           H        GLU  44  10.204  -3.292   3.079
  291    HA   GLU  44           HA       GLU  44  11.177  -5.380   1.287
  292   1HB   GLU  44          2HB       GLU  44  12.199  -3.375   0.043
  293   2HB   GLU  44          1HB       GLU  44  10.460  -3.313   0.229
  294   1HG   GLU  44          2HG       GLU  44  12.459  -1.918   2.026
  295   2HG   GLU  44          1HG       GLU  44  11.698  -1.176   0.629
  296    H    CYS  45           H        CYS  45  12.356  -4.048   4.245
  297    HA   CYS  45           HA       CYS  45  15.101  -3.973   3.586
  298   1HB   CYS  45          2HB       CYS  45  13.692  -4.367   6.238
  299   2HB   CYS  45          1HB       CYS  45  15.394  -4.310   6.080
  300    H    GLN  46           H        GLN  46  13.298  -6.163   5.563
  301    HA   GLN  46           HA       GLN  46  14.941  -8.297   5.976
  302   1HB   GLN  46          2HB       GLN  46  11.957  -8.303   5.380
  303   2HB   GLN  46          1HB       GLN  46  12.809  -9.622   6.154
  304   1HG   GLN  46          2HG       GLN  46  13.459  -8.134   8.032
  305   2HG   GLN  46          1HG       GLN  46  12.695  -6.760   7.258
  306   1HE2  GLN  46          1HE2      GLN  46  12.142  -8.555   9.805
  307   2HE2  GLN  46          2HE2      GLN  46  10.461  -8.778   9.726
  308    H    ASP  47           H        ASP  47  12.913  -7.731   3.186
  309    HA   ASP  47           HA       ASP  47  13.688 -10.095   1.800
  310   1HB   ASP  47          2HB       ASP  47  11.459  -9.126   1.440
  311   2HB   ASP  47          1HB       ASP  47  12.175  -7.626   0.878
  312    HA   PRO  48           HA       PRO  48  17.505  -8.403   0.150
  313   1HB   PRO  48          2HB       PRO  48  16.935 -10.080  -2.281
  314   2HB   PRO  48          1HB       PRO  48  18.344 -10.068  -1.250
  315   1HG   PRO  48          2HG       PRO  48  16.580 -12.047  -1.114
  316   2HG   PRO  48          1HG       PRO  48  17.391 -11.437   0.338
  317   1HD   PRO  48          2HD       PRO  48  14.597 -10.957  -0.611
  318   2HD   PRO  48          1HD       PRO  48  15.229 -11.194   1.031
  319    H    ASP  49           H        ASP  49  16.843  -6.324  -0.144
  320    HA   ASP  49           HA       ASP  49  16.312  -5.485  -2.914
  321   1HB   ASP  49          2HB       ASP  49  14.071  -5.735  -1.928
  322   2HB   ASP  49          1HB       ASP  49  14.585  -4.812  -0.528
  323    H    THR  50           H        THR  50  16.814  -4.486   0.429
  324    HA   THR  50           HA       THR  50  17.988  -1.932  -0.331
  325    HB   THR  50           HB       THR  50  18.158  -1.729   2.226
  326    HG1  THR  50           1HG      THR  50  17.178  -3.478   3.331
  327   1HG2  THR  50          1HG2      THR  50  15.464  -2.780   1.207
  328   2HG2  THR  50          2HG2      THR  50  16.035  -1.129   1.002
  329   3HG2  THR  50          3HG2      THR  50  15.707  -1.754   2.610
  330    H    CYS  51           H        CYS  51  19.566  -3.325   2.325
  331    HA   CYS  51           HA       CYS  51  22.051  -3.701   0.735
  332   1HB   CYS  51          2HB       CYS  51  21.478  -2.665   3.508
  333   2HB   CYS  51          1HB       CYS  51  23.081  -2.973   2.907
  334    H    SER  52           H        SER  52  23.633  -5.276   1.653
  335    HA   SER  52           HA       SER  52  22.492  -7.824   1.962
  336   1HB   SER  52          2HB       SER  52  25.292  -6.892   2.719
  337   2HB   SER  52          1HB       SER  52  24.792  -8.553   2.412
  338    HG   SER  52           HG       SER  52  25.623  -7.503   0.540
  339    H    GLN  53           H        GLN  53  23.156  -5.448   4.369
  340    HA   GLN  53           HA       GLN  53  22.500  -7.467   6.482
  341   1HB   GLN  53          2HB       GLN  53  24.392  -5.098   6.672
  342   2HB   GLN  53          1HB       GLN  53  23.981  -6.176   7.989
  343   1HG   GLN  53          2HG       GLN  53  25.352  -6.978   5.392
  344   2HG   GLN  53          1HG       GLN  53  26.123  -6.826   6.960
  345   1HE2  GLN  53          1HE2      GLN  53  24.218  -8.153   8.619
  346   2HE2  GLN  53          2HE2      GLN  53  24.156  -9.784   8.153
  347    H    LEU  54           H        LEU  54  22.834  -4.746   8.147
  348    HA   LEU  54           HA       LEU  54  20.159  -4.515   8.800
  349   1HB   LEU  54          2HB       LEU  54  22.339  -2.495   9.033
  350   2HB   LEU  54          1HB       LEU  54  20.780  -2.389   9.843
  351    HG   LEU  54           HG       LEU  54  22.992  -4.385  10.342
  352   1HD1  LEU  54          1HD1      LEU  54  23.127  -2.058  11.240
  353   2HD1  LEU  54          2HD1      LEU  54  22.853  -3.225  12.541
  354   3HD1  LEU  54          3HD1      LEU  54  21.523  -2.249  11.922
  355   1HD2  LEU  54          1HD2      LEU  54  21.493  -5.301  12.060
  356   2HD2  LEU  54          2HD2      LEU  54  20.731  -5.486  10.489
  357   3HD2  LEU  54          3HD2      LEU  54  20.212  -4.193  11.566
  358    H    CYS  55           H        CYS  55  18.882  -2.942   8.909
  359    HA   CYS  55           HA       CYS  55  18.689  -0.764   6.980
  360   1HB   CYS  55          2HB       CYS  55  18.198  -2.737   5.576
  361   2HB   CYS  55          1HB       CYS  55  16.979  -3.255   6.662
  362    H    VAL  56           H        VAL  56  16.061  -0.179   7.000
  363    HA   VAL  56           HA       VAL  56  14.834  -0.478   9.615
  364    HB   VAL  56           HB       VAL  56  16.530   1.216  10.181
  365   1HG1  VAL  56          1HG1      VAL  56  15.419   2.971   7.954
  366   2HG1  VAL  56          2HG1      VAL  56  16.994   2.194   7.980
  367   3HG1  VAL  56          3HG1      VAL  56  16.611   3.439   9.145
  368   1HG2  VAL  56          1HG2      VAL  56  14.340   1.447  11.259
  369   2HG2  VAL  56          2HG2      VAL  56  13.764   2.461   9.946
  370   3HG2  VAL  56          3HG2      VAL  56  15.048   3.031  10.997
  371    H    ASN  57           H        ASN  57  13.049  -1.003   8.903
  372    HA   ASN  57           HA       ASN  57  11.617   0.116   6.619
  373   1HB   ASN  57          2HB       ASN  57  11.676  -2.340   7.053
  374   2HB   ASN  57          1HB       ASN  57  10.885  -2.044   8.591
  375   1HD2  ASN  57          1HD2      ASN  57   8.947  -3.145   8.244
  376   2HD2  ASN  57          2HD2      ASN  57   7.830  -2.708   7.044
  377    H    LEU  58           H        LEU  58   9.506   0.669   6.702
  378    HA   LEU  58           HA       LEU  58   7.713   1.375   8.738
  379   1HB   LEU  58          2HB       LEU  58   7.958   3.826   9.014
  380   2HB   LEU  58          1HB       LEU  58   9.394   3.044   9.566
  381    HG   LEU  58           HG       LEU  58   9.321   4.079   6.709
  382   1HD1  LEU  58          1HD1      LEU  58  10.301   6.194   7.521
  383   2HD1  LEU  58          2HD1      LEU  58  10.124   5.678   9.192
  384   3HD1  LEU  58          3HD1      LEU  58   8.698   6.000   8.208
  385   1HD2  LEU  58          1HD2      LEU  58  11.758   4.322   7.198
  386   2HD2  LEU  58          2HD2      LEU  58  11.271   2.688   7.552
  387   3HD2  LEU  58          3HD2      LEU  58  11.472   3.828   8.859
  388    H    GLU  59           H        GLU  59   6.877   3.819   7.676
  389    HA   GLU  59           HA       GLU  59   5.435   2.927   5.301
  390   1HB   GLU  59          2HB       GLU  59   5.352   5.391   7.054
  391   2HB   GLU  59          1HB       GLU  59   4.541   5.462   5.542
  392   1HG   GLU  59          2HG       GLU  59   2.837   4.805   7.120
  393   2HG   GLU  59          1HG       GLU  59   3.267   3.340   6.304
  394    H    GLY  60           H        GLY  60   6.530   2.821   3.565
  395   1HA   GLY  60          2HA       GLY  60   7.570   3.453   1.617
  396   2HA   GLY  60          1HA       GLY  60   7.388   5.107   2.181
  397    H    GLY  61           H        GLY  61   8.704   4.359   4.698
  398   1HA   GLY  61          2HA       GLY  61  11.407   5.037   3.845
  399   2HA   GLY  61          1HA       GLY  61  10.801   5.000   5.494
  400    H    TYR  62           H        TYR  62  12.735   3.701   3.539
  401    HA   TYR  62           HA       TYR  62  13.070   1.141   5.035
  402   1HB   TYR  62          2HB       TYR  62  12.977  -0.289   3.117
  403   2HB   TYR  62          1HB       TYR  62  11.563   0.749   2.984
  404    HD1  TYR  62           1HD      TYR  62  12.209   3.129   1.609
  405    HD2  TYR  62           2HD      TYR  62  14.001  -0.694   1.137
  406    HE1  TYR  62           1HE      TYR  62  12.973   3.745  -0.618
  407    HE2  TYR  62           2HE      TYR  62  14.773  -0.094  -1.077
  408    HH   TYR  62           HH       TYR  62  13.784   1.784  -2.913
  409    H    LYS  63           H        LYS  63  14.830   2.657   5.758
  410    HA   LYS  63           HA       LYS  63  16.905   3.119   3.688
  411   1HB   LYS  63          2HB       LYS  63  16.842   3.997   6.555
  412   2HB   LYS  63          1HB       LYS  63  17.949   4.484   5.327
  413   1HG   LYS  63          2HG       LYS  63  16.150   5.477   3.957
  414   2HG   LYS  63          1HG       LYS  63  14.962   5.009   5.159
  415   1HD   LYS  63          2HD       LYS  63  16.100   6.431   6.856
  416   2HD   LYS  63          1HD       LYS  63  17.295   6.905   5.664
  417   1HE   LYS  63          2HE       LYS  63  14.296   7.436   5.449
  418   2HE   LYS  63          1HE       LYS  63  15.515   8.629   5.869
  419   1HZ   LYS  63          1HZ       LYS  63  15.063   7.284   3.292
  420   2HZ   LYS  63          2HZ       LYS  63  16.578   7.955   3.662
  421   3HZ   LYS  63          3HZ       LYS  63  15.198   8.944   3.628
  422    H    CYS  64           H        CYS  64  18.991   2.655   4.000
  423    HA   CYS  64           HA       CYS  64  19.518   0.035   5.211
  424   1HB   CYS  64          2HB       CYS  64  21.127   1.817   3.442
  425   2HB   CYS  64          1HB       CYS  64  21.779   0.386   4.130
  426    H    GLN  65           H        GLN  65  21.398  -0.412   6.155
  427    HA   GLN  65           HA       GLN  65  23.113   1.398   7.684
  428   1HB   GLN  65          2HB       GLN  65  21.565  -0.695   9.229
  429   2HB   GLN  65          1HB       GLN  65  22.598   0.531   9.859
  430   1HG   GLN  65          2HG       GLN  65  21.018   2.324   9.272
  431   2HG   GLN  65          1HG       GLN  65  19.901   1.135   8.606
  432   1HE2  GLN  65          1HE2      GLN  65  21.420   2.224  11.635
  433   2HE2  GLN  65          2HE2      GLN  65  20.282   1.492  12.659
  434    H    CYS  66           H        CYS  66  24.396  -0.579   9.123
  435    HA   CYS  66           HA       CYS  66  24.730  -2.866   7.302
  436   1HB   CYS  66          2HB       CYS  66  26.955  -1.133   8.286
  437   2HB   CYS  66          1HB       CYS  66  27.041  -2.534   7.347
  438    H    GLU  67           H        GLU  67  26.196  -4.515   8.119
  439    HA   GLU  67           HA       GLU  67  25.670  -5.061  10.974
  440   1HB   GLU  67          2HB       GLU  67  25.446  -6.839   9.129
  441   2HB   GLU  67          1HB       GLU  67  27.171  -6.771   8.916
  442   1HG   GLU  67          2HG       GLU  67  25.727  -7.603  11.471
  443   2HG   GLU  67          1HG       GLU  67  26.449  -8.697  10.317
  444    H    GLU  68           H        GLU  68  26.950  -3.338  11.725
  445    HA   GLU  68           HA       GLU  68  28.838  -2.243  12.484
  446   1HB   GLU  68          2HB       GLU  68  29.688  -5.143  12.837
  447   2HB   GLU  68          1HB       GLU  68  30.429  -3.794  13.659
  448   1HG   GLU  68          2HG       GLU  68  27.502  -4.649  13.903
  449   2HG   GLU  68          1HG       GLU  68  28.750  -4.913  15.103
  450    H    GLY  69           H        GLY  69  30.628  -4.935  11.191
  451   1HA   GLY  69          2HA       GLY  69  32.841  -3.419  10.340
  452   2HA   GLY  69          1HA       GLY  69  32.573  -5.108   9.985
  453    H    PHE  70           H        PHE  70  29.903  -4.214   8.661
  454    HA   PHE  70           HA       PHE  70  31.036  -4.060   6.072
  455   1HB   PHE  70          2HB       PHE  70  28.238  -3.949   7.119
  456   2HB   PHE  70          1HB       PHE  70  28.554  -3.800   5.403
  457    HD1  PHE  70           1HD      PHE  70  27.407  -5.748   4.668
  458    HD2  PHE  70           2HD      PHE  70  30.297  -6.147   7.771
  459    HE1  PHE  70           1HE      PHE  70  27.259  -8.183   4.513
  460    HE2  PHE  70           2HE      PHE  70  30.137  -8.571   7.620
  461    HZ   PHE  70           HZ       PHE  70  28.624  -9.609   5.981
  462    H    GLN  71           H        GLN  71  30.627  -2.422   4.515
  463    HA   GLN  71           HA       GLN  71  30.064   0.259   5.544
  464   1HB   GLN  71          2HB       GLN  71  32.410  -0.783   4.007
  465   2HB   GLN  71          1HB       GLN  71  31.909   0.835   3.690
  466   1HG   GLN  71          2HG       GLN  71  32.578  -0.243   6.474
  467   2HG   GLN  71          1HG       GLN  71  33.663   0.746   5.497
  468   1HE2  GLN  71          1HE2      GLN  71  32.851   1.760   7.965
  469   2HE2  GLN  71          2HE2      GLN  71  31.766   3.047   7.744
  470    H    LEU  72           H        LEU  72  29.921   1.801   3.899
  471    HA   LEU  72           HA       LEU  72  27.788   0.957   2.053
  472   1HB   LEU  72          2HB       LEU  72  27.683   3.141   3.277
  473   2HB   LEU  72          1HB       LEU  72  29.070   3.701   2.365
  474    HG   LEU  72           HG       LEU  72  27.752   3.236   0.232
  475   1HD1  LEU  72          1HD1      LEU  72  26.101   1.622   1.111
  476   2HD1  LEU  72          2HD1      LEU  72  25.296   3.004   0.402
  477   3HD1  LEU  72          3HD1      LEU  72  25.418   2.864   2.145
  478   1HD2  LEU  72          1HD2      LEU  72  26.498   5.208   2.193
  479   2HD2  LEU  72          2HD2      LEU  72  26.323   5.268   0.444
  480   3HD2  LEU  72          3HD2      LEU  72  27.898   5.529   1.180
  481    H    ASP  73           H        ASP  73  28.587  -0.219   0.457
  482    HA   ASP  73           HA       ASP  73  31.069   0.339  -0.941
  483   1HB   ASP  73          2HB       ASP  73  30.066  -1.963  -0.777
  484   2HB   ASP  73          1HB       ASP  73  28.731  -1.455  -1.795
  485    HA   PRO  74           HA       PRO  74  29.149   3.426  -3.575
  486   1HB   PRO  74          2HB       PRO  74  31.170   3.982  -5.232
  487   2HB   PRO  74          1HB       PRO  74  31.288   4.367  -3.532
  488   1HG   PRO  74          2HG       PRO  74  32.394   1.983  -4.963
  489   2HG   PRO  74          1HG       PRO  74  33.180   3.062  -3.798
  490   1HD   PRO  74          2HD       PRO  74  32.123   0.650  -3.103
  491   2HD   PRO  74          1HD       PRO  74  32.228   2.022  -1.982
  492    H    HIS  75           H        HIS  75  28.608   3.810  -5.772
  493    HA   HIS  75           HA       HIS  75  27.631   3.230  -7.807
  494   1HB   HIS  75          2HB       HIS  75  29.756   1.034  -7.796
  495   2HB   HIS  75          1HB       HIS  75  28.839   1.574  -9.196
  496    HD1  HIS  75           1HD      HIS  75  31.476   2.778  -6.875
  497    HD2  HIS  75           2HD      HIS  75  29.683   4.026 -10.324
  498    HE1  HIS  75           1HE      HIS  75  32.797   4.696  -7.690
  499    H    THR  76           H        THR  76  27.334   1.494  -5.190
  500    HA   THR  76           HA       THR  76  25.217  -0.315  -6.237
  501    HB   THR  76           HB       THR  76  25.951  -2.009  -4.470
  502    HG1  THR  76           1HG      THR  76  28.119  -0.209  -4.278
  503   1HG2  THR  76          1HG2      THR  76  28.069  -2.772  -5.568
  504   2HG2  THR  76          2HG2      THR  76  28.319  -1.187  -6.276
  505   3HG2  THR  76          3HG2      THR  76  27.003  -2.203  -6.842
  506    H    LYS  77           H        LYS  77  26.728   1.336  -3.651
  507    HA   LYS  77           HA       LYS  77  25.975   2.456  -1.744
  508   1HB   LYS  77          2HB       LYS  77  23.411   2.347  -3.166
  509   2HB   LYS  77          1HB       LYS  77  23.730   3.397  -1.809
  510   1HG   LYS  77          2HG       LYS  77  25.625   4.440  -3.096
  511   2HG   LYS  77          1HG       LYS  77  25.224   3.445  -4.484
  512   1HD   LYS  77          2HD       LYS  77  22.965   4.489  -4.588
  513   2HD   LYS  77          1HD       LYS  77  23.372   5.502  -3.213
  514   1HE   LYS  77          2HE       LYS  77  24.845   5.496  -5.888
  515   2HE   LYS  77          1HE       LYS  77  23.721   6.732  -5.348
  516   1HZ   LYS  77          1HZ       LYS  77  26.464   6.278  -4.591
  517   2HZ   LYS  77          2HZ       LYS  77  25.426   6.639  -3.296
  518   3HZ   LYS  77          3HZ       LYS  77  25.557   7.713  -4.605
  519    H    ALA  78           H        ALA  78  25.816  -0.503  -2.163
  520    HA   ALA  78           HA       ALA  78  23.793  -1.319  -0.137
  521   1HB   ALA  78          1HB       ALA  78  24.223  -3.606  -1.013
  522   2HB   ALA  78          2HB       ALA  78  25.454  -2.957  -2.086
  523   3HB   ALA  78          3HB       ALA  78  23.770  -2.510  -2.313
  524    H    CYS  79           H        CYS  79  24.443  -2.537   1.669
  525    HA   CYS  79           HA       CYS  79  27.155  -1.960   2.589
  526   1HB   CYS  79          2HB       CYS  79  24.928  -3.437   3.957
  527   2HB   CYS  79          1HB       CYS  79  26.474  -3.125   4.674
  528    H    LYS  80           H        LYS  80  28.722  -3.315   3.098
  529    HA   LYS  80           HA       LYS  80  28.443  -6.213   2.961
  530   1HB   LYS  80          2HB       LYS  80  30.123  -6.550   1.477
  531   2HB   LYS  80          1HB       LYS  80  28.734  -5.873   0.615
  532   1HG   LYS  80          2HG       LYS  80  29.875  -3.577   0.743
  533   2HG   LYS  80          1HG       LYS  80  31.313  -4.357   1.367
  534   1HD   LYS  80          2HD       LYS  80  30.072  -4.897  -1.353
  535   2HD   LYS  80          1HD       LYS  80  31.515  -3.952  -1.045
  536   1HE   LYS  80          2HE       LYS  80  32.652  -5.957  -0.101
  537   2HE   LYS  80          1HE       LYS  80  31.219  -6.923  -0.430
  538   1HZ   LYS  80          1HZ       LYS  80  33.296  -6.411  -2.136
  539   2HZ   LYS  80          2HZ       LYS  80  32.006  -5.485  -2.734
  540   3HZ   LYS  80          3HZ       LYS  80  31.819  -7.158  -2.515
  541    H    ALA  81           H        ALA  81  30.373  -7.268   3.794
  542    HA   ALA  81           HA       ALA  81  31.764  -6.068   5.885
  543   1HB   ALA  81          1HB       ALA  81  33.398  -7.929   5.666
  544   2HB   ALA  81          2HB       ALA  81  32.779  -8.282   4.059
  545   3HB   ALA  81          3HB       ALA  81  31.753  -8.509   5.464
  546    H    VAL  82           H        VAL  82  33.099  -4.394   5.947
  547    HA   VAL  82           HA       VAL  82  34.165  -2.969   3.858
  548    HB   VAL  82           HB       VAL  82  34.141  -2.197   6.207
  549   1HG1  VAL  82          1HG1      VAL  82  34.880  -4.329   7.303
  550   2HG1  VAL  82          2HG1      VAL  82  35.880  -2.981   7.811
  551   3HG1  VAL  82          3HG1      VAL  82  36.479  -4.126   6.623
  552   1HG2  VAL  82          1HG2      VAL  82  36.335  -1.046   6.247
  553   2HG2  VAL  82          2HG2      VAL  82  35.632  -1.020   4.640
  554   3HG2  VAL  82          3HG2      VAL  82  36.940  -2.132   5.009
  Start of MODEL   27
    1    H    GLY   1           H        GLY   1 -20.292   0.294   1.053
    2   1HA   GLY   1          2HA       GLY   1 -22.013   1.779  -0.791
    3   2HA   GLY   1          1HA       GLY   1 -22.483   0.095  -0.553
    4    H    THR   2           H        THR   2 -24.239   1.924   0.101
    5    HA   THR   2           HA       THR   2 -25.517   3.003   1.756
    6    HB   THR   2           HB       THR   2 -26.064   0.571   1.642
    7    HG1  THR   2           1HG      THR   2 -27.294   0.737   3.479
    8   1HG2  THR   2          1HG2      THR   2 -23.977  -0.320   2.784
    9   2HG2  THR   2          2HG2      THR   2 -25.459  -0.813   3.589
   10   3HG2  THR   2          3HG2      THR   2 -24.502   0.511   4.242
   11    H    ASN   3           H        ASN   3 -25.546   2.531   4.515
   12    HA   ASN   3           HA       ASN   3 -23.491   4.431   5.320
   13   1HB   ASN   3          2HB       ASN   3 -25.918   4.605   6.089
   14   2HB   ASN   3          1HB       ASN   3 -25.747   3.076   6.926
   15   1HD2  ASN   3          1HD2      ASN   3 -24.347   6.391   6.883
   16   2HD2  ASN   3          2HD2      ASN   3 -24.032   6.440   8.551
   17    H    GLU   4           H        GLU   4 -22.657   1.836   4.660
   18    HA   GLU   4           HA       GLU   4 -21.507   0.738   7.153
   19   1HB   GLU   4          2HB       GLU   4 -21.462  -0.105   4.222
   20   2HB   GLU   4          1HB       GLU   4 -20.569  -0.948   5.468
   21   1HG   GLU   4          2HG       GLU   4 -22.600  -1.453   6.698
   22   2HG   GLU   4          1HG       GLU   4 -23.580  -0.425   5.697
   23    H    CYS   5           H        CYS   5 -20.683   2.520   4.245
   24    HA   CYS   5           HA       CYS   5 -17.881   2.601   4.812
   25   1HB   CYS   5          2HB       CYS   5 -19.619   4.114   2.855
   26   2HB   CYS   5          1HB       CYS   5 -17.887   4.229   2.892
   27    H    LEU   6           H        LEU   6 -20.675   4.621   4.975
   28    HA   LEU   6           HA       LEU   6 -19.624   7.051   5.823
   29   1HB   LEU   6          2HB       LEU   6 -22.272   5.764   6.459
   30   2HB   LEU   6          1HB       LEU   6 -21.935   7.462   6.633
   31    HG   LEU   6           HG       LEU   6 -21.910   5.830   4.031
   32   1HD1  LEU   6          1HD1      LEU   6 -23.844   7.266   3.411
   33   2HD1  LEU   6          2HD1      LEU   6 -23.755   8.063   4.976
   34   3HD1  LEU   6          3HD1      LEU   6 -24.184   6.366   4.877
   35   1HD2  LEU   6          1HD2      LEU   6 -20.190   7.651   3.905
   36   2HD2  LEU   6          2HD2      LEU   6 -21.407   8.828   4.370
   37   3HD2  LEU   6          3HD2      LEU   6 -21.537   7.979   2.839
   38    H    ASP   7           H        ASP   7 -20.691   4.263   7.593
   39    HA   ASP   7           HA       ASP   7 -19.904   5.405  10.251
   40   1HB   ASP   7          2HB       ASP   7 -22.159   4.187   9.861
   41   2HB   ASP   7          1HB       ASP   7 -21.195   2.752   9.537
   42    H    ASN   8           H        ASN   8 -19.151   2.973  11.375
   43    HA   ASN   8           HA       ASN   8 -16.432   2.805  10.916
   44   1HB   ASN   8          2HB       ASN   8 -18.333   0.789  11.848
   45   2HB   ASN   8          1HB       ASN   8 -16.605   0.580  12.044
   46   1HD2  ASN   8          1HD2      ASN   8 -19.445   2.257  13.269
   47   2HD2  ASN   8          2HD2      ASN   8 -18.660   3.073  14.530
   48    H    ASN   9           H        ASN   9 -15.500   2.348   9.050
   49    HA   ASN   9           HA       ASN   9 -16.424   1.492   6.656
   50   1HB   ASN   9          2HB       ASN   9 -14.174   2.315   7.158
   51   2HB   ASN   9          1HB       ASN   9 -13.806   0.763   7.914
   52   1HD2  ASN   9          1HD2      ASN   9 -13.427  -1.038   6.656
   53   2HD2  ASN   9          2HD2      ASN   9 -13.112  -0.940   5.002
   54    H    GLY  10           H        GLY  10 -18.066  -0.068   6.999
   55   1HA   GLY  10          2HA       GLY  10 -18.976  -2.185   6.849
   56   2HA   GLY  10          1HA       GLY  10 -17.403  -2.676   6.246
   57    H    GLY  11           H        GLY  11 -17.012  -1.303   9.212
   58   1HA   GLY  11          2HA       GLY  11 -17.721  -2.649  11.355
   59   2HA   GLY  11          1HA       GLY  11 -16.731  -3.905  10.609
   60    H    CYS  12           H        CYS  12 -14.811  -2.089   9.462
   61    HA   CYS  12           HA       CYS  12 -13.269  -1.338  11.883
   62   1HB   CYS  12          2HB       CYS  12 -11.368  -1.695  10.499
   63   2HB   CYS  12          1HB       CYS  12 -12.421  -3.070  10.275
   64    H    SER  13           H        SER  13 -11.618   0.029   9.603
   65    HA   SER  13           HA       SER  13 -13.138   2.398   8.896
   66   1HB   SER  13          2HB       SER  13 -11.706   3.953  10.209
   67   2HB   SER  13          1HB       SER  13 -12.580   2.841  11.271
   68    HG   SER  13           HG       SER  13  -9.925   2.522  10.298
   69    H    HIS  14           H        HIS  14 -11.800   0.321   7.607
   70    HA   HIS  14           HA       HIS  14  -9.451   1.582   6.296
   71   1HB   HIS  14          2HB       HIS  14 -10.333  -1.323   6.463
   72   2HB   HIS  14          1HB       HIS  14  -8.893  -0.721   5.686
   73    HD1  HIS  14           1HD      HIS  14  -9.066  -2.562   8.307
   74    HD2  HIS  14           2HD      HIS  14  -8.048   1.392   8.235
   75    HE1  HIS  14           1HE      HIS  14  -7.768  -2.141  10.360
   76    H    VAL  15           H        VAL  15 -10.776  -1.038   4.577
   77    HA   VAL  15           HA       VAL  15 -11.933   0.774   2.496
   78    HB   VAL  15           HB       VAL  15 -10.732  -2.001   2.234
   79   1HG1  VAL  15          1HG1      VAL  15 -11.024  -1.696  -0.229
   80   2HG1  VAL  15          2HG1      VAL  15 -11.844  -0.168   0.050
   81   3HG1  VAL  15          3HG1      VAL  15 -12.576  -1.671   0.576
   82   1HG2  VAL  15          1HG2      VAL  15  -9.004  -0.857   0.917
   83   2HG2  VAL  15          2HG2      VAL  15  -9.048  -0.236   2.563
   84   3HG2  VAL  15          3HG2      VAL  15  -9.755   0.696   1.247
   85    H    CYS  16           H        CYS  16 -14.085   0.797   2.637
   86    HA   CYS  16           HA       CYS  16 -15.610  -1.446   3.686
   87   1HB   CYS  16          2HB       CYS  16 -17.505   0.024   3.259
   88   2HB   CYS  16          1HB       CYS  16 -16.264   0.906   4.087
   89    H    ASN  17           H        ASN  17 -14.920  -3.073   2.222
   90    HA   ASN  17           HA       ASN  17 -15.729  -2.765  -0.626
   91   1HB   ASN  17          2HB       ASN  17 -13.526  -3.533  -0.341
   92   2HB   ASN  17          1HB       ASN  17 -13.885  -4.624   0.950
   93   1HD2  ASN  17          1HD2      ASN  17 -13.936  -6.765   0.175
   94   2HD2  ASN  17          2HD2      ASN  17 -14.330  -7.238  -1.400
   95    H    ASP  18           H        ASP  18 -17.621  -2.503   0.181
   96    HA   ASP  18           HA       ASP  18 -19.389  -4.034   1.674
   97   1HB   ASP  18          2HB       ASP  18 -19.700  -1.706   0.835
   98   2HB   ASP  18          1HB       ASP  18 -20.036  -2.329  -0.766
   99    H    LEU  19           H        LEU  19 -19.064  -6.118   1.308
  100    HA   LEU  19           HA       LEU  19 -19.338  -7.587  -1.091
  101   1HB   LEU  19          2HB       LEU  19 -18.291  -8.125   1.281
  102   2HB   LEU  19          1HB       LEU  19 -19.928  -8.496   1.728
  103    HG   LEU  19           HG       LEU  19 -20.073 -10.275   0.016
  104   1HD1  LEU  19          1HD1      LEU  19 -17.120  -9.591  -0.316
  105   2HD1  LEU  19          2HD1      LEU  19 -18.347  -9.280  -1.530
  106   3HD1  LEU  19          3HD1      LEU  19 -17.950 -10.933  -1.100
  107   1HD2  LEU  19          1HD2      LEU  19 -18.604 -11.814   1.280
  108   2HD2  LEU  19          2HD2      LEU  19 -19.433 -10.702   2.349
  109   3HD2  LEU  19          3HD2      LEU  19 -17.743 -10.436   1.961
  110    H    LYS  20           H        LYS  20 -21.154  -9.393  -1.105
  111    HA   LYS  20           HA       LYS  20 -23.702  -7.990  -1.247
  112   1HB   LYS  20          2HB       LYS  20 -24.528 -10.173  -2.108
  113   2HB   LYS  20          1HB       LYS  20 -23.045  -9.705  -2.916
  114   1HG   LYS  20          2HG       LYS  20 -21.751 -11.251  -1.415
  115   2HG   LYS  20          1HG       LYS  20 -23.260 -11.759  -0.671
  116   1HD   LYS  20          2HD       LYS  20 -24.114 -12.554  -2.839
  117   2HD   LYS  20          1HD       LYS  20 -22.628 -12.048  -3.624
  118   1HE   LYS  20          2HE       LYS  20 -21.332 -13.616  -2.178
  119   2HE   LYS  20          1HE       LYS  20 -22.825 -14.125  -1.399
  120   1HZ   LYS  20          1HZ       LYS  20 -22.781 -15.683  -2.970
  121   2HZ   LYS  20          2HZ       LYS  20 -21.776 -14.787  -4.007
  122   3HZ   LYS  20          3HZ       LYS  20 -23.444 -14.472  -3.961
  123    H    ILE  21           H        ILE  21 -22.261 -10.583   0.694
  124    HA   ILE  21           HA       ILE  21 -23.973  -9.950   2.998
  125    HB   ILE  21           HB       ILE  21 -23.614 -12.710   1.737
  126   1HG1  ILE  21          2HG1      ILE  21 -26.141 -11.012   2.067
  127   2HG1  ILE  21          1HG1      ILE  21 -25.321 -11.326   0.551
  128   1HG2  ILE  21          1HG2      ILE  21 -25.061 -13.500   3.625
  129   2HG2  ILE  21          2HG2      ILE  21 -25.072 -11.861   4.271
  130   3HG2  ILE  21          3HG2      ILE  21 -23.575 -12.783   4.210
  131   1HD1  ILE  21          1HD1      ILE  21 -27.264 -12.794   0.769
  132   2HD1  ILE  21          2HD1      ILE  21 -26.639 -13.469   2.259
  133   3HD1  ILE  21          3HD1      ILE  21 -25.784 -13.739   0.747
  134    H    GLY  22           H        GLY  22 -22.377  -9.409   4.427
  135   1HA   GLY  22          2HA       GLY  22 -20.752 -10.008   6.027
  136   2HA   GLY  22          1HA       GLY  22 -20.236 -11.284   4.952
  137    H    TYR  23           H        TYR  23 -20.697  -7.908   4.592
  138    HA   TYR  23           HA       TYR  23 -18.942  -6.931   2.813
  139   1HB   TYR  23          2HB       TYR  23 -19.183  -5.537   5.459
  140   2HB   TYR  23          1HB       TYR  23 -19.021  -4.827   3.867
  141    HD1  TYR  23           1HD      TYR  23 -21.334  -5.767   6.313
  142    HD2  TYR  23           2HD      TYR  23 -20.926  -5.513   2.097
  143    HE1  TYR  23           1HE      TYR  23 -23.779  -5.768   6.081
  144    HE2  TYR  23           2HE      TYR  23 -23.366  -5.518   1.858
  145    HH   TYR  23           HH       TYR  23 -25.446  -4.913   4.341
  146    H    GLU  24           H        GLU  24 -16.902  -5.949   2.734
  147    HA   GLU  24           HA       GLU  24 -14.919  -7.200   4.531
  148   1HB   GLU  24          2HB       GLU  24 -14.715  -6.180   1.744
  149   2HB   GLU  24          1HB       GLU  24 -13.406  -6.892   2.631
  150   1HG   GLU  24          2HG       GLU  24 -16.011  -8.236   1.837
  151   2HG   GLU  24          1HG       GLU  24 -14.446  -8.522   1.099
  152    H    CYS  25           H        CYS  25 -13.055  -6.287   4.868
  153    HA   CYS  25           HA       CYS  25 -12.812  -3.405   5.087
  154   1HB   CYS  25          2HB       CYS  25 -13.342  -4.305   7.338
  155   2HB   CYS  25          1HB       CYS  25 -12.121  -5.546   7.147
  156    H    LEU  26           H        LEU  26 -11.594  -3.763   3.014
  157    HA   LEU  26           HA       LEU  26  -9.172  -5.395   3.150
  158   1HB   LEU  26          2HB       LEU  26  -9.796  -3.428   0.946
  159   2HB   LEU  26          1HB       LEU  26  -8.919  -4.911   0.905
  160    HG   LEU  26           HG       LEU  26 -11.897  -4.837   1.323
  161   1HD1  LEU  26          1HD1      LEU  26 -11.323  -4.203  -0.979
  162   2HD1  LEU  26          2HD1      LEU  26 -12.007  -5.813  -0.973
  163   3HD1  LEU  26          3HD1      LEU  26 -10.282  -5.611  -1.138
  164   1HD2  LEU  26          1HD2      LEU  26 -10.059  -7.222   0.930
  165   2HD2  LEU  26          2HD2      LEU  26 -11.813  -7.279   1.012
  166   3HD2  LEU  26          3HD2      LEU  26 -10.889  -6.795   2.421
  167    H    CYS  27           H        CYS  27  -7.314  -4.192   1.967
  168    HA   CYS  27           HA       CYS  27  -6.278  -2.221   3.819
  169   1HB   CYS  27          2HB       CYS  27  -5.048  -3.510   1.395
  170   2HB   CYS  27          1HB       CYS  27  -4.207  -2.462   2.497
  171    HA   PRO  28           HA       PRO  28  -7.196   1.313   1.264
  172   1HB   PRO  28          2HB       PRO  28  -5.490   3.104   2.518
  173   2HB   PRO  28          1HB       PRO  28  -7.062   2.674   3.114
  174   1HG   PRO  28          2HG       PRO  28  -4.413   1.752   4.041
  175   2HG   PRO  28          1HG       PRO  28  -5.905   2.008   4.950
  176   1HD   PRO  28          2HD       PRO  28  -4.935  -0.449   4.188
  177   2HD   PRO  28          1HD       PRO  28  -6.628  -0.109   4.585
  178    H    ASP  29           H        ASP  29  -3.841   1.358   2.276
  179    HA   ASP  29           HA       ASP  29  -2.864   2.115  -0.356
  180   1HB   ASP  29          2HB       ASP  29  -0.713   2.247   0.766
  181   2HB   ASP  29          1HB       ASP  29  -1.911   2.974   1.802
  182    H    GLY  30           H        GLY  30  -0.521   0.816  -0.594
  183   1HA   GLY  30          2HA       GLY  30  -1.191  -1.572  -1.901
  184   2HA   GLY  30          1HA       GLY  30   0.424  -0.975  -1.647
  185    H    PHE  31           H        PHE  31  -0.468  -1.236   1.445
  186    HA   PHE  31           HA       PHE  31   1.000  -3.651   1.865
  187   1HB   PHE  31          2HB       PHE  31  -0.773  -1.986   3.662
  188   2HB   PHE  31          1HB       PHE  31   0.115  -3.363   4.226
  189    HD1  PHE  31           1HD      PHE  31   1.137  -1.564   5.796
  190    HD2  PHE  31           2HD      PHE  31   1.955  -1.655   1.604
  191    HE1  PHE  31           1HE      PHE  31   3.192  -0.273   6.135
  192    HE2  PHE  31           2HE      PHE  31   3.966  -0.384   1.958
  193    HZ   PHE  31           HZ       PHE  31   4.609   0.309   4.228
  194    H    GLN  32           H        GLN  32   0.231  -5.414   3.260
  195    HA   GLN  32           HA       GLN  32  -2.286  -6.548   2.185
  196   1HB   GLN  32          2HB       GLN  32   0.284  -7.874   3.062
  197   2HB   GLN  32          1HB       GLN  32  -1.136  -8.702   2.503
  198   1HG   GLN  32          2HG       GLN  32   0.505  -6.694   0.878
  199   2HG   GLN  32          1HG       GLN  32   0.521  -8.433   0.653
  200   1HE2  GLN  32          1HE2      GLN  32  -1.746  -9.410   0.162
  201   2HE2  GLN  32          2HE2      GLN  32  -2.754  -8.505  -0.864
  202    H    LEU  33           H        LEU  33  -3.848  -6.922   3.472
  203    HA   LEU  33           HA       LEU  33  -3.721  -6.644   6.358
  204   1HB   LEU  33          2HB       LEU  33  -5.664  -6.061   4.818
  205   2HB   LEU  33          1HB       LEU  33  -5.921  -7.761   4.585
  206    HG   LEU  33           HG       LEU  33  -6.022  -6.405   7.306
  207   1HD1  LEU  33          1HD1      LEU  33  -7.654  -5.441   5.727
  208   2HD1  LEU  33          2HD1      LEU  33  -8.488  -6.410   6.929
  209   3HD1  LEU  33          3HD1      LEU  33  -8.235  -7.042   5.304
  210   1HD2  LEU  33          1HD2      LEU  33  -7.163  -9.071   6.331
  211   2HD2  LEU  33          2HD2      LEU  33  -7.353  -8.388   7.927
  212   3HD2  LEU  33          3HD2      LEU  33  -5.774  -8.912   7.395
  213    H    VAL  34           H        VAL  34  -2.484  -8.044   7.256
  214    HA   VAL  34           HA       VAL  34  -2.809 -10.968   6.755
  215    HB   VAL  34           HB       VAL  34  -0.604 -10.098   6.201
  216   1HG1  VAL  34          1HG1      VAL  34  -0.453  -9.205   9.098
  217   2HG1  VAL  34          2HG1      VAL  34  -0.566  -8.150   7.695
  218   3HG1  VAL  34          3HG1      VAL  34   0.861  -9.150   7.931
  219   1HG2  VAL  34          1HG2      VAL  34   0.769 -11.615   7.603
  220   2HG2  VAL  34          2HG2      VAL  34  -0.725 -12.392   7.110
  221   3HG2  VAL  34          3HG2      VAL  34  -0.552 -11.777   8.745
  222    H    ALA  35           H        ALA  35  -2.500  -8.561   9.306
  223    HA   ALA  35           HA       ALA  35  -2.892 -10.475  11.390
  224   1HB   ALA  35          1HB       ALA  35  -2.834  -7.430  11.426
  225   2HB   ALA  35          2HB       ALA  35  -1.466  -8.484  11.743
  226   3HB   ALA  35          3HB       ALA  35  -2.807  -8.426  12.873
  227    H    GLN  36           H        GLN  36  -4.917 -10.454   9.530
  228    HA   GLN  36           HA       GLN  36  -7.218 -10.498   9.243
  229   1HB   GLN  36          2HB       GLN  36  -7.259 -10.451  12.284
  230   2HB   GLN  36          1HB       GLN  36  -8.581 -10.925  11.249
  231   1HG   GLN  36          2HG       GLN  36  -7.205 -12.799  10.296
  232   2HG   GLN  36          1HG       GLN  36  -5.870 -12.352  11.349
  233   1HE2  GLN  36          1HE2      GLN  36  -8.916 -14.025  11.196
  234   2HE2  GLN  36          2HE2      GLN  36  -8.942 -14.543  12.813
  235    H    ARG  37           H        ARG  37  -5.805  -7.745  10.174
  236    HA   ARG  37           HA       ARG  37  -8.275  -6.259   9.771
  237   1HB   ARG  37          2HB       ARG  37  -7.970  -7.001  12.325
  238   2HB   ARG  37          1HB       ARG  37  -6.787  -5.719  12.361
  239   1HG   ARG  37          2HG       ARG  37  -8.847  -4.752  13.121
  240   2HG   ARG  37          1HG       ARG  37  -8.624  -4.158  11.481
  241   1HD   ARG  37          2HD       ARG  37 -10.103  -6.073  10.637
  242   2HD   ARG  37          1HD       ARG  37 -10.290  -6.582  12.302
  243    HE   ARG  37           HE       ARG  37 -11.027  -3.775  11.809
  244   1HH1  ARG  37          2HH1      ARG  37 -12.103  -7.074  11.952
  245   2HH1  ARG  37          1HH1      ARG  37 -13.756  -6.631  12.217
  246   1HH2  ARG  37          1HH2      ARG  37 -13.111  -3.212  12.145
  247   2HH2  ARG  37          2HH2      ARG  37 -14.339  -4.418  12.321
  248    H    ARG  38           H        ARG  38  -5.036  -5.932  11.127
  249    HA   ARG  38           HA       ARG  38  -4.548  -3.388   9.807
  250   1HB   ARG  38          2HB       ARG  38  -2.796  -5.166  11.527
  251   2HB   ARG  38          1HB       ARG  38  -2.367  -3.568  10.972
  252   1HG   ARG  38          2HG       ARG  38  -4.357  -2.624  12.174
  253   2HG   ARG  38          1HG       ARG  38  -4.778  -4.234  12.726
  254   1HD   ARG  38          2HD       ARG  38  -3.533  -3.005  14.487
  255   2HD   ARG  38          1HD       ARG  38  -2.599  -4.395  13.933
  256    HE   ARG  38           HE       ARG  38  -1.895  -2.108  12.366
  257   1HH1  ARG  38          2HH1      ARG  38  -1.587  -3.414  15.560
  258   2HH1  ARG  38          1HH1      ARG  38  -0.094  -2.594  15.875
  259   1HH2  ARG  38          1HH2      ARG  38  -0.011  -1.060  12.738
  260   2HH2  ARG  38          2HH2      ARG  38   0.814  -1.238  14.251
  261    H    CYS  39           H        CYS  39  -3.360  -2.990   8.133
  262    HA   CYS  39           HA       CYS  39  -2.381  -5.217   6.459
  263   1HB   CYS  39          2HB       CYS  39  -2.843  -2.290   5.875
  264   2HB   CYS  39          1HB       CYS  39  -2.340  -3.481   4.694
  265    H    GLU  40           H        GLU  40  -0.412  -5.349   5.600
  266    HA   GLU  40           HA       GLU  40   1.719  -3.460   6.202
  267   1HB   GLU  40          2HB       GLU  40   1.533  -4.727   8.339
  268   2HB   GLU  40          1HB       GLU  40   1.786  -6.225   7.462
  269   1HG   GLU  40          2HG       GLU  40   4.015  -5.381   6.690
  270   2HG   GLU  40          1HG       GLU  40   3.750  -3.888   7.570
  271    H    ASP  41           H        ASP  41   3.341  -3.639   4.810
  272    HA   ASP  41           HA       ASP  41   3.195  -5.638   2.650
  273   1HB   ASP  41          2HB       ASP  41   3.242  -3.358   2.028
  274   2HB   ASP  41          1HB       ASP  41   4.654  -2.999   3.001
  275    H    ILE  42           H        ILE  42   5.277  -6.312   1.783
  276    HA   ILE  42           HA       ILE  42   6.755  -7.759   3.706
  277    HB   ILE  42           HB       ILE  42   7.379  -7.116   0.774
  278   1HG1  ILE  42          2HG1      ILE  42   6.682  -9.472   0.285
  279   2HG1  ILE  42          1HG1      ILE  42   6.215  -9.673   1.956
  280   1HG2  ILE  42          1HG2      ILE  42   8.706  -9.206   2.544
  281   2HG2  ILE  42          2HG2      ILE  42   9.471  -7.754   1.918
  282   3HG2  ILE  42          3HG2      ILE  42   8.975  -9.020   0.819
  283   1HD1  ILE  42          1HD1      ILE  42   4.261  -9.251   0.520
  284   2HD1  ILE  42          2HD1      ILE  42   4.941  -7.716   0.008
  285   3HD1  ILE  42          3HD1      ILE  42   4.427  -7.954   1.672
  286    H    ASP  43           H        ASP  43   9.111  -7.364   4.201
  287    HA   ASP  43           HA       ASP  43   9.784  -4.435   4.146
  288   1HB   ASP  43          2HB       ASP  43   9.461  -5.671   6.353
  289   2HB   ASP  43          1HB       ASP  43  10.888  -6.609   5.958
  290    H    GLU  44           H        GLU  44  11.101  -3.958   2.611
  291    HA   GLU  44           HA       GLU  44  12.716  -5.861   1.200
  292   1HB   GLU  44          2HB       GLU  44  12.914  -2.862   1.256
  293   2HB   GLU  44          1HB       GLU  44  13.552  -3.898  -0.001
  294   1HG   GLU  44          2HG       GLU  44  11.568  -2.905  -0.802
  295   2HG   GLU  44          1HG       GLU  44  11.160  -4.584  -0.543
  296    H    CYS  45           H        CYS  45  13.282  -3.688   3.899
  297    HA   CYS  45           HA       CYS  45  16.093  -3.629   3.721
  298   1HB   CYS  45          2HB       CYS  45  14.254  -3.201   6.080
  299   2HB   CYS  45          1HB       CYS  45  15.948  -3.031   6.169
  300    H    GLN  46           H        GLN  46  14.117  -5.219   6.031
  301    HA   GLN  46           HA       GLN  46  15.705  -6.775   7.537
  302   1HB   GLN  46          2HB       GLN  46  13.073  -7.504   6.241
  303   2HB   GLN  46          1HB       GLN  46  13.791  -8.461   7.506
  304   1HG   GLN  46          2HG       GLN  46  13.127  -5.488   7.754
  305   2HG   GLN  46          1HG       GLN  46  12.105  -6.771   8.385
  306   1HE2  GLN  46          1HE2      GLN  46  13.330  -8.303   9.973
  307   2HE2  GLN  46          2HE2      GLN  46  14.438  -7.570  11.030
  308    H    ASP  47           H        ASP  47  14.884  -7.643   4.240
  309    HA   ASP  47           HA       ASP  47  16.186 -10.175   4.392
  310   1HB   ASP  47          2HB       ASP  47  14.312  -9.795   2.813
  311   2HB   ASP  47          1HB       ASP  47  15.269  -8.597   1.955
  312    HA   PRO  48           HA       PRO  48  20.200  -8.247   3.648
  313   1HB   PRO  48          2HB       PRO  48  21.755 -10.436   3.837
  314   2HB   PRO  48          1HB       PRO  48  20.917  -9.801   5.232
  315   1HG   PRO  48          2HG       PRO  48  20.119 -12.088   3.477
  316   2HG   PRO  48          1HG       PRO  48  20.112 -11.976   5.246
  317   1HD   PRO  48          2HD       PRO  48  17.890 -11.615   3.692
  318   2HD   PRO  48          1HD       PRO  48  18.106 -10.891   5.298
  319    H    ASP  49           H        ASP  49  19.301  -7.769   1.488
  320    HA   ASP  49           HA       ASP  49  20.998  -8.974  -0.605
  321   1HB   ASP  49          2HB       ASP  49  18.840 -10.195  -0.730
  322   2HB   ASP  49          1HB       ASP  49  17.985  -8.657  -0.758
  323    H    THR  50           H        THR  50  18.700  -6.539   0.415
  324    HA   THR  50           HA       THR  50  19.192  -4.644  -1.654
  325    HB   THR  50           HB       THR  50  17.957  -3.100   0.003
  326    HG1  THR  50           1HG      THR  50  17.138  -4.632   1.773
  327   1HG2  THR  50          1HG2      THR  50  16.739  -5.901  -0.328
  328   2HG2  THR  50          2HG2      THR  50  16.672  -4.659  -1.567
  329   3HG2  THR  50          3HG2      THR  50  15.848  -4.415  -0.040
  330    H    CYS  51           H        CYS  51  19.796  -3.610   1.664
  331    HA   CYS  51           HA       CYS  51  22.183  -2.152   0.782
  332   1HB   CYS  51          2HB       CYS  51  20.936  -2.385   3.523
  333   2HB   CYS  51          1HB       CYS  51  21.940  -1.093   2.916
  334    H    SER  52           H        SER  52  24.304  -2.381   2.100
  335    HA   SER  52           HA       SER  52  25.055  -5.133   2.235
  336   1HB   SER  52          2HB       SER  52  26.686  -3.330   1.751
  337   2HB   SER  52          1HB       SER  52  26.419  -2.637   3.354
  338    HG   SER  52           HG       SER  52  27.101  -5.354   3.016
  339    H    GLN  53           H        GLN  53  24.186  -2.762   4.671
  340    HA   GLN  53           HA       GLN  53  23.729  -4.939   6.651
  341   1HB   GLN  53          2HB       GLN  53  25.258  -2.361   7.108
  342   2HB   GLN  53          1HB       GLN  53  24.705  -3.379   8.420
  343   1HG   GLN  53          2HG       GLN  53  26.547  -4.272   6.190
  344   2HG   GLN  53          1HG       GLN  53  27.088  -3.782   7.786
  345   1HE2  GLN  53          1HE2      GLN  53  25.993  -5.101   9.645
  346   2HE2  GLN  53          2HE2      GLN  53  25.773  -6.762   9.370
  347    H    LEU  54           H        LEU  54  23.537  -1.626   7.727
  348    HA   LEU  54           HA       LEU  54  20.804  -1.978   8.370
  349   1HB   LEU  54          2HB       LEU  54  22.465   0.533   8.240
  350   2HB   LEU  54          1HB       LEU  54  20.852   0.432   8.908
  351    HG   LEU  54           HG       LEU  54  23.360  -0.845   9.998
  352   1HD1  LEU  54          1HD1      LEU  54  21.286   1.142  10.993
  353   2HD1  LEU  54          2HD1      LEU  54  22.865   1.586  10.404
  354   3HD1  LEU  54          3HD1      LEU  54  22.721   0.648  11.889
  355   1HD2  LEU  54          1HD2      LEU  54  21.892  -1.750  11.777
  356   2HD2  LEU  54          2HD2      LEU  54  21.394  -2.423  10.238
  357   3HD2  LEU  54          3HD2      LEU  54  20.471  -1.110  10.956
  358    H    CYS  55           H        CYS  55  19.230  -0.670   8.038
  359    HA   CYS  55           HA       CYS  55  18.818   0.820   5.552
  360   1HB   CYS  55          2HB       CYS  55  18.785  -1.523   4.753
  361   2HB   CYS  55          1HB       CYS  55  17.600  -1.952   5.907
  362    H    VAL  56           H        VAL  56  16.350   1.240   5.317
  363    HA   VAL  56           HA       VAL  56  14.901   1.370   7.883
  364    HB   VAL  56           HB       VAL  56  16.239   3.438   7.892
  365   1HG1  VAL  56          1HG1      VAL  56  16.061   5.171   6.149
  366   2HG1  VAL  56          2HG1      VAL  56  15.054   4.137   5.166
  367   3HG1  VAL  56          3HG1      VAL  56  16.724   3.697   5.479
  368   1HG2  VAL  56          1HG2      VAL  56  13.343   4.017   7.162
  369   2HG2  VAL  56          2HG2      VAL  56  14.417   5.125   7.995
  370   3HG2  VAL  56          3HG2      VAL  56  13.951   3.616   8.760
  371    H    ASN  57           H        ASN  57  13.274   0.226   7.244
  372    HA   ASN  57           HA       ASN  57  12.054   0.460   4.593
  373   1HB   ASN  57          2HB       ASN  57  12.353  -1.739   5.681
  374   2HB   ASN  57          1HB       ASN  57  11.292  -1.236   6.986
  375   1HD2  ASN  57          1HD2      ASN  57   9.428  -2.455   6.703
  376   2HD2  ASN  57          2HD2      ASN  57   8.559  -2.574   5.249
  377    H    LEU  58           H        LEU  58   9.848   0.605   4.336
  378    HA   LEU  58           HA       LEU  58   7.908   1.779   6.112
  379   1HB   LEU  58          2HB       LEU  58   7.743   4.034   5.162
  380   2HB   LEU  58          1HB       LEU  58   9.324   3.819   5.838
  381    HG   LEU  58           HG       LEU  58   8.867   3.443   2.844
  382   1HD1  LEU  58          1HD1      LEU  58   9.731   5.958   4.358
  383   2HD1  LEU  58          2HD1      LEU  58   8.188   5.757   3.542
  384   3HD1  LEU  58          3HD1      LEU  58   9.673   5.777   2.609
  385   1HD2  LEU  58          1HD2      LEU  58  11.310   4.124   4.544
  386   2HD2  LEU  58          2HD2      LEU  58  11.295   3.943   2.807
  387   3HD2  LEU  58          3HD2      LEU  58  11.002   2.556   3.823
  388    H    GLU  59           H        GLU  59   6.699   3.208   3.981
  389    HA   GLU  59           HA       GLU  59   5.335   1.011   2.689
  390   1HB   GLU  59          2HB       GLU  59   4.214   3.210   3.413
  391   2HB   GLU  59          1HB       GLU  59   5.099   4.014   2.130
  392   1HG   GLU  59          2HG       GLU  59   3.934   2.612   0.426
  393   2HG   GLU  59          1HG       GLU  59   3.119   1.728   1.702
  394    H    GLY  60           H        GLY  60   6.871   0.000   1.919
  395   1HA   GLY  60          2HA       GLY  60   8.056  -0.963   0.297
  396   2HA   GLY  60          1HA       GLY  60   6.993  -0.103  -0.806
  397    H    GLY  61           H        GLY  61   8.317   2.280   0.844
  398   1HA   GLY  61          2HA       GLY  61  10.302   2.940  -1.226
  399   2HA   GLY  61          1HA       GLY  61   9.713   4.011   0.033
  400    H    TYR  62           H        TYR  62  10.910   0.997   1.003
  401    HA   TYR  62           HA       TYR  62  12.695   1.701   2.925
  402   1HB   TYR  62          2HB       TYR  62  13.861  -0.397   2.675
  403   2HB   TYR  62          1HB       TYR  62  12.202  -0.686   2.191
  404    HD1  TYR  62           1HD      TYR  62  15.546  -1.116   1.266
  405    HD2  TYR  62           2HD      TYR  62  11.755  -0.247  -0.463
  406    HE1  TYR  62           1HE      TYR  62  16.381  -1.831  -0.910
  407    HE2  TYR  62           2HE      TYR  62  12.593  -0.962  -2.644
  408    HH   TYR  62           HH       TYR  62  14.707  -1.226  -3.814
  409    H    LYS  63           H        LYS  63  14.635   2.688   3.201
  410    HA   LYS  63           HA       LYS  63  16.341   3.184   0.817
  411   1HB   LYS  63          2HB       LYS  63  15.979   4.874   3.292
  412   2HB   LYS  63          1HB       LYS  63  16.954   5.236   1.924
  413   1HG   LYS  63          2HG       LYS  63  13.914   5.021   1.902
  414   2HG   LYS  63          1HG       LYS  63  14.807   6.517   1.852
  415   1HD   LYS  63          2HD       LYS  63  14.877   4.386  -0.336
  416   2HD   LYS  63          1HD       LYS  63  13.975   5.881  -0.400
  417   1HE   LYS  63          2HE       LYS  63  16.095   7.181  -0.257
  418   2HE   LYS  63          1HE       LYS  63  17.015   5.681  -0.202
  419   1HZ   LYS  63          1HZ       LYS  63  15.133   6.217  -2.397
  420   2HZ   LYS  63          2HZ       LYS  63  16.455   5.151  -2.355
  421   3HZ   LYS  63          3HZ       LYS  63  16.717   6.829  -2.425
  422    H    CYS  64           H        CYS  64  18.609   3.350   1.422
  423    HA   CYS  64           HA       CYS  64  19.291   1.339   3.446
  424   1HB   CYS  64          2HB       CYS  64  20.914   2.737   1.345
  425   2HB   CYS  64          1HB       CYS  64  21.577   1.600   2.469
  426    H    GLN  65           H        GLN  65  21.155   1.526   4.644
  427    HA   GLN  65           HA       GLN  65  21.912   4.174   5.797
  428   1HB   GLN  65          2HB       GLN  65  20.998   1.761   7.364
  429   2HB   GLN  65          1HB       GLN  65  21.625   3.226   8.087
  430   1HG   GLN  65          2HG       GLN  65  19.704   4.498   7.064
  431   2HG   GLN  65          1HG       GLN  65  19.037   2.975   6.491
  432   1HE2  GLN  65          1HE2      GLN  65  18.120   4.986   8.636
  433   2HE2  GLN  65          2HE2      GLN  65  17.819   4.015   9.997
  434    H    CYS  66           H        CYS  66  23.434   2.931   7.820
  435    HA   CYS  66           HA       CYS  66  25.365   1.180   6.446
  436   1HB   CYS  66          2HB       CYS  66  25.938   3.775   7.770
  437   2HB   CYS  66          1HB       CYS  66  27.101   2.733   7.185
  438    H    GLU  67           H        GLU  67  26.804   0.267   7.648
  439    HA   GLU  67           HA       GLU  67  25.994  -0.325  10.430
  440   1HB   GLU  67          2HB       GLU  67  26.580  -2.102   8.767
  441   2HB   GLU  67          1HB       GLU  67  28.222  -1.513   8.700
  442   1HG   GLU  67          2HG       GLU  67  28.051  -3.478  10.206
  443   2HG   GLU  67          1HG       GLU  67  28.503  -2.072  11.143
  444    H    GLU  68           H        GLU  68  26.670   2.168  10.344
  445    HA   GLU  68           HA       GLU  68  27.982   3.827  11.267
  446   1HB   GLU  68          2HB       GLU  68  29.401   1.441  12.546
  447   2HB   GLU  68          1HB       GLU  68  29.680   3.099  12.985
  448   1HG   GLU  68          2HG       GLU  68  27.244   3.315  13.596
  449   2HG   GLU  68          1HG       GLU  68  26.977   1.651  13.101
  450    H    GLY  69           H        GLY  69  30.534   1.458  10.942
  451   1HA   GLY  69          2HA       GLY  69  32.536   3.158  10.025
  452   2HA   GLY  69          1HA       GLY  69  32.580   1.413   9.926
  453    H    PHE  70           H        PHE  70  29.982   1.813   8.201
  454    HA   PHE  70           HA       PHE  70  31.385   1.614   5.743
  455   1HB   PHE  70          2HB       PHE  70  28.456   1.832   6.307
  456   2HB   PHE  70          1HB       PHE  70  29.108   1.563   4.724
  457    HD1  PHE  70           1HD      PHE  70  27.349  -0.279   4.930
  458    HD2  PHE  70           2HD      PHE  70  31.024  -0.281   7.083
  459    HE1  PHE  70           1HE      PHE  70  27.187  -2.679   5.235
  460    HE2  PHE  70           2HE      PHE  70  30.857  -2.706   7.387
  461    HZ   PHE  70           HZ       PHE  70  28.935  -3.919   6.455
  462    H    GLN  71           H        GLN  71  30.886   2.838   3.799
  463    HA   GLN  71           HA       GLN  71  30.059   5.615   4.119
  464   1HB   GLN  71          2HB       GLN  71  32.702   4.525   3.245
  465   2HB   GLN  71          1HB       GLN  71  32.102   5.880   2.355
  466   1HG   GLN  71          2HG       GLN  71  32.409   5.817   5.403
  467   2HG   GLN  71          1HG       GLN  71  33.528   6.618   4.301
  468   1HE2  GLN  71          1HE2      GLN  71  32.153   8.147   6.236
  469   2HE2  GLN  71          2HE2      GLN  71  31.026   9.151   5.459
  470    H    LEU  72           H        LEU  72  30.140   6.625   1.921
  471    HA   LEU  72           HA       LEU  72  28.246   5.077   0.294
  472   1HB   LEU  72          2HB       LEU  72  27.954   7.516   0.659
  473   2HB   LEU  72          1HB       LEU  72  29.435   7.823  -0.221
  474    HG   LEU  72           HG       LEU  72  28.419   6.692  -2.248
  475   1HD1  LEU  72          1HD1      LEU  72  25.867   6.677  -0.583
  476   2HD1  LEU  72          2HD1      LEU  72  26.744   5.248  -1.103
  477   3HD1  LEU  72          3HD1      LEU  72  25.976   6.280  -2.290
  478   1HD2  LEU  72          1HD2      LEU  72  26.799   9.000  -1.094
  479   2HD2  LEU  72          2HD2      LEU  72  26.869   8.555  -2.794
  480   3HD2  LEU  72          3HD2      LEU  72  28.308   9.156  -1.983
  481    H    ASP  73           H        ASP  73  29.080   3.507  -0.862
  482    HA   ASP  73           HA       ASP  73  31.688   3.668  -2.183
  483   1HB   ASP  73          2HB       ASP  73  30.781   1.545  -1.237
  484   2HB   ASP  73          1HB       ASP  73  29.500   1.539  -2.440
  485    HA   PRO  74           HA       PRO  74  29.792   5.473  -5.840
  486   1HB   PRO  74          2HB       PRO  74  31.929   5.648  -7.429
  487   2HB   PRO  74          1HB       PRO  74  31.833   6.597  -5.965
  488   1HG   PRO  74          2HG       PRO  74  33.278   4.011  -6.397
  489   2HG   PRO  74          1HG       PRO  74  33.840   5.496  -5.609
  490   1HD   PRO  74          2HD       PRO  74  32.890   3.337  -4.233
  491   2HD   PRO  74          1HD       PRO  74  32.793   5.004  -3.631
  492    H    HIS  75           H        HIS  75  29.486   5.045  -8.076
  493    HA   HIS  75           HA       HIS  75  28.831   3.742  -9.886
  494   1HB   HIS  75          2HB       HIS  75  30.966   1.795  -8.885
  495   2HB   HIS  75          1HB       HIS  75  30.234   1.801 -10.481
  496    HD1  HIS  75           1HD      HIS  75  32.558   3.825  -8.408
  497    HD2  HIS  75           2HD      HIS  75  31.226   3.745 -12.265
  498    HE1  HIS  75           1HE      HIS  75  33.986   5.394  -9.668
  499    H    THR  76           H        THR  76  28.276   2.939  -6.846
  500    HA   THR  76           HA       THR  76  26.314   0.801  -7.501
  501    HB   THR  76           HB       THR  76  26.958  -0.375  -5.341
  502    HG1  THR  76           1HG      THR  76  28.874   0.414  -4.382
  503   1HG2  THR  76          1HG2      THR  76  29.444   0.132  -7.100
  504   2HG2  THR  76          2HG2      THR  76  28.219  -1.059  -7.508
  505   3HG2  THR  76          3HG2      THR  76  29.187  -1.253  -6.055
  506    H    LYS  77           H        LYS  77  27.518   3.132  -5.321
  507    HA   LYS  77           HA       LYS  77  26.562   4.737  -3.925
  508   1HB   LYS  77          2HB       LYS  77  24.061   3.876  -5.163
  509   2HB   LYS  77          1HB       LYS  77  24.228   5.326  -4.208
  510   1HG   LYS  77          2HG       LYS  77  25.970   6.149  -5.833
  511   2HG   LYS  77          1HG       LYS  77  25.695   4.729  -6.825
  512   1HD   LYS  77          2HD       LYS  77  23.297   5.391  -7.097
  513   2HD   LYS  77          1HD       LYS  77  23.598   6.830  -6.137
  514   1HE   LYS  77          2HE       LYS  77  23.703   7.366  -8.552
  515   2HE   LYS  77          1HE       LYS  77  25.281   7.597  -7.815
  516   1HZ   LYS  77          1HZ       LYS  77  24.527   5.050  -9.098
  517   2HZ   LYS  77          2HZ       LYS  77  26.079   5.635  -8.736
  518   3HZ   LYS  77          3HZ       LYS  77  25.176   6.342  -9.989
  519    H    ALA  78           H        ALA  78  26.358   1.592  -3.571
  520    HA   ALA  78           HA       ALA  78  24.416   1.331  -1.383
  521   1HB   ALA  78          1HB       ALA  78  26.568  -0.576  -2.418
  522   2HB   ALA  78          2HB       ALA  78  24.895  -0.568  -2.954
  523   3HB   ALA  78          3HB       ALA  78  25.285  -1.013  -1.299
  524    H    CYS  79           H        CYS  79  25.032   1.182   0.859
  525    HA   CYS  79           HA       CYS  79  27.650   2.441   1.399
  526   1HB   CYS  79          2HB       CYS  79  25.440   2.874   2.790
  527   2HB   CYS  79          1HB       CYS  79  25.874   1.369   3.580
  528    H    LYS  80           H        LYS  80  29.328   1.432   2.353
  529    HA   LYS  80           HA       LYS  80  29.134  -1.286   3.398
  530   1HB   LYS  80          2HB       LYS  80  30.710  -2.234   1.868
  531   2HB   LYS  80          1HB       LYS  80  29.171  -1.893   1.128
  532   1HG   LYS  80          2HG       LYS  80  30.750  -1.242  -0.540
  533   2HG   LYS  80          1HG       LYS  80  30.135   0.225   0.165
  534   1HD   LYS  80          2HD       LYS  80  32.553   0.382  -0.244
  535   2HD   LYS  80          1HD       LYS  80  32.256   0.533   1.455
  536   1HE   LYS  80          2HE       LYS  80  34.156  -0.992   1.013
  537   2HE   LYS  80          1HE       LYS  80  32.847  -1.928   1.716
  538   1HZ   LYS  80          1HZ       LYS  80  32.335  -2.870  -0.307
  539   2HZ   LYS  80          2HZ       LYS  80  34.030  -2.782  -0.372
  540   3HZ   LYS  80          3HZ       LYS  80  33.087  -1.639  -1.203
  541    H    ALA  81           H        ALA  81  31.338  -2.026   4.158
  542    HA   ALA  81           HA       ALA  81  32.665  -0.466   5.923
  543   1HB   ALA  81          1HB       ALA  81  33.965  -2.516   4.114
  544   2HB   ALA  81          2HB       ALA  81  33.122  -2.840   5.622
  545   3HB   ALA  81          3HB       ALA  81  34.634  -1.944   5.635
  546    H    VAL  82           H        VAL  82  33.455   1.546   5.803
  547    HA   VAL  82           HA       VAL  82  34.299   2.938   3.585
  548    HB   VAL  82           HB       VAL  82  33.947   3.965   5.814
  549   1HG1  VAL  82          1HG1      VAL  82  36.635   2.701   6.559
  550   2HG1  VAL  82          2HG1      VAL  82  35.091   2.199   7.206
  551   3HG1  VAL  82          3HG1      VAL  82  35.711   3.799   7.568
  552   1HG2  VAL  82          1HG2      VAL  82  35.825   5.578   5.783
  553   2HG2  VAL  82          2HG2      VAL  82  35.251   5.249   4.158
  554   3HG2  VAL  82          3HG2      VAL  82  36.740   4.517   4.728
  Start of MODEL   28
    1    H    GLY   1           H        GLY   1 -26.539   1.987   0.204
    2   1HA   GLY   1          2HA       GLY   1 -24.408   3.881   0.166
    3   2HA   GLY   1          1HA       GLY   1 -25.935   4.755   0.262
    4    H    THR   2           H        THR   2 -25.074   1.639   1.654
    5    HA   THR   2           HA       THR   2 -26.264   2.040   4.139
    6    HB   THR   2           HB       THR   2 -23.924   0.221   3.465
    7    HG1  THR   2           1HG      THR   2 -25.641  -1.198   2.943
    8   1HG2  THR   2          1HG2      THR   2 -24.543   0.214   5.956
    9   2HG2  THR   2          2HG2      THR   2 -24.896  -1.308   5.168
   10   3HG2  THR   2          3HG2      THR   2 -26.191  -0.169   5.494
   11    H    ASN   3           H        ASN   3 -25.211   2.101   6.214
   12    HA   ASN   3           HA       ASN   3 -23.040   4.104   6.316
   13   1HB   ASN   3          2HB       ASN   3 -25.270   4.491   7.530
   14   2HB   ASN   3          1HB       ASN   3 -24.971   3.052   8.479
   15   1HD2  ASN   3          1HD2      ASN   3 -23.785   6.375   7.928
   16   2HD2  ASN   3          2HD2      ASN   3 -22.997   6.509   9.426
   17    H    GLU   4           H        GLU   4 -22.624   1.452   5.634
   18    HA   GLU   4           HA       GLU   4 -21.271   0.103   7.827
   19   1HB   GLU   4          2HB       GLU   4 -20.690  -1.533   6.059
   20   2HB   GLU   4          1HB       GLU   4 -22.396  -1.167   5.981
   21   1HG   GLU   4          2HG       GLU   4 -21.892   0.489   4.111
   22   2HG   GLU   4          1HG       GLU   4 -20.214   0.001   4.183
   23    H    CYS   5           H        CYS   5 -20.484   2.008   4.990
   24    HA   CYS   5           HA       CYS   5 -17.656   1.850   5.457
   25   1HB   CYS   5          2HB       CYS   5 -18.903   2.005   3.187
   26   2HB   CYS   5          1HB       CYS   5 -19.040   3.708   3.520
   27    H    LEU   6           H        LEU   6 -20.252   4.121   5.658
   28    HA   LEU   6           HA       LEU   6 -19.011   6.506   6.276
   29   1HB   LEU   6          2HB       LEU   6 -21.600   5.391   7.346
   30   2HB   LEU   6          1HB       LEU   6 -21.164   7.077   7.375
   31    HG   LEU   6           HG       LEU   6 -21.609   5.334   4.891
   32   1HD1  LEU   6          1HD1      LEU   6 -23.504   6.866   4.467
   33   2HD1  LEU   6          2HD1      LEU   6 -23.151   7.724   5.961
   34   3HD1  LEU   6          3HD1      LEU   6 -23.694   6.057   6.010
   35   1HD2  LEU   6          1HD2      LEU   6 -19.804   7.024   4.429
   36   2HD2  LEU   6          2HD2      LEU   6 -20.866   8.302   4.999
   37   3HD2  LEU   6          3HD2      LEU   6 -21.267   7.400   3.547
   38    H    ASP   7           H        ASP   7 -19.962   3.916   8.433
   39    HA   ASP   7           HA       ASP   7 -18.656   5.228  10.796
   40   1HB   ASP   7          2HB       ASP   7 -21.036   4.207  10.907
   41   2HB   ASP   7          1HB       ASP   7 -20.272   2.654  10.601
   42    H    ASN   8           H        ASN   8 -17.921   2.831  12.014
   43    HA   ASN   8           HA       ASN   8 -15.350   2.354  11.125
   44   1HB   ASN   8          2HB       ASN   8 -17.210   0.571  12.511
   45   2HB   ASN   8          1HB       ASN   8 -15.482   0.289  12.484
   46   1HD2  ASN   8          1HD2      ASN   8 -14.114   1.876  13.627
   47   2HD2  ASN   8          2HD2      ASN   8 -14.769   2.882  14.827
   48    H    ASN   9           H        ASN   9 -14.868   1.719   9.140
   49    HA   ASN   9           HA       ASN   9 -16.283   0.740   7.048
   50   1HB   ASN   9          2HB       ASN   9 -13.898   1.467   7.112
   51   2HB   ASN   9          1HB       ASN   9 -13.456  -0.091   7.776
   52   1HD2  ASN   9          1HD2      ASN   9 -14.140  -2.052   6.278
   53   2HD2  ASN   9          2HD2      ASN   9 -13.951  -1.783   4.619
   54    H    GLY  10           H        GLY  10 -17.889  -0.694   7.878
   55   1HA   GLY  10          2HA       GLY  10 -18.878  -2.763   8.183
   56   2HA   GLY  10          1HA       GLY  10 -17.491  -3.401   7.317
   57    H    GLY  11           H        GLY  11 -16.502  -1.716   9.998
   58   1HA   GLY  11          2HA       GLY  11 -16.713  -2.745  12.378
   59   2HA   GLY  11          1HA       GLY  11 -15.986  -4.163  11.613
   60    H    CYS  12           H        CYS  12 -14.328  -2.740   9.816
   61    HA   CYS  12           HA       CYS  12 -12.108  -1.963  11.590
   62   1HB   CYS  12          2HB       CYS  12 -10.793  -2.337   9.569
   63   2HB   CYS  12          1HB       CYS  12 -11.878  -3.682   9.827
   64    H    SER  13           H        SER  13 -11.043  -0.513   9.125
   65    HA   SER  13           HA       SER  13 -12.655   1.845   8.701
   66   1HB   SER  13          2HB       SER  13 -11.087   3.430   9.914
   67   2HB   SER  13          1HB       SER  13 -11.844   2.302  11.047
   68    HG   SER  13           HG       SER  13  -9.299   2.077   9.815
   69    H    HIS  14           H        HIS  14 -11.530  -0.025   7.037
   70    HA   HIS  14           HA       HIS  14  -9.327   1.421   5.673
   71   1HB   HIS  14          2HB       HIS  14  -9.943  -1.542   5.923
   72   2HB   HIS  14          1HB       HIS  14  -8.624  -0.870   5.006
   73    HD1  HIS  14           1HD      HIS  14  -9.693  -1.499   8.367
   74    HD2  HIS  14           2HD      HIS  14  -6.517   0.348   6.624
   75    HE1  HIS  14           1HE      HIS  14  -8.018  -1.150  10.180
   76    H    VAL  15           H        VAL  15 -10.393  -1.201   3.925
   77    HA   VAL  15           HA       VAL  15 -11.832   0.535   1.985
   78    HB   VAL  15           HB       VAL  15 -10.677  -2.258   1.682
   79   1HG1  VAL  15          1HG1      VAL  15 -11.135  -1.978  -0.762
   80   2HG1  VAL  15          2HG1      VAL  15 -11.923  -0.442  -0.441
   81   3HG1  VAL  15          3HG1      VAL  15 -12.619  -1.934   0.158
   82   1HG2  VAL  15          1HG2      VAL  15  -9.711   0.406   0.599
   83   2HG2  VAL  15          2HG2      VAL  15  -9.010  -1.165   0.237
   84   3HG2  VAL  15          3HG2      VAL  15  -8.940  -0.529   1.874
   85    H    CYS  16           H        CYS  16 -14.005   0.552   2.221
   86    HA   CYS  16           HA       CYS  16 -15.401  -1.738   3.388
   87   1HB   CYS  16          2HB       CYS  16 -17.348  -0.344   3.131
   88   2HB   CYS  16          1HB       CYS  16 -16.102   0.568   3.902
   89    H    ASN  17           H        ASN  17 -14.715  -3.266   1.793
   90    HA   ASN  17           HA       ASN  17 -15.663  -2.874  -0.980
   91   1HB   ASN  17          2HB       ASN  17 -13.521  -3.773  -0.775
   92   2HB   ASN  17          1HB       ASN  17 -13.916  -4.892   0.480
   93   1HD2  ASN  17          1HD2      ASN  17 -14.316  -7.004  -0.320
   94   2HD2  ASN  17          2HD2      ASN  17 -14.677  -7.383  -1.929
   95    H    ASP  18           H        ASP  18 -17.606  -2.666  -0.521
   96    HA   ASP  18           HA       ASP  18 -19.480  -4.017   0.986
   97   1HB   ASP  18          2HB       ASP  18 -19.935  -1.907  -0.136
   98   2HB   ASP  18          1HB       ASP  18 -19.877  -2.678  -1.711
   99    H    LEU  19           H        LEU  19 -19.237  -6.124   1.042
  100    HA   LEU  19           HA       LEU  19 -19.422  -7.936  -1.150
  101   1HB   LEU  19          2HB       LEU  19 -18.424  -8.151   1.293
  102   2HB   LEU  19          1HB       LEU  19 -20.077  -8.381   1.773
  103    HG   LEU  19           HG       LEU  19 -20.271 -10.384   0.309
  104   1HD1  LEU  19          1HD1      LEU  19 -18.478  -9.675  -1.308
  105   2HD1  LEU  19          2HD1      LEU  19 -18.150 -11.264  -0.642
  106   3HD1  LEU  19          3HD1      LEU  19 -17.291  -9.852  -0.028
  107   1HD2  LEU  19          1HD2      LEU  19 -19.694 -10.493   2.699
  108   2HD2  LEU  19          2HD2      LEU  19 -17.990 -10.352   2.314
  109   3HD2  LEU  19          3HD2      LEU  19 -18.893 -11.781   1.825
  110    H    LYS  20           H        LYS  20 -21.356  -9.636  -0.981
  111    HA   LYS  20           HA       LYS  20 -23.802  -8.097  -1.319
  112   1HB   LYS  20          2HB       LYS  20 -24.802 -10.311  -1.870
  113   2HB   LYS  20          1HB       LYS  20 -23.276 -10.048  -2.692
  114   1HG   LYS  20          2HG       LYS  20 -22.095 -11.494  -1.071
  115   2HG   LYS  20          1HG       LYS  20 -23.570 -11.713  -0.156
  116   1HD   LYS  20          2HD       LYS  20 -23.171 -13.690  -1.496
  117   2HD   LYS  20          1HD       LYS  20 -24.628 -12.895  -2.032
  118   1HE   LYS  20          2HE       LYS  20 -21.929 -12.647  -3.433
  119   2HE   LYS  20          1HE       LYS  20 -23.217 -13.731  -3.929
  120   1HZ   LYS  20          1HZ       LYS  20 -23.869 -12.067  -5.195
  121   2HZ   LYS  20          2HZ       LYS  20 -22.926 -10.923  -4.369
  122   3HZ   LYS  20          3HZ       LYS  20 -24.464 -11.343  -3.780
  123    H    ILE  21           H        ILE  21 -22.494 -10.399   1.035
  124    HA   ILE  21           HA       ILE  21 -24.172  -9.314   3.179
  125    HB   ILE  21           HB       ILE  21 -23.995 -12.254   2.377
  126   1HG1  ILE  21          2HG1      ILE  21 -26.420 -10.387   2.414
  127   2HG1  ILE  21          1HG1      ILE  21 -25.624 -10.999   0.977
  128   1HG2  ILE  21          1HG2      ILE  21 -25.377 -10.942   4.750
  129   2HG2  ILE  21          2HG2      ILE  21 -23.943 -11.957   4.825
  130   3HG2  ILE  21          3HG2      ILE  21 -25.477 -12.656   4.355
  131   1HD1  ILE  21          1HD1      ILE  21 -26.226 -13.312   1.569
  132   2HD1  ILE  21          2HD1      ILE  21 -27.649 -12.294   1.424
  133   3HD1  ILE  21          3HD1      ILE  21 -27.058 -12.746   3.009
  134    H    GLY  22           H        GLY  22 -22.585  -8.707   4.590
  135   1HA   GLY  22          2HA       GLY  22 -20.989  -9.121   6.253
  136   2HA   GLY  22          1HA       GLY  22 -20.589 -10.612   5.437
  137    H    TYR  23           H        TYR  23 -20.697  -7.296   4.579
  138    HA   TYR  23           HA       TYR  23 -18.897  -6.754   2.668
  139   1HB   TYR  23          2HB       TYR  23 -18.910  -5.029   5.124
  140   2HB   TYR  23          1HB       TYR  23 -18.706  -4.536   3.457
  141    HD1  TYR  23           1HD      TYR  23 -20.947  -4.237   5.897
  142    HD2  TYR  23           2HD      TYR  23 -20.852  -5.807   1.952
  143    HE1  TYR  23           1HE      TYR  23 -23.374  -3.922   5.712
  144    HE2  TYR  23           2HE      TYR  23 -23.271  -5.492   1.766
  145    HH   TYR  23           HH       TYR  23 -24.996  -3.598   3.331
  146    H    GLU  24           H        GLU  24 -16.786  -6.035   2.433
  147    HA   GLU  24           HA       GLU  24 -14.858  -7.316   4.262
  148   1HB   GLU  24          2HB       GLU  24 -14.612  -6.436   1.419
  149   2HB   GLU  24          1HB       GLU  24 -13.389  -7.282   2.313
  150   1HG   GLU  24          2HG       GLU  24 -16.158  -8.309   1.611
  151   2HG   GLU  24          1HG       GLU  24 -14.654  -8.810   0.860
  152    H    CYS  25           H        CYS  25 -12.858  -6.538   4.486
  153    HA   CYS  25           HA       CYS  25 -12.446  -3.685   4.635
  154   1HB   CYS  25          2HB       CYS  25 -11.835  -5.911   6.573
  155   2HB   CYS  25          1HB       CYS  25 -11.025  -4.379   6.675
  156    H    LEU  26           H        LEU  26 -11.491  -4.121   2.437
  157    HA   LEU  26           HA       LEU  26  -9.053  -5.722   2.340
  158   1HB   LEU  26          2HB       LEU  26  -9.961  -3.711   0.251
  159   2HB   LEU  26          1HB       LEU  26  -9.001  -5.136   0.058
  160    HG   LEU  26           HG       LEU  26 -11.931  -5.204   0.762
  161   1HD1  LEU  26          1HD1      LEU  26 -11.577  -4.551  -1.583
  162   2HD1  LEU  26          2HD1      LEU  26 -12.199  -6.187  -1.517
  163   3HD1  LEU  26          3HD1      LEU  26 -10.503  -5.918  -1.831
  164   1HD2  LEU  26          1HD2      LEU  26 -10.777  -7.129   1.764
  165   2HD2  LEU  26          2HD2      LEU  26 -10.062  -7.528   0.207
  166   3HD2  LEU  26          3HD2      LEU  26 -11.803  -7.634   0.436
  167    H    CYS  27           H        CYS  27  -7.344  -4.274   0.933
  168    HA   CYS  27           HA       CYS  27  -6.461  -2.184   2.807
  169   1HB   CYS  27          2HB       CYS  27  -4.988  -3.874   0.814
  170   2HB   CYS  27          1HB       CYS  27  -4.253  -2.677   1.843
  171    HA   PRO  28           HA       PRO  28  -7.046   0.948  -0.282
  172   1HB   PRO  28          2HB       PRO  28  -5.523   2.915   0.876
  173   2HB   PRO  28          1HB       PRO  28  -7.115   2.482   1.405
  174   1HG   PRO  28          2HG       PRO  28  -4.513   1.802   2.622
  175   2HG   PRO  28          1HG       PRO  28  -6.078   2.094   3.383
  176   1HD   PRO  28          2HD       PRO  28  -4.949  -0.394   2.957
  177   2HD   PRO  28          1HD       PRO  28  -6.666  -0.077   3.262
  178    H    ASP  29           H        ASP  29  -3.787   1.194   0.986
  179    HA   ASP  29           HA       ASP  29  -2.640   1.765  -1.620
  180   1HB   ASP  29          2HB       ASP  29  -0.572   2.044  -0.356
  181   2HB   ASP  29          1HB       ASP  29  -1.869   2.840   0.493
  182    H    GLY  30           H        GLY  30  -0.338   0.651  -1.792
  183   1HA   GLY  30          2HA       GLY  30  -0.654  -1.802  -3.009
  184   2HA   GLY  30          1HA       GLY  30   0.883  -1.157  -2.493
  185    H    PHE  31           H        PHE  31  -0.334  -1.383   0.421
  186    HA   PHE  31           HA       PHE  31   1.000  -3.806   1.064
  187   1HB   PHE  31          2HB       PHE  31  -0.967  -2.079   2.590
  188   2HB   PHE  31          1HB       PHE  31  -0.194  -3.462   3.302
  189    HD1  PHE  31           1HD      PHE  31   2.008  -1.810   0.912
  190    HD2  PHE  31           2HD      PHE  31   0.641  -1.679   4.952
  191    HE1  PHE  31           1HE      PHE  31   3.968  -0.559   1.529
  192    HE2  PHE  31           2HE      PHE  31   2.640  -0.417   5.566
  193    HZ   PHE  31           HZ       PHE  31   4.317   0.134   3.861
  194    H    GLN  32           H        GLN  32   0.068  -5.495   2.366
  195    HA   GLN  32           HA       GLN  32  -2.297  -6.703   0.972
  196   1HB   GLN  32          2HB       GLN  32  -0.142  -7.919   0.741
  197   2HB   GLN  32          1HB       GLN  32  -0.014  -8.031   2.489
  198   1HG   GLN  32          2HG       GLN  32  -2.104  -9.398   2.561
  199   2HG   GLN  32          1HG       GLN  32  -2.253  -9.266   0.813
  200   1HE2  GLN  32          1HE2      GLN  32  -0.619 -10.376  -0.504
  201   2HE2  GLN  32          2HE2      GLN  32   0.315 -11.632   0.155
  202    H    LEU  33           H        LEU  33  -3.848  -7.780   2.200
  203    HA   LEU  33           HA       LEU  33  -4.358  -6.576   4.820
  204   1HB   LEU  33          2HB       LEU  33  -6.098  -7.225   2.957
  205   2HB   LEU  33          1HB       LEU  33  -5.889  -8.874   3.495
  206    HG   LEU  33           HG       LEU  33  -6.528  -8.088   5.846
  207   1HD1  LEU  33          1HD1      LEU  33  -7.302  -5.577   4.293
  208   2HD1  LEU  33          2HD1      LEU  33  -6.038  -5.658   5.504
  209   3HD1  LEU  33          3HD1      LEU  33  -7.708  -5.881   5.966
  210   1HD2  LEU  33          1HD2      LEU  33  -8.588  -7.673   3.651
  211   2HD2  LEU  33          2HD2      LEU  33  -8.955  -7.980   5.334
  212   3HD2  LEU  33          3HD2      LEU  33  -8.161  -9.219   4.381
  213    H    VAL  34           H        VAL  34  -2.981  -7.316   6.352
  214    HA   VAL  34           HA       VAL  34  -2.209 -10.161   6.437
  215    HB   VAL  34           HB       VAL  34  -1.252  -7.764   8.061
  216   1HG1  VAL  34          1HG1      VAL  34  -0.112 -10.596   7.920
  217   2HG1  VAL  34          2HG1      VAL  34  -0.909  -9.912   9.324
  218   3HG1  VAL  34          3HG1      VAL  34   0.610  -9.240   8.770
  219   1HG2  VAL  34          1HG2      VAL  34  -0.659  -7.680   5.644
  220   2HG2  VAL  34          2HG2      VAL  34   0.004  -9.300   5.745
  221   3HG2  VAL  34          3HG2      VAL  34   0.766  -7.983   6.614
  222    H    ALA  35           H        ALA  35  -2.705  -8.261   9.358
  223    HA   ALA  35           HA       ALA  35  -3.994 -10.475  10.602
  224   1HB   ALA  35          1HB       ALA  35  -3.234  -7.745  11.701
  225   2HB   ALA  35          2HB       ALA  35  -2.309  -9.225  11.830
  226   3HB   ALA  35          3HB       ALA  35  -3.844  -9.071  12.664
  227    H    GLN  36           H        GLN  36  -5.700 -10.221   9.029
  228    HA   GLN  36           HA       GLN  36  -7.995 -10.130   8.647
  229   1HB   GLN  36          2HB       GLN  36  -8.165  -8.675  11.338
  230   2HB   GLN  36          1HB       GLN  36  -9.512  -9.307  10.431
  231   1HG   GLN  36          2HG       GLN  36  -8.620 -11.611  10.617
  232   2HG   GLN  36          1HG       GLN  36  -7.213 -11.017  11.489
  233   1HE2  GLN  36          1HE2      GLN  36  -7.594 -10.034  13.641
  234   2HE2  GLN  36          2HE2      GLN  36  -8.974 -10.464  14.530
  235    H    ARG  37           H        ARG  37  -7.275  -7.096  10.249
  236    HA   ARG  37           HA       ARG  37  -8.176  -5.546   7.882
  237   1HB   ARG  37          2HB       ARG  37  -9.212  -3.936   9.555
  238   2HB   ARG  37          1HB       ARG  37 -10.025  -5.470   9.366
  239   1HG   ARG  37          2HG       ARG  37  -9.838  -4.766  11.758
  240   2HG   ARG  37          1HG       ARG  37  -9.077  -6.314  11.459
  241   1HD   ARG  37          2HD       ARG  37  -6.887  -5.291  11.415
  242   2HD   ARG  37          1HD       ARG  37  -7.579  -3.668  11.568
  243    HE   ARG  37           HE       ARG  37  -8.510  -5.226  13.748
  244   1HH1  ARG  37          2HH1      ARG  37  -5.516  -4.054  12.459
  245   2HH1  ARG  37          1HH1      ARG  37  -4.738  -3.992  14.004
  246   1HH2  ARG  37          1HH2      ARG  37  -7.548  -5.157  15.721
  247   2HH2  ARG  37          2HH2      ARG  37  -5.909  -4.627  15.883
  248    H    ARG  38           H        ARG  38  -5.577  -6.326   9.323
  249    HA   ARG  38           HA       ARG  38  -4.403  -3.578   9.638
  250   1HB   ARG  38          2HB       ARG  38  -4.203  -5.374  11.510
  251   2HB   ARG  38          1HB       ARG  38  -3.195  -6.259  10.390
  252   1HG   ARG  38          2HG       ARG  38  -2.569  -3.499  11.484
  253   2HG   ARG  38          1HG       ARG  38  -1.840  -4.993  12.019
  254   1HD   ARG  38          2HD       ARG  38  -0.837  -5.292   9.718
  255   2HD   ARG  38          1HD       ARG  38  -1.515  -3.720   9.280
  256    HE   ARG  38           HE       ARG  38   0.185  -3.853  11.698
  257   1HH1  ARG  38          2HH1      ARG  38  -0.174  -2.894   8.384
  258   2HH1  ARG  38          1HH1      ARG  38   1.175  -1.814   8.440
  259   1HH2  ARG  38          1HH2      ARG  38   1.885  -2.508  11.783
  260   2HH2  ARG  38          2HH2      ARG  38   2.362  -1.597  10.390
  261    H    CYS  39           H        CYS  39  -3.919  -3.014   7.599
  262    HA   CYS  39           HA       CYS  39  -2.875  -4.950   5.676
  263   1HB   CYS  39          2HB       CYS  39  -3.416  -1.996   5.473
  264   2HB   CYS  39          1HB       CYS  39  -2.884  -2.994   4.138
  265    H    GLU  40           H        GLU  40  -0.843  -5.442   5.487
  266    HA   GLU  40           HA       GLU  40   1.255  -3.370   5.791
  267   1HB   GLU  40          2HB       GLU  40   0.955  -4.619   7.980
  268   2HB   GLU  40          1HB       GLU  40   1.416  -6.074   7.137
  269   1HG   GLU  40          2HG       GLU  40   3.590  -5.081   6.503
  270   2HG   GLU  40          1HG       GLU  40   3.143  -3.574   7.280
  271    H    ASP  41           H        ASP  41   3.148  -3.844   4.738
  272    HA   ASP  41           HA       ASP  41   3.037  -5.853   2.571
  273   1HB   ASP  41          2HB       ASP  41   3.049  -3.609   1.914
  274   2HB   ASP  41          1HB       ASP  41   4.443  -3.191   2.883
  275    H    ILE  42           H        ILE  42   5.187  -6.471   1.820
  276    HA   ILE  42           HA       ILE  42   6.596  -7.839   3.851
  277    HB   ILE  42           HB       ILE  42   7.282  -7.298   0.915
  278   1HG1  ILE  42          2HG1      ILE  42   6.625  -9.684   0.512
  279   2HG1  ILE  42          1HG1      ILE  42   6.120  -9.817   2.178
  280   1HG2  ILE  42          1HG2      ILE  42   9.358  -7.864   2.132
  281   2HG2  ILE  42          2HG2      ILE  42   8.905  -9.176   1.069
  282   3HG2  ILE  42          3HG2      ILE  42   8.597  -9.303   2.792
  283   1HD1  ILE  42          1HD1      ILE  42   4.320  -8.124   1.765
  284   2HD1  ILE  42          2HD1      ILE  42   4.199  -9.479   0.677
  285   3HD1  ILE  42          3HD1      ILE  42   4.878  -7.966   0.107
  286    H    ASP  43           H        ASP  43   8.897  -7.393   4.432
  287    HA   ASP  43           HA       ASP  43   9.586  -4.481   4.240
  288   1HB   ASP  43          2HB       ASP  43   9.126  -5.566   6.503
  289   2HB   ASP  43          1HB       ASP  43  10.555  -6.547   6.251
  290    H    GLU  44           H        GLU  44  11.026  -4.136   2.765
  291    HA   GLU  44           HA       GLU  44  12.671  -6.191   1.601
  292   1HB   GLU  44          2HB       GLU  44  12.914  -3.197   1.352
  293   2HB   GLU  44          1HB       GLU  44  13.561  -4.381   0.243
  294   1HG   GLU  44          2HG       GLU  44  11.623  -3.439  -0.711
  295   2HG   GLU  44          1HG       GLU  44  11.190  -5.086  -0.315
  296    H    CYS  45           H        CYS  45  13.094  -3.865   4.134
  297    HA   CYS  45           HA       CYS  45  15.910  -3.783   4.088
  298   1HB   CYS  45          2HB       CYS  45  13.896  -2.974   6.151
  299   2HB   CYS  45          1HB       CYS  45  15.574  -2.823   6.436
  300    H    GLN  46           H        GLN  46  13.808  -5.419   6.302
  301    HA   GLN  46           HA       GLN  46  15.373  -6.463   8.233
  302   1HB   GLN  46          2HB       GLN  46  13.304  -8.000   6.621
  303   2HB   GLN  46          1HB       GLN  46  13.929  -8.508   8.169
  304   1HG   GLN  46          2HG       GLN  46  12.504  -5.885   7.690
  305   2HG   GLN  46          1HG       GLN  46  11.753  -7.295   8.415
  306   1HE2  GLN  46          1HE2      GLN  46  13.254  -8.161  10.390
  307   2HE2  GLN  46          2HE2      GLN  46  13.759  -6.939  11.453
  308    H    ASP  47           H        ASP  47  15.148  -8.064   5.084
  309    HA   ASP  47           HA       ASP  47  17.210  -9.917   5.786
  310   1HB   ASP  47          2HB       ASP  47  15.362 -10.511   4.192
  311   2HB   ASP  47          1HB       ASP  47  15.986  -9.332   3.050
  312    HA   PRO  48           HA       PRO  48  20.345  -6.981   4.481
  313   1HB   PRO  48          2HB       PRO  48  22.573  -8.436   4.859
  314   2HB   PRO  48          1HB       PRO  48  21.564  -7.970   6.205
  315   1HG   PRO  48          2HG       PRO  48  21.633 -10.589   4.768
  316   2HG   PRO  48          1HG       PRO  48  21.574 -10.267   6.508
  317   1HD   PRO  48          2HD       PRO  48  19.380 -10.904   4.978
  318   2HD   PRO  48          1HD       PRO  48  19.309 -10.006   6.505
  319    H    ASP  49           H        ASP  49  18.947  -8.148   2.401
  320    HA   ASP  49           HA       ASP  49  20.912  -9.010   0.363
  321   1HB   ASP  49          2HB       ASP  49  18.667 -10.079   0.355
  322   2HB   ASP  49          1HB       ASP  49  17.894  -8.514   0.162
  323    H    THR  50           H        THR  50  19.126  -6.229   1.420
  324    HA   THR  50           HA       THR  50  19.535  -4.575  -0.904
  325    HB   THR  50           HB       THR  50  18.700  -2.769   0.746
  326    HG1  THR  50           1HG      THR  50  19.055  -3.215   2.749
  327   1HG2  THR  50          1HG2      THR  50  17.171  -5.419   1.026
  328   2HG2  THR  50          2HG2      THR  50  16.982  -4.335  -0.341
  329   3HG2  THR  50          3HG2      THR  50  16.504  -3.813   1.265
  330    H    CYS  51           H        CYS  51  20.649  -3.131   2.086
  331    HA   CYS  51           HA       CYS  51  23.374  -2.975   0.919
  332   1HB   CYS  51          2HB       CYS  51  21.767  -1.278   2.808
  333   2HB   CYS  51          1HB       CYS  51  23.500  -1.097   2.688
  334    H    SER  52           H        SER  52  25.184  -3.304   2.122
  335    HA   SER  52           HA       SER  52  25.764  -5.523   3.381
  336   1HB   SER  52          2HB       SER  52  27.425  -3.749   2.948
  337   2HB   SER  52          1HB       SER  52  26.818  -2.826   4.331
  338    HG   SER  52           HG       SER  52  27.438  -5.526   4.708
  339    H    GLN  53           H        GLN  53  24.880  -2.805   5.460
  340    HA   GLN  53           HA       GLN  53  24.068  -4.784   7.561
  341   1HB   GLN  53          2HB       GLN  53  25.276  -2.001   7.837
  342   2HB   GLN  53          1HB       GLN  53  24.686  -2.941   9.196
  343   1HG   GLN  53          2HG       GLN  53  26.865  -3.868   7.261
  344   2HG   GLN  53          1HG       GLN  53  27.189  -3.212   8.851
  345   1HE2  GLN  53          1HE2      GLN  53  26.379  -6.058   7.104
  346   2HE2  GLN  53          2HE2      GLN  53  26.156  -7.082   8.439
  347    H    LEU  54           H        LEU  54  23.310  -1.436   8.122
  348    HA   LEU  54           HA       LEU  54  20.560  -2.087   8.373
  349   1HB   LEU  54          2HB       LEU  54  21.934   0.602   8.275
  350   2HB   LEU  54          1HB       LEU  54  20.277   0.367   8.740
  351    HG   LEU  54           HG       LEU  54  22.712  -0.639  10.225
  352   1HD1  LEU  54          1HD1      LEU  54  22.097   1.789  10.452
  353   2HD1  LEU  54          2HD1      LEU  54  21.789   0.914  11.946
  354   3HD1  LEU  54          3HD1      LEU  54  20.463   1.315  10.863
  355   1HD2  LEU  54          1HD2      LEU  54  19.754  -1.007  10.835
  356   2HD2  LEU  54          2HD2      LEU  54  21.090  -1.492  11.877
  357   3HD2  LEU  54          3HD2      LEU  54  20.838  -2.302  10.344
  358    H    CYS  55           H        CYS  55  18.981  -0.683   7.777
  359    HA   CYS  55           HA       CYS  55  18.734   0.443   5.104
  360   1HB   CYS  55          2HB       CYS  55  18.590  -2.023   4.645
  361   2HB   CYS  55          1HB       CYS  55  17.366  -2.189   5.824
  362    H    VAL  56           H        VAL  56  16.214   0.999   4.896
  363    HA   VAL  56           HA       VAL  56  14.886   1.338   7.520
  364    HB   VAL  56           HB       VAL  56  16.371   3.314   7.380
  365   1HG1  VAL  56          1HG1      VAL  56  16.687   3.500   4.938
  366   2HG1  VAL  56          2HG1      VAL  56  16.162   5.021   5.627
  367   3HG1  VAL  56          3HG1      VAL  56  15.028   4.031   4.742
  368   1HG2  VAL  56          1HG2      VAL  56  14.168   3.640   8.410
  369   2HG2  VAL  56          2HG2      VAL  56  13.463   4.042   6.853
  370   3HG2  VAL  56          3HG2      VAL  56  14.656   5.106   7.577
  371    H    ASN  57           H        ASN  57  13.228   0.172   6.919
  372    HA   ASN  57           HA       ASN  57  11.881   0.464   4.345
  373   1HB   ASN  57          2HB       ASN  57  12.213  -1.740   5.360
  374   2HB   ASN  57          1HB       ASN  57  11.237  -1.265   6.740
  375   1HD2  ASN  57          1HD2      ASN  57   9.298  -2.372   6.574
  376   2HD2  ASN  57          2HD2      ASN  57   8.372  -2.508   5.159
  377    H    LEU  58           H        LEU  58   9.725   0.582   4.127
  378    HA   LEU  58           HA       LEU  58   7.748   1.707   5.883
  379   1HB   LEU  58          2HB       LEU  58   7.531   3.954   4.903
  380   2HB   LEU  58          1HB       LEU  58   9.095   3.780   5.626
  381    HG   LEU  58           HG       LEU  58   8.724   3.411   2.618
  382   1HD1  LEU  58          1HD1      LEU  58   7.990   5.703   3.319
  383   2HD1  LEU  58          2HD1      LEU  58   9.499   5.760   2.424
  384   3HD1  LEU  58          3HD1      LEU  58   9.510   5.925   4.176
  385   1HD2  LEU  58          1HD2      LEU  58  11.116   4.114   4.384
  386   2HD2  LEU  58          2HD2      LEU  58  11.149   3.947   2.643
  387   3HD2  LEU  58          3HD2      LEU  58  10.851   2.548   3.641
  388    H    GLU  59           H        GLU  59   6.529   3.094   3.726
  389    HA   GLU  59           HA       GLU  59   5.215   0.867   2.442
  390   1HB   GLU  59          2HB       GLU  59   4.011   3.009   3.130
  391   2HB   GLU  59          1HB       GLU  59   4.924   3.874   1.910
  392   1HG   GLU  59          2HG       GLU  59   3.838   2.512   0.113
  393   2HG   GLU  59          1HG       GLU  59   2.998   1.565   1.322
  394    H    GLY  60           H        GLY  60   6.779  -0.123   1.661
  395   1HA   GLY  60          2HA       GLY  60   7.996  -1.036   0.026
  396   2HA   GLY  60          1HA       GLY  60   6.904  -0.192  -1.067
  397    H    GLY  61           H        GLY  61   8.186   2.191   0.671
  398   1HA   GLY  61          2HA       GLY  61  10.126   2.973  -1.393
  399   2HA   GLY  61          1HA       GLY  61   9.528   3.973  -0.076
  400    H    TYR  62           H        TYR  62  10.685   0.969   0.859
  401    HA   TYR  62           HA       TYR  62  12.520   1.685   2.744
  402   1HB   TYR  62          2HB       TYR  62  13.598  -0.476   2.562
  403   2HB   TYR  62          1HB       TYR  62  11.914  -0.708   2.143
  404    HD1  TYR  62           1HD      TYR  62  11.365  -0.520  -0.474
  405    HD2  TYR  62           2HD      TYR  62  15.245  -1.233   1.115
  406    HE1  TYR  62           1HE      TYR  62  12.096  -1.403  -2.636
  407    HE2  TYR  62           2HE      TYR  62  15.977  -2.116  -1.035
  408    HH   TYR  62           HH       TYR  62  15.101  -1.697  -3.593
  409    H    LYS  63           H        LYS  63  14.438   2.692   2.915
  410    HA   LYS  63           HA       LYS  63  16.036   3.114   0.450
  411   1HB   LYS  63          2HB       LYS  63  15.940   4.742   3.002
  412   2HB   LYS  63          1HB       LYS  63  16.824   5.092   1.558
  413   1HG   LYS  63          2HG       LYS  63  14.718   5.310   0.262
  414   2HG   LYS  63          1HG       LYS  63  13.794   4.921   1.705
  415   1HD   LYS  63          2HD       LYS  63  14.724   6.922   2.855
  416   2HD   LYS  63          1HD       LYS  63  15.628   7.327   1.405
  417   1HE   LYS  63          2HE       LYS  63  13.503   7.533   0.129
  418   2HE   LYS  63          1HE       LYS  63  12.593   7.120   1.579
  419   1HZ   LYS  63          1HZ       LYS  63  14.466   9.400   1.464
  420   2HZ   LYS  63          2HZ       LYS  63  13.289   9.069   2.643
  421   3HZ   LYS  63          3HZ       LYS  63  12.817   9.537   1.080
  422    H    CYS  64           H        CYS  64  18.264   3.232   0.804
  423    HA   CYS  64           HA       CYS  64  19.290   1.036   2.428
  424   1HB   CYS  64          2HB       CYS  64  20.153   1.400   0.240
  425   2HB   CYS  64          1HB       CYS  64  20.587   3.037   0.663
  426    H    GLN  65           H        GLN  65  20.889   1.125   3.713
  427    HA   GLN  65           HA       GLN  65  21.983   3.467   5.091
  428   1HB   GLN  65          2HB       GLN  65  20.467   1.482   6.825
  429   2HB   GLN  65          1HB       GLN  65  21.209   2.943   7.332
  430   1HG   GLN  65          2HG       GLN  65  18.721   2.911   5.601
  431   2HG   GLN  65          1HG       GLN  65  18.754   3.187   7.329
  432   1HE2  GLN  65          1HE2      GLN  65  21.222   4.846   7.293
  433   2HE2  GLN  65          2HE2      GLN  65  20.772   6.323   6.591
  434    H    CYS  66           H        CYS  66  23.126   2.365   7.172
  435    HA   CYS  66           HA       CYS  66  24.124  -0.282   6.818
  436   1HB   CYS  66          2HB       CYS  66  25.577   2.133   5.945
  437   2HB   CYS  66          1HB       CYS  66  26.460   0.843   6.668
  438    H    GLU  67           H        GLU  67  26.413  -0.182   8.192
  439    HA   GLU  67           HA       GLU  67  25.499   0.331  10.929
  440   1HB   GLU  67          2HB       GLU  67  26.629  -1.757  10.148
  441   2HB   GLU  67          1HB       GLU  67  28.079  -0.841   9.848
  442   1HG   GLU  67          2HG       GLU  67  28.239  -0.269  12.287
  443   2HG   GLU  67          1HG       GLU  67  26.777  -1.199  12.574
  444    H    GLU  68           H        GLU  68  25.534   2.685  10.010
  445    HA   GLU  68           HA       GLU  68  26.269   4.839  10.201
  446   1HB   GLU  68          2HB       GLU  68  27.959   3.561  12.370
  447   2HB   GLU  68          1HB       GLU  68  27.797   5.283  12.164
  448   1HG   GLU  68          2HG       GLU  68  25.299   5.042  12.458
  449   2HG   GLU  68          1HG       GLU  68  25.501   3.306  12.643
  450    H    GLY  69           H        GLY  69  29.343   3.371  10.928
  451   1HA   GLY  69          2HA       GLY  69  31.030   5.222   9.763
  452   2HA   GLY  69          1HA       GLY  69  31.470   3.554  10.077
  453    H    PHE  70           H        PHE  70  29.103   2.940   8.143
  454    HA   PHE  70           HA       PHE  70  30.774   2.537   5.897
  455   1HB   PHE  70          2HB       PHE  70  27.816   2.307   6.272
  456   2HB   PHE  70          1HB       PHE  70  28.625   1.759   4.825
  457    HD1  PHE  70           1HD      PHE  70  27.763  -0.514   5.111
  458    HD2  PHE  70           2HD      PHE  70  30.268   1.162   8.121
  459    HE1  PHE  70           1HE      PHE  70  28.106  -2.713   6.091
  460    HE2  PHE  70           2HE      PHE  70  30.598  -1.041   9.085
  461    HZ   PHE  70           HZ       PHE  70  29.519  -3.002   8.074
  462    H    GLN  71           H        GLN  71  30.443   3.374   3.747
  463    HA   GLN  71           HA       GLN  71  29.145   6.018   3.601
  464   1HB   GLN  71          2HB       GLN  71  31.926   5.145   2.897
  465   2HB   GLN  71          1HB       GLN  71  31.203   6.334   1.871
  466   1HG   GLN  71          2HG       GLN  71  31.416   6.583   4.914
  467   2HG   GLN  71          1HG       GLN  71  32.487   7.389   3.768
  468   1HE2  GLN  71          1HE2      GLN  71  30.901   8.942   5.511
  469   2HE2  GLN  71          2HE2      GLN  71  29.698   9.742   4.620
  470    H    LEU  72           H        LEU  72  29.205   6.800   1.317
  471    HA   LEU  72           HA       LEU  72  27.515   4.898  -0.159
  472   1HB   LEU  72          2HB       LEU  72  26.983   7.321  -0.137
  473   2HB   LEU  72          1HB       LEU  72  28.479   7.661  -0.984
  474    HG   LEU  72           HG       LEU  72  27.700   6.152  -2.870
  475   1HD1  LEU  72          1HD1      LEU  72  26.092   4.725  -1.643
  476   2HD1  LEU  72          2HD1      LEU  72  25.321   5.508  -3.002
  477   3HD1  LEU  72          3HD1      LEU  72  25.050   6.112  -1.377
  478   1HD2  LEU  72          1HD2      LEU  72  27.359   8.607  -2.996
  479   2HD2  LEU  72          2HD2      LEU  72  25.819   8.443  -2.162
  480   3HD2  LEU  72          3HD2      LEU  72  26.027   7.762  -3.770
  481    H    ASP  73           H        ASP  73  28.597   3.303  -0.945
  482    HA   ASP  73           HA       ASP  73  31.224   3.465  -2.177
  483   1HB   ASP  73          2HB       ASP  73  30.345   1.428  -0.948
  484   2HB   ASP  73          1HB       ASP  73  29.192   1.175  -2.245
  485    HA   PRO  74           HA       PRO  74  29.317   4.651  -6.094
  486   1HB   PRO  74          2HB       PRO  74  31.521   4.993  -7.565
  487   2HB   PRO  74          1HB       PRO  74  31.180   6.060  -6.224
  488   1HG   PRO  74          2HG       PRO  74  33.010   3.693  -6.276
  489   2HG   PRO  74          1HG       PRO  74  33.292   5.321  -5.635
  490   1HD   PRO  74          2HD       PRO  74  32.569   3.203  -4.071
  491   2HD   PRO  74          1HD       PRO  74  32.179   4.889  -3.677
  492    H    HIS  75           H        HIS  75  29.262   3.923  -8.294
  493    HA   HIS  75           HA       HIS  75  28.957   2.315  -9.951
  494   1HB   HIS  75          2HB       HIS  75  31.286   0.888  -8.569
  495   2HB   HIS  75          1HB       HIS  75  30.695   0.578 -10.193
  496    HD1  HIS  75           1HD      HIS  75  32.443   3.227  -8.263
  497    HD2  HIS  75           2HD      HIS  75  31.532   2.417 -12.159
  498    HE1  HIS  75           1HE      HIS  75  33.699   4.859  -9.623
  499    H    THR  76           H        THR  76  28.293   1.826  -6.873
  500    HA   THR  76           HA       THR  76  26.821  -0.732  -7.293
  501    HB   THR  76           HB       THR  76  27.308  -1.259  -4.857
  502    HG1  THR  76           1HG      THR  76  28.897   0.092  -3.914
  503   1HG2  THR  76          1HG2      THR  76  29.744  -1.783  -5.094
  504   2HG2  THR  76          2HG2      THR  76  29.898  -0.629  -6.407
  505   3HG2  THR  76          3HG2      THR  76  28.987  -2.109  -6.644
  506    H    LYS  77           H        LYS  77  27.211   2.216  -5.638
  507    HA   LYS  77           HA       LYS  77  25.764   3.878  -4.875
  508   1HB   LYS  77          2HB       LYS  77  23.654   2.099  -5.824
  509   2HB   LYS  77          1HB       LYS  77  23.368   3.742  -5.358
  510   1HG   LYS  77          2HG       LYS  77  25.047   2.780  -7.735
  511   2HG   LYS  77          1HG       LYS  77  23.508   3.598  -7.829
  512   1HD   LYS  77          2HD       LYS  77  26.095   4.827  -6.773
  513   2HD   LYS  77          1HD       LYS  77  25.359   5.147  -8.326
  514   1HE   LYS  77          2HE       LYS  77  23.349   6.094  -7.213
  515   2HE   LYS  77          1HE       LYS  77  24.064   5.782  -5.637
  516   1HZ   LYS  77          1HZ       LYS  77  25.599   7.325  -7.584
  517   2HZ   LYS  77          2HZ       LYS  77  25.594   7.406  -5.888
  518   3HZ   LYS  77          3HZ       LYS  77  24.310   8.078  -6.776
  519    H    ALA  78           H        ALA  78  26.108   0.883  -3.706
  520    HA   ALA  78           HA       ALA  78  24.185   1.049  -1.460
  521   1HB   ALA  78          1HB       ALA  78  26.300  -1.036  -2.175
  522   2HB   ALA  78          2HB       ALA  78  24.597  -1.143  -2.597
  523   3HB   ALA  78          3HB       ALA  78  25.090  -1.218  -0.913
  524    H    CYS  79           H        CYS  79  25.728  -0.039   0.568
  525    HA   CYS  79           HA       CYS  79  28.048   1.748   0.905
  526   1HB   CYS  79          2HB       CYS  79  27.217   2.263   3.270
  527   2HB   CYS  79          1HB       CYS  79  26.403   3.109   1.991
  528    H    LYS  80           H        LYS  80  29.505   1.271   2.326
  529    HA   LYS  80           HA       LYS  80  29.388  -1.170   3.961
  530   1HB   LYS  80          2HB       LYS  80  31.341  -2.056   3.110
  531   2HB   LYS  80          1HB       LYS  80  30.118  -2.086   1.841
  532   1HG   LYS  80          2HG       LYS  80  31.151   0.075   0.913
  533   2HG   LYS  80          1HG       LYS  80  32.467  -0.119   2.047
  534   1HD   LYS  80          2HD       LYS  80  31.752  -2.053  -0.188
  535   2HD   LYS  80          1HD       LYS  80  33.092  -0.933  -0.186
  536   1HE   LYS  80          2HE       LYS  80  33.945  -3.152   0.341
  537   2HE   LYS  80          1HE       LYS  80  34.088  -2.151   1.774
  538   1HZ   LYS  80          1HZ       LYS  80  32.962  -4.581   1.684
  539   2HZ   LYS  80          2HZ       LYS  80  31.598  -3.575   1.588
  540   3HZ   LYS  80          3HZ       LYS  80  32.676  -3.423   2.893
  541    H    ALA  81           H        ALA  81  31.342  -1.235   5.369
  542    HA   ALA  81           HA       ALA  81  32.009   1.010   6.785
  543   1HB   ALA  81          1HB       ALA  81  34.068  -0.177   7.493
  544   2HB   ALA  81          2HB       ALA  81  33.879  -1.291   6.146
  545   3HB   ALA  81          3HB       ALA  81  32.685  -1.259   7.434
  546    H    VAL  82           H        VAL  82  32.807   2.916   6.280
  547    HA   VAL  82           HA       VAL  82  33.956   3.722   3.914
  548    HB   VAL  82           HB       VAL  82  33.136   5.254   5.674
  549   1HG1  VAL  82          1HG1      VAL  82  34.103   4.093   7.673
  550   2HG1  VAL  82          2HG1      VAL  82  34.546   5.790   7.653
  551   3HG1  VAL  82          3HG1      VAL  82  35.710   4.569   7.174
  552   1HG2  VAL  82          1HG2      VAL  82  34.605   6.196   3.942
  553   2HG2  VAL  82          2HG2      VAL  82  36.024   5.824   4.904
  554   3HG2  VAL  82          3HG2      VAL  82  34.867   7.012   5.473
  Start of MODEL   29
    1    H    GLY   1           H        GLY   1 -23.878  -2.179   2.213
    2   1HA   GLY   1          2HA       GLY   1 -26.654  -2.028   1.846
    3   2HA   GLY   1          1HA       GLY   1 -26.419  -2.880   3.374
    4    H    THR   2           H        THR   2 -25.858  -1.710   5.168
    5    HA   THR   2           HA       THR   2 -26.315   1.033   5.283
    6    HB   THR   2           HB       THR   2 -26.541  -0.337   7.258
    7    HG1  THR   2           1HG      THR   2 -26.063   1.779   7.632
    8   1HG2  THR   2          1HG2      THR   2 -24.519  -1.176   8.438
    9   2HG2  THR   2          2HG2      THR   2 -23.487  -0.490   7.186
   10   3HG2  THR   2          3HG2      THR   2 -24.537  -1.854   6.811
   11    H    ASN   3           H        ASN   3 -24.802   2.629   6.191
   12    HA   ASN   3           HA       ASN   3 -22.291   2.680   4.600
   13   1HB   ASN   3          2HB       ASN   3 -24.068   4.463   4.325
   14   2HB   ASN   3          1HB       ASN   3 -23.806   4.930   5.995
   15   1HD2  ASN   3          1HD2      ASN   3 -23.373   6.975   4.399
   16   2HD2  ASN   3          2HD2      ASN   3 -21.727   7.247   4.080
   17    H    GLU   4           H        GLU   4 -21.829   1.032   6.440
   18    HA   GLU   4           HA       GLU   4 -21.178   2.022   9.056
   19   1HB   GLU   4          2HB       GLU   4 -19.889  -0.232   9.119
   20   2HB   GLU   4          1HB       GLU   4 -21.622  -0.286   8.928
   21   1HG   GLU   4          2HG       GLU   4 -20.392  -1.863   7.464
   22   2HG   GLU   4          1HG       GLU   4 -21.421  -0.792   6.554
   23    H    CYS   5           H        CYS   5 -19.832   2.845   6.265
   24    HA   CYS   5           HA       CYS   5 -17.050   2.667   6.696
   25   1HB   CYS   5          2HB       CYS   5 -18.676   4.567   5.005
   26   2HB   CYS   5          1HB       CYS   5 -16.975   4.317   4.849
   27    H    LEU   6           H        LEU   6 -19.557   4.957   7.219
   28    HA   LEU   6           HA       LEU   6 -18.401   7.317   7.958
   29   1HB   LEU   6          2HB       LEU   6 -20.767   5.977   9.299
   30   2HB   LEU   6          1HB       LEU   6 -20.407   7.685   9.341
   31    HG   LEU   6           HG       LEU   6 -21.114   6.078   6.846
   32   1HD1  LEU   6          1HD1      LEU   6 -23.161   7.444   6.869
   33   2HD1  LEU   6          2HD1      LEU   6 -22.643   8.202   8.368
   34   3HD1  LEU   6          3HD1      LEU   6 -23.009   6.483   8.333
   35   1HD2  LEU   6          1HD2      LEU   6 -21.119   8.297   5.682
   36   2HD2  LEU   6          2HD2      LEU   6 -19.522   7.976   6.318
   37   3HD2  LEU   6          3HD2      LEU   6 -20.593   9.084   7.158
   38    H    ASP   7           H        ASP   7 -19.052   4.598  10.080
   39    HA   ASP   7           HA       ASP   7 -17.443   5.783  12.307
   40   1HB   ASP   7          2HB       ASP   7 -19.799   4.787  12.679
   41   2HB   ASP   7          1HB       ASP   7 -19.118   3.249  12.172
   42    H    ASN   8           H        ASN   8 -16.627   3.327  13.343
   43    HA   ASN   8           HA       ASN   8 -14.159   2.871  12.199
   44   1HB   ASN   8          2HB       ASN   8 -15.932   1.073  13.663
   45   2HB   ASN   8          1HB       ASN   8 -14.266   0.651  13.372
   46   1HD2  ASN   8          1HD2      ASN   8 -15.647   3.859  14.359
   47   2HD2  ASN   8          2HD2      ASN   8 -14.769   3.939  15.806
   48    H    ASN   9           H        ASN   9 -13.872   2.386  10.129
   49    HA   ASN   9           HA       ASN   9 -15.453   1.553   8.103
   50   1HB   ASN   9          2HB       ASN   9 -13.058   2.236   7.978
   51   2HB   ASN   9          1HB       ASN   9 -12.598   0.632   8.538
   52   1HD2  ASN   9          1HD2      ASN   9 -13.003  -1.203   7.115
   53   2HD2  ASN   9          2HD2      ASN   9 -13.192  -0.956   5.453
   54    H    GLY  10           H        GLY  10 -17.007   0.108   9.001
   55   1HA   GLY  10          2HA       GLY  10 -18.057  -1.948   8.977
   56   2HA   GLY  10          1HA       GLY  10 -16.584  -2.606   8.282
   57    H    GLY  11           H        GLY  11 -15.268  -1.229  10.701
   58   1HA   GLY  11          2HA       GLY  11 -15.803  -1.977  13.222
   59   2HA   GLY  11          1HA       GLY  11 -15.245  -3.519  12.538
   60    H    CYS  12           H        CYS  12 -13.697  -1.990  10.589
   61    HA   CYS  12           HA       CYS  12 -11.205  -1.571  12.103
   62   1HB   CYS  12          2HB       CYS  12 -11.886  -2.014   9.193
   63   2HB   CYS  12          1HB       CYS  12 -10.277  -1.800   9.788
   64    H    SER  13           H        SER  13 -10.228  -0.042   9.648
   65    HA   SER  13           HA       SER  13 -11.698   2.425   9.557
   66   1HB   SER  13          2HB       SER  13  -9.950   3.823  10.761
   67   2HB   SER  13          1HB       SER  13 -10.660   2.626  11.852
   68    HG   SER  13           HG       SER  13  -8.933   1.209  11.217
   69    H    HIS  14           H        HIS  14 -10.629   0.554   7.776
   70    HA   HIS  14           HA       HIS  14  -8.619   2.098   6.237
   71   1HB   HIS  14          2HB       HIS  14  -9.319  -0.867   6.359
   72   2HB   HIS  14          1HB       HIS  14  -8.260  -0.183   5.154
   73    HD1  HIS  14           1HD      HIS  14  -6.790  -2.064   6.658
   74    HD2  HIS  14           2HD      HIS  14  -7.280   1.650   8.286
   75    HE1  HIS  14           1HE      HIS  14  -5.011  -1.794   8.347
   76    H    VAL  15           H        VAL  15  -9.940  -0.256   4.372
   77    HA   VAL  15           HA       VAL  15 -11.858   1.606   3.082
   78    HB   VAL  15           HB       VAL  15  -9.854   0.911   1.836
   79   1HG1  VAL  15          1HG1      VAL  15 -10.922  -1.913   2.002
   80   2HG1  VAL  15          2HG1      VAL  15  -9.451  -1.296   2.736
   81   3HG1  VAL  15          3HG1      VAL  15  -9.599  -1.394   0.990
   82   1HG2  VAL  15          1HG2      VAL  15 -11.070   0.157  -0.263
   83   2HG2  VAL  15          2HG2      VAL  15 -11.956   1.428   0.563
   84   3HG2  VAL  15          3HG2      VAL  15 -12.471  -0.243   0.716
   85    H    CYS  16           H        CYS  16 -13.887   1.166   3.267
   86    HA   CYS  16           HA       CYS  16 -14.873  -1.356   4.378
   87   1HB   CYS  16          2HB       CYS  16 -17.031  -0.104   4.292
   88   2HB   CYS  16          1HB       CYS  16 -15.820   0.750   5.191
   89    H    ASN  17           H        ASN  17 -14.530  -2.924   2.768
   90    HA   ASN  17           HA       ASN  17 -15.528  -2.340   0.027
   91   1HB   ASN  17          2HB       ASN  17 -13.361  -3.369   0.278
   92   2HB   ASN  17          1HB       ASN  17 -13.994  -4.631   1.301
   93   1HD2  ASN  17          1HD2      ASN  17 -15.042  -6.386   0.302
   94   2HD2  ASN  17          2HD2      ASN  17 -15.144  -6.585  -1.377
   95    H    ASP  18           H        ASP  18 -17.394  -2.034   0.713
   96    HA   ASP  18           HA       ASP  18 -19.188  -3.466   2.287
   97   1HB   ASP  18          2HB       ASP  18 -19.458  -1.105   1.376
   98   2HB   ASP  18          1HB       ASP  18 -19.942  -1.810  -0.152
   99    H    LEU  19           H        LEU  19 -19.038  -5.516   2.007
  100    HA   LEU  19           HA       LEU  19 -19.502  -7.086  -0.285
  101   1HB   LEU  19          2HB       LEU  19 -18.413  -7.564   2.071
  102   2HB   LEU  19          1HB       LEU  19 -20.048  -7.729   2.620
  103    HG   LEU  19           HG       LEU  19 -20.472  -9.605   1.071
  104   1HD1  LEU  19          1HD1      LEU  19 -17.498  -9.262   0.525
  105   2HD1  LEU  19          2HD1      LEU  19 -18.762  -8.917  -0.642
  106   3HD1  LEU  19          3HD1      LEU  19 -18.502 -10.567  -0.100
  107   1HD2  LEU  19          1HD2      LEU  19 -18.056  -9.872   2.892
  108   2HD2  LEU  19          2HD2      LEU  19 -19.095 -11.195   2.371
  109   3HD2  LEU  19          3HD2      LEU  19 -19.736  -9.924   3.390
  110    H    LYS  20           H        LYS  20 -21.487  -8.713  -0.163
  111    HA   LYS  20           HA       LYS  20 -23.883  -7.102  -0.366
  112   1HB   LYS  20          2HB       LYS  20 -24.982  -9.275  -0.881
  113   2HB   LYS  20          1HB       LYS  20 -23.488  -9.115  -1.780
  114   1HG   LYS  20          2HG       LYS  20 -22.325 -10.569  -0.099
  115   2HG   LYS  20          1HG       LYS  20 -23.847 -10.770   0.757
  116   1HD   LYS  20          2HD       LYS  20 -24.889 -11.769  -1.242
  117   2HD   LYS  20          1HD       LYS  20 -23.380 -11.596  -2.124
  118   1HE   LYS  20          2HE       LYS  20 -22.240 -13.070  -0.468
  119   2HE   LYS  20          1HE       LYS  20 -23.752 -13.243   0.415
  120   1HZ   LYS  20          1HZ       LYS  20 -24.743 -14.321  -1.422
  121   2HZ   LYS  20          2HZ       LYS  20 -23.249 -15.075  -1.134
  122   3HZ   LYS  20          3HZ       LYS  20 -23.417 -13.987  -2.428
  123    H    ILE  21           H        ILE  21 -22.651  -9.556   1.871
  124    HA   ILE  21           HA       ILE  21 -24.087  -8.407   4.147
  125    HB   ILE  21           HB       ILE  21 -24.265 -11.306   3.226
  126   1HG1  ILE  21          2HG1      ILE  21 -26.472  -9.198   3.475
  127   2HG1  ILE  21          1HG1      ILE  21 -25.833  -9.837   1.974
  128   1HG2  ILE  21          1HG2      ILE  21 -25.665 -11.636   5.281
  129   2HG2  ILE  21          2HG2      ILE  21 -25.365  -9.958   5.726
  130   3HG2  ILE  21          3HG2      ILE  21 -24.041 -11.116   5.679
  131   1HD1  ILE  21          1HD1      ILE  21 -27.953 -10.917   2.506
  132   2HD1  ILE  21          2HD1      ILE  21 -27.323 -11.492   4.034
  133   3HD1  ILE  21          3HD1      ILE  21 -26.645 -12.089   2.527
  134    H    GLY  22           H        GLY  22 -22.384  -8.074   5.516
  135   1HA   GLY  22          2HA       GLY  22 -20.758  -8.814   7.048
  136   2HA   GLY  22          1HA       GLY  22 -20.491 -10.201   6.025
  137    H    TYR  23           H        TYR  23 -20.488  -6.814   5.472
  138    HA   TYR  23           HA       TYR  23 -18.691  -6.210   3.567
  139   1HB   TYR  23          2HB       TYR  23 -18.560  -4.663   6.130
  140   2HB   TYR  23          1HB       TYR  23 -18.374  -4.078   4.496
  141    HD1  TYR  23           1HD      TYR  23 -20.502  -3.903   7.050
  142    HD2  TYR  23           2HD      TYR  23 -20.641  -5.006   2.961
  143    HE1  TYR  23           1HE      TYR  23 -22.899  -3.387   6.998
  144    HE2  TYR  23           2HE      TYR  23 -23.030  -4.499   2.895
  145    HH   TYR  23           HH       TYR  23 -24.572  -2.729   4.569
  146    H    GLU  24           H        GLU  24 -16.497  -5.572   3.361
  147    HA   GLU  24           HA       GLU  24 -14.720  -7.059   5.190
  148   1HB   GLU  24          2HB       GLU  24 -14.184  -6.166   2.387
  149   2HB   GLU  24          1HB       GLU  24 -13.251  -7.237   3.378
  150   1HG   GLU  24          2HG       GLU  24 -15.230  -8.772   3.539
  151   2HG   GLU  24          1HG       GLU  24 -16.066  -7.692   2.424
  152    H    CYS  25           H        CYS  25 -12.871  -6.480   5.679
  153    HA   CYS  25           HA       CYS  25 -12.190  -3.702   6.133
  154   1HB   CYS  25          2HB       CYS  25 -12.548  -5.118   8.132
  155   2HB   CYS  25          1HB       CYS  25 -11.459  -6.313   7.479
  156    H    LEU  26           H        LEU  26 -11.522  -4.220   3.611
  157    HA   LEU  26           HA       LEU  26  -9.067  -5.718   3.310
  158   1HB   LEU  26          2HB       LEU  26 -10.121  -3.674   1.334
  159   2HB   LEU  26          1HB       LEU  26  -9.156  -5.078   1.056
  160    HG   LEU  26           HG       LEU  26 -12.045  -5.189   1.925
  161   1HD1  LEU  26          1HD1      LEU  26 -10.754  -5.887  -0.747
  162   2HD1  LEU  26          2HD1      LEU  26 -11.792  -4.512  -0.442
  163   3HD1  LEU  26          3HD1      LEU  26 -12.435  -6.142  -0.334
  164   1HD2  LEU  26          1HD2      LEU  26 -10.167  -7.467   1.235
  165   2HD2  LEU  26          2HD2      LEU  26 -11.890  -7.605   1.549
  166   3HD2  LEU  26          3HD2      LEU  26 -10.808  -7.109   2.835
  167    H    CYS  27           H        CYS  27  -7.470  -4.272   1.777
  168    HA   CYS  27           HA       CYS  27  -6.121  -2.550   3.668
  169   1HB   CYS  27          2HB       CYS  27  -5.404  -3.578   0.963
  170   2HB   CYS  27          1HB       CYS  27  -4.392  -2.465   1.826
  171    HA   PRO  28           HA       PRO  28  -7.325   1.262   1.677
  172   1HB   PRO  28          2HB       PRO  28  -5.910   2.958   3.295
  173   2HB   PRO  28          1HB       PRO  28  -7.368   2.167   3.808
  174   1HG   PRO  28          2HG       PRO  28  -4.614   1.634   4.615
  175   2HG   PRO  28          1HG       PRO  28  -6.120   1.247   5.434
  176   1HD   PRO  28          2HD       PRO  28  -4.467  -0.509   3.891
  177   2HD   PRO  28          1HD       PRO  28  -6.002  -0.860   4.707
  178    H    ASP  29           H        ASP  29  -4.011   1.453   2.817
  179    HA   ASP  29           HA       ASP  29  -3.067   2.662   0.323
  180   1HB   ASP  29          2HB       ASP  29  -1.056   3.095   1.609
  181   2HB   ASP  29          1HB       ASP  29  -2.426   3.476   2.623
  182    H    GLY  30           H        GLY  30  -0.430   1.683   0.391
  183   1HA   GLY  30          2HA       GLY  30  -0.601  -0.595  -1.243
  184   2HA   GLY  30          1HA       GLY  30   0.870   0.142  -0.674
  185    H    PHE  31           H        PHE  31  -0.400  -0.489   2.167
  186    HA   PHE  31           HA       PHE  31   1.237  -2.752   2.747
  187   1HB   PHE  31          2HB       PHE  31  -1.069  -1.413   4.193
  188   2HB   PHE  31          1HB       PHE  31  -0.126  -2.689   4.911
  189    HD1  PHE  31           1HD      PHE  31   2.034  -0.756   2.746
  190    HD2  PHE  31           2HD      PHE  31   0.200  -0.683   6.610
  191    HE1  PHE  31           1HE      PHE  31   3.705   0.805   3.506
  192    HE2  PHE  31           2HE      PHE  31   1.909   0.898   7.357
  193    HZ   PHE  31           HZ       PHE  31   3.675   1.638   5.795
  194    H    GLN  32           H        GLN  32   0.223  -4.698   4.034
  195    HA   GLN  32           HA       GLN  32  -1.926  -5.873   2.306
  196   1HB   GLN  32          2HB       GLN  32   0.232  -6.698   1.577
  197   2HB   GLN  32          1HB       GLN  32   0.605  -7.241   3.208
  198   1HG   GLN  32          2HG       GLN  32  -1.330  -8.846   3.100
  199   2HG   GLN  32          1HG       GLN  32  -1.679  -8.293   1.467
  200   1HE2  GLN  32          1HE2      GLN  32   0.614 -10.097   3.460
  201   2HE2  GLN  32          2HE2      GLN  32   1.443 -10.822   2.167
  202    H    LEU  33           H        LEU  33  -3.377  -6.993   3.097
  203    HA   LEU  33           HA       LEU  33  -3.750  -7.240   6.018
  204   1HB   LEU  33          2HB       LEU  33  -5.517  -6.426   4.386
  205   2HB   LEU  33          1HB       LEU  33  -5.554  -8.025   3.686
  206    HG   LEU  33           HG       LEU  33  -6.260  -7.368   6.580
  207   1HD1  LEU  33          1HD1      LEU  33  -8.591  -7.772   5.812
  208   2HD1  LEU  33          2HD1      LEU  33  -8.006  -8.021   4.171
  209   3HD1  LEU  33          3HD1      LEU  33  -7.818  -6.454   4.938
  210   1HD2  LEU  33          1HD2      LEU  33  -6.657  -9.972   5.036
  211   2HD2  LEU  33          2HD2      LEU  33  -7.231  -9.637   6.650
  212   3HD2  LEU  33          3HD2      LEU  33  -5.517  -9.755   6.355
  213    H    VAL  34           H        VAL  34  -2.542  -8.750   6.769
  214    HA   VAL  34           HA       VAL  34  -2.568 -11.487   5.561
  215    HB   VAL  34           HB       VAL  34  -0.378 -10.378   5.414
  216   1HG1  VAL  34          1HG1      VAL  34  -0.525 -10.229   8.441
  217   2HG1  VAL  34          2HG1      VAL  34  -0.592  -8.864   7.332
  218   3HG1  VAL  34          3HG1      VAL  34   0.875  -9.826   7.457
  219   1HG2  VAL  34          1HG2      VAL  34  -0.422 -12.828   5.718
  220   2HG2  VAL  34          2HG2      VAL  34  -0.414 -12.636   7.464
  221   3HG2  VAL  34          3HG2      VAL  34   0.978 -12.137   6.521
  222    H    ALA  35           H        ALA  35  -2.824  -9.566   8.472
  223    HA   ALA  35           HA       ALA  35  -3.098 -11.808  10.211
  224   1HB   ALA  35          1HB       ALA  35  -3.573  -8.828  10.651
  225   2HB   ALA  35          2HB       ALA  35  -2.084  -9.691  11.000
  226   3HB   ALA  35          3HB       ALA  35  -3.526 -10.014  11.947
  227    H    GLN  36           H        GLN  36  -4.888 -11.800   8.119
  228    HA   GLN  36           HA       GLN  36  -7.098 -12.128   7.516
  229   1HB   GLN  36          2HB       GLN  36  -7.460 -12.706  10.481
  230   2HB   GLN  36          1HB       GLN  36  -8.532 -13.208   9.203
  231   1HG   GLN  36          2HG       GLN  36  -5.617 -14.119   9.464
  232   2HG   GLN  36          1HG       GLN  36  -7.026 -15.095   9.841
  233   1HE2  GLN  36          1HE2      GLN  36  -8.497 -15.638   7.995
  234   2HE2  GLN  36          2HE2      GLN  36  -7.864 -15.699   6.421
  235    H    ARG  37           H        ARG  37  -6.401  -9.353   9.026
  236    HA   ARG  37           HA       ARG  37  -9.139  -8.441   8.613
  237   1HB   ARG  37          2HB       ARG  37  -8.873  -9.539  11.019
  238   2HB   ARG  37          1HB       ARG  37  -8.014  -8.078  11.419
  239   1HG   ARG  37          2HG       ARG  37 -10.284  -7.717  12.082
  240   2HG   ARG  37          1HG       ARG  37 -10.062  -6.772  10.616
  241   1HD   ARG  37          2HD       ARG  37 -11.015  -8.725   9.267
  242   2HD   ARG  37          1HD       ARG  37 -11.227  -9.589  10.775
  243    HE   ARG  37           HE       ARG  37 -12.504  -6.979  10.848
  244   1HH1  ARG  37          2HH1      ARG  37 -12.818 -10.250   9.745
  245   2HH1  ARG  37          1HH1      ARG  37 -14.547 -10.200   9.736
  246   1HH2  ARG  37          1HH2      ARG  37 -14.691  -6.891  10.842
  247   2HH2  ARG  37          2HH2      ARG  37 -15.628  -8.269  10.366
  248    H    ARG  38           H        ARG  38  -6.457  -7.318  10.597
  249    HA   ARG  38           HA       ARG  38  -6.659  -4.607   9.553
  250   1HB   ARG  38          2HB       ARG  38  -6.089  -5.185  11.942
  251   2HB   ARG  38          1HB       ARG  38  -4.588  -5.888  11.392
  252   1HG   ARG  38          2HG       ARG  38  -4.130  -3.651  12.227
  253   2HG   ARG  38          1HG       ARG  38  -3.900  -3.633  10.490
  254   1HD   ARG  38          2HD       ARG  38  -6.183  -2.648  10.192
  255   2HD   ARG  38          1HD       ARG  38  -6.427  -2.715  11.936
  256    HE   ARG  38           HE       ARG  38  -4.016  -1.270  11.261
  257   1HH1  ARG  38          2HH1      ARG  38  -7.473  -1.073  11.415
  258   2HH1  ARG  38          1HH1      ARG  38  -7.480   0.642  11.644
  259   1HH2  ARG  38          1HH2      ARG  38  -4.003   0.909  11.541
  260   2HH2  ARG  38          2HH2      ARG  38  -5.488   1.783  11.713
  261    H    CYS  39           H        CYS  39  -5.399  -3.652   8.065
  262    HA   CYS  39           HA       CYS  39  -3.524  -5.372   6.538
  263   1HB   CYS  39          2HB       CYS  39  -5.288  -4.096   5.343
  264   2HB   CYS  39          1HB       CYS  39  -4.561  -2.607   5.896
  265    H    GLU  40           H        GLU  40  -1.433  -5.078   6.462
  266    HA   GLU  40           HA       GLU  40  -0.099  -2.605   7.215
  267   1HB   GLU  40          2HB       GLU  40  -0.618  -3.636   9.432
  268   2HB   GLU  40          1HB       GLU  40   0.230  -5.090   8.946
  269   1HG   GLU  40          2HG       GLU  40   2.353  -3.791   8.740
  270   2HG   GLU  40          1HG       GLU  40   1.502  -2.322   9.189
  271    H    ASP  41           H        ASP  41   2.152  -2.645   6.742
  272    HA   ASP  41           HA       ASP  41   2.954  -4.751   4.821
  273   1HB   ASP  41          2HB       ASP  41   2.859  -2.539   4.028
  274   2HB   ASP  41          1HB       ASP  41   3.919  -1.920   5.279
  275    H    ILE  42           H        ILE  42   5.039  -5.429   4.768
  276    HA   ILE  42           HA       ILE  42   6.143  -6.076   7.334
  277    HB   ILE  42           HB       ILE  42   6.028  -7.756   5.477
  278   1HG1  ILE  42          2HG1      ILE  42   8.950  -7.129   6.144
  279   2HG1  ILE  42          1HG1      ILE  42   7.860  -7.986   7.219
  280   1HG2  ILE  42          1HG2      ILE  42   8.044  -5.931   4.065
  281   2HG2  ILE  42          2HG2      ILE  42   6.377  -6.174   3.580
  282   3HG2  ILE  42          3HG2      ILE  42   7.514  -7.490   3.467
  283   1HD1  ILE  42          1HD1      ILE  42   9.293  -9.543   5.950
  284   2HD1  ILE  42          2HD1      ILE  42   8.723  -8.891   4.428
  285   3HD1  ILE  42          3HD1      ILE  42   7.617  -9.767   5.477
  286    H    ASP  43           H        ASP  43   8.656  -5.834   7.563
  287    HA   ASP  43           HA       ASP  43   9.482  -3.063   6.754
  288   1HB   ASP  43          2HB       ASP  43   9.318  -3.718   9.224
  289   2HB   ASP  43          1HB       ASP  43  10.612  -4.864   8.940
  290    H    GLU  44           H        GLU  44  10.655  -3.125   5.038
  291    HA   GLU  44           HA       GLU  44  11.953  -5.489   4.053
  292   1HB   GLU  44          2HB       GLU  44  12.400  -2.625   3.254
  293   2HB   GLU  44          1HB       GLU  44  12.760  -4.033   2.283
  294   1HG   GLU  44          2HG       GLU  44  10.778  -3.080   1.452
  295   2HG   GLU  44          1HG       GLU  44  10.278  -4.565   2.226
  296    H    CYS  45           H        CYS  45  12.990  -2.770   6.023
  297    HA   CYS  45           HA       CYS  45  15.760  -3.063   5.565
  298   1HB   CYS  45          2HB       CYS  45  14.276  -1.875   7.915
  299   2HB   CYS  45          1HB       CYS  45  15.978  -1.881   7.772
  300    H    GLN  46           H        GLN  46  13.955  -3.788   8.396
  301    HA   GLN  46           HA       GLN  46  15.599  -5.122  10.068
  302   1HB   GLN  46          2HB       GLN  46  12.745  -5.778   9.337
  303   2HB   GLN  46          1HB       GLN  46  13.546  -6.474  10.716
  304   1HG   GLN  46          2HG       GLN  46  13.202  -3.474  10.220
  305   2HG   GLN  46          1HG       GLN  46  12.194  -4.407  11.319
  306   1HE2  GLN  46          1HE2      GLN  46  13.672  -5.723  12.996
  307   2HE2  GLN  46          2HE2      GLN  46  14.933  -4.820  13.687
  308    H    ASP  47           H        ASP  47  14.223  -6.604   7.227
  309    HA   ASP  47           HA       ASP  47  15.187  -9.211   7.856
  310   1HB   ASP  47          2HB       ASP  47  13.182  -8.901   6.443
  311   2HB   ASP  47          1HB       ASP  47  14.148  -8.083   5.227
  312    HA   PRO  48           HA       PRO  48  19.294  -8.250   6.270
  313   1HB   PRO  48          2HB       PRO  48  20.472 -10.646   6.651
  314   2HB   PRO  48          1HB       PRO  48  19.986  -9.652   8.002
  315   1HG   PRO  48          2HG       PRO  48  18.535 -11.979   6.803
  316   2HG   PRO  48          1HG       PRO  48  18.839 -11.608   8.509
  317   1HD   PRO  48          2HD       PRO  48  16.485 -11.058   7.251
  318   2HD   PRO  48          1HD       PRO  48  17.100 -10.130   8.632
  319    H    ASP  49           H        ASP  49  18.192  -7.939   4.188
  320    HA   ASP  49           HA       ASP  49  19.316  -9.741   2.150
  321   1HB   ASP  49          2HB       ASP  49  17.010 -10.571   2.527
  322   2HB   ASP  49          1HB       ASP  49  16.401  -8.932   2.343
  323    H    THR  50           H        THR  50  17.540  -6.827   2.954
  324    HA   THR  50           HA       THR  50  18.120  -5.413   0.528
  325    HB   THR  50           HB       THR  50  17.138  -3.465   1.889
  326    HG1  THR  50           1HG      THR  50  17.418  -3.774   3.939
  327   1HG2  THR  50          1HG2      THR  50  15.607  -6.112   2.162
  328   2HG2  THR  50          2HG2      THR  50  15.609  -5.137   0.700
  329   3HG2  THR  50          3HG2      THR  50  14.907  -4.501   2.176
  330    H    CYS  51           H        CYS  51  18.968  -3.803   3.548
  331    HA   CYS  51           HA       CYS  51  21.465  -2.869   2.363
  332   1HB   CYS  51          2HB       CYS  51  20.473  -2.489   5.184
  333   2HB   CYS  51          1HB       CYS  51  21.490  -1.434   4.237
  334    H    SER  52           H        SER  52  23.657  -3.317   3.307
  335    HA   SER  52           HA       SER  52  23.923  -6.025   4.225
  336   1HB   SER  52          2HB       SER  52  26.344  -5.395   4.359
  337   2HB   SER  52          1HB       SER  52  25.652  -4.807   2.842
  338    HG   SER  52           HG       SER  52  26.813  -3.210   4.113
  339    H    GLN  53           H        GLN  53  23.630  -2.941   5.692
  340    HA   GLN  53           HA       GLN  53  23.719  -4.139   8.404
  341   1HB   GLN  53          2HB       GLN  53  25.201  -1.698   7.434
  342   2HB   GLN  53          1HB       GLN  53  24.969  -2.033   9.125
  343   1HG   GLN  53          2HG       GLN  53  26.387  -3.803   7.117
  344   2HG   GLN  53          1HG       GLN  53  27.173  -2.755   8.298
  345   1HE2  GLN  53          1HE2      GLN  53  25.869  -3.225  10.643
  346   2HE2  GLN  53          2HE2      GLN  53  25.943  -4.866  11.077
  347    H    LEU  54           H        LEU  54  23.724  -0.745   8.211
  348    HA   LEU  54           HA       LEU  54  21.215  -0.498   9.523
  349   1HB   LEU  54          2HB       LEU  54  23.222   0.724  10.068
  350   2HB   LEU  54          1HB       LEU  54  23.357   1.340   8.444
  351    HG   LEU  54           HG       LEU  54  20.925   2.052  10.139
  352   1HD1  LEU  54          1HD1      LEU  54  23.073   2.639  11.346
  353   2HD1  LEU  54          2HD1      LEU  54  22.226   4.074  10.777
  354   3HD1  LEU  54          3HD1      LEU  54  23.635   3.474   9.905
  355   1HD2  LEU  54          1HD2      LEU  54  22.556   3.392   7.957
  356   2HD2  LEU  54          2HD2      LEU  54  21.034   4.011   8.594
  357   3HD2  LEU  54          3HD2      LEU  54  21.057   2.574   7.601
  358    H    CYS  55           H        CYS  55  19.577   0.846   8.865
  359    HA   CYS  55           HA       CYS  55  19.133   1.522   6.051
  360   1HB   CYS  55          2HB       CYS  55  18.765  -0.964   6.146
  361   2HB   CYS  55          1HB       CYS  55  17.601  -0.763   7.372
  362    H    VAL  56           H        VAL  56  16.530   1.935   5.945
  363    HA   VAL  56           HA       VAL  56  15.476   3.133   8.400
  364    HB   VAL  56           HB       VAL  56  16.985   4.922   7.626
  365   1HG1  VAL  56          1HG1      VAL  56  17.214   4.350   5.239
  366   2HG1  VAL  56          2HG1      VAL  56  16.764   6.029   5.436
  367   3HG1  VAL  56          3HG1      VAL  56  15.567   4.864   4.920
  368   1HG2  VAL  56          1HG2      VAL  56  14.836   5.644   8.573
  369   2HG2  VAL  56          2HG2      VAL  56  14.085   5.602   6.988
  370   3HG2  VAL  56          3HG2      VAL  56  15.349   6.770   7.329
  371    H    ASN  57           H        ASN  57  13.769   1.905   8.258
  372    HA   ASN  57           HA       ASN  57  12.183   1.591   5.816
  373   1HB   ASN  57          2HB       ASN  57  12.543  -0.316   7.360
  374   2HB   ASN  57          1HB       ASN  57  11.701   0.555   8.631
  375   1HD2  ASN  57          1HD2      ASN  57   9.697  -0.454   8.862
  376   2HD2  ASN  57          2HD2      ASN  57   8.662  -0.854   7.577
  377    H    LEU  58           H        LEU  58   9.946   1.816   5.849
  378    HA   LEU  58           HA       LEU  58   8.344   3.493   7.535
  379   1HB   LEU  58          2HB       LEU  58   8.113   5.492   6.116
  380   2HB   LEU  58          1HB       LEU  58   9.757   5.339   6.631
  381    HG   LEU  58           HG       LEU  58   8.898   4.371   3.868
  382   1HD1  LEU  58          1HD1      LEU  58   8.430   6.827   4.134
  383   2HD1  LEU  58          2HD1      LEU  58   9.777   6.538   3.047
  384   3HD1  LEU  58          3HD1      LEU  58  10.077   7.073   4.694
  385   1HD2  LEU  58          1HD2      LEU  58  11.328   4.682   3.447
  386   2HD2  LEU  58          2HD2      LEU  58  11.100   3.556   4.760
  387   3HD2  LEU  58          3HD2      LEU  58  11.567   5.213   5.093
  388    H    GLU  59           H        GLU  59   6.876   4.501   5.339
  389    HA   GLU  59           HA       GLU  59   5.218   2.217   4.799
  390   1HB   GLU  59          2HB       GLU  59   4.314   4.593   5.054
  391   2HB   GLU  59          1HB       GLU  59   5.141   5.038   3.575
  392   1HG   GLU  59          2HG       GLU  59   3.681   3.425   2.284
  393   2HG   GLU  59          1HG       GLU  59   2.890   2.981   3.782
  394    H    GLY  60           H        GLY  60   6.619   0.873   4.012
  395   1HA   GLY  60          2HA       GLY  60   7.550  -0.443   2.418
  396   2HA   GLY  60          1HA       GLY  60   6.347   0.265   1.352
  397    H    GLY  61           H        GLY  61   8.008   2.814   2.399
  398   1HA   GLY  61          2HA       GLY  61   9.631   3.064  -0.043
  399   2HA   GLY  61          1HA       GLY  61   9.304   4.326   1.134
  400    H    TYR  62           H        TYR  62  10.458   1.515   2.488
  401    HA   TYR  62           HA       TYR  62  12.616   2.414   3.870
  402   1HB   TYR  62          2HB       TYR  62  13.526   0.188   3.989
  403   2HB   TYR  62          1HB       TYR  62  11.784   0.025   3.871
  404    HD1  TYR  62           1HD      TYR  62  10.865  -0.172   1.329
  405    HD2  TYR  62           2HD      TYR  62  14.857  -1.022   2.529
  406    HE1  TYR  62           1HE      TYR  62  11.195  -1.499  -0.700
  407    HE2  TYR  62           2HE      TYR  62  15.187  -2.349   0.506
  408    HH   TYR  62           HH       TYR  62  13.009  -2.283  -2.110
  409    H    LYS  63           H        LYS  63  14.781   2.667   3.743
  410    HA   LYS  63           HA       LYS  63  16.124   2.390   1.103
  411   1HB   LYS  63          2HB       LYS  63  15.312   4.673   1.155
  412   2HB   LYS  63          1HB       LYS  63  16.057   4.969   2.723
  413   1HG   LYS  63          2HG       LYS  63  18.290   4.698   1.662
  414   2HG   LYS  63          1HG       LYS  63  17.525   4.346   0.117
  415   1HD   LYS  63          2HD       LYS  63  16.495   6.631   0.176
  416   2HD   LYS  63          1HD       LYS  63  17.279   6.936   1.719
  417   1HE   LYS  63          2HE       LYS  63  19.510   6.628   0.647
  418   2HE   LYS  63          1HE       LYS  63  18.725   6.322  -0.897
  419   1HZ   LYS  63          1HZ       LYS  63  19.170   8.523  -1.056
  420   2HZ   LYS  63          2HZ       LYS  63  18.965   8.819   0.605
  421   3HZ   LYS  63          3HZ       LYS  63  17.608   8.596  -0.393
  422    H    CYS  64           H        CYS  64  18.335   2.660   1.250
  423    HA   CYS  64           HA       CYS  64  19.472   1.604   3.780
  424   1HB   CYS  64          2HB       CYS  64  20.458   1.375   0.969
  425   2HB   CYS  64          1HB       CYS  64  21.253   0.758   2.361
  426    H    GLN  65           H        GLN  65  21.488   2.010   4.320
  427    HA   GLN  65           HA       GLN  65  23.033   4.314   3.351
  428   1HB   GLN  65          2HB       GLN  65  22.151   4.204   6.256
  429   2HB   GLN  65          1HB       GLN  65  23.054   5.470   5.492
  430   1HG   GLN  65          2HG       GLN  65  21.125   6.142   4.115
  431   2HG   GLN  65          1HG       GLN  65  20.146   4.864   4.830
  432   1HE2  GLN  65          1HE2      GLN  65  19.454   5.089   7.037
  433   2HE2  GLN  65          2HE2      GLN  65  19.567   6.571   7.858
  434    H    CYS  66           H        CYS  66  24.800   4.362   5.431
  435    HA   CYS  66           HA       CYS  66  25.785   1.537   5.587
  436   1HB   CYS  66          2HB       CYS  66  27.384   4.098   5.683
  437   2HB   CYS  66          1HB       CYS  66  27.931   2.519   5.530
  438    H    GLU  67           H        GLU  67  26.984   0.933   7.234
  439    HA   GLU  67           HA       GLU  67  26.012   1.787   9.874
  440   1HB   GLU  67          2HB       GLU  67  26.233  -0.605   9.045
  441   2HB   GLU  67          1HB       GLU  67  27.957  -0.447   9.133
  442   1HG   GLU  67          2HG       GLU  67  27.184  -1.540  11.187
  443   2HG   GLU  67          1HG       GLU  67  27.779   0.054  11.607
  444    H    GLU  68           H        GLU  68  27.264   3.856   9.187
  445    HA   GLU  68           HA       GLU  68  28.996   5.356   9.625
  446   1HB   GLU  68          2HB       GLU  68  29.780   3.237  11.704
  447   2HB   GLU  68          1HB       GLU  68  30.386   4.867  11.664
  448   1HG   GLU  68          2HG       GLU  68  27.463   4.023  12.034
  449   2HG   GLU  68          1HG       GLU  68  28.516   4.637  13.292
  450    H    GLY  69           H        GLY  69  30.895   2.504  10.372
  451   1HA   GLY  69          2HA       GLY  69  33.208   3.202   8.995
  452   2HA   GLY  69          1HA       GLY  69  32.803   1.560   9.474
  453    H    PHE  70           H        PHE  70  30.313   1.706   7.823
  454    HA   PHE  70           HA       PHE  70  31.452   0.699   5.419
  455   1HB   PHE  70          2HB       PHE  70  28.665   1.053   6.456
  456   2HB   PHE  70          1HB       PHE  70  28.907   0.530   4.796
  457    HD1  PHE  70           1HD      PHE  70  30.994  -0.535   7.726
  458    HD2  PHE  70           2HD      PHE  70  27.894  -1.591   5.009
  459    HE1  PHE  70           1HE      PHE  70  31.097  -2.844   8.520
  460    HE2  PHE  70           2HE      PHE  70  28.013  -3.907   5.794
  461    HZ   PHE  70           HZ       PHE  70  29.609  -4.545   7.549
  462    H    GLN  71           H        GLN  71  30.826   1.447   3.271
  463    HA   GLN  71           HA       GLN  71  30.084   4.253   3.032
  464   1HB   GLN  71          2HB       GLN  71  32.597   2.878   2.192
  465   2HB   GLN  71          1HB       GLN  71  31.989   4.089   1.123
  466   1HG   GLN  71          2HG       GLN  71  32.566   4.517   4.106
  467   2HG   GLN  71          1HG       GLN  71  33.611   5.059   2.794
  468   1HE2  GLN  71          1HE2      GLN  71  32.501   6.962   4.550
  469   2HE2  GLN  71          2HE2      GLN  71  31.345   7.890   3.724
  470    H    LEU  72           H        LEU  72  29.993   4.856   0.776
  471    HA   LEU  72           HA       LEU  72  27.961   3.140  -0.472
  472   1HB   LEU  72          2HB       LEU  72  27.755   5.625  -0.437
  473   2HB   LEU  72          1HB       LEU  72  29.166   5.749  -1.467
  474    HG   LEU  72           HG       LEU  72  27.951   4.308  -3.179
  475   1HD1  LEU  72          1HD1      LEU  72  25.553   4.764  -1.366
  476   2HD1  LEU  72          2HD1      LEU  72  26.306   3.212  -1.691
  477   3HD1  LEU  72          3HD1      LEU  72  25.498   4.082  -2.979
  478   1HD2  LEU  72          1HD2      LEU  72  26.469   6.150  -3.958
  479   2HD2  LEU  72          2HD2      LEU  72  28.004   6.785  -3.379
  480   3HD2  LEU  72          3HD2      LEU  72  26.568   6.903  -2.370
  481    H    ASP  73           H        ASP  73  28.790   1.376  -1.356
  482    HA   ASP  73           HA       ASP  73  31.315   1.279  -2.790
  483   1HB   ASP  73          2HB       ASP  73  30.347  -0.716  -1.622
  484   2HB   ASP  73          1HB       ASP  73  29.030  -0.760  -2.782
  485    HA   PRO  74           HA       PRO  74  29.492   2.771  -6.618
  486   1HB   PRO  74          2HB       PRO  74  31.597   2.517  -8.260
  487   2HB   PRO  74          1HB       PRO  74  31.614   3.683  -6.958
  488   1HG   PRO  74          2HG       PRO  74  32.815   0.939  -6.990
  489   2HG   PRO  74          1HG       PRO  74  33.537   2.473  -6.473
  490   1HD   PRO  74          2HD       PRO  74  32.483   0.700  -4.725
  491   2HD   PRO  74          1HD       PRO  74  32.464   2.449  -4.437
  492    H    HIS  75           H        HIS  75  29.102   2.055  -8.791
  493    HA   HIS  75           HA       HIS  75  28.271   0.558 -10.368
  494   1HB   HIS  75          2HB       HIS  75  30.285  -1.379  -9.128
  495   2HB   HIS  75          1HB       HIS  75  29.501  -1.557 -10.689
  496    HD1  HIS  75           1HD      HIS  75  32.042   0.546  -8.998
  497    HD2  HIS  75           2HD      HIS  75  30.556   0.046 -12.769
  498    HE1  HIS  75           1HE      HIS  75  33.533   1.810 -10.507
  499    H    THR  76           H        THR  76  27.738   0.287  -7.250
  500    HA   THR  76           HA       THR  76  25.612  -1.771  -7.508
  501    HB   THR  76           HB       THR  76  26.203  -2.574  -5.168
  502    HG1  THR  76           1HG      THR  76  28.461  -0.939  -5.632
  503   1HG2  THR  76          1HG2      THR  76  28.662  -2.651  -7.035
  504   2HG2  THR  76          2HG2      THR  76  27.321  -3.775  -7.181
  505   3HG2  THR  76          3HG2      THR  76  28.321  -3.782  -5.739
  506    H    LYS  77           H        LYS  77  27.032   0.818  -5.797
  507    HA   LYS  77           HA       LYS  77  26.211   2.659  -4.611
  508   1HB   LYS  77          2HB       LYS  77  23.658   1.840  -5.790
  509   2HB   LYS  77          1HB       LYS  77  23.923   3.370  -4.998
  510   1HG   LYS  77          2HG       LYS  77  25.716   3.893  -6.701
  511   2HG   LYS  77          1HG       LYS  77  25.369   2.381  -7.511
  512   1HD   LYS  77          2HD       LYS  77  24.238   4.211  -8.685
  513   2HD   LYS  77          1HD       LYS  77  23.043   3.147  -7.970
  514   1HE   LYS  77          2HE       LYS  77  22.756   4.745  -6.067
  515   2HE   LYS  77          1HE       LYS  77  23.982   5.794  -6.765
  516   1HZ   LYS  77          1HZ       LYS  77  21.247   5.642  -7.344
  517   2HZ   LYS  77          2HZ       LYS  77  22.114   5.245  -8.748
  518   3HZ   LYS  77          3HZ       LYS  77  22.407   6.719  -7.958
  519    H    ALA  78           H        ALA  78  26.085  -0.237  -3.748
  520    HA   ALA  78           HA       ALA  78  24.080  -0.139  -1.553
  521   1HB   ALA  78          1HB       ALA  78  24.109  -2.153  -3.007
  522   2HB   ALA  78          2HB       ALA  78  24.571  -2.568  -1.361
  523   3HB   ALA  78          3HB       ALA  78  25.802  -2.413  -2.609
  524    H    CYS  79           H        CYS  79  24.720  -0.120   0.564
  525    HA   CYS  79           HA       CYS  79  27.458   0.684   1.085
  526   1HB   CYS  79          2HB       CYS  79  25.118   0.252   2.898
  527   2HB   CYS  79          1HB       CYS  79  26.692   0.638   3.520
  528    H    LYS  80           H        LYS  80  28.992  -0.223   2.178
  529    HA   LYS  80           HA       LYS  80  28.735  -2.766   3.567
  530   1HB   LYS  80          2HB       LYS  80  30.424  -3.823   2.432
  531   2HB   LYS  80          1HB       LYS  80  29.020  -3.697   1.365
  532   1HG   LYS  80          2HG       LYS  80  30.127  -1.639   0.306
  533   2HG   LYS  80          1HG       LYS  80  31.580  -1.998   1.209
  534   1HD   LYS  80          2HD       LYS  80  30.323  -3.830  -0.869
  535   2HD   LYS  80          1HD       LYS  80  31.717  -2.810  -1.123
  536   1HE   LYS  80          2HE       LYS  80  32.478  -5.092  -0.725
  537   2HE   LYS  80          1HE       LYS  80  32.970  -4.088   0.626
  538   1HZ   LYS  80          1HZ       LYS  80  31.680  -5.199   2.033
  539   2HZ   LYS  80          2HZ       LYS  80  31.717  -6.421   0.855
  540   3HZ   LYS  80          3HZ       LYS  80  30.396  -5.359   0.931
  541    H    ALA  81           H        ALA  81  31.047  -3.326   4.469
  542    HA   ALA  81           HA       ALA  81  32.264  -1.220   5.839
  543   1HB   ALA  81          1HB       ALA  81  34.200  -2.742   6.146
  544   2HB   ALA  81          2HB       ALA  81  33.595  -3.765   4.851
  545   3HB   ALA  81          3HB       ALA  81  32.681  -3.602   6.342
  546    H    VAL  82           H        VAL  82  33.503   0.488   5.294
  547    HA   VAL  82           HA       VAL  82  34.154   1.212   2.711
  548    HB   VAL  82           HB       VAL  82  34.178   2.755   4.641
  549   1HG1  VAL  82          1HG1      VAL  82  36.797   1.382   5.427
  550   2HG1  VAL  82          2HG1      VAL  82  35.294   1.242   6.310
  551   3HG1  VAL  82          3HG1      VAL  82  36.106   2.792   6.210
  552   1HG2  VAL  82          1HG2      VAL  82  36.178   4.079   4.051
  553   2HG2  VAL  82          2HG2      VAL  82  35.378   3.464   2.616
  554   3HG2  VAL  82          3HG2      VAL  82  36.853   2.705   3.191
  Start of MODEL   30
    1    H    GLY   1           H        GLY   1 -25.208  -6.044  -6.414
    2   1HA   GLY   1          2HA       GLY   1 -22.475  -6.155  -5.370
    3   2HA   GLY   1          1HA       GLY   1 -22.646  -5.223  -6.859
    4    H    THR   2           H        THR   2 -23.864  -5.537  -3.579
    5    HA   THR   2           HA       THR   2 -25.466  -3.317  -3.282
    6    HB   THR   2           HB       THR   2 -23.488  -4.381  -1.214
    7    HG1  THR   2           1HG      THR   2 -26.132  -5.039  -2.026
    8   1HG2  THR   2          1HG2      THR   2 -26.163  -2.995  -0.773
    9   2HG2  THR   2          2HG2      THR   2 -24.601  -2.263  -0.440
   10   3HG2  THR   2          3HG2      THR   2 -25.109  -3.665   0.466
   11    H    ASN   3           H        ASN   3 -25.060  -1.313  -2.158
   12    HA   ASN   3           HA       ASN   3 -22.536   0.009  -3.036
   13   1HB   ASN   3          2HB       ASN   3 -24.788   0.740  -3.969
   14   2HB   ASN   3          1HB       ASN   3 -25.265   1.198  -2.350
   15   1HD2  ASN   3          1HD2      ASN   3 -25.377   3.259  -4.010
   16   2HD2  ASN   3          2HD2      ASN   3 -24.052   4.309  -3.851
   17    H    GLU   4           H        GLU   4 -21.985  -1.382  -0.979
   18    HA   GLU   4           HA       GLU   4 -22.759  -0.505   1.607
   19   1HB   GLU   4          2HB       GLU   4 -20.955  -1.854   2.421
   20   2HB   GLU   4          1HB       GLU   4 -21.670  -2.705   1.091
   21   1HG   GLU   4          2HG       GLU   4 -19.072  -1.125   0.936
   22   2HG   GLU   4          1HG       GLU   4 -19.168  -2.849   1.144
   23    H    CYS   5           H        CYS   5 -21.146   1.195  -0.650
   24    HA   CYS   5           HA       CYS   5 -19.053   2.434   0.776
   25   1HB   CYS   5          2HB       CYS   5 -20.638   3.324  -1.628
   26   2HB   CYS   5          1HB       CYS   5 -19.149   4.044  -1.114
   27    H    LEU   6           H        LEU   6 -22.352   3.159   0.143
   28    HA   LEU   6           HA       LEU   6 -22.809   5.732   0.910
   29   1HB   LEU   6          2HB       LEU   6 -24.520   3.322   1.573
   30   2HB   LEU   6          1HB       LEU   6 -25.079   4.979   1.505
   31    HG   LEU   6           HG       LEU   6 -23.920   3.419  -0.845
   32   1HD1  LEU   6          1HD1      LEU   6 -26.253   3.492  -1.701
   33   2HD1  LEU   6          2HD1      LEU   6 -26.768   4.295  -0.224
   34   3HD1  LEU   6          3HD1      LEU   6 -26.163   2.644  -0.164
   35   1HD2  LEU   6          1HD2      LEU   6 -23.491   5.897  -1.042
   36   2HD2  LEU   6          2HD2      LEU   6 -25.197   6.206  -0.762
   37   3HD2  LEU   6          3HD2      LEU   6 -24.676   5.377  -2.216
   38    H    ASP   7           H        ASP   7 -22.947   3.008   3.133
   39    HA   ASP   7           HA       ASP   7 -22.954   4.793   5.530
   40   1HB   ASP   7          2HB       ASP   7 -24.477   2.706   5.282
   41   2HB   ASP   7          1HB       ASP   7 -22.998   1.758   5.316
   42    H    ASN   8           H        ASN   8 -21.458   3.085   7.160
   43    HA   ASN   8           HA       ASN   8 -18.866   3.985   6.966
   44   1HB   ASN   8          2HB       ASN   8 -19.895   1.446   7.988
   45   2HB   ASN   8          1HB       ASN   8 -18.296   2.021   8.401
   46   1HD2  ASN   8          1HD2      ASN   8 -18.137   3.773   9.913
   47   2HD2  ASN   8          2HD2      ASN   8 -19.475   4.380  10.764
   48    H    ASN   9           H        ASN   9 -17.369   3.644   5.416
   49    HA   ASN   9           HA       ASN   9 -17.574   2.324   3.047
   50   1HB   ASN   9          2HB       ASN   9 -15.809   3.892   3.732
   51   2HB   ASN   9          1HB       ASN   9 -15.105   2.620   4.730
   52   1HD2  ASN   9          1HD2      ASN   9 -13.976   0.922   3.762
   53   2HD2  ASN   9          2HD2      ASN   9 -13.476   0.986   2.149
   54    H    GLY  10           H        GLY  10 -18.676   0.343   3.373
   55   1HA   GLY  10          2HA       GLY  10 -18.773  -1.947   3.233
   56   2HA   GLY  10          1HA       GLY  10 -17.025  -1.972   3.353
   57    H    GLY  11           H        GLY  11 -17.608  -0.211   5.849
   58   1HA   GLY  11          2HA       GLY  11 -18.895  -0.966   7.987
   59   2HA   GLY  11          1HA       GLY  11 -17.824  -2.374   7.859
   60    H    CYS  12           H        CYS  12 -16.361   0.272   6.502
   61    HA   CYS  12           HA       CYS  12 -14.938   1.140   8.935
   62   1HB   CYS  12          2HB       CYS  12 -13.852   0.496   6.196
   63   2HB   CYS  12          1HB       CYS  12 -12.963   0.991   7.583
   64    H    SER  13           H        SER  13 -13.319   2.640   6.744
   65    HA   SER  13           HA       SER  13 -15.139   4.552   5.557
   66   1HB   SER  13          2HB       SER  13 -14.471   6.488   6.973
   67   2HB   SER  13          1HB       SER  13 -15.285   5.244   7.928
   68    HG   SER  13           HG       SER  13 -12.473   5.518   7.596
   69    H    HIS  14           H        HIS  14 -13.196   2.959   4.475
   70    HA   HIS  14           HA       HIS  14 -11.031   4.813   3.662
   71   1HB   HIS  14          2HB       HIS  14 -11.080   1.774   3.941
   72   2HB   HIS  14          1HB       HIS  14  -9.712   2.733   3.434
   73    HD1  HIS  14           1HD      HIS  14 -11.239   1.457   6.358
   74    HD2  HIS  14           2HD      HIS  14  -8.858   4.673   5.584
   75    HE1  HIS  14           1HE      HIS  14 -10.351   2.203   8.546
   76    H    VAL  15           H        VAL  15 -10.948   2.019   1.898
   77    HA   VAL  15           HA       VAL  15 -12.503   3.178  -0.355
   78    HB   VAL  15           HB       VAL  15 -10.078   2.864  -0.629
   79   1HG1  VAL  15          1HG1      VAL  15 -10.511  -0.118  -0.246
   80   2HG1  VAL  15          2HG1      VAL  15  -9.638   0.985   0.802
   81   3HG1  VAL  15          3HG1      VAL  15  -9.045   0.646  -0.812
   82   1HG2  VAL  15          1HG2      VAL  15 -10.196   1.531  -2.800
   83   2HG2  VAL  15          2HG2      VAL  15 -11.562   2.624  -2.650
   84   3HG2  VAL  15          3HG2      VAL  15 -11.762   0.914  -2.309
   85    H    CYS  16           H        CYS  16 -14.414   2.295  -0.603
   86    HA   CYS  16           HA       CYS  16 -15.172  -0.233   0.603
   87   1HB   CYS  16          2HB       CYS  16 -17.364   0.346  -0.398
   88   2HB   CYS  16          1HB       CYS  16 -16.726   1.625   0.581
   89    H    ASN  17           H        ASN  17 -13.792  -1.698  -0.403
   90    HA   ASN  17           HA       ASN  17 -13.792  -2.002  -3.303
   91   1HB   ASN  17          2HB       ASN  17 -11.828  -2.531  -2.067
   92   2HB   ASN  17          1HB       ASN  17 -12.677  -3.544  -0.942
   93   1HD2  ASN  17          1HD2      ASN  17 -10.636  -4.772  -1.845
   94   2HD2  ASN  17          2HD2      ASN  17 -10.954  -5.884  -3.069
   95    H    ASP  18           H        ASP  18 -15.609  -2.440  -4.085
   96    HA   ASP  18           HA       ASP  18 -17.722  -3.952  -2.860
   97   1HB   ASP  18          2HB       ASP  18 -18.094  -2.056  -4.432
   98   2HB   ASP  18          1HB       ASP  18 -17.434  -3.018  -5.739
   99    H    LEU  19           H        LEU  19 -16.451  -5.837  -2.446
  100    HA   LEU  19           HA       LEU  19 -15.473  -7.664  -4.336
  101   1HB   LEU  19          2HB       LEU  19 -15.220  -7.449  -1.737
  102   2HB   LEU  19          1HB       LEU  19 -16.767  -8.240  -1.663
  103    HG   LEU  19           HG       LEU  19 -15.845 -10.219  -2.869
  104   1HD1  LEU  19          1HD1      LEU  19 -13.369 -10.335  -3.079
  105   2HD1  LEU  19          2HD1      LEU  19 -13.242  -8.692  -2.458
  106   3HD1  LEU  19          3HD1      LEU  19 -13.985  -8.988  -4.018
  107   1HD2  LEU  19          1HD2      LEU  19 -14.614 -11.011  -0.866
  108   2HD2  LEU  19          2HD2      LEU  19 -16.032 -10.080  -0.432
  109   3HD2  LEU  19          3HD2      LEU  19 -14.446  -9.348  -0.312
  110    H    LYS  20           H        LYS  20 -16.563  -9.919  -4.638
  111    HA   LYS  20           HA       LYS  20 -19.172  -9.489  -5.799
  112   1HB   LYS  20          2HB       LYS  20 -19.104 -11.910  -6.262
  113   2HB   LYS  20          1HB       LYS  20 -17.584 -11.159  -6.703
  114   1HG   LYS  20          2HG       LYS  20 -16.566 -11.960  -4.547
  115   2HG   LYS  20          1HG       LYS  20 -18.067 -12.777  -4.157
  116   1HD   LYS  20          2HD       LYS  20 -16.378 -13.380  -6.605
  117   2HD   LYS  20          1HD       LYS  20 -16.411 -14.334  -5.137
  118   1HE   LYS  20          2HE       LYS  20 -18.845 -14.794  -5.493
  119   2HE   LYS  20          1HE       LYS  20 -18.803 -13.864  -6.984
  120   1HZ   LYS  20          1HZ       LYS  20 -17.122 -15.375  -7.832
  121   2HZ   LYS  20          2HZ       LYS  20 -18.575 -16.171  -7.457
  122   3HZ   LYS  20          3HZ       LYS  20 -17.239 -16.305  -6.415
  123    H    ILE  21           H        ILE  21 -17.986 -11.157  -2.897
  124    HA   ILE  21           HA       ILE  21 -20.542 -10.745  -1.519
  125    HB   ILE  21           HB       ILE  21 -19.107 -13.420  -1.854
  126   1HG1  ILE  21          2HG1      ILE  21 -21.893 -12.565  -2.781
  127   2HG1  ILE  21          1HG1      ILE  21 -20.515 -12.839  -3.827
  128   1HG2  ILE  21          1HG2      ILE  21 -21.566 -12.696  -0.212
  129   2HG2  ILE  21          2HG2      ILE  21 -19.985 -13.109   0.440
  130   3HG2  ILE  21          3HG2      ILE  21 -20.926 -14.328  -0.391
  131   1HD1  ILE  21          1HD1      ILE  21 -20.443 -15.220  -3.176
  132   2HD1  ILE  21          2HD1      ILE  21 -21.997 -14.784  -3.867
  133   3HD1  ILE  21          3HD1      ILE  21 -21.839 -14.992  -2.135
  134    H    GLY  22           H        GLY  22 -19.933  -9.712   0.308
  135   1HA   GLY  22          2HA       GLY  22 -18.942  -9.480   2.394
  136   2HA   GLY  22          1HA       GLY  22 -17.808 -10.724   1.950
  137    H    TYR  23           H        TYR  23 -18.671  -7.615   0.719
  138    HA   TYR  23           HA       TYR  23 -16.508  -6.478  -0.447
  139   1HB   TYR  23          2HB       TYR  23 -18.007  -4.860   1.603
  140   2HB   TYR  23          1HB       TYR  23 -17.365  -4.337   0.059
  141    HD1  TYR  23           1HD      TYR  23 -20.314  -5.346   1.651
  142    HD2  TYR  23           2HD      TYR  23 -18.292  -5.734  -2.049
  143    HE1  TYR  23           1HE      TYR  23 -22.431  -5.931   0.552
  144    HE2  TYR  23           2HE      TYR  23 -20.394  -6.311  -3.158
  145    HH   TYR  23           HH       TYR  23 -22.753  -6.027  -2.841
  146    H    GLU  24           H        GLU  24 -14.735  -5.067   0.194
  147    HA   GLU  24           HA       GLU  24 -13.891  -5.447   3.001
  148   1HB   GLU  24          2HB       GLU  24 -11.624  -5.886   1.921
  149   2HB   GLU  24          1HB       GLU  24 -12.795  -7.187   1.970
  150   1HG   GLU  24          2HG       GLU  24 -13.371  -6.503  -0.470
  151   2HG   GLU  24          1HG       GLU  24 -12.024  -5.393  -0.371
  152    H    CYS  25           H        CYS  25 -12.473  -4.272   3.892
  153    HA   CYS  25           HA       CYS  25 -12.378  -1.489   3.257
  154   1HB   CYS  25          2HB       CYS  25 -11.584  -3.032   5.712
  155   2HB   CYS  25          1HB       CYS  25 -11.639  -1.303   5.601
  156    H    LEU  26           H        LEU  26 -10.527  -1.895   1.466
  157    HA   LEU  26           HA       LEU  26  -7.899  -2.454   2.625
  158   1HB   LEU  26          2HB       LEU  26  -8.570  -1.372  -0.134
  159   2HB   LEU  26          1HB       LEU  26  -7.066  -1.988   0.414
  160    HG   LEU  26           HG       LEU  26  -7.864  -4.262   0.629
  161   1HD1  LEU  26          1HD1      LEU  26 -10.030  -4.938  -0.211
  162   2HD1  LEU  26          2HD1      LEU  26 -10.509  -3.272  -0.472
  163   3HD1  LEU  26          3HD1      LEU  26 -10.285  -3.897   1.153
  164   1HD2  LEU  26          1HD2      LEU  26  -8.563  -3.007  -2.057
  165   2HD2  LEU  26          2HD2      LEU  26  -8.218  -4.707  -1.794
  166   3HD2  LEU  26          3HD2      LEU  26  -6.959  -3.510  -1.552
  167    H    CYS  27           H        CYS  27  -6.353  -0.605   1.370
  168    HA   CYS  27           HA       CYS  27  -7.033   1.916   2.759
  169   1HB   CYS  27          2HB       CYS  27  -4.411   0.755   1.941
  170   2HB   CYS  27          1HB       CYS  27  -4.607   2.354   2.547
  171    HA   PRO  28           HA       PRO  28  -7.362   4.424  -0.904
  172   1HB   PRO  28          2HB       PRO  28  -5.345   6.073   0.583
  173   2HB   PRO  28          1HB       PRO  28  -6.788   6.577  -0.245
  174   1HG   PRO  28          2HG       PRO  28  -6.887   6.406   2.334
  175   2HG   PRO  28          1HG       PRO  28  -8.215   5.665   1.412
  176   1HD   PRO  28          2HD       PRO  28  -5.862   4.346   2.709
  177   2HD   PRO  28          1HD       PRO  28  -7.570   3.850   2.653
  178    H    ASP  29           H        ASP  29  -4.152   4.188   0.458
  179    HA   ASP  29           HA       ASP  29  -2.735   4.757  -1.999
  180   1HB   ASP  29          2HB       ASP  29  -0.740   4.439  -0.622
  181   2HB   ASP  29          1HB       ASP  29  -1.900   5.439   0.215
  182    H    GLY  30           H        GLY  30  -0.828   3.461  -2.487
  183   1HA   GLY  30          2HA       GLY  30  -1.439   1.183  -3.893
  184   2HA   GLY  30          1HA       GLY  30   0.181   1.673  -3.484
  185    H    PHE  31           H        PHE  31  -0.482   1.137  -0.496
  186    HA   PHE  31           HA       PHE  31   0.613  -1.462  -0.413
  187   1HB   PHE  31          2HB       PHE  31  -0.985   0.055   1.663
  188   2HB   PHE  31          1HB       PHE  31  -0.178  -1.442   1.970
  189    HD1  PHE  31           1HD      PHE  31   1.006  -0.039   3.771
  190    HD2  PHE  31           2HD      PHE  31   1.718   0.561  -0.400
  191    HE1  PHE  31           1HE      PHE  31   3.160   1.019   4.257
  192    HE2  PHE  31           2HE      PHE  31   3.832   1.606   0.103
  193    HZ   PHE  31           HZ       PHE  31   4.577   1.830   2.417
  194    H    GLN  32           H        GLN  32  -0.252  -3.317   0.602
  195    HA   GLN  32           HA       GLN  32  -2.907  -4.052  -0.497
  196   1HB   GLN  32          2HB       GLN  32  -0.468  -5.696   0.212
  197   2HB   GLN  32          1HB       GLN  32  -1.972  -6.345  -0.383
  198   1HG   GLN  32          2HG       GLN  32  -1.715  -4.974  -2.480
  199   2HG   GLN  32          1HG       GLN  32  -0.196  -4.337  -1.859
  200   1HE2  GLN  32          1HE2      GLN  32  -1.761  -7.201  -3.194
  201   2HE2  GLN  32          2HE2      GLN  32  -0.338  -8.096  -3.417
  202    H    LEU  33           H        LEU  33  -4.501  -4.494   0.823
  203    HA   LEU  33           HA       LEU  33  -4.275  -4.298   3.669
  204   1HB   LEU  33          2HB       LEU  33  -6.381  -3.954   2.243
  205   2HB   LEU  33          1HB       LEU  33  -6.505  -5.694   2.122
  206    HG   LEU  33           HG       LEU  33  -6.449  -5.744   4.701
  207   1HD1  LEU  33          1HD1      LEU  33  -6.921  -2.749   4.337
  208   2HD1  LEU  33          2HD1      LEU  33  -5.504  -3.468   5.057
  209   3HD1  LEU  33          3HD1      LEU  33  -7.062  -3.626   5.838
  210   1HD2  LEU  33          1HD2      LEU  33  -8.802  -4.363   3.379
  211   2HD2  LEU  33          2HD2      LEU  33  -8.833  -5.168   4.939
  212   3HD2  LEU  33          3HD2      LEU  33  -8.537  -6.095   3.478
  213    H    VAL  34           H        VAL  34  -3.013  -5.739   4.715
  214    HA   VAL  34           HA       VAL  34  -3.407  -8.651   4.154
  215    HB   VAL  34           HB       VAL  34  -1.267  -7.868   3.299
  216   1HG1  VAL  34          1HG1      VAL  34  -0.919  -5.946   4.786
  217   2HG1  VAL  34          2HG1      VAL  34   0.473  -7.023   4.807
  218   3HG1  VAL  34          3HG1      VAL  34  -0.656  -7.026   6.151
  219   1HG2  VAL  34          1HG2      VAL  34  -0.957  -9.590   5.798
  220   2HG2  VAL  34          2HG2      VAL  34   0.205  -9.476   4.490
  221   3HG2  VAL  34          3HG2      VAL  34  -1.381 -10.165   4.194
  222    H    ALA  35           H        ALA  35  -2.497  -6.334   6.653
  223    HA   ALA  35           HA       ALA  35  -2.819  -8.265   8.741
  224   1HB   ALA  35          1HB       ALA  35  -2.153  -6.341  10.212
  225   2HB   ALA  35          2HB       ALA  35  -2.198  -5.298   8.798
  226   3HB   ALA  35          3HB       ALA  35  -1.046  -6.610   8.876
  227    H    GLN  36           H        GLN  36  -5.119  -8.331   7.628
  228    HA   GLN  36           HA       GLN  36  -7.381  -8.370   7.981
  229   1HB   GLN  36          2HB       GLN  36  -6.788  -6.952  10.629
  230   2HB   GLN  36          1HB       GLN  36  -8.293  -7.716  10.178
  231   1HG   GLN  36          2HG       GLN  36  -7.168  -9.920   9.984
  232   2HG   GLN  36          1HG       GLN  36  -5.625  -9.182  10.397
  233   1HE2  GLN  36          1HE2      GLN  36  -8.685 -10.291  11.690
  234   2HE2  GLN  36          2HE2      GLN  36  -8.307 -10.029  13.324
  235    H    ARG  37           H        ARG  37  -6.647  -5.292   9.566
  236    HA   ARG  37           HA       ARG  37  -8.380  -3.886   7.567
  237   1HB   ARG  37          2HB       ARG  37  -7.958  -3.192  10.506
  238   2HB   ARG  37          1HB       ARG  37  -9.037  -2.369   9.400
  239   1HG   ARG  37          2HG       ARG  37  -9.306  -5.265  10.328
  240   2HG   ARG  37          1HG       ARG  37 -10.299  -3.921  10.847
  241   1HD   ARG  37          2HD       ARG  37 -11.124  -3.616   8.515
  242   2HD   ARG  37          1HD       ARG  37 -10.152  -4.994   7.997
  243    HE   ARG  37           HE       ARG  37 -11.726  -5.887  10.149
  244   1HH1  ARG  37          2HH1      ARG  37 -12.106  -4.652   6.933
  245   2HH1  ARG  37          1HH1      ARG  37 -13.571  -5.528   6.642
  246   1HH2  ARG  37          1HH2      ARG  37 -13.583  -7.013   9.803
  247   2HH2  ARG  37          2HH2      ARG  37 -14.420  -6.885   8.293
  248    H    ARG  38           H        ARG  38  -5.306  -4.256   8.787
  249    HA   ARG  38           HA       ARG  38  -4.427  -1.518   8.078
  250   1HB   ARG  38          2HB       ARG  38  -3.143  -3.767   9.662
  251   2HB   ARG  38          1HB       ARG  38  -2.381  -2.232   9.329
  252   1HG   ARG  38          2HG       ARG  38  -4.260  -1.092  10.557
  253   2HG   ARG  38          1HG       ARG  38  -5.000  -2.657  10.857
  254   1HD   ARG  38          2HD       ARG  38  -2.971  -3.376  12.118
  255   2HD   ARG  38          1HD       ARG  38  -2.246  -1.790  11.845
  256    HE   ARG  38           HE       ARG  38  -4.786  -1.351  12.996
  257   1HH1  ARG  38          2HH1      ARG  38  -1.752  -2.819  13.791
  258   2HH1  ARG  38          1HH1      ARG  38  -1.913  -2.511  15.487
  259   1HH2  ARG  38          1HH2      ARG  38  -5.017  -0.947  15.139
  260   2HH2  ARG  38          2HH2      ARG  38  -3.793  -1.432  16.265
  261    H    CYS  39           H        CYS  39  -3.412  -1.256   6.252
  262    HA   CYS  39           HA       CYS  39  -2.665  -3.579   4.575
  263   1HB   CYS  39          2HB       CYS  39  -2.504  -1.885   2.772
  264   2HB   CYS  39          1HB       CYS  39  -4.064  -1.851   3.560
  265    H    GLU  40           H        GLU  40  -0.760  -3.571   3.361
  266    HA   GLU  40           HA       GLU  40   1.510  -1.925   4.129
  267   1HB   GLU  40          2HB       GLU  40   1.363  -3.574   6.015
  268   2HB   GLU  40          1HB       GLU  40   1.533  -4.874   4.847
  269   1HG   GLU  40          2HG       GLU  40   3.727  -3.931   4.123
  270   2HG   GLU  40          1HG       GLU  40   3.542  -2.619   5.269
  271    H    ASP  41           H        ASP  41   3.227  -2.147   2.723
  272    HA   ASP  41           HA       ASP  41   2.696  -3.600   0.204
  273   1HB   ASP  41          2HB       ASP  41   3.121  -1.260   0.066
  274   2HB   ASP  41          1HB       ASP  41   4.632  -1.372   0.943
  275    H    ILE  42           H        ILE  42   4.556  -4.539  -0.850
  276    HA   ILE  42           HA       ILE  42   5.848  -6.403   0.840
  277    HB   ILE  42           HB       ILE  42   5.340  -6.907  -1.553
  278   1HG1  ILE  42          2HG1      ILE  42   8.354  -6.911  -1.009
  279   2HG1  ILE  42          1HG1      ILE  42   7.229  -8.120  -0.424
  280   1HG2  ILE  42          1HG2      ILE  42   7.459  -4.790  -2.215
  281   2HG2  ILE  42          2HG2      ILE  42   5.734  -4.622  -2.475
  282   3HG2  ILE  42          3HG2      ILE  42   6.640  -5.803  -3.385
  283   1HD1  ILE  42          1HD1      ILE  42   6.679  -8.736  -2.773
  284   2HD1  ILE  42          2HD1      ILE  42   8.396  -8.911  -2.449
  285   3HD1  ILE  42          3HD1      ILE  42   7.817  -7.534  -3.362
  286    H    ASP  43           H        ASP  43   8.042  -6.411   1.558
  287    HA   ASP  43           HA       ASP  43   9.334  -3.732   1.592
  288   1HB   ASP  43          2HB       ASP  43   9.072  -5.100   3.726
  289   2HB   ASP  43          1HB       ASP  43  10.127  -6.318   3.036
  290    H    GLU  44           H        GLU  44  10.362  -3.495  -0.346
  291    HA   GLU  44           HA       GLU  44  11.549  -5.780  -1.688
  292   1HB   GLU  44          2HB       GLU  44  12.232  -4.027  -3.378
  293   2HB   GLU  44          1HB       GLU  44  10.524  -4.190  -3.100
  294   1HG   GLU  44          2HG       GLU  44  12.217  -2.071  -1.778
  295   2HG   GLU  44          1HG       GLU  44  11.421  -1.842  -3.323
  296    H    CYS  45           H        CYS  45  12.753  -3.905   0.867
  297    HA   CYS  45           HA       CYS  45  15.437  -3.735  -0.081
  298   1HB   CYS  45          2HB       CYS  45  14.204  -3.344   2.640
  299   2HB   CYS  45          1HB       CYS  45  15.904  -3.395   2.444
  300    H    GLN  46           H        GLN  46  13.984  -5.408   2.631
  301    HA   GLN  46           HA       GLN  46  15.874  -7.185   3.438
  302   1HB   GLN  46          2HB       GLN  46  12.886  -7.671   3.139
  303   2HB   GLN  46          1HB       GLN  46  13.953  -8.641   4.128
  304   1HG   GLN  46          2HG       GLN  46  14.513  -6.642   5.507
  305   2HG   GLN  46          1HG       GLN  46  13.457  -5.649   4.516
  306   1HE2  GLN  46          1HE2      GLN  46  13.544  -8.089   7.033
  307   2HE2  GLN  46          2HE2      GLN  46  11.877  -8.086   7.358
  308    H    ASP  47           H        ASP  47  13.642  -7.648   0.777
  309    HA   ASP  47           HA       ASP  47  14.626 -10.229   0.086
  310   1HB   ASP  47          2HB       ASP  47  12.287  -9.638  -0.383
  311   2HB   ASP  47          1HB       ASP  47  12.805  -8.318  -1.418
  312    HA   PRO  48           HA       PRO  48  18.103  -8.653  -2.280
  313   1HB   PRO  48          2HB       PRO  48  17.923 -11.156  -3.914
  314   2HB   PRO  48          1HB       PRO  48  19.237 -10.570  -2.925
  315   1HG   PRO  48          2HG       PRO  48  17.715 -12.642  -2.174
  316   2HG   PRO  48          1HG       PRO  48  18.429 -11.516  -1.008
  317   1HD   PRO  48          2HD       PRO  48  15.608 -11.703  -1.975
  318   2HD   PRO  48          1HD       PRO  48  16.258 -11.308  -0.371
  319    H    ASP  49           H        ASP  49  16.900  -7.026  -3.153
  320    HA   ASP  49           HA       ASP  49  16.289  -7.241  -6.036
  321   1HB   ASP  49          2HB       ASP  49  14.120  -7.534  -4.899
  322   2HB   ASP  49          1HB       ASP  49  14.432  -6.133  -3.893
  323    H    THR  50           H        THR  50  17.027  -5.412  -3.181
  324    HA   THR  50           HA       THR  50  17.492  -2.900  -4.584
  325    HB   THR  50           HB       THR  50  16.416  -2.905  -2.354
  326    HG1  THR  50           1HG      THR  50  18.041  -1.320  -2.922
  327   1HG2  THR  50          1HG2      THR  50  17.344  -5.034  -1.407
  328   2HG2  THR  50          2HG2      THR  50  17.556  -3.691  -0.307
  329   3HG2  THR  50          3HG2      THR  50  18.914  -4.301  -1.209
  330    H    CYS  51           H        CYS  51  19.761  -3.245  -2.242
  331    HA   CYS  51           HA       CYS  51  21.931  -3.839  -4.176
  332   1HB   CYS  51          2HB       CYS  51  21.764  -2.244  -1.616
  333   2HB   CYS  51          1HB       CYS  51  23.270  -2.592  -2.413
  334    H    SER  52           H        SER  52  23.961  -4.772  -2.954
  335    HA   SER  52           HA       SER  52  23.439  -7.402  -2.263
  336   1HB   SER  52          2HB       SER  52  25.810  -7.448  -1.514
  337   2HB   SER  52          1HB       SER  52  25.650  -6.506  -2.998
  338    HG   SER  52           HG       SER  52  26.788  -5.316  -1.474
  339    H    GLN  53           H        GLN  53  24.097  -4.778  -0.004
  340    HA   GLN  53           HA       GLN  53  23.142  -6.548   2.213
  341   1HB   GLN  53          2HB       GLN  53  25.215  -4.338   2.289
  342   2HB   GLN  53          1HB       GLN  53  24.645  -5.248   3.682
  343   1HG   GLN  53          2HG       GLN  53  25.966  -6.482   1.246
  344   2HG   GLN  53          1HG       GLN  53  26.808  -6.134   2.747
  345   1HE2  GLN  53          1HE2      GLN  53  24.880  -8.464   1.104
  346   2HE2  GLN  53          2HE2      GLN  53  24.627  -9.511   2.416
  347    H    LEU  54           H        LEU  54  23.786  -3.300   3.127
  348    HA   LEU  54           HA       LEU  54  21.190  -2.998   4.129
  349   1HB   LEU  54          2HB       LEU  54  23.211  -0.870   3.553
  350   2HB   LEU  54          1HB       LEU  54  21.745  -0.690   4.504
  351    HG   LEU  54           HG       LEU  54  24.205  -2.243   5.249
  352   1HD1  LEU  54          1HD1      LEU  54  24.094   0.263   5.511
  353   2HD1  LEU  54          2HD1      LEU  54  24.086  -0.538   7.083
  354   3HD1  LEU  54          3HD1      LEU  54  22.594   0.082   6.388
  355   1HD2  LEU  54          1HD2      LEU  54  22.126  -3.488   5.903
  356   2HD2  LEU  54          2HD2      LEU  54  21.524  -2.013   6.659
  357   3HD2  LEU  54          3HD2      LEU  54  22.967  -2.807   7.292
  358    H    CYS  55           H        CYS  55  19.838  -1.530   4.002
  359    HA   CYS  55           HA       CYS  55  19.268   0.144   1.695
  360   1HB   CYS  55          2HB       CYS  55  18.702  -2.150   0.888
  361   2HB   CYS  55          1HB       CYS  55  17.657  -2.375   2.235
  362    H    VAL  56           H        VAL  56  16.731   0.731   2.025
  363    HA   VAL  56           HA       VAL  56  15.916   0.897   4.825
  364    HB   VAL  56           HB       VAL  56  17.555   2.778   4.702
  365   1HG1  VAL  56          1HG1      VAL  56  17.259   4.708   3.218
  366   2HG1  VAL  56          2HG1      VAL  56  15.928   3.935   2.395
  367   3HG1  VAL  56          3HG1      VAL  56  17.543   3.256   2.284
  368   1HG2  VAL  56          1HG2      VAL  56  16.036   4.635   5.365
  369   2HG2  VAL  56          2HG2      VAL  56  15.549   3.107   6.075
  370   3HG2  VAL  56          3HG2      VAL  56  14.672   3.754   4.698
  371    H    ASN  57           H        ASN  57  14.065   0.070   4.426
  372    HA   ASN  57           HA       ASN  57  12.491   0.636   2.026
  373   1HB   ASN  57          2HB       ASN  57  12.619  -1.676   3.002
  374   2HB   ASN  57          1HB       ASN  57  11.829  -1.069   4.449
  375   1HD2  ASN  57          1HD2      ASN  57   9.790  -2.053   4.356
  376   2HD2  ASN  57          2HD2      ASN  57   8.732  -1.919   3.036
  377    H    LEU  58           H        LEU  58  10.362   1.146   2.109
  378    HA   LEU  58           HA       LEU  58   8.883   2.434   4.216
  379   1HB   LEU  58          2HB       LEU  58   8.960   4.771   3.441
  380   2HB   LEU  58          1HB       LEU  58  10.545   4.263   3.907
  381    HG   LEU  58           HG       LEU  58   9.724   4.249   0.964
  382   1HD1  LEU  58          1HD1      LEU  58  10.871   6.446   0.826
  383   2HD1  LEU  58          2HD1      LEU  58  11.148   6.441   2.563
  384   3HD1  LEU  58          3HD1      LEU  58   9.514   6.566   1.931
  385   1HD2  LEU  58          1HD2      LEU  58  12.190   4.373   0.692
  386   2HD2  LEU  58          2HD2      LEU  58  11.781   2.955   1.616
  387   3HD2  LEU  58          3HD2      LEU  58  12.406   4.381   2.424
  388    H    GLU  59           H        GLU  59   7.674   4.223   2.379
  389    HA   GLU  59           HA       GLU  59   5.791   2.408   1.163
  390   1HB   GLU  59          2HB       GLU  59   5.163   4.701   2.170
  391   2HB   GLU  59          1HB       GLU  59   6.036   5.462   0.856
  392   1HG   GLU  59          2HG       GLU  59   4.387   4.414  -0.790
  393   2HG   GLU  59          1HG       GLU  59   3.540   3.715   0.571
  394    H    GLY  60           H        GLY  60   7.070   1.244   0.088
  395   1HA   GLY  60          2HA       GLY  60   7.837   0.313  -1.789
  396   2HA   GLY  60          1HA       GLY  60   6.790   1.452  -2.620
  397    H    GLY  61           H        GLY  61   8.668   3.419  -0.983
  398   1HA   GLY  61          2HA       GLY  61  10.442   4.046  -3.245
  399   2HA   GLY  61          1HA       GLY  61  10.182   5.033  -1.818
  400    H    TYR  62           H        TYR  62  11.124   1.785  -1.416
  401    HA   TYR  62           HA       TYR  62  13.214   2.048   0.296
  402   1HB   TYR  62          2HB       TYR  62  14.137  -0.053  -0.383
  403   2HB   TYR  62          1HB       TYR  62  12.407  -0.163  -0.570
  404    HD1  TYR  62           1HD      TYR  62  11.759   0.949  -3.195
  405    HD2  TYR  62           2HD      TYR  62  15.272  -1.149  -2.015
  406    HE1  TYR  62           1HE      TYR  62  12.174   0.324  -5.515
  407    HE2  TYR  62           2HE      TYR  62  15.678  -1.774  -4.340
  408    HH   TYR  62           HH       TYR  62  13.934  -2.057  -6.491
  409    H    LYS  63           H        LYS  63  15.354   2.577   0.408
  410    HA   LYS  63           HA       LYS  63  16.763   3.262  -2.113
  411   1HB   LYS  63          2HB       LYS  63  17.014   4.620   0.573
  412   2HB   LYS  63          1HB       LYS  63  17.775   5.035  -0.914
  413   1HG   LYS  63          2HG       LYS  63  15.602   5.580  -1.978
  414   2HG   LYS  63          1HG       LYS  63  14.771   5.105  -0.507
  415   1HD   LYS  63          2HD       LYS  63  15.895   6.917   0.754
  416   2HD   LYS  63          1HD       LYS  63  16.751   7.406  -0.699
  417   1HE   LYS  63          2HE       LYS  63  14.731   8.817  -0.337
  418   2HE   LYS  63          1HE       LYS  63  14.579   7.892  -1.821
  419   1HZ   LYS  63          1HZ       LYS  63  12.588   7.909  -0.357
  420   2HZ   LYS  63          2HZ       LYS  63  13.467   6.993   0.771
  421   3HZ   LYS  63          3HZ       LYS  63  13.149   6.361  -0.772
  422    H    CYS  64           H        CYS  64  19.063   3.009  -1.877
  423    HA   CYS  64           HA       CYS  64  19.776   0.702  -0.200
  424   1HB   CYS  64          2HB       CYS  64  21.178   2.070  -2.451
  425   2HB   CYS  64          1HB       CYS  64  21.879   0.790  -1.543
  426    H    GLN  65           H        GLN  65  21.790   0.543   0.681
  427    HA   GLN  65           HA       GLN  65  23.381   2.859   1.574
  428   1HB   GLN  65          2HB       GLN  65  22.328   0.954   3.680
  429   2HB   GLN  65          1HB       GLN  65  23.158   2.444   3.911
  430   1HG   GLN  65          2HG       GLN  65  21.270   3.785   3.115
  431   2HG   GLN  65          1HG       GLN  65  20.327   2.326   2.823
  432   1HE2  GLN  65          1HE2      GLN  65  20.474   0.781   4.963
  433   2HE2  GLN  65          2HE2      GLN  65  20.073   1.597   6.396
  434    H    CYS  66           H        CYS  66  25.058   1.488   3.256
  435    HA   CYS  66           HA       CYS  66  25.782  -1.005   1.827
  436   1HB   CYS  66          2HB       CYS  66  27.712   1.108   2.687
  437   2HB   CYS  66          1HB       CYS  66  27.987  -0.316   1.863
  438    H    GLU  67           H        GLU  67  27.141  -2.391   2.876
  439    HA   GLU  67           HA       GLU  67  26.737  -2.521   5.802
  440   1HB   GLU  67          2HB       GLU  67  26.453  -4.494   4.234
  441   2HB   GLU  67          1HB       GLU  67  28.168  -4.491   3.939
  442   1HG   GLU  67          2HG       GLU  67  26.792  -4.976   6.625
  443   2HG   GLU  67          1HG       GLU  67  27.528  -6.201   5.621
  444    H    GLU  68           H        GLU  68  28.017  -0.638   6.161
  445    HA   GLU  68           HA       GLU  68  29.905   0.583   6.671
  446   1HB   GLU  68          2HB       GLU  68  30.818  -2.221   7.441
  447   2HB   GLU  68          1HB       GLU  68  31.597  -0.756   7.988
  448   1HG   GLU  68          2HG       GLU  68  28.687  -1.547   8.524
  449   2HG   GLU  68          1HG       GLU  68  29.994  -1.613   9.689
  450    H    GLY  69           H        GLY  69  31.694  -2.261   5.726
  451   1HA   GLY  69          2HA       GLY  69  33.812  -0.896   4.502
  452   2HA   GLY  69          1HA       GLY  69  33.500  -2.614   4.352
  453    H    PHE  70           H        PHE  70  30.751  -1.961   3.191
  454    HA   PHE  70           HA       PHE  70  31.608  -1.996   0.495
  455   1HB   PHE  70          2HB       PHE  70  28.935  -1.895   1.826
  456   2HB   PHE  70          1HB       PHE  70  29.063  -1.920   0.075
  457    HD1  PHE  70           1HD      PHE  70  27.716  -3.949   0.027
  458    HD2  PHE  70           2HD      PHE  70  31.409  -3.920   2.150
  459    HE1  PHE  70           1HE      PHE  70  27.697  -6.405   0.141
  460    HE2  PHE  70           2HE      PHE  70  31.370  -6.354   2.267
  461    HZ   PHE  70           HZ       PHE  70  29.514  -7.608   1.257
  462    H    GLN  71           H        GLN  71  30.989  -0.525  -1.134
  463    HA   GLN  71           HA       GLN  71  30.327   2.209  -0.354
  464   1HB   GLN  71          2HB       GLN  71  32.768   1.148  -1.704
  465   2HB   GLN  71          1HB       GLN  71  32.174   2.667  -2.280
  466   1HG   GLN  71          2HG       GLN  71  32.829   2.030   0.648
  467   2HG   GLN  71          1HG       GLN  71  33.857   2.971  -0.431
  468   1HE2  GLN  71          1HE2      GLN  71  32.742   4.102   1.955
  469   2HE2  GLN  71          2HE2      GLN  71  31.632   5.308   1.511
  470    H    LEU  72           H        LEU  72  30.267   3.576  -2.327
  471    HA   LEU  72           HA       LEU  72  28.063   2.506  -3.942
  472   1HB   LEU  72          2HB       LEU  72  28.102   4.865  -3.130
  473   2HB   LEU  72          1HB       LEU  72  29.491   5.181  -4.150
  474    HG   LEU  72           HG       LEU  72  28.095   4.463  -6.154
  475   1HD1  LEU  72          1HD1      LEU  72  25.636   4.384  -5.896
  476   2HD1  LEU  72          2HD1      LEU  72  25.802   4.525  -4.157
  477   3HD1  LEU  72          3HD1      LEU  72  26.394   3.095  -4.985
  478   1HD2  LEU  72          1HD2      LEU  72  28.380   6.863  -5.573
  479   2HD2  LEU  72          2HD2      LEU  72  26.989   6.774  -4.499
  480   3HD2  LEU  72          3HD2      LEU  72  26.777   6.575  -6.234
  481    H    ASP  73           H        ASP  73  28.686   1.059  -5.331
  482    HA   ASP  73           HA       ASP  73  31.132   1.160  -6.904
  483   1HB   ASP  73          2HB       ASP  73  30.071  -0.968  -6.183
  484   2HB   ASP  73          1HB       ASP  73  28.675  -0.648  -7.196
  485    HA   PRO  74           HA       PRO  74  29.236   3.677 -10.093
  486   1HB   PRO  74          2HB       PRO  74  31.181   3.665 -11.931
  487   2HB   PRO  74          1HB       PRO  74  31.427   4.439 -10.383
  488   1HG   PRO  74          2HG       PRO  74  32.298   1.707 -11.239
  489   2HG   PRO  74          1HG       PRO  74  33.217   2.973 -10.406
  490   1HD   PRO  74          2HD       PRO  74  32.066   0.882  -9.107
  491   2HD   PRO  74          1HD       PRO  74  32.314   2.469  -8.355
  492    H    HIS  75           H        HIS  75  28.595   3.565 -12.308
  493    HA   HIS  75           HA       HIS  75  27.491   2.588 -14.115
  494   1HB   HIS  75          2HB       HIS  75  29.380   0.239 -13.605
  495   2HB   HIS  75          1HB       HIS  75  28.468   0.536 -15.073
  496    HD1  HIS  75           1HD      HIS  75  31.336   1.915 -13.174
  497    HD2  HIS  75           2HD      HIS  75  29.531   2.521 -16.785
  498    HE1  HIS  75           1HE      HIS  75  32.838   3.392 -14.461
  499    H    THR  76           H        THR  76  27.198   1.568 -11.114
  500    HA   THR  76           HA       THR  76  24.860  -0.188 -11.647
  501    HB   THR  76           HB       THR  76  25.558  -1.587  -9.631
  502    HG1  THR  76           1HG      THR  76  27.936  -0.099  -9.942
  503   1HG2  THR  76          1HG2      THR  76  27.485  -2.777 -10.695
  504   2HG2  THR  76          2HG2      THR  76  27.836  -1.387 -11.707
  505   3HG2  THR  76          3HG2      THR  76  26.382  -2.333 -11.988
  506    H    LYS  77           H        LYS  77  26.663   1.774  -9.507
  507    HA   LYS  77           HA       LYS  77  26.110   3.298  -7.821
  508   1HB   LYS  77          2HB       LYS  77  23.435   3.055  -9.000
  509   2HB   LYS  77          1HB       LYS  77  23.887   4.306  -7.873
  510   1HG   LYS  77          2HG       LYS  77  25.690   5.048  -9.458
  511   2HG   LYS  77          1HG       LYS  77  25.160   3.840 -10.616
  512   1HD   LYS  77          2HD       LYS  77  22.931   4.921 -10.749
  513   2HD   LYS  77          1HD       LYS  77  23.435   6.124  -9.572
  514   1HE   LYS  77          2HE       LYS  77  25.248   6.868 -11.122
  515   2HE   LYS  77          1HE       LYS  77  24.730   5.670 -12.301
  516   1HZ   LYS  77          1HZ       LYS  77  22.598   6.746 -12.436
  517   2HZ   LYS  77          2HZ       LYS  77  23.839   7.856 -12.767
  518   3HZ   LYS  77          3HZ       LYS  77  23.057   7.881 -11.260
  519    H    ALA  78           H        ALA  78  25.776   0.315  -7.660
  520    HA   ALA  78           HA       ALA  78  23.907   0.027  -5.361
  521   1HB   ALA  78          1HB       ALA  78  24.165  -2.407  -5.794
  522   2HB   ALA  78          2HB       ALA  78  25.330  -2.053  -7.062
  523   3HB   ALA  78          3HB       ALA  78  23.653  -1.565  -7.252
  524    H    CYS  79           H        CYS  79  24.644  -0.974  -3.445
  525    HA   CYS  79           HA       CYS  79  27.405  -0.312  -2.792
  526   1HB   CYS  79          2HB       CYS  79  25.149  -1.348  -1.151
  527   2HB   CYS  79          1HB       CYS  79  26.750  -1.192  -0.503
  528    H    LYS  80           H        LYS  80  29.047  -1.560  -2.438
  529    HA   LYS  80           HA       LYS  80  28.844  -4.388  -1.789
  530   1HB   LYS  80          2HB       LYS  80  30.076  -5.164  -3.603
  531   2HB   LYS  80          1HB       LYS  80  28.486  -4.641  -4.103
  532   1HG   LYS  80          2HG       LYS  80  29.810  -3.834  -5.887
  533   2HG   LYS  80          1HG       LYS  80  29.545  -2.445  -4.872
  534   1HD   LYS  80          2HD       LYS  80  31.848  -2.492  -5.704
  535   2HD   LYS  80          1HD       LYS  80  31.877  -2.634  -3.974
  536   1HE   LYS  80          2HE       LYS  80  32.160  -5.111  -4.188
  537   2HE   LYS  80          1HE       LYS  80  32.051  -4.969  -5.938
  538   1HZ   LYS  80          1HZ       LYS  80  34.152  -4.344  -6.066
  539   2HZ   LYS  80          2HZ       LYS  80  34.311  -4.852  -4.452
  540   3HZ   LYS  80          3HZ       LYS  80  34.004  -3.220  -4.802
  541    H    ALA  81           H        ALA  81  30.974  -5.309  -1.322
  542    HA   ALA  81           HA       ALA  81  32.662  -3.964   0.325
  543   1HB   ALA  81          1HB       ALA  81  32.826  -6.368  -0.109
  544   2HB   ALA  81          2HB       ALA  81  34.413  -5.631  -0.257
  545   3HB   ALA  81          3HB       ALA  81  33.504  -6.062  -1.701
  546    H    VAL  82           H        VAL  82  33.672  -2.077   0.156
  547    HA   VAL  82           HA       VAL  82  34.309  -0.631  -2.090
  548    HB   VAL  82           HB       VAL  82  34.426   0.249   0.225
  549   1HG1  VAL  82          1HG1      VAL  82  35.583  -1.701   1.305
  550   2HG1  VAL  82          2HG1      VAL  82  36.414  -0.196   1.649
  551   3HG1  VAL  82          3HG1      VAL  82  37.054  -1.302   0.447
  552   1HG2  VAL  82          1HG2      VAL  82  35.557   1.535  -1.551
  553   2HG2  VAL  82          2HG2      VAL  82  37.041   0.633  -1.290
  554   3HG2  VAL  82          3HG2      VAL  82  36.423   1.689  -0.032